HEADER BLOOD COAGULATION INHIBITOR 31-OCT-94 1TCP
TITLE NMR STRUCTURE DETERMINATION OF TICK ANTICOAGULANT PEPTIDE (TAP)
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TICK ANTICOAGULANT PEPTIDE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ORNITHODOROS MOUBATA;
SOURCE 3 ORGANISM_TAXID: 6938;
SOURCE 4 CELL_LINE: PICHIA PASTORIS;
SOURCE 5 ORGAN: BLOOD;
SOURCE 6 EXPRESSION_SYSTEM: PICHIA PASTORIS;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4922
KEYWDS FACTOR XA SERINE PROTEASE INHIBITOR, BLOOD COAGULATION INHIBITOR
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR T.K.BRUNCK,M.S.L.LIM-WILBY
REVDAT 3 29-NOV-17 1TCP 1 REMARK HELIX
REVDAT 2 24-FEB-09 1TCP 1 VERSN
REVDAT 1 31-OCT-95 1TCP 0
JRNL AUTH M.S.LIM-WILBY,K.HALLENGA,M.DE MAEYER,I.LASTERS,G.P.VLASUK,
JRNL AUTH 2 T.K.BRUNCK
JRNL TITL NMR STRUCTURE DETERMINATION OF TICK ANTICOAGULANT PEPTIDE
JRNL TITL 2 (TAP).
JRNL REF PROTEIN SCI. V. 4 178 1995
JRNL REFN ISSN 0961-8368
JRNL PMID 7538849
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH M.SARDANA,V.SARDANA,J.RODKEY,T.WOOD,A.NG,G.P.VLASUK,J.WAXMAN
REMARK 1 TITL DETERMINATION OF DISULFIDE BOND PAIRS AND STABILITY IN
REMARK 1 TITL 2 RECOMBINANT TICK ANTICOAGULANT PEPTIDE
REMARK 1 REF J.MOL.BIOL. V. 232 947 1993
REMARK 1 REFN ISSN 0022-2836
REMARK 1 REFERENCE 2
REMARK 1 AUTH L.WAXMAN,D.E.SMITH,K.E.ARCURI,G.P.VLASUK
REMARK 1 TITL TICK ANTICOAGULANT PEPTIDE (TAP) IS A NOVEL INHIBITOR OF
REMARK 1 TITL 2 BLOOD COAGULATION FACTOR XA
REMARK 1 REF SCIENCE V. 248 593 1990
REMARK 1 REFN ISSN 0036-8075
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DISCOVER
REMARK 3 AUTHORS : BIOSYM
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1TCP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000176620.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 GLU A 14 CD GLU A 14 OE2 0.111
REMARK 500 1 GLU A 19 CD GLU A 19 OE2 0.109
REMARK 500 1 GLU A 22 CD GLU A 22 OE1 0.110
REMARK 500 1 GLU A 41 CD GLU A 41 OE2 0.111
REMARK 500 1 HIS A 43 CG HIS A 43 CD2 0.055
REMARK 500 1 ILE A 60 C ILE A 60 OXT 0.145
REMARK 500 2 GLU A 14 CD GLU A 14 OE2 0.109
REMARK 500 2 GLU A 19 CD GLU A 19 OE2 0.110
REMARK 500 2 GLU A 22 CD GLU A 22 OE1 0.111
REMARK 500 2 GLU A 41 CD GLU A 41 OE2 0.111
REMARK 500 2 HIS A 43 CG HIS A 43 CD2 0.059
REMARK 500 2 ILE A 60 C ILE A 60 OXT 0.148
REMARK 500 3 GLU A 14 CD GLU A 14 OE1 0.110
REMARK 500 3 GLU A 19 CD GLU A 19 OE2 0.111
REMARK 500 3 GLU A 22 CD GLU A 22 OE2 0.110
REMARK 500 3 GLU A 41 CD GLU A 41 OE1 0.109
REMARK 500 3 HIS A 43 CG HIS A 43 CD2 0.056
REMARK 500 3 ILE A 60 C ILE A 60 OXT 0.145
REMARK 500 4 GLU A 14 CD GLU A 14 OE1 0.110
REMARK 500 4 GLU A 19 CD GLU A 19 OE2 0.111
REMARK 500 4 GLU A 22 CD GLU A 22 OE1 0.111
REMARK 500 4 GLU A 41 CD GLU A 41 OE2 0.109
REMARK 500 4 ILE A 60 C ILE A 60 OXT 0.147
REMARK 500 5 GLU A 14 CD GLU A 14 OE1 0.110
REMARK 500 5 GLU A 19 CD GLU A 19 OE2 0.109
REMARK 500 5 GLU A 22 CD GLU A 22 OE1 0.111
REMARK 500 5 GLU A 41 CD GLU A 41 OE2 0.112
REMARK 500 5 HIS A 43 CG HIS A 43 CD2 0.057
REMARK 500 5 ILE A 60 C ILE A 60 OXT 0.144
REMARK 500 6 GLU A 14 CD GLU A 14 OE2 0.115
REMARK 500 6 GLU A 19 CD GLU A 19 OE1 0.110
REMARK 500 6 GLU A 22 CD GLU A 22 OE2 0.109
REMARK 500 6 GLU A 41 CD GLU A 41 OE2 0.107
REMARK 500 6 HIS A 43 CG HIS A 43 CD2 0.057
REMARK 500 6 ILE A 60 C ILE A 60 OXT 0.147
REMARK 500 7 GLU A 14 CD GLU A 14 OE2 0.109
REMARK 500 7 GLU A 19 CD GLU A 19 OE1 0.113
REMARK 500 7 GLU A 22 CD GLU A 22 OE2 0.111
REMARK 500 7 GLU A 41 CD GLU A 41 OE2 0.111
REMARK 500 7 HIS A 43 CG HIS A 43 CD2 0.056
REMARK 500 7 ILE A 60 C ILE A 60 OXT 0.144
REMARK 500 8 GLU A 14 CD GLU A 14 OE1 0.110
REMARK 500 8 GLU A 19 CD GLU A 19 OE2 0.110
REMARK 500 8 GLU A 22 CD GLU A 22 OE1 0.117
REMARK 500 8 GLU A 41 CD GLU A 41 OE1 0.107
REMARK 500 8 HIS A 43 CG HIS A 43 CD2 0.056
REMARK 500 8 ILE A 60 C ILE A 60 OXT 0.147
REMARK 500 9 GLU A 14 CD GLU A 14 OE2 0.111
REMARK 500 9 GLU A 19 CD GLU A 19 OE2 0.110
REMARK 500 9 GLU A 22 CD GLU A 22 OE2 0.112
REMARK 500
REMARK 500 THIS ENTRY HAS 59 BOND DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 1 ASP A 10 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 1 TRP A 11 CD1 - NE1 - CE2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 1 ASP A 13 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 1 ASP A 13 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 1 ASP A 16 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 1 ASP A 16 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 1 ARG A 23 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 1 ARG A 27 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 ASP A 34 CB - CG - OD1 ANGL. DEV. = -6.2 DEGREES
REMARK 500 1 ASP A 34 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES
REMARK 500 1 CYS A 39 N - CA - CB ANGL. DEV. = 10.0 DEGREES
REMARK 500 1 ASP A 42 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 1 HIS A 43 ND1 - CE1 - NE2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 1 ASP A 47 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES
REMARK 500 1 ASP A 47 CB - CG - OD2 ANGL. DEV. = -6.4 DEGREES
REMARK 500 1 TYR A 48 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 1 ARG A 53 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES
REMARK 500 1 ASP A 54 CB - CG - OD1 ANGL. DEV. = -5.9 DEGREES
REMARK 500 2 ASP A 10 CB - CG - OD1 ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 ASP A 13 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 ASP A 16 CB - CG - OD1 ANGL. DEV. = -6.2 DEGREES
REMARK 500 2 ASP A 16 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES
REMARK 500 2 ARG A 27 NE - CZ - NH1 ANGL. DEV. = 3.4 DEGREES
REMARK 500 2 ASP A 34 CB - CG - OD1 ANGL. DEV. = -6.1 DEGREES
REMARK 500 2 TRP A 37 CD1 - NE1 - CE2 ANGL. DEV. = -5.4 DEGREES
REMARK 500 2 ASP A 42 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 2 ASP A 42 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES
REMARK 500 2 HIS A 43 ND1 - CE1 - NE2 ANGL. DEV. = 7.8 DEGREES
REMARK 500 2 ASP A 47 CB - CG - OD1 ANGL. DEV. = -6.0 DEGREES
REMARK 500 2 ASP A 54 CB - CG - OD1 ANGL. DEV. = -6.0 DEGREES
REMARK 500 3 ASP A 10 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 3 ASP A 13 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES
REMARK 500 3 ASP A 13 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 3 ASP A 16 CB - CG - OD1 ANGL. DEV. = -6.7 DEGREES
REMARK 500 3 ASP A 16 CB - CG - OD2 ANGL. DEV. = 6.0 DEGREES
REMARK 500 3 ASP A 34 CB - CG - OD1 ANGL. DEV. = -6.1 DEGREES
REMARK 500 3 ASP A 34 CB - CG - OD2 ANGL. DEV. = 5.5 DEGREES
REMARK 500 3 ASP A 42 CB - CG - OD1 ANGL. DEV. = -6.1 DEGREES
REMARK 500 3 ASP A 42 CB - CG - OD2 ANGL. DEV. = 5.8 DEGREES
REMARK 500 3 ASP A 47 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 3 ASP A 47 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 3 ASP A 54 CB - CG - OD1 ANGL. DEV. = 5.5 DEGREES
REMARK 500 3 ASP A 54 CB - CG - OD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 4 ARG A 9 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 4 ASP A 10 CB - CG - OD1 ANGL. DEV. = -6.1 DEGREES
REMARK 500 4 ASP A 13 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES
REMARK 500 4 ASP A 16 CB - CG - OD1 ANGL. DEV. = -6.5 DEGREES
REMARK 500 4 ASP A 16 CB - CG - OD2 ANGL. DEV. = 5.7 DEGREES
REMARK 500 4 ARG A 27 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 124 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 LYS A 7 125.77 75.73
REMARK 500 1 ILE A 12 91.66 73.22
REMARK 500 1 ASP A 16 171.53 79.38
REMARK 500 1 CYS A 39 126.81 106.67
REMARK 500 1 THR A 44 -176.04 53.91
REMARK 500 1 ALA A 46 -52.81 -145.15
REMARK 500 1 ASP A 47 100.33 71.73
REMARK 500 1 TYR A 49 69.34 60.91
REMARK 500 1 SER A 50 47.59 -88.79
REMARK 500 2 ASP A 13 -83.27 -127.73
REMARK 500 2 CYS A 15 -34.03 -145.44
REMARK 500 2 ASP A 16 -138.94 54.18
REMARK 500 2 GLU A 19 59.76 -103.65
REMARK 500 2 LYS A 30 -70.28 -77.58
REMARK 500 2 ALA A 46 -151.96 -113.46
REMARK 500 2 TYR A 49 96.51 68.34
REMARK 500 3 CYS A 5 27.51 -79.09
REMARK 500 3 ASP A 13 -70.63 -81.91
REMARK 500 3 GLU A 14 -66.33 69.13
REMARK 500 3 ASP A 16 -104.99 65.44
REMARK 500 3 ILE A 38 -63.51 -90.90
REMARK 500 3 CYS A 39 169.72 64.72
REMARK 500 3 ASP A 42 -46.47 177.77
REMARK 500 3 HIS A 43 91.71 -69.45
REMARK 500 3 THR A 44 54.00 -94.57
REMARK 500 3 TYR A 49 103.20 62.18
REMARK 500 4 ILE A 12 -122.14 -92.92
REMARK 500 4 ASP A 13 -56.72 -148.57
REMARK 500 4 SER A 17 -94.11 -158.03
REMARK 500 4 ASN A 18 -73.12 -102.51
REMARK 500 4 GLU A 22 129.61 70.97
REMARK 500 4 CYS A 39 134.00 113.22
REMARK 500 4 THR A 44 -23.61 62.63
REMARK 500 4 TYR A 49 104.33 64.74
REMARK 500 5 ARG A 9 95.91 -66.50
REMARK 500 5 TRP A 11 -86.00 -80.30
REMARK 500 5 ILE A 12 80.90 58.43
REMARK 500 5 GLU A 14 58.31 -151.19
REMARK 500 5 CYS A 15 -83.48 -111.66
REMARK 500 5 SER A 17 -94.60 -95.09
REMARK 500 5 ASN A 18 -68.82 -90.32
REMARK 500 5 LYS A 30 -65.07 -140.30
REMARK 500 5 TYR A 49 94.33 63.91
REMARK 500 6 ARG A 3 -124.80 -143.49
REMARK 500 6 ASP A 10 47.47 -75.99
REMARK 500 6 TRP A 11 75.58 -101.09
REMARK 500 6 SER A 17 -74.39 -147.54
REMARK 500 6 ASN A 18 -81.04 -113.26
REMARK 500 6 ASN A 28 40.75 -85.09
REMARK 500 6 CYS A 39 135.40 79.83
REMARK 500
REMARK 500 THIS ENTRY HAS 89 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1TCP A 1 60 UNP P17726 TAP_ORNMO 1 60
SEQRES 1 A 60 TYR ASN ARG LEU CYS ILE LYS PRO ARG ASP TRP ILE ASP
SEQRES 2 A 60 GLU CYS ASP SER ASN GLU GLY GLY GLU ARG ALA TYR PHE
SEQRES 3 A 60 ARG ASN GLY LYS GLY GLY CYS ASP SER PHE TRP ILE CYS
SEQRES 4 A 60 PRO GLU ASP HIS THR GLY ALA ASP TYR TYR SER SER TYR
SEQRES 5 A 60 ARG ASP CYS PHE ASN ALA CYS ILE
HELIX 1 H1 ASN A 2 LYS A 7 5 6
HELIX 2 H2 SER A 51 ILE A 60 1 10
SHEET 1 S1 2 GLU A 22 ASN A 28 0
SHEET 2 S1 2 GLY A 32 ILE A 38 -1 O GLY A 32 N ASN A 28
SSBOND 1 CYS A 5 CYS A 59 1555 1555 1.99
SSBOND 2 CYS A 15 CYS A 39 1555 1555 1.99
SSBOND 3 CYS A 33 CYS A 55 1555 1555 2.00
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
(ATOM LINES ARE NOT SHOWN.)
END
