Header list of 2pni.pdb file
Complete list - v 29 2 Bytes
HEADER PHOSPHOTRANSFERASE 19-JUL-93 2PNI
TITLE SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN OF THE
TITLE 2 P85ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 3-KINASE P85-ALPHA SUBUNIT SH3 DOMAIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: CATTLE;
SOURCE 4 ORGANISM_TAXID: 9913
KEYWDS PHOSPHOTRANSFERASE
EXPDTA SOLUTION NMR
NUMMDL 26
AUTHOR G.W.BOOKER,I.GOUT,A.K.DOWNING,P.C.DRISCOLL,J.BOYD,M.D.WATERFIELD,
AUTHOR 2 I.D.CAMPBELL
REVDAT 3 29-NOV-17 2PNI 1 REMARK HELIX
REVDAT 2 24-FEB-09 2PNI 1 VERSN
REVDAT 1 31-OCT-93 2PNI 0
JRNL AUTH G.W.BOOKER,I.GOUT,A.K.DOWNING,P.C.DRISCOLL,J.BOYD,
JRNL AUTH 2 M.D.WATERFIELD,I.D.CAMPBELL
JRNL TITL SOLUTION STRUCTURE AND LIGAND-BINDING SITE OF THE SH3 DOMAIN
JRNL TITL 2 OF THE P85 ALPHA SUBUNIT OF PHOSPHATIDYLINOSITOL 3-KINASE.
JRNL REF CELL(CAMBRIDGE,MASS.) V. 73 813 1993
JRNL REFN ISSN 0092-8674
JRNL PMID 7684655
JRNL DOI 10.1016/0092-8674(93)90259-S
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2PNI 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_1000178489.
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 : 26
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 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 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.3 DEGREES
REMARK 500 1 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 7.8 DEGREES
REMARK 500 1 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.1 DEGREES
REMARK 500 2 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.5 DEGREES
REMARK 500 2 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 2 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.6 DEGREES
REMARK 500 3 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500 3 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES
REMARK 500 3 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.3 DEGREES
REMARK 500 4 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.5 DEGREES
REMARK 500 4 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 4 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES
REMARK 500 5 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.3 DEGREES
REMARK 500 5 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 5 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.2 DEGREES
REMARK 500 6 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.3 DEGREES
REMARK 500 6 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 6 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.7 DEGREES
REMARK 500 7 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES
REMARK 500 7 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 7 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.5 DEGREES
REMARK 500 7 TRP A 55 NE1 - CE2 - CD2 ANGL. DEV. = -6.0 DEGREES
REMARK 500 8 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.5 DEGREES
REMARK 500 8 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 8 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.3 DEGREES
REMARK 500 9 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500 9 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 9 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.4 DEGREES
REMARK 500 10 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500 10 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.1 DEGREES
REMARK 500 10 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.3 DEGREES
REMARK 500 11 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.2 DEGREES
REMARK 500 11 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 11 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 12 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500 12 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 12 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 13 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.5 DEGREES
REMARK 500 13 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 13 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.5 DEGREES
REMARK 500 14 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.4 DEGREES
REMARK 500 14 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 14 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 7.7 DEGREES
REMARK 500 15 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.6 DEGREES
REMARK 500 15 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.2 DEGREES
REMARK 500 15 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.0 DEGREES
REMARK 500 16 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.3 DEGREES
REMARK 500 16 TRP A 55 CD1 - NE1 - CE2 ANGL. DEV. = 8.4 DEGREES
REMARK 500 16 TRP A 55 NE1 - CE2 - CZ2 ANGL. DEV. = 8.1 DEGREES
REMARK 500 17 TRP A 55 CG - CD1 - NE1 ANGL. DEV. = -7.3 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 80 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 SER A 1B 154.72 60.95
REMARK 500 1 GLU A 4 -71.19 -92.87
REMARK 500 1 ALA A 10 152.48 -45.63
REMARK 500 1 GLU A 17 -25.24 -140.62
REMARK 500 1 VAL A 32 -147.80 -119.59
REMARK 500 1 SER A 36 49.08 -152.29
REMARK 500 1 VAL A 38 -8.81 -46.02
REMARK 500 1 ALA A 39 -36.46 -32.60
REMARK 500 1 ASP A 44 106.65 -177.19
REMARK 500 1 GLN A 46 91.34 46.15
REMARK 500 1 GLU A 47 -14.14 -47.61
REMARK 500 1 THR A 72 16.39 -141.21
REMARK 500 1 VAL A 74 -169.31 -113.98
REMARK 500 1 ILE A 77 -53.50 -122.24
REMARK 500 1 LYS A 81 84.82 -66.91
REMARK 500 2 GLU A 4 40.15 -99.55
REMARK 500 2 VAL A 32 -154.99 -120.37
REMARK 500 2 SER A 36 69.69 -150.88
REMARK 500 2 SER A 43 34.25 -149.71
REMARK 500 2 GLN A 46 -72.15 -67.03
REMARK 500 2 ALA A 48 -22.85 -176.90
REMARK 500 2 ILE A 77 -58.26 -126.20
REMARK 500 3 SER A 2 170.33 59.77
REMARK 500 3 VAL A 32 -150.50 -130.03
REMARK 500 3 SER A 36 58.56 -150.07
REMARK 500 3 VAL A 38 -9.25 -56.85
REMARK 500 3 ALA A 39 -35.35 -39.99
REMARK 500 3 ASP A 44 -50.58 -145.07
REMARK 500 3 GLN A 46 -60.93 -130.11
REMARK 500 3 ALA A 48 0.57 -154.48
REMARK 500 4 SER A 1B 129.09 -171.74
REMARK 500 4 VAL A 32 -136.51 -103.50
REMARK 500 4 ASN A 33 -157.52 -109.27
REMARK 500 4 SER A 36 -53.03 153.65
REMARK 500 4 LEU A 37 -21.69 -176.97
REMARK 500 4 ASP A 44 90.65 43.27
REMARK 500 4 GLN A 46 98.18 51.77
REMARK 500 4 THR A 72 -15.89 -151.38
REMARK 500 4 VAL A 74 -166.55 -109.64
REMARK 500 4 ILE A 77 -84.29 -114.70
REMARK 500 4 LYS A 80 27.99 -162.18
REMARK 500 5 MET A 1C -31.07 72.47
REMARK 500 5 HIS A 25 -167.88 -121.57
REMARK 500 5 VAL A 32 -157.39 -128.95
REMARK 500 5 SER A 43 -157.07 -137.59
REMARK 500 5 ASP A 44 93.80 -64.66
REMARK 500 5 GLN A 46 -38.64 -154.53
REMARK 500 5 ALA A 48 -11.35 -164.35
REMARK 500 5 ARG A 79 105.47 -160.75
REMARK 500 5 LYS A 81 106.13 -53.96
REMARK 500
REMARK 500 THIS ENTRY HAS 241 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 GLY A 5 TYR A 6 9 -143.62
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 ARG A 9 0.32 SIDE CHAIN
REMARK 500 1 ARG A 18 0.28 SIDE CHAIN
REMARK 500 1 ARG A 66 0.29 SIDE CHAIN
REMARK 500 2 ARG A 9 0.24 SIDE CHAIN
REMARK 500 2 ARG A 18 0.31 SIDE CHAIN
REMARK 500 2 ARG A 66 0.18 SIDE CHAIN
REMARK 500 2 ARG A 79 0.32 SIDE CHAIN
REMARK 500 3 ARG A 9 0.31 SIDE CHAIN
REMARK 500 3 ARG A 18 0.27 SIDE CHAIN
REMARK 500 3 ARG A 66 0.21 SIDE CHAIN
REMARK 500 3 ARG A 79 0.29 SIDE CHAIN
REMARK 500 4 ARG A 9 0.31 SIDE CHAIN
REMARK 500 4 ARG A 18 0.31 SIDE CHAIN
REMARK 500 4 ARG A 79 0.32 SIDE CHAIN
REMARK 500 5 ARG A 9 0.29 SIDE CHAIN
REMARK 500 5 ARG A 18 0.32 SIDE CHAIN
REMARK 500 5 ARG A 66 0.26 SIDE CHAIN
REMARK 500 5 ARG A 79 0.30 SIDE CHAIN
REMARK 500 6 ARG A 9 0.27 SIDE CHAIN
REMARK 500 6 ARG A 18 0.27 SIDE CHAIN
REMARK 500 6 ARG A 66 0.22 SIDE CHAIN
REMARK 500 6 ARG A 79 0.29 SIDE CHAIN
REMARK 500 7 ARG A 9 0.27 SIDE CHAIN
REMARK 500 7 ARG A 18 0.30 SIDE CHAIN
REMARK 500 7 ARG A 66 0.32 SIDE CHAIN
REMARK 500 7 ARG A 79 0.31 SIDE CHAIN
REMARK 500 8 ARG A 9 0.31 SIDE CHAIN
REMARK 500 8 ARG A 18 0.32 SIDE CHAIN
REMARK 500 8 ARG A 66 0.32 SIDE CHAIN
REMARK 500 8 ARG A 79 0.31 SIDE CHAIN
REMARK 500 9 ARG A 9 0.29 SIDE CHAIN
REMARK 500 9 ARG A 18 0.29 SIDE CHAIN
REMARK 500 9 ARG A 66 0.26 SIDE CHAIN
REMARK 500 9 ARG A 79 0.31 SIDE CHAIN
REMARK 500 10 ARG A 9 0.29 SIDE CHAIN
REMARK 500 10 ARG A 18 0.13 SIDE CHAIN
REMARK 500 10 ARG A 66 0.23 SIDE CHAIN
REMARK 500 10 ARG A 79 0.22 SIDE CHAIN
REMARK 500 11 ARG A 9 0.29 SIDE CHAIN
REMARK 500 11 ARG A 18 0.32 SIDE CHAIN
REMARK 500 11 ARG A 66 0.28 SIDE CHAIN
REMARK 500 11 ARG A 79 0.25 SIDE CHAIN
REMARK 500 12 ARG A 9 0.30 SIDE CHAIN
REMARK 500 12 ARG A 18 0.31 SIDE CHAIN
REMARK 500 12 ARG A 66 0.27 SIDE CHAIN
REMARK 500 12 ARG A 79 0.31 SIDE CHAIN
REMARK 500 13 ARG A 9 0.28 SIDE CHAIN
REMARK 500 13 ARG A 18 0.31 SIDE CHAIN
REMARK 500 13 ARG A 66 0.10 SIDE CHAIN
REMARK 500 13 ARG A 79 0.24 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 98 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1PNJ RELATED DB: PDB
DBREF 2PNI A 1C 84 UNP P23727 P85A_BOVIN 1 84
SEQADV 2PNI GLY A 1A UNP P23727 EXPRESSION TAG
SEQADV 2PNI SER A 1B UNP P23727 EXPRESSION TAG
SEQRES 1 A 86 GLY SER MET SER ALA GLU GLY TYR GLN TYR ARG ALA LEU
SEQRES 2 A 86 TYR ASP TYR LYS LYS GLU ARG GLU GLU ASP ILE ASP LEU
SEQRES 3 A 86 HIS LEU GLY ASP ILE LEU THR VAL ASN LYS GLY SER LEU
SEQRES 4 A 86 VAL ALA LEU GLY PHE SER ASP GLY GLN GLU ALA LYS PRO
SEQRES 5 A 86 GLU GLU ILE GLY TRP LEU ASN GLY TYR ASN GLU THR THR
SEQRES 6 A 86 GLY GLU ARG GLY ASP PHE PRO GLY THR TYR VAL GLU TYR
SEQRES 7 A 86 ILE GLY ARG LYS LYS ILE SER PRO
HELIX 1 1 SER A 36 LEU A 40 5 5
SHEET 1 B1 3 ILE A 29 VAL A 32 0
SHEET 2 B1 3 GLN A 7 ALA A 10 -1 N TYR A 8 O LEU A 30
SHEET 3 B1 3 GLU A 75 ARG A 79 -1 O GLY A 78 N GLN A 7
SHEET 1 B2 2 TRP A 55 ASN A 60 0
SHEET 2 B2 2 GLU A 65 PRO A 70 -1 N PHE A 69 O LEU A 56
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
Complete list - v 29 2 Bytes