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1LDP.pdb
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HEADER COMPLEX (MHC I/PEPTIDE) 15-MAR-98 1LDP
TITLE CRYSTAL STRUCTURE OF MURINE MHC CLASS I H-2LD WITH A
TITLE 2 MIXTURE OF BOUND PEPTIDES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MHC CLASS I H-2LD;
COMPND 3 CHAIN: H;
COMPND 4 FRAGMENT: CHAIN H IS THE HEAVY CHAIN, PEPTIDE BINDING
COMPND 5 DOMAIN, CHAIN L IS THE LIGHT CHAIN OR BETA-2-MICROGLOBULIN;
COMPND 6 ENGINEERED: YES;
COMPND 7 MUTATION: YES;
COMPND 8 OTHER_DETAILS: ASPARAGINE LINKED N-ACETYL-GLUCOSAMINE
COMPND 9 CARBOHYDRATES AT CHAIN H, N86 AND N176;
COMPND 10 MOL_ID: 2;
COMPND 11 MOLECULE: MHC CLASS I H-2LD;
COMPND 12 CHAIN: L;
COMPND 13 FRAGMENT: CHAIN H IS THE HEAVY CHAIN, PEPTIDE BINDING
COMPND 14 DOMAIN, CHAIN L IS THE LIGHT CHAIN OR BETA-2-MICROGLOBULIN;
COMPND 15 ENGINEERED: YES;
COMPND 16 MUTATION: YES;
COMPND 17 OTHER_DETAILS: ASPARAGINE LINKED N-ACETYL-GLUCOSAMINE
COMPND 18 CARBOHYDRATES AT CHAIN H, N86 AND N176;
COMPND 19 MOL_ID: 3;
COMPND 20 MOLECULE: PEPTIDE;
COMPND 21 CHAIN: P;
COMPND 22 FRAGMENT: CHAIN P IS A PEPTIDE, CHAIN Q IS A MODEL OF
COMPND 23 PEPTIDE QL9 DERIVED FROM P;
COMPND 24 MOL_ID: 4;
COMPND 25 MOLECULE: PEPTIDE;
COMPND 26 CHAIN: Q;
COMPND 27 FRAGMENT: CHAIN P IS A PEPTIDE, CHAIN Q IS A MODEL OF
COMPND 28 PEPTIDE QL9 DERIVED FROM P
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 CELL: MOST NUCLEATED CELLS;
SOURCE 6 CELLULAR_LOCATION: CYTOPLASM, ER, CELL SURFACE;
SOURCE 7 GENE: H-2LD;
SOURCE 8 EXPRESSION_SYSTEM: DROSOPHILA MELANOGASTER;
SOURCE 9 EXPRESSION_SYSTEM_COMMON: FRUIT FLY;
SOURCE 10 EXPRESSION_SYSTEM_TAXID: 7227;
SOURCE 11 EXPRESSION_SYSTEM_CELLULAR_LOCATION: SECRETED;
SOURCE 12 MOL_ID: 2;
SOURCE 13 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 14 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 15 ORGANISM_TAXID: 10090;
SOURCE 16 CELL: MOST NUCLEATED CELLS;
SOURCE 17 CELLULAR_LOCATION: CYTOPLASM, ER, CELL SURFACE;
SOURCE 18 GENE: H-2LD;
SOURCE 19 EXPRESSION_SYSTEM: DROSOPHILA MELANOGASTER;
SOURCE 20 EXPRESSION_SYSTEM_COMMON: FRUIT FLY;
SOURCE 21 EXPRESSION_SYSTEM_TAXID: 7227;
SOURCE 22 EXPRESSION_SYSTEM_CELLULAR_LOCATION: SECRETED;
SOURCE 23 MOL_ID: 3;
SOURCE 24 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;
SOURCE 25 ORGANISM_COMMON: FRUIT FLY;
SOURCE 26 ORGANISM_TAXID: 7227;
SOURCE 27 OTHER_DETAILS: CHAIN P PEPTIDE IS THE NATURAL PRODUCT OF
SOURCE 28 THE EXPRESSION SYSTEM. IT IS ACTUALLY A MODEL REPRESENTING
SOURCE 29 THE ELECTRON DENSITY OF A MIXTURE OF BOUND PEPTIDES
SOURCE 30 AVAILABLE IN THE PROTEIN EXPRESSION MEDIA.;
SOURCE 31 MOL_ID: 4;
SOURCE 32 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;
SOURCE 33 ORGANISM_COMMON: FRUIT FLY;
SOURCE 34 ORGANISM_TAXID: 7227;
SOURCE 35 OTHER_DETAILS: CHAIN P PEPTIDE IS THE NATURAL PRODUCT OF
SOURCE 36 THE EXPRESSION SYSTEM. IT IS ACTUALLY A MODEL REPRESENTING
SOURCE 37 THE ELECTRON DENSITY OF A MIXTURE OF BOUND PEPTIDES
SOURCE 38 AVAILABLE IN THE PROTEIN EXPRESSION MEDIA.
KEYWDS COMPLEX (MHC I/PEPTIDE), MAJOR HISTOCOMPATIBILITY COMPLEX,
KEYWDS 2 IMMUNOLOGY, CELLULAR IMMUNITY, PEPTIDE ANTIGEN, CELL
KEYWDS 3 SURFACE RECEPTOR, ANTIGEN RECEPTOR, ANTIGEN PRESENTATION
EXPDTA X-RAY DIFFRACTION
AUTHOR J.A.SPEIR,I.A.WILSON
REVDAT 2 24-FEB-09 1LDP 1 VERSN
REVDAT 1 17-JUN-98 1LDP 0
JRNL AUTH J.A.SPEIR,K.C.GARCIA,A.BRUNMARK,M.DEGANO,
JRNL AUTH 2 P.A.PETERSON,L.TEYTON,I.A.WILSON
JRNL TITL STRUCTURAL BASIS OF 2C TCR ALLORECOGNITION OF
JRNL TITL 2 H-2LD PEPTIDE COMPLEXES.
JRNL REF IMMUNITY V. 8 553 1998
JRNL REFN ISSN 1074-7613
JRNL PMID 9620676
JRNL DOI 10.1016/S1074-7613(00)80560-9
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH K.C.GARCIA,M.DEGANO,L.R.PEASE,M.HUANG,P.A.PETERSON,
REMARK 1 AUTH 2 L.TEYTON,I.A.WILSON
REMARK 1 TITL STRUCTURAL BASIS OF PLASTICITY IN T CELL RECEPTOR
REMARK 1 TITL 2 RECOGNITION OF A SELF PEPTIDE-MHC ANTIGEN
REMARK 1 REF SCIENCE V. 279 1166 1998
REMARK 1 REFN ISSN 0036-8075
REMARK 2
REMARK 2 RESOLUTION. 3.10 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.825
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.10
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 100000.000
REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.1000
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 85.0
REMARK 3 NUMBER OF REFLECTIONS : 7935
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT
REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM
REMARK 3 R VALUE (WORKING SET) : 0.221
REMARK 3 FREE R VALUE : 0.371
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.000
REMARK 3 FREE R VALUE TEST SET COUNT : 556
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.016
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : 8
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 3.10
REMARK 3 BIN RESOLUTION RANGE LOW (A) : 3.22
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 72.00
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 783
REMARK 3 BIN R VALUE (WORKING SET) : 0.2910
REMARK 3 BIN FREE R VALUE : 0.4770
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.60
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 59
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.062
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 3087
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 42
REMARK 3 SOLVENT ATOMS : 0
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.00
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -4.19200
REMARK 3 B22 (A**2) : 2.91800
REMARK 3 B33 (A**2) : 1.27400
REMARK 3 B12 (A**2) : 0.00000
REMARK 3 B13 (A**2) : -6.20400
REMARK 3 B23 (A**2) : 0.00000
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.35
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : 6.00
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.60
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.015
REMARK 3 BOND ANGLES (DEGREES) : 1.80
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.80
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.80
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : ONE B-VALUE PER RESIDUE
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3
REMARK 3 NCS MODEL : NULL
REMARK 3
REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT
REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL
REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL
REMARK 3
REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO
REMARK 3 PARAMETER FILE 2 : PARAM3_MOD.CHO
REMARK 3 PARAMETER FILE 3 : NULL
REMARK 3 PARAMETER FILE 4 : NULL
REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO
REMARK 3 TOPOLOGY FILE 2 : TOPH3.CHO
REMARK 3 TOPOLOGY FILE 3 : TOPH19SYED.PEP
REMARK 3 TOPOLOGY FILE 4 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: SOME LIBRARIES WERE MODIFIED IN-
REMARK 3 HOUSE TO PROVIDE MISSING CARBOHYDRATE AND PROTEIN
REMARK 3 SPECIFICATIONS. X-PLOR 3.1 ALSO WAS USED.
REMARK 4
REMARK 4 1LDP COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : JAN-96
REMARK 200 TEMPERATURE (KELVIN) : 298
REMARK 200 PH : 6.5
REMARK 200 NUMBER OF CRYSTALS USED : 3
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : ELLIOTT GX-18
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : NI FILTER
REMARK 200 OPTICS : DOUBLE-MIRROR FOCUSING CAMERAS
REMARK 200
REMARK 200 DETECTOR TYPE : AREA DETECTOR
REMARK 200 DETECTOR MANUFACTURER : SIEMENS
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11809
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.800
REMARK 200 RESOLUTION RANGE LOW (A) : 15.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 81.0
REMARK 200 DATA REDUNDANCY : 2.200
REMARK 200 R MERGE (I) : 0.11300
REMARK 200 R SYM (I) : 0.11300
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 5.6000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.80
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.90
REMARK 200 COMPLETENESS FOR SHELL (%) : 63.6
REMARK 200 DATA REDUNDANCY IN SHELL : 1.40
REMARK 200 R MERGE FOR SHELL (I) : 0.35800
REMARK 200 R SYM FOR SHELL (I) : 0.35800
REMARK 200 <I/SIGMA(I)> FOR SHELL : 1.800
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: X-PLOR
REMARK 200 STARTING MODEL: PDB ENTRY 1HOC
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 61.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.18
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 100MM
REMARK 280 SODIUM CACODYLATE, 0.2M AMMONIUM SULFATE, 0.5M SODIUM BROMIDE,
REMARK 280 30% PEG 8000, PH 6.5.
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,Y,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
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: TETRAMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: H, L, P, Q
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 410
REMARK 410 IMGT/3Dstructure-DB annotations
REMARK 410 (http://www.imgt.org)
REMARK 410
REMARK 410 IMGT protein name
REMARK 410 H2-Ld-2
REMARK 410 IMGT receptor type
REMARK 410 MH
REMARK 410 IMGT receptor description
REMARK 410 MH1-ALPHA_B2M
REMARK 410 Species
REMARK 410 Mus musculus (house mouse)
REMARK 410 Chain ID
REMARK 410 1ldp_H,1ldp_L
REMARK 410
REMARK 410 ligand(s)
REMARK 410 2-(Acetylamino)-2-Deoxy-A-D-Glucopyranose
REMARK 410 IMGT receptor type
REMARK 410
REMARK 410 IMGT receptor description
REMARK 410 Carbohydrate
REMARK 410 Species
REMARK 410 Chain ID
REMARK 410 1ldp_1
REMARK 410
REMARK 410 ligand(s)
REMARK 410 2-(Acetylamino)-2-Deoxy-A-D-Glucopyranose
REMARK 410 IMGT receptor type
REMARK 410
REMARK 410 IMGT receptor description
REMARK 410 Carbohydrate
REMARK 410 Species
REMARK 410 Chain ID
REMARK 410 1ldp_2
REMARK 410
REMARK 410 ligand(s)
REMARK 410 QL9 (or p2Ca) peptide (model of an allogeneic complex)
REMARK 410 IMGT receptor type
REMARK 410
REMARK 410 IMGT receptor description
REMARK 410 Peptide
REMARK 410 Species
REMARK 410 Drosophila melanogaster (fruit fly)
REMARK 410 Chain ID
REMARK 410 1ldp_Q
REMARK 410
REMARK 410 ligand(s)
REMARK 410 QL9 (or p2Ca) peptide (model of an allogeneic complex)
REMARK 410 IMGT receptor type
REMARK 410
REMARK 410 IMGT receptor description
REMARK 410 Peptide
REMARK 410 Species
REMARK 410 Drosophila melanogaster (fruit fly)
REMARK 410 Chain ID
REMARK 410 1ldp_P
REMARK 410
REMARK 410
REMARK 410 Chain ID 1ldp_H (1LDPH)
REMARK 410 IMGT chain description I-ALPHA
REMARK 410 Chain amino acid sequence
REMARK 410 [ G-ALPHA1 (1-90) [D1]
REMARK 410 GPHSMRYFETAVSRPGLGEPRYISVGYVDNKEFVRFDSDAENPRYEPQAPWMEQEGPEYWERITQI
REMARK 410 ][ G-ALPHA
REMARK 410 AKGQEQWFRVNLRTLLGYYNQSAGGTHTLQWMYGCDVGSDGRLLRGYEQFAYDGCDYIALNEDLKT
REMARK 410 2 (91-182) [D2] ][
REMARK 410 WTAADMAAQITRRKWEQAGAAEYYRAYLEGECVEWLHRYLKNGNATLLRTDSPKAHVTHHPRSKGE
REMARK 410 C-LIKE (183-272) [D3]
REMARK 410 VTLRCWALGFYPADITLTWQLNGEELTQDMELVETRPAGDGTFQKWASVVVPLGKEQNYTCRVYHE
REMARK 410 ]
REMARK 410 GLPEPLTL
REMARK 410 G-DOMAIN IMGT domain description G-ALPHA1
REMARK 410 G-DOMAIN ..........GPHSMRY.FETAVSRPGLGEPRYISVGYVDNKEFVRFDSDAE
REMARK 410 G-DOMAIN NPRYEPQA.......PWMEQEGPEYWERITQIAKGQEQWFRVNLRTLLGYYN
REMARK 410 G-DOMAIN QSAG...
REMARK 410 G-DOMAIN IMGT domain description G-ALPHA2
REMARK 410 G-DOMAIN ..........GTHTLQWMYGCDVGSDGRLLRGYEQFAYDGCDYIALNED..L
REMARK 410 G-DOMAIN KTWTAAD.......MAAQITRRKWEQA.GAAEYYRAYLEGECVEWLHRYLKN
REMARK 410 G-DOMAIN GNATLLRT.
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN Sheet composition [A B D E] [C F G]
REMARK 410 C-LIKE-DOMAIN .......DSPKAHVTHHPRSK......GEVTLRCWALGFYP..ADITLTWQL
REMARK 410 C-LIKE-DOMAIN NGEELTQ..DMELVETRPAGD......GTFQKWASVVVPLG.....KEQNYT
REMARK 410 C-LIKE-DOMAIN CRVYHEG..LPEPLTL..
REMARK 410
REMARK 410 Chain ID 1ldp_L (1LDPL)
REMARK 410 IMGT chain description B2M
REMARK 410 Chain amino acid sequence
REMARK 410 [ C-LIKE (1-99) [D1]
REMARK 410 IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILA
REMARK 410 ]
REMARK 410 HTEFTPTETDTYACRVKHDSMAEPKTVYWDRDM
REMARK 410 C-LIKE-DOMAIN IMGT domain description C-LIKE
REMARK 410 C-LIKE-DOMAIN IMGT gene and allele Mus musculus B2M*01 (100%)
REMARK 410 C-LIKE-DOMAIN Sheet composition [A B D E] [C F G]
REMARK 410 C-LIKE-DOMAIN .....IQKTPQIQVYSRHPPEN....GKPNILNCYVTQFHP..PHIEIQMLK
REMARK 410 C-LIKE-DOMAIN NGKKIP...KVEMSDMSFSKD......WSFYILAHTEFTPTE.....TDTYA
REMARK 410 C-LIKE-DOMAIN CRVKHDS..MAEPKTVYWDRDM
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: CNP
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: THIS NINE AMINO ACID MODEL BEST FITS THE
REMARK 800 ELECTRON DENSITY REPRESENTING A MIXTURE OF PEPTIDES BOUND IN
REMARK 800 THE H-2LD PEPTIDE-BINDING GROOVE. IT WAS USED THROUGHOUT H-2LD
REMARK 800 REFINEMENT.
REMARK 800 SITE_IDENTIFIER: CNQ
REMARK 800 EVIDENCE_CODE: UNKNOWN
REMARK 800 SITE_DESCRIPTION: THIS NINE RESIDUE MODEL OF ANTIGENIC PEPTIDE
REMARK 800 QL9 ALSO FITS WELL TO THE ELECTRON DENSITY OF THE H-2LD BOUND
REMARK 800 PEPTIDE MIXTURE. THESE COORDINATES HAVE BEEN REFINED IN X-PLOR
REMARK 800 TOGETHER WITH THE FINAL MODELS OF THE H AND L CHAINS.
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDG H 273
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDG H 274
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDG H 275
DBREF 1LDP H 1 272 UNP P01897 HA1L_MOUSE 25 296
DBREF 1LDP L 1 99 UNP P01887 B2MG_MOUSE 21 119
DBREF 1LDP P 1 9 PDB 1LDP 1LDP 1 9
DBREF 1LDP Q 1 9 PDB 1LDP 1LDP 1 9
SEQRES 1 H 272 GLY PRO HIS SER MET ARG TYR PHE GLU THR ALA VAL SER
SEQRES 2 H 272 ARG PRO GLY LEU GLY GLU PRO ARG TYR ILE SER VAL GLY
SEQRES 3 H 272 TYR VAL ASP ASN LYS GLU PHE VAL ARG PHE ASP SER ASP
SEQRES 4 H 272 ALA GLU ASN PRO ARG TYR GLU PRO GLN ALA PRO TRP MET
SEQRES 5 H 272 GLU GLN GLU GLY PRO GLU TYR TRP GLU ARG ILE THR GLN
SEQRES 6 H 272 ILE ALA LYS GLY GLN GLU GLN TRP PHE ARG VAL ASN LEU
SEQRES 7 H 272 ARG THR LEU LEU GLY TYR TYR ASN GLN SER ALA GLY GLY
SEQRES 8 H 272 THR HIS THR LEU GLN TRP MET TYR GLY CYS ASP VAL GLY
SEQRES 9 H 272 SER ASP GLY ARG LEU LEU ARG GLY TYR GLU GLN PHE ALA
SEQRES 10 H 272 TYR ASP GLY CYS ASP TYR ILE ALA LEU ASN GLU ASP LEU
SEQRES 11 H 272 LYS THR TRP THR ALA ALA ASP MET ALA ALA GLN ILE THR
SEQRES 12 H 272 ARG ARG LYS TRP GLU GLN ALA GLY ALA ALA GLU TYR TYR
SEQRES 13 H 272 ARG ALA TYR LEU GLU GLY GLU CYS VAL GLU TRP LEU HIS
SEQRES 14 H 272 ARG TYR LEU LYS ASN GLY ASN ALA THR LEU LEU ARG THR
SEQRES 15 H 272 ASP SER PRO LYS ALA HIS VAL THR HIS HIS PRO ARG SER
SEQRES 16 H 272 LYS GLY GLU VAL THR LEU ARG CYS TRP ALA LEU GLY PHE
SEQRES 17 H 272 TYR PRO ALA ASP ILE THR LEU THR TRP GLN LEU ASN GLY
SEQRES 18 H 272 GLU GLU LEU THR GLN ASP MET GLU LEU VAL GLU THR ARG
SEQRES 19 H 272 PRO ALA GLY ASP GLY THR PHE GLN LYS TRP ALA SER VAL
SEQRES 20 H 272 VAL VAL PRO LEU GLY LYS GLU GLN ASN TYR THR CYS ARG
SEQRES 21 H 272 VAL TYR HIS GLU GLY LEU PRO GLU PRO LEU THR LEU
SEQRES 1 L 99 ILE GLN LYS THR PRO GLN ILE GLN VAL TYR SER ARG HIS
SEQRES 2 L 99 PRO PRO GLU ASN GLY LYS PRO ASN ILE LEU ASN CYS TYR
SEQRES 3 L 99 VAL THR GLN PHE HIS PRO PRO HIS ILE GLU ILE GLN MET
SEQRES 4 L 99 LEU LYS ASN GLY LYS LYS ILE PRO LYS VAL GLU MET SER
SEQRES 5 L 99 ASP MET SER PHE SER LYS ASP TRP SER PHE TYR ILE LEU
SEQRES 6 L 99 ALA HIS THR GLU PHE THR PRO THR GLU THR ASP THR TYR
SEQRES 7 L 99 ALA CYS ARG VAL LYS HIS ASP SER MET ALA GLU PRO LYS
SEQRES 8 L 99 THR VAL TYR TRP ASP ARG ASP MET
SEQRES 1 P 9 ALA PRO ALA ALA ALA ALA ALA ALA MET
SEQRES 1 Q 9 GLN LEU SER PRO PHE PRO PHE ASP LEU
MODRES 1LDP ASN H 86 ASN GLYCOSYLATION SITE
MODRES 1LDP ASN H 1086 ASN GLYCOSYLATION SITE
HET NDG 1 1 14
HET NDG 2 2 14
HET NDG 2 3 14
HETNAM NDG 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
FORMUL 5 NDG 3(C8 H15 N O6)
HELIX 1 1 PRO H 57 TYR H 84 1 28
HELIX 2 2 MET H 1050 ALA H 1061A 1 13
HELIX 3 3 ALA H 1063 GLU H 1072 1 10
HELIX 4 4 GLU H 1073 ASN H 1084 1 12
HELIX 5 5 ASN H 1086 LEU H 1089 1 4
HELIX 6 6 GLU H 2099 ASN H 2101 5 3
SHEET 1 A 6 LYS H 31 ARG H 35 0
SHEET 2 A 6 VAL H 25 VAL H 28 -1 N VAL H 28 O LYS H 31
SHEET 3 A 6 HIS H 3 VAL H 12 -1 N ARG H 6 O TYR H 27
SHEET 4 A 6 THR H1004 VAL H1013 -1 N VAL H1013 O HIS H 3
SHEET 5 A 6 LEU H1019 TYR H1028 -1 N ALA H1027 O GLN H1006
SHEET 6 A 6 ASP H1032 ALA H1035 -1 N ILE H1034 O PHE H1026
SHEET 1 B 2 ILE H2037 GLN H2042 0
SHEET 2 B 2 THR H2103 HIS H2108 -1 N TYR H2107 O THR H2038
SHEET 1 C 2 GLU H2018 PHE H2028 0
SHEET 2 C 2 PHE H2085B PRO H2092 -1 N VAL H2091 O VAL H2019
SHEET 1 D 2 LEU L 21 TYR L 24 0
SHEET 2 D 2 LEU L 86 THR L 89 -1 N THR L 89 O LEU L 21
SHEET 1 E 3 ILE L 37 LYS L 43 0
SHEET 2 E 3 TYR L 102 HIS L 108 -1 N LYS L 107 O GLU L 38
SHEET 3 E 3 LYS L 117 TYR L 120 -1 N VAL L 119 O CYS L 104
SSBOND 1 CYS H 1011 CYS H 1074 1555 1555
SSBOND 2 CYS H 2023 CYS H 2104 1555 1555
SSBOND 3 CYS L 23 CYS L 104 1555 1555
LINK C1 NDG 1 1 ND2 ASN H 86 1555 1555
LINK C1 NDG 2 2 ND2 ASN H1086 1555 1555
LINK O4 NDG 2 2 C1 NDG 2 3 1555 1555
CISPEP 1 TYR H 2029 PRO H 2030 0 0.38
CISPEP 2 HIS L 29 PRO L 30 0 -1.91
SITE 1 CNP 1 ALA P 1
SITE 1 CNQ 1 GLN Q 1
SITE 1 AC1 2 TYR H 84 ASN H 86
SITE 1 AC2 2 ASN H1086 NDG 2 3
SITE 1 AC3 2 LYS H1083 NDG 2 2
CRYST1 72.400 48.980 84.060 90.00 97.95 90.00 P 1 2 1 2
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 0.013812 0.000000 0.001929 0.00000
SCALE2 0.000000 0.020416 0.000000 0.00000
SCALE3 0.000000 0.000000 0.012012 0.00000
ATOM 1 N GLY A 1 -27.122 -14.303 -41.040 1.00 17.76 N
ATOM 2 CA GLY A 1 -27.001 -13.346 -42.186 1.00 17.76 C
ATOM 3 C GLY A 1 -25.630 -12.703 -42.192 1.00 17.76 C
ATOM 4 O GLY A 1 -24.650 -13.408 -41.995 1.00 17.76 O
ATOM 5 N PRO A 2 -25.542 -11.376 -42.350 1.00 6.73 N
ATOM 6 CA PRO A 2 -24.333 -10.568 -42.387 1.00 6.73 C
ATOM 7 C PRO A 2 -23.330 -10.885 -41.270 1.00 6.73 C
ATOM 8 O PRO A 2 -23.672 -11.497 -40.248 1.00 6.73 O
ATOM 9 CB PRO A 2 -24.887 -9.174 -42.272 1.00 6.73 C
ATOM 10 CG PRO A 2 -26.179 -9.290 -42.964 1.00 6.73 C
ATOM 11 CD PRO A 2 -26.713 -10.495 -42.336 1.00 6.73 C
ATOM 12 N HIS A 3 -22.091 -10.444 -41.428 1.00 13.33 N
ATOM 13 CA HIS A 3 -21.091 -10.800 -40.441 1.00 13.33 C
ATOM 14 C HIS A 3 -20.067 -9.715 -40.246 1.00 13.33 C
ATOM 15 O HIS A 3 -20.071 -8.726 -40.962 1.00 13.33 O
ATOM 16 CB HIS A 3 -20.376 -12.064 -40.931 1.00 13.33 C
ATOM 17 CG HIS A 3 -21.282 -13.233 -41.139 1.00 13.33 C
ATOM 18 ND1 HIS A 3 -21.656 -14.072 -40.118 1.00 13.33 N
ATOM 19 CD2 HIS A 3 -21.872 -13.712 -42.258 1.00 13.33 C
ATOM 20 CE1 HIS A 3 -22.431 -15.023 -40.583 1.00 13.33 C
ATOM 21 NE2 HIS A 3 -22.579 -14.833 -41.882 1.00 13.33 N
ATOM 22 N SER A 4 -19.113 -9.969 -39.360 1.00 19.77 N
ATOM 23 CA SER A 4 -18.049 -9.020 -39.101 1.00 19.77 C
ATOM 24 C SER A 4 -16.852 -9.763 -38.569 1.00 19.77 C
ATOM 25 O SER A 4 -17.011 -10.687 -37.774 1.00 19.77 O
ATOM 26 CB SER A 4 -18.477 -7.991 -38.066 1.00 19.77 C
ATOM 27 OG SER A 4 -18.721 -8.623 -36.822 1.00 19.77 O
ATOM 28 N MET A 5 -15.676 -9.432 -39.080 1.00 6.76 N
ATOM 29 CA MET A 5 -14.422 -10.017 -38.601 1.00 6.76 C
ATOM 30 C MET A 5 -13.620 -8.780 -38.172 1.00 6.76 C
ATOM 31 O MET A 5 -13.393 -7.874 -38.990 1.00 6.76 O
ATOM 32 CB MET A 5 -13.714 -10.788 -39.710 1.00 6.76 C
ATOM 33 CG MET A 5 -12.356 -11.279 -39.335 1.00 6.76 C
ATOM 34 SD MET A 5 -11.607 -11.864 -40.803 1.00 6.76 S
ATOM 35 CE MET A 5 -10.429 -10.656 -41.079 1.00 6.76 C
ATOM 36 N ARG A 6 -13.257 -8.714 -36.893 1.00 18.70 N
ATOM 37 CA ARG A 6 -12.558 -7.574 -36.361 1.00 18.70 C
ATOM 38 C ARG A 6 -11.380 -8.050 -35.551 1.00 18.70 C
ATOM 39 O ARG A 6 -11.384 -9.200 -35.107 1.00 18.70 O
ATOM 40 CB ARG A 6 -13.522 -6.741 -35.496 1.00 18.70 C
ATOM 41 CG ARG A 6 -14.547 -5.942 -36.345 1.00 18.70 C
ATOM 42 CD ARG A 6 -15.598 -5.137 -35.562 1.00 18.70 C
ATOM 43 NE ARG A 6 -16.573 -5.984 -34.864 1.00 18.70 N
ATOM 44 CZ ARG A 6 -17.209 -5.659 -33.731 1.00 18.70 C
ATOM 45 NH1 ARG A 6 -17.026 -4.469 -33.163 1.00 18.70 N
ATOM 46 NH2 ARG A 6 -17.801 -6.610 -33.014 1.00 18.70 N
ATOM 47 N TYR A 7 -10.364 -7.192 -35.387 1.00 4.48 N
ATOM 48 CA TYR A 7 -9.163 -7.512 -34.591 1.00 4.48 C
ATOM 49 C TYR A 7 -8.939 -6.386 -33.566 1.00 4.48 C
ATOM 50 O TYR A 7 -8.994 -5.247 -33.942 1.00 4.48 O
ATOM 51 CB TYR A 7 -7.933 -7.610 -35.509 1.00 4.48 C
ATOM 52 CG TYR A 7 -7.689 -8.965 -36.126 1.00 4.48 C
ATOM 53 CD1 TYR A 7 -7.354 -10.028 -35.328 1.00 4.48 C
ATOM 54 CD2 TYR A 7 -7.707 -9.162 -37.508 1.00 4.48 C
ATOM 55 CE1 TYR A 7 -7.025 -11.266 -35.853 1.00 4.48 C
ATOM 56 CE2 TYR A 7 -7.387 -10.398 -38.055 1.00 4.48 C
ATOM 57 CZ TYR A 7 -7.033 -11.458 -37.207 1.00 4.48 C
ATOM 58 OH TYR A 7 -6.619 -12.704 -37.688 1.00 4.48 O
ATOM 59 N PHE A 8 -8.703 -6.690 -32.294 1.00 19.12 N
ATOM 60 CA PHE A 8 -8.473 -5.637 -31.284 1.00 19.12 C
ATOM 61 C PHE A 8 -7.120 -5.793 -30.593 1.00 19.12 C
ATOM 62 O PHE A 8 -7.079 -6.401 -29.497 1.00 19.12 O
ATOM 63 CB PHE A 8 -9.535 -5.678 -30.176 1.00 19.12 C
ATOM 64 CG PHE A 8 -10.904 -5.296 -30.632 1.00 19.12 C
ATOM 65 CD1 PHE A 8 -11.727 -6.222 -31.285 1.00 19.12 C
ATOM 66 CD2 PHE A 8 -11.368 -3.988 -30.428 1.00 19.12 C
ATOM 67 CE1 PHE A 8 -13.017 -5.847 -31.753 1.00 19.12 C
ATOM 68 CE2 PHE A 8 -12.635 -3.596 -30.874 1.00 19.12 C
ATOM 69 CZ PHE A 8 -13.482 -4.532 -31.549 1.00 19.12 C
ATOM 70 N GLU A 9 -6.025 -5.299 -31.194 1.00 3.50 N
ATOM 71 CA GLU A 9 -4.717 -5.430 -30.553 1.00 3.50 C
ATOM 72 C GLU A 9 -4.274 -4.237 -29.661 1.00 3.50 C
ATOM 73 O GLU A 9 -4.349 -3.079 -30.057 1.00 3.50 O
ATOM 74 CB GLU A 9 -3.675 -5.791 -31.578 1.00 3.50 C
ATOM 75 CG GLU A 9 -3.868 -5.148 -32.911 1.00 3.50 C
ATOM 76 CD GLU A 9 -2.964 -5.770 -33.971 1.00 3.50 C
ATOM 77 OE1 GLU A 9 -1.808 -5.353 -34.051 1.00 3.50 O
ATOM 78 OE2 GLU A 9 -3.382 -6.684 -34.718 1.00 3.50 O
ATOM 79 N THR A 10 -3.788 -4.515 -28.462 1.00 14.76 N
ATOM 80 CA THR A 10 -3.390 -3.455 -27.562 1.00 14.76 C
ATOM 81 C THR A 10 -1.920 -3.507 -27.141 1.00 14.76 C
ATOM 82 O THR A 10 -1.247 -4.518 -27.378 1.00 14.76 O
ATOM 83 CB THR A 10 -4.283 -3.579 -26.365 1.00 14.76 C
ATOM 84 OG1 THR A 10 -5.628 -3.403 -26.810 1.00 14.76 O
ATOM 85 CG2 THR A 10 -3.925 -2.607 -25.240 1.00 14.76 C
ATOM 86 N ALA A 11 -1.421 -2.397 -26.569 1.00 16.60 N
ATOM 87 CA ALA A 11 -0.042 -2.264 -26.060 1.00 16.60 C
ATOM 88 C ALA A 11 -0.018 -1.541 -24.718 1.00 16.60 C
ATOM 89 O ALA A 11 -0.599 -0.467 -24.582 1.00 16.60 O
ATOM 90 CB ALA A 11 0.840 -1.506 -27.067 1.00 16.60 C
ATOM 91 N VAL A 12 0.614 -2.153 -23.724 1.00 18.21 N
ATOM 92 CA VAL A 12 0.745 -1.550 -22.390 1.00 18.21 C
ATOM 93 C VAL A 12 2.213 -1.222 -22.081 1.00 18.21 C
ATOM 94 O VAL A 12 3.097 -2.109 -22.160 1.00 18.21 O
ATOM 95 CB VAL A 12 0.212 -2.486 -21.298 1.00 18.21 C
ATOM 96 CG1 VAL A 12 -1.239 -2.683 -21.482 1.00 18.21 C
ATOM 97 CG2 VAL A 12 0.904 -3.834 -21.346 1.00 18.21 C
ATOM 98 N SER A 13 2.477 0.032 -21.708 1.00 28.40 N
ATOM 99 CA SER A 13 3.848 0.485 -21.406 1.00 28.40 C
ATOM 100 C SER A 13 4.516 0.028 -20.113 1.00 28.40 C
ATOM 101 O SER A 13 4.089 0.380 -19.024 1.00 28.40 O
ATOM 102 CB SER A 13 3.921 2.008 -21.445 1.00 28.40 C
ATOM 103 OG SER A 13 3.538 2.496 -22.711 1.00 28.40 O
ATOM 104 N ARG A 14 5.657 -0.625 -20.254 1.00 52.54 N
ATOM 105 CA ARG A 14 6.415 -1.084 -19.094 1.00 52.54 C
ATOM 106 C ARG A 14 7.865 -0.595 -19.179 1.00 52.54 C
ATOM 107 O ARG A 14 8.819 -1.379 -19.034 1.00 52.54 O
ATOM 108 CB ARG A 14 6.359 -2.613 -18.967 1.00 52.54 C
ATOM 109 CG ARG A 14 4.985 -3.123 -18.614 1.00 52.54 C
ATOM 110 CD ARG A 14 4.977 -4.610 -18.475 1.00 52.54 C
ATOM 111 NE ARG A 14 3.637 -5.076 -18.186 1.00 52.54 N
ATOM 112 CZ ARG A 14 3.171 -6.264 -18.545 1.00 52.54 C
ATOM 113 NH1 ARG A 14 3.954 -7.112 -19.207 1.00 52.54 N
ATOM 114 NH2 ARG A 14 1.912 -6.589 -18.274 1.00 52.54 N
ATOM 115 N PRO A 15 8.037 0.729 -19.352 1.00 39.64 N
ATOM 116 CA PRO A 15 9.346 1.367 -19.462 1.00 39.64 C
ATOM 117 C PRO A 15 10.429 0.731 -18.603 1.00 39.64 C
ATOM 118 O PRO A 15 11.311 0.031 -19.106 1.00 39.64 O
ATOM 119 CB PRO A 15 9.050 2.806 -19.039 1.00 39.64 C
ATOM 120 CG PRO A 15 7.711 3.012 -19.616 1.00 39.64 C
ATOM 121 CD PRO A 15 6.984 1.751 -19.223 1.00 39.64 C
ATOM 122 N GLY A 16 10.317 0.935 -17.296 1.00 40.05 N
ATOM 123 CA GLY A 16 11.310 0.398 -16.387 1.00 40.05 C
ATOM 124 C GLY A 16 11.495 -1.103 -16.484 1.00 40.05 C
ATOM 125 O GLY A 16 12.628 -1.597 -16.499 1.00 40.05 O
ATOM 126 N LEU A 17 10.372 -1.816 -16.595 1.00 58.28 N
ATOM 127 CA LEU A 17 10.361 -3.279 -16.653 1.00 58.28 C
ATOM 128 C LEU A 17 11.131 -3.865 -17.808 1.00 58.28 C
ATOM 129 O LEU A 17 11.852 -4.845 -17.614 1.00 58.28 O
ATOM 130 CB LEU A 17 8.933 -3.835 -16.638 1.00 58.28 C
ATOM 131 CG LEU A 17 8.151 -3.549 -15.335 1.00 58.28 C
ATOM 132 CD1 LEU A 17 6.828 -4.297 -15.383 1.00 58.28 C
ATOM 133 CD2 LEU A 17 8.955 -3.936 -14.081 1.00 58.28 C
ATOM 134 N GLY A 18 10.938 -3.311 -19.009 1.00 35.47 N
ATOM 135 CA GLY A 18 11.681 -3.807 -20.158 1.00 35.47 C
ATOM 136 C GLY A 18 11.010 -3.919 -21.515 1.00 35.47 C
ATOM 137 O GLY A 18 11.717 -3.929 -22.522 1.00 35.47 O
ATOM 138 N GLU A 19 9.688 -4.052 -21.569 1.00 32.33 N
ATOM 139 CA GLU A 19 9.026 -4.169 -22.868 1.00 32.33 C
ATOM 140 C GLU A 19 7.509 -4.093 -22.789 1.00 32.33 C
ATOM 141 O GLU A 19 6.915 -4.600 -21.847 1.00 32.33 O
ATOM 142 CB GLU A 19 9.457 -5.487 -23.553 1.00 32.33 C
ATOM 143 CG GLU A 19 8.727 -5.860 -24.876 1.00 32.33 C
ATOM 144 CD GLU A 19 9.185 -5.065 -26.100 1.00 32.33 C
ATOM 145 OE1 GLU A 19 10.384 -4.665 -26.176 1.00 32.33 O
ATOM 146 OE2 GLU A 19 8.324 -4.857 -26.994 1.00 32.33 O
ATOM 147 N PRO A 20 6.865 -3.414 -23.761 1.00 24.18 N
ATOM 148 CA PRO A 20 5.413 -3.337 -23.702 1.00 24.18 C
ATOM 149 C PRO A 20 4.891 -4.730 -24.011 1.00 24.18 C
ATOM 150 O PRO A 20 5.568 -5.506 -24.685 1.00 24.18 O
ATOM 151 CB PRO A 20 5.079 -2.354 -24.834 1.00 24.18 C
ATOM 152 CG PRO A 20 6.314 -1.566 -25.025 1.00 24.18 C
ATOM 153 CD PRO A 20 7.357 -2.637 -24.914 1.00 24.18 C
ATOM 154 N ARG A 21 3.682 -5.010 -23.538 1.00 19.54 N
ATOM 155 CA ARG A 21 3.038 -6.297 -23.719 1.00 19.54 C
ATOM 156 C ARG A 21 1.933 -6.242 -24.794 1.00 19.54 C
ATOM 157 O ARG A 21 0.731 -6.395 -24.505 1.00 19.54 O
ATOM 158 CB ARG A 21 2.483 -6.748 -22.363 1.00 19.54 C
ATOM 159 CG ARG A 21 1.712 -8.068 -22.312 1.00 19.54 C
ATOM 160 CD ARG A 21 1.162 -8.312 -20.909 1.00 19.54 C
ATOM 161 NE ARG A 21 0.671 -9.676 -20.752 1.00 19.54 N
ATOM 162 CZ ARG A 21 -0.612 -10.001 -20.616 1.00 19.54 C
ATOM 163 NH1 ARG A 21 -1.543 -9.058 -20.613 1.00 19.54 N
ATOM 164 NH2 ARG A 21 -0.972 -11.279 -20.494 1.00 19.54 N
ATOM 165 N TYR A 22 2.353 -6.040 -26.040 1.00 19.65 N
ATOM 166 CA TYR A 22 1.437 -6.001 -27.167 1.00 19.65 C
ATOM 167 C TYR A 22 0.670 -7.336 -27.252 1.00 19.65 C
ATOM 168 O TYR A 22 1.270 -8.399 -27.418 1.00 19.65 O
ATOM 169 CB TYR A 22 2.227 -5.793 -28.439 1.00 19.65 C
ATOM 170 CG TYR A 22 1.572 -6.399 -29.643 1.00 19.65 C
ATOM 171 CD1 TYR A 22 0.555 -5.733 -30.311 1.00 19.65 C
ATOM 172 CD2 TYR A 22 1.963 -7.645 -30.114 1.00 19.65 C
ATOM 173 CE1 TYR A 22 -0.051 -6.290 -31.409 1.00 19.65 C
ATOM 174 CE2 TYR A 22 1.362 -8.203 -31.211 1.00 19.65 C
ATOM 175 CZ TYR A 22 0.360 -7.521 -31.851 1.00 19.65 C
ATOM 176 OH TYR A 22 -0.223 -8.085 -32.947 1.00 19.65 O
ATOM 177 N ILE A 23 -0.654 -7.270 -27.162 1.00 18.37 N
ATOM 178 CA ILE A 23 -1.517 -8.448 -27.210 1.00 18.37 C
ATOM 179 C ILE A 23 -2.572 -8.261 -28.296 1.00 18.37 C
ATOM 180 O ILE A 23 -3.279 -7.246 -28.309 1.00 18.37 O
ATOM 181 CB ILE A 23 -2.243 -8.607 -25.868 1.00 18.37 C
ATOM 182 CG1 ILE A 23 -1.232 -8.820 -24.743 1.00 18.37 C
ATOM 183 CG2 ILE A 23 -3.254 -9.706 -25.948 1.00 18.37 C
ATOM 184 CD1 ILE A 23 -1.882 -9.220 -23.464 1.00 18.37 C
ATOM 185 N SER A 24 -2.694 -9.221 -29.206 1.00 4.40 N
ATOM 186 CA SER A 24 -3.678 -9.112 -30.281 1.00 4.40 C
ATOM 187 C SER A 24 -4.752 -10.156 -30.042 1.00 4.40 C
ATOM 188 O SER A 24 -4.520 -11.118 -29.311 1.00 4.40 O
ATOM 189 CB SER A 24 -3.003 -9.342 -31.627 1.00 4.40 C
ATOM 190 OG SER A 24 -3.879 -9.111 -32.720 1.00 4.40 O
ATOM 191 N VAL A 25 -5.913 -9.986 -30.675 1.00 2.00 N
ATOM 192 CA VAL A 25 -7.055 -10.895 -30.517 1.00 2.00 C
ATOM 193 C VAL A 25 -7.884 -10.809 -31.776 1.00 2.00 C
ATOM 194 O VAL A 25 -7.986 -9.726 -32.343 1.00 2.00 O
ATOM 195 CB VAL A 25 -7.988 -10.387 -29.384 1.00 2.00 C
ATOM 196 CG1 VAL A 25 -8.495 -11.533 -28.545 1.00 2.00 C
ATOM 197 CG2 VAL A 25 -7.293 -9.340 -28.520 1.00 2.00 C
ATOM 198 N GLY A 26 -8.608 -11.866 -32.130 1.00 9.57 N
ATOM 199 CA GLY A 26 -9.428 -11.790 -33.341 1.00 9.57 C
ATOM 200 C GLY A 26 -10.859 -12.293 -33.232 1.00 9.57 C
ATOM 201 O GLY A 26 -11.047 -13.402 -32.754 1.00 9.57 O
ATOM 202 N TYR A 27 -11.834 -11.581 -33.793 1.00 2.00 N
ATOM 203 CA TYR A 27 -13.245 -11.993 -33.662 1.00 2.00 C
ATOM 204 C TYR A 27 -13.993 -12.138 -34.991 1.00 2.00 C
ATOM 205 O TYR A 27 -13.679 -11.443 -35.929 1.00 2.00 O
ATOM 206 CB TYR A 27 -14.044 -10.972 -32.795 1.00 2.00 C
ATOM 207 CG TYR A 27 -13.482 -10.806 -31.398 1.00 2.00 C
ATOM 208 CD1 TYR A 27 -13.882 -11.642 -30.365 1.00 2.00 C
ATOM 209 CD2 TYR A 27 -12.550 -9.814 -31.112 1.00 2.00 C
ATOM 210 CE1 TYR A 27 -13.351 -11.517 -29.095 1.00 2.00 C
ATOM 211 CE2 TYR A 27 -12.019 -9.676 -29.841 1.00 2.00 C
ATOM 212 CZ TYR A 27 -12.418 -10.536 -28.839 1.00 2.00 C
ATOM 213 OH TYR A 27 -11.878 -10.422 -27.578 1.00 2.00 O
ATOM 214 N VAL A 28 -14.949 -13.060 -35.063 1.00 2.00 N
ATOM 215 CA VAL A 28 -15.816 -13.312 -36.215 1.00 2.00 C
ATOM 216 C VAL A 28 -17.197 -13.350 -35.569 1.00 2.00 C
ATOM 217 O VAL A 28 -17.573 -14.324 -34.888 1.00 2.00 O
ATOM 218 CB VAL A 28 -15.578 -14.689 -36.857 1.00 2.00 C
ATOM 219 CG1 VAL A 28 -14.266 -14.738 -37.556 1.00 2.00 C
ATOM 220 CG2 VAL A 28 -15.585 -15.777 -35.821 1.00 2.00 C
ATOM 221 N ASP A 29 -17.931 -12.251 -35.685 1.00 48.78 N
ATOM 222 CA ASP A 29 -19.264 -12.177 -35.065 1.00 48.78 C
ATOM 223 C ASP A 29 -19.185 -12.356 -33.564 1.00 48.78 C
ATOM 224 O ASP A 29 -19.611 -13.390 -33.057 1.00 48.78 O
ATOM 225 CB ASP A 29 -20.189 -13.302 -35.546 1.00 48.78 C
ATOM 226 CG ASP A 29 -20.562 -13.190 -37.000 1.00 48.78 C
ATOM 227 OD1 ASP A 29 -20.277 -12.150 -37.637 1.00 48.78 O
ATOM 228 OD2 ASP A 29 -21.147 -14.167 -37.471 1.00 48.78 O
ATOM 229 N ASN A 30 -18.558 -11.429 -32.852 1.00 86.68 N
ATOM 230 CA ASN A 30 -18.515 -11.564 -31.395 1.00 86.68 C
ATOM 231 C ASN A 30 -17.836 -12.860 -30.888 1.00 86.68 C
ATOM 232 O ASN A 30 -17.808 -13.102 -29.680 1.00 86.68 O
ATOM 233 CB ASN A 30 -19.953 -11.470 -30.833 1.00 86.68 C
ATOM 234 CG ASN A 30 -20.707 -10.182 -31.279 1.00 86.68 C
ATOM 235 OD1 ASN A 30 -20.236 -9.067 -31.027 1.00 86.68 O
ATOM 236 ND2 ASN A 30 -21.857 -10.337 -31.955 1.00 86.68 N
ATOM 237 N LYS A 31 -17.301 -13.704 -31.779 1.00 16.49 N
ATOM 238 CA LYS A 31 -16.628 -14.961 -31.383 1.00 16.49 C
ATOM 239 C LYS A 31 -15.085 -14.952 -31.549 1.00 16.49 C
ATOM 240 O LYS A 31 -14.562 -14.907 -32.657 1.00 16.49 O
ATOM 241 CB LYS A 31 -17.214 -16.103 -32.168 1.00 16.49 C
ATOM 242 CG LYS A 31 -17.131 -17.396 -31.434 1.00 16.49 C
ATOM 243 CD LYS A 31 -18.176 -17.463 -30.298 1.00 16.49 C
ATOM 244 CE LYS A 31 -18.377 -18.913 -29.834 1.00 16.49 C
ATOM 245 NZ LYS A 31 -19.500 -19.091 -28.892 1.00 16.49 N
ATOM 246 N GLU A 32 -14.353 -15.038 -30.438 1.00 20.04 N
ATOM 247 CA GLU A 32 -12.887 -14.946 -30.468 1.00 20.04 C
ATOM 248 C GLU A 32 -12.150 -16.140 -31.057 1.00 20.04 C
ATOM 249 O GLU A 32 -12.130 -17.189 -30.430 1.00 20.04 O
ATOM 250 CB GLU A 32 -12.308 -14.674 -29.059 1.00 20.04 C
ATOM 251 CG GLU A 32 -10.779 -14.707 -29.049 1.00 20.04 C
ATOM 252 CD GLU A 32 -10.085 -14.490 -27.706 1.00 20.04 C
ATOM 253 OE1 GLU A 32 -10.674 -13.974 -26.745 1.00 20.04 O
ATOM 254 OE2 GLU A 32 -8.891 -14.813 -27.620 1.00 20.04 O
ATOM 255 N PHE A 33 -11.403 -15.980 -32.144 1.00 26.85 N
ATOM 256 CA PHE A 33 -10.696 -17.159 -32.640 1.00 26.85 C
ATOM 257 C PHE A 33 -9.163 -17.222 -32.598 1.00 26.85 C
ATOM 258 O PHE A 33 -8.606 -18.276 -32.900 1.00 26.85 O
ATOM 259 CB PHE A 33 -11.197 -17.564 -34.010 1.00 26.85 C
ATOM 260 CG PHE A 33 -10.695 -16.705 -35.102 1.00 26.85 C
ATOM 261 CD1 PHE A 33 -11.310 -15.504 -35.373 1.00 26.85 C
ATOM 262 CD2 PHE A 33 -9.642 -17.125 -35.904 1.00 26.85 C
ATOM 263 CE1 PHE A 33 -10.895 -14.735 -36.433 1.00 26.85 C
ATOM 264 CE2 PHE A 33 -9.213 -16.358 -36.976 1.00 26.85 C
ATOM 265 CZ PHE A 33 -9.839 -15.161 -37.244 1.00 26.85 C
ATOM 266 N VAL A 34 -8.483 -16.095 -32.376 1.00 7.15 N
ATOM 267 CA VAL A 34 -7.005 -16.078 -32.286 1.00 7.15 C
ATOM 268 C VAL A 34 -6.495 -15.001 -31.361 1.00 7.15 C
ATOM 269 O VAL A 34 -7.057 -13.901 -31.310 1.00 7.15 O
ATOM 270 CB VAL A 34 -6.275 -15.909 -33.672 1.00 7.15 C
ATOM 271 CG1 VAL A 34 -6.335 -17.223 -34.443 1.00 7.15 C
ATOM 272 CG2 VAL A 34 -6.914 -14.775 -34.494 1.00 7.15 C
ATOM 273 N ARG A 35 -5.494 -15.324 -30.564 1.00 12.16 N
ATOM 274 CA ARG A 35 -4.945 -14.309 -29.680 1.00 12.16 C
ATOM 275 C ARG A 35 -3.464 -14.482 -29.590 1.00 12.16 C
ATOM 276 O ARG A 35 -2.951 -15.631 -29.499 1.00 12.16 O
ATOM 277 CB ARG A 35 -5.502 -14.376 -28.258 1.00 12.16 C
ATOM 278 CG ARG A 35 -4.557 -13.701 -27.243 1.00 12.16 C
ATOM 279 CD ARG A 35 -5.126 -13.615 -25.886 1.00 12.16 C
ATOM 280 NE ARG A 35 -6.283 -12.749 -25.892 1.00 12.16 N
ATOM 281 CZ ARG A 35 -7.436 -13.063 -25.326 1.00 12.16 C
ATOM 282 NH1 ARG A 35 -7.609 -14.206 -24.710 1.00 12.16 N
ATOM 283 NH2 ARG A 35 -8.440 -12.215 -25.377 1.00 12.16 N
ATOM 284 N PHE A 36 -2.787 -13.338 -29.614 1.00 9.07 N
ATOM 285 CA PHE A 36 -1.351 -13.335 -29.493 1.00 9.07 C
ATOM 286 C PHE A 36 -1.034 -12.778 -28.100 1.00 9.07 C
ATOM 287 O PHE A 36 -1.915 -12.247 -27.464 1.00 9.07 O
ATOM 288 CB PHE A 36 -0.727 -12.528 -30.619 1.00 9.07 C
ATOM 289 CG PHE A 36 0.770 -12.582 -30.614 1.00 9.07 C
ATOM 290 CD1 PHE A 36 1.510 -11.649 -29.883 1.00 9.07 C
ATOM 291 CD2 PHE A 36 1.439 -13.561 -31.325 1.00 9.07 C
ATOM 292 CE1 PHE A 36 2.884 -11.676 -29.861 1.00 9.07 C
ATOM 293 CE2 PHE A 36 2.822 -13.607 -31.314 1.00 9.07 C
ATOM 294 CZ PHE A 36 3.552 -12.654 -30.578 1.00 9.07 C
ATOM 295 N ASP A 37 0.195 -12.852 -27.622 1.00 2.00 N
ATOM 296 CA ASP A 37 0.402 -12.350 -26.290 1.00 2.00 C
ATOM 297 C ASP A 37 1.897 -12.233 -26.028 1.00 2.00 C
ATOM 298 O ASP A 37 2.562 -13.157 -25.504 1.00 2.00 O
ATOM 299 CB ASP A 37 -0.286 -13.346 -25.347 1.00 2.00 C
ATOM 300 CG ASP A 37 -0.806 -12.710 -24.093 1.00 2.00 C
ATOM 301 OD1 ASP A 37 0.073 -12.221 -23.374 1.00 2.00 O
ATOM 302 OD2 ASP A 37 -2.047 -12.748 -23.823 1.00 2.00 O
ATOM 303 N SER A 38 2.408 -11.064 -26.369 1.00 34.77 N
ATOM 304 CA SER A 38 3.826 -10.766 -26.248 1.00 34.77 C
ATOM 305 C SER A 38 4.480 -10.872 -24.882 1.00 34.77 C
ATOM 306 O SER A 38 5.468 -10.200 -24.618 1.00 34.77 O
ATOM 307 CB SER A 38 4.147 -9.403 -26.880 1.00 34.77 C
ATOM 308 OG SER A 38 3.515 -8.319 -26.213 1.00 34.77 O
ATOM 309 N ASP A 39 3.953 -11.700 -24.002 1.00 29.62 N
ATOM 310 CA ASP A 39 4.600 -11.849 -22.722 1.00 29.62 C
ATOM 311 C ASP A 39 4.822 -13.340 -22.485 1.00 29.62 C
ATOM 312 O ASP A 39 5.519 -13.728 -21.551 1.00 29.62 O
ATOM 313 CB ASP A 39 3.758 -11.231 -21.596 1.00 29.62 C
ATOM 314 CG ASP A 39 4.591 -10.888 -20.371 1.00 29.62 C
ATOM 315 OD1 ASP A 39 5.102 -11.834 -19.721 1.00 29.62 O
ATOM 316 OD2 ASP A 39 4.743 -9.681 -20.057 1.00 29.62 O
ATOM 317 N ALA A 40 4.305 -14.171 -23.383 1.00 47.52 N
ATOM 318 CA ALA A 40 4.431 -15.605 -23.210 1.00 47.52 C
ATOM 319 C ALA A 40 5.837 -16.131 -23.526 1.00 47.52 C
ATOM 320 O ALA A 40 6.523 -15.600 -24.413 1.00 47.52 O
ATOM 321 CB ALA A 40 3.380 -16.313 -24.046 1.00 47.52 C
ATOM 322 N GLU A 41 6.224 -17.210 -22.834 1.00 72.78 N
ATOM 323 CA GLU A 41 7.536 -17.861 -23.005 1.00 72.78 C
ATOM 324 C GLU A 41 7.865 -18.046 -24.494 1.00 72.78 C
ATOM 325 O GLU A 41 9.033 -18.011 -24.890 1.00 72.78 O
ATOM 326 CB GLU A 41 7.529 -19.220 -22.297 1.00 72.78 C
ATOM 327 CG GLU A 41 8.896 -19.828 -22.000 1.00 72.78 C
ATOM 328 CD GLU A 41 8.796 -21.257 -21.430 1.00 72.78 C
ATOM 329 OE1 GLU A 41 8.157 -21.440 -20.365 1.00 72.78 O
ATOM 330 OE2 GLU A 41 9.377 -22.194 -22.036 1.00 72.78 O
ATOM 331 N ASN A 42 6.822 -18.307 -25.285 1.00 48.52 N
ATOM 332 CA ASN A 42 6.932 -18.473 -26.729 1.00 48.52 C
ATOM 333 C ASN A 42 5.797 -17.709 -27.355 1.00 48.52 C
ATOM 334 O ASN A 42 4.646 -18.109 -27.212 1.00 48.52 O
ATOM 335 CB ASN A 42 6.792 -19.936 -27.131 1.00 48.52 C
ATOM 336 CG ASN A 42 7.436 -20.230 -28.464 1.00 48.52 C
ATOM 337 OD1 ASN A 42 6.808 -20.769 -29.360 1.00 48.52 O
ATOM 338 ND2 ASN A 42 8.723 -19.882 -28.590 1.00 48.52 N
ATOM 339 N PRO A 43 6.095 -16.609 -28.067 1.00 16.08 N
ATOM 340 CA PRO A 43 5.030 -15.838 -28.688 1.00 16.08 C
ATOM 341 C PRO A 43 4.464 -16.676 -29.813 1.00 16.08 C
ATOM 342 O PRO A 43 5.194 -17.021 -30.736 1.00 16.08 O
ATOM 343 CB PRO A 43 5.764 -14.600 -29.222 1.00 16.08 C
ATOM 344 CG PRO A 43 7.149 -14.654 -28.626 1.00 16.08 C
ATOM 345 CD PRO A 43 7.405 -16.128 -28.523 1.00 16.08 C
ATOM 346 N ARG A 44 3.174 -16.990 -29.746 1.00 29.24 N
ATOM 347 CA ARG A 44 2.507 -17.835 -30.750 1.00 29.24 C
ATOM 348 C ARG A 44 1.047 -17.482 -30.893 1.00 29.24 C
ATOM 349 O ARG A 44 0.371 -17.308 -29.889 1.00 29.24 O
ATOM 350 CB ARG A 44 2.529 -19.303 -30.286 1.00 29.24 C
ATOM 351 CG ARG A 44 3.722 -20.129 -30.732 1.00 29.24 C
ATOM 352 CD ARG A 44 3.640 -20.430 -32.213 1.00 29.24 C
ATOM 353 NE ARG A 44 4.949 -20.320 -32.835 1.00 29.24 N
ATOM 354 CZ ARG A 44 5.144 -19.909 -34.081 1.00 29.24 C
ATOM 355 NH1 ARG A 44 4.104 -19.563 -34.830 1.00 29.24 N
ATOM 356 NH2 ARG A 44 6.366 -19.870 -34.592 1.00 29.24 N
ATOM 357 N TYR A 45 0.547 -17.442 -32.120 1.00 14.75 N
ATOM 358 CA TYR A 45 -0.872 -17.160 -32.345 1.00 14.75 C
ATOM 359 C TYR A 45 -1.731 -18.463 -32.219 1.00 14.75 C
ATOM 360 O TYR A 45 -2.103 -19.108 -33.225 1.00 14.75 O
ATOM 361 CB TYR A 45 -1.076 -16.508 -33.694 1.00 14.75 C
ATOM 362 CG TYR A 45 -1.444 -15.053 -33.878 1.00 14.75 C
ATOM 363 CD1 TYR A 45 -0.465 -14.073 -33.963 1.00 14.75 C
ATOM 364 CD2 TYR A 45 -2.770 -14.673 -34.048 1.00 14.75 C
ATOM 365 CE1 TYR A 45 -0.796 -12.754 -34.219 1.00 14.75 C
ATOM 366 CE2 TYR A 45 -3.110 -13.360 -34.311 1.00 14.75 C
ATOM 367 CZ TYR A 45 -2.119 -12.406 -34.400 1.00 14.75 C
ATOM 368 OH TYR A 45 -2.454 -11.100 -34.676 1.00 14.75 O
ATOM 369 N GLU A 46 -2.101 -18.782 -30.974 1.00 34.75 N
ATOM 370 CA GLU A 46 -2.864 -19.988 -30.637 1.00 34.75 C
ATOM 371 C GLU A 46 -4.344 -19.922 -30.972 1.00 34.75 C
ATOM 372 O GLU A 46 -4.999 -18.912 -30.693 1.00 34.75 O
ATOM 373 CB GLU A 46 -2.675 -20.331 -29.150 1.00 34.75 C
ATOM 374 CG GLU A 46 -1.237 -20.747 -28.782 1.00 34.75 C
ATOM 375 CD GLU A 46 -0.735 -20.164 -27.461 1.00 34.75 C
ATOM 376 OE1 GLU A 46 -1.445 -19.323 -26.874 1.00 34.75 O
ATOM 377 OE2 GLU A 46 0.383 -20.536 -27.020 1.00 34.75 O
ATOM 378 N PRO A 47 -4.910 -21.021 -31.506 1.00 9.75 N
ATOM 379 CA PRO A 47 -6.318 -21.084 -31.876 1.00 9.75 C
ATOM 380 C PRO A 47 -7.218 -21.172 -30.655 1.00 9.75 C
ATOM 381 O PRO A 47 -6.941 -21.896 -29.686 1.00 9.75 O
ATOM 382 CB PRO A 47 -6.411 -22.368 -32.713 1.00 9.75 C
ATOM 383 CG PRO A 47 -5.019 -22.815 -32.879 1.00 9.75 C
ATOM 384 CD PRO A 47 -4.327 -22.352 -31.648 1.00 9.75 C
ATOM 385 N GLN A 48 -8.270 -20.376 -30.701 1.00 24.96 N
ATOM 386 CA GLN A 48 -9.259 -20.289 -29.654 1.00 24.96 C
ATOM 387 C GLN A 48 -10.393 -21.129 -30.130 1.00 24.96 C
ATOM 388 O GLN A 48 -10.713 -22.119 -29.548 1.00 24.96 O
ATOM 389 CB GLN A 48 -9.665 -18.829 -29.488 1.00 24.96 C
ATOM 390 CG GLN A 48 -8.462 -17.971 -29.127 1.00 24.96 C
ATOM 391 CD GLN A 48 -7.815 -18.447 -27.857 1.00 24.96 C
ATOM 392 OE1 GLN A 48 -8.486 -18.624 -26.833 1.00 24.96 O
ATOM 393 NE2 GLN A 48 -6.516 -18.692 -27.910 1.00 24.96 N
ATOM 394 N ALA A 49 -10.949 -20.764 -31.263 1.00 13.16 N
ATOM 395 CA ALA A 49 -12.013 -21.530 -31.840 1.00 13.16 C
ATOM 396 C ALA A 49 -11.367 -22.901 -32.129 1.00 13.16 C
ATOM 397 O ALA A 49 -10.127 -23.050 -32.065 1.00 13.16 O
ATOM 398 CB ALA A 49 -12.429 -20.894 -33.108 1.00 13.16 C
ATOM 399 N PRO A 50 -12.200 -23.940 -32.310 1.00 9.82 N
ATOM 400 CA PRO A 50 -11.753 -25.306 -32.603 1.00 9.82 C
ATOM 401 C PRO A 50 -11.444 -25.404 -34.084 1.00 9.82 C
ATOM 402 O PRO A 50 -10.466 -26.026 -34.494 1.00 9.82 O
ATOM 403 CB PRO A 50 -12.996 -26.139 -32.288 1.00 9.82 C
ATOM 404 CG PRO A 50 -13.732 -25.316 -31.266 1.00 9.82 C
ATOM 405 CD PRO A 50 -13.601 -23.948 -31.844 1.00 9.82 C
ATOM 406 N TRP A 51 -12.318 -24.801 -34.873 1.00 21.46 N
ATOM 407 CA TRP A 51 -12.235 -24.781 -36.324 1.00 21.46 C
ATOM 408 C TRP A 51 -10.976 -24.154 -36.956 1.00 21.46 C
ATOM 409 O TRP A 51 -10.811 -24.169 -38.187 1.00 21.46 O
ATOM 410 CB TRP A 51 -13.507 -24.146 -36.889 1.00 21.46 C
ATOM 411 CG TRP A 51 -13.925 -22.887 -36.197 1.00 21.46 C
ATOM 412 CD1 TRP A 51 -14.507 -22.788 -34.976 1.00 21.46 C
ATOM 413 CD2 TRP A 51 -13.769 -21.541 -36.680 1.00 21.46 C
ATOM 414 NE1 TRP A 51 -14.718 -21.464 -34.651 1.00 21.46 N
ATOM 415 CE2 TRP A 51 -14.270 -20.675 -35.671 1.00 21.46 C
ATOM 416 CE3 TRP A 51 -13.254 -20.983 -37.857 1.00 21.46 C
ATOM 417 CZ2 TRP A 51 -14.269 -19.287 -35.799 1.00 21.46 C
ATOM 418 CZ3 TRP A 51 -13.256 -19.597 -37.981 1.00 21.46 C
ATOM 419 CH2 TRP A 51 -13.762 -18.768 -36.950 1.00 21.46 C
ATOM 420 N MET A 52 -10.083 -23.639 -36.108 1.00 16.05 N
ATOM 421 CA MET A 52 -8.840 -23.012 -36.550 1.00 16.05 C
ATOM 422 C MET A 52 -7.644 -23.950 -36.373 1.00 16.05 C
ATOM 423 O MET A 52 -6.469 -23.503 -36.469 1.00 16.05 O
ATOM 424 CB MET A 52 -8.578 -21.746 -35.751 1.00 16.05 C
ATOM 425 CG MET A 52 -8.001 -20.626 -36.563 1.00 16.05 C
ATOM 426 SD MET A 52 -9.076 -20.143 -37.944 1.00 16.05 S
ATOM 427 CE MET A 52 -7.931 -19.262 -38.917 1.00 16.05 C
ATOM 428 N GLU A 53 -7.902 -25.210 -36.012 1.00 16.17 N
ATOM 429 CA GLU A 53 -6.802 -26.157 -35.862 1.00 16.17 C
ATOM 430 C GLU A 53 -6.527 -26.708 -37.220 1.00 16.17 C
ATOM 431 O GLU A 53 -5.374 -26.862 -37.600 1.00 16.17 O
ATOM 432 CB GLU A 53 -7.174 -27.317 -34.972 1.00 16.17 C
ATOM 433 CG GLU A 53 -6.871 -27.152 -33.498 1.00 16.17 C
ATOM 434 CD GLU A 53 -7.794 -28.036 -32.690 1.00 16.17 C
ATOM 435 OE1 GLU A 53 -7.753 -29.265 -32.880 1.00 16.17 O
ATOM 436 OE2 GLU A 53 -8.612 -27.503 -31.927 1.00 16.17 O
ATOM 437 N GLN A 54 -7.600 -26.915 -37.979 1.00 25.74 N
ATOM 438 CA GLN A 54 -7.536 -27.466 -39.324 1.00 25.74 C
ATOM 439 C GLN A 54 -6.762 -26.642 -40.381 1.00 25.74 C
ATOM 440 O GLN A 54 -6.789 -26.980 -41.563 1.00 25.74 O
ATOM 441 CB GLN A 54 -8.959 -27.733 -39.825 1.00 25.74 C
ATOM 442 CG GLN A 54 -9.641 -28.984 -39.231 1.00 25.74 C
ATOM 443 CD GLN A 54 -11.154 -29.078 -39.570 1.00 25.74 C
ATOM 444 OE1 GLN A 54 -11.993 -29.133 -38.666 1.00 25.74 O
ATOM 445 NE2 GLN A 54 -11.491 -29.138 -40.860 1.00 25.74 N
ATOM 446 N GLU A 55 -6.024 -25.616 -39.983 1.00 9.72 N
ATOM 447 CA GLU A 55 -5.315 -24.790 -40.964 1.00 9.72 C
ATOM 448 C GLU A 55 -3.964 -25.301 -41.391 1.00 9.72 C
ATOM 449 O GLU A 55 -3.713 -25.512 -42.582 1.00 9.72 O
ATOM 450 CB GLU A 55 -5.126 -23.349 -40.443 1.00 9.72 C
ATOM 451 CG GLU A 55 -6.407 -22.534 -40.262 1.00 9.72 C
ATOM 452 CD GLU A 55 -7.206 -22.346 -41.541 1.00 9.72 C
ATOM 453 OE1 GLU A 55 -6.620 -22.356 -42.652 1.00 9.72 O
ATOM 454 OE2 GLU A 55 -8.435 -22.188 -41.407 1.00 9.72 O
ATOM 455 N GLY A 56 -3.083 -25.451 -40.408 1.00 20.93 N
ATOM 456 CA GLY A 56 -1.744 -25.887 -40.713 1.00 20.93 C
ATOM 457 C GLY A 56 -0.745 -24.873 -40.235 1.00 20.93 C
ATOM 458 O GLY A 56 -1.149 -23.771 -39.841 1.00 20.93 O
ATOM 459 N PRO A 57 0.561 -25.244 -40.187 1.00 25.86 N
ATOM 460 CA PRO A 57 1.728 -24.462 -39.766 1.00 25.86 C
ATOM 461 C PRO A 57 2.143 -23.446 -40.844 1.00 25.86 C
ATOM 462 O PRO A 57 2.772 -22.422 -40.556 1.00 25.86 O
ATOM 463 CB PRO A 57 2.804 -25.536 -39.552 1.00 25.86 C
ATOM 464 CG PRO A 57 2.028 -26.835 -39.364 1.00 25.86 C
ATOM 465 CD PRO A 57 0.972 -26.652 -40.418 1.00 25.86 C
ATOM 466 N GLU A 58 1.717 -23.721 -42.073 1.00 21.54 N
ATOM 467 CA GLU A 58 1.979 -22.860 -43.233 1.00 21.54 C
ATOM 468 C GLU A 58 1.367 -21.491 -42.906 1.00 21.54 C
ATOM 469 O GLU A 58 1.983 -20.434 -43.132 1.00 21.54 O
ATOM 470 CB GLU A 58 1.268 -23.439 -44.462 1.00 21.54 C
ATOM 471 CG GLU A 58 1.331 -24.990 -44.587 1.00 21.54 C
ATOM 472 CD GLU A 58 2.430 -25.508 -45.527 1.00 21.54 C
ATOM 473 OE1 GLU A 58 3.623 -25.319 -45.226 1.00 21.54 O
ATOM 474 OE2 GLU A 58 2.100 -26.130 -46.560 1.00 21.54 O
ATOM 475 N TYR A 59 0.175 -21.543 -42.301 1.00 17.60 N
ATOM 476 CA TYR A 59 -0.645 -20.378 -41.903 1.00 17.60 C
ATOM 477 C TYR A 59 -0.386 -19.892 -40.479 1.00 17.60 C
ATOM 478 O TYR A 59 -0.676 -18.744 -40.156 1.00 17.60 O
ATOM 479 CB TYR A 59 -2.146 -20.716 -42.099 1.00 17.60 C
ATOM 480 CG TYR A 59 -3.126 -19.709 -41.563 1.00 17.60 C
ATOM 481 CD1 TYR A 59 -3.507 -19.740 -40.223 1.00 17.60 C
ATOM 482 CD2 TYR A 59 -3.654 -18.717 -42.381 1.00 17.60 C
ATOM 483 CE1 TYR A 59 -4.383 -18.798 -39.693 1.00 17.60 C
ATOM 484 CE2 TYR A 59 -4.540 -17.773 -41.860 1.00 17.60 C
ATOM 485 CZ TYR A 59 -4.890 -17.818 -40.508 1.00 17.60 C
ATOM 486 OH TYR A 59 -5.685 -16.852 -39.941 1.00 17.60 O
ATOM 487 N TRP A 60 0.172 -20.753 -39.642 1.00 12.53 N
ATOM 488 CA TRP A 60 0.463 -20.393 -38.282 1.00 12.53 C
ATOM 489 C TRP A 60 1.765 -19.663 -38.148 1.00 12.53 C
ATOM 490 O TRP A 60 2.040 -19.112 -37.084 1.00 12.53 O
ATOM 491 CB TRP A 60 0.526 -21.619 -37.411 1.00 12.53 C
ATOM 492 CG TRP A 60 -0.765 -21.989 -36.776 1.00 12.53 C
ATOM 493 CD1 TRP A 60 -1.094 -23.215 -36.273 1.00 12.53 C
ATOM 494 CD2 TRP A 60 -1.897 -21.134 -36.545 1.00 12.53 C
ATOM 495 NE1 TRP A 60 -2.361 -23.177 -35.749 1.00 12.53 N
ATOM 496 CE2 TRP A 60 -2.875 -21.917 -35.897 1.00 12.53 C
ATOM 497 CE3 TRP A 60 -2.177 -19.789 -36.820 1.00 12.53 C
ATOM 498 CZ2 TRP A 60 -4.115 -21.399 -35.524 1.00 12.53 C
ATOM 499 CZ3 TRP A 60 -3.387 -19.283 -36.459 1.00 12.53 C
ATOM 500 CH2 TRP A 60 -4.350 -20.084 -35.810 1.00 12.53 C
ATOM 501 N GLU A 61 2.610 -19.761 -39.177 1.00 12.01 N
ATOM 502 CA GLU A 61 3.908 -19.074 -39.225 1.00 12.01 C
ATOM 503 C GLU A 61 3.680 -17.689 -39.824 1.00 12.01 C
ATOM 504 O GLU A 61 3.953 -16.640 -39.185 1.00 12.01 O
ATOM 505 CB GLU A 61 4.869 -19.834 -40.139 1.00 12.01 C