HEADER LIGASE/LIGASE INHIBITOR 16-FEB-19 6O0H
TITLE CRYO-EM STRUCTURE OF HUMAN ATP-CITRATE LYASE IN COMPLEX WITH INHIBITOR
TITLE 2 NDI-091143
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ATP-CITRATE SYNTHASE;
COMPND 3 CHAIN: A, B, C, D;
COMPND 4 SYNONYM: ATP-CITRATE (PRO-S-)-LYASE,ACL,CITRATE CLEAVAGE ENZYME;
COMPND 5 EC: 2.3.3.8;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: ACLY;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 STAR
KEYWDS ATP-CITRATE LYASE, LIGASE, LIGASE-LIGASE INHIBITOR COMPLEX
EXPDTA ELECTRON MICROSCOPY
AUTHOR J.WEI,L.TONG
REVDAT 4 20-MAR-24 6O0H 1 REMARK
REVDAT 3 08-JAN-20 6O0H 1 REMARK
REVDAT 2 08-MAY-19 6O0H 1 JRNL
REVDAT 1 17-APR-19 6O0H 0
JRNL AUTH J.WEI,S.LEIT,J.KUAI,E.THERRIEN,S.RAFI,H.J.HARWOOD JR.,
JRNL AUTH 2 B.DELABARRE,L.TONG
JRNL TITL AN ALLOSTERIC MECHANISM FOR POTENT INHIBITION OF HUMAN
JRNL TITL 2 ATP-CITRATE LYASE.
JRNL REF NATURE V. 568 566 2019
JRNL REFN ESSN 1476-4687
JRNL PMID 30944472
JRNL DOI 10.1038/S41586-019-1094-6
REMARK 2
REMARK 2 RESOLUTION. 3.67 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 SOFTWARE PACKAGES : GAUTOMATCH, LEGINON, CTFFIND, COOT,
REMARK 3 RELION, RELION, RELION, RELION, PHENIX
REMARK 3 RECONSTRUCTION SCHEMA : NULL
REMARK 3
REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT
REMARK 3 PDB ENTRY : NULL
REMARK 3 REFINEMENT SPACE : NULL
REMARK 3 REFINEMENT PROTOCOL : AB INITIO MODEL
REMARK 3 REFINEMENT TARGET : NULL
REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL
REMARK 3
REMARK 3 FITTING PROCEDURE : NULL
REMARK 3
REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS
REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL
REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL
REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 3.670
REMARK 3 NUMBER OF PARTICLES : 11452
REMARK 3 CTF CORRECTION METHOD : NONE
REMARK 3
REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL
REMARK 3
REMARK 3 OTHER DETAILS: NULL
REMARK 4
REMARK 4 6O0H COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-FEB-19.
REMARK 100 THE DEPOSITION ID IS D_1000239735.
REMARK 245
REMARK 245 EXPERIMENTAL DETAILS
REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE
REMARK 245 SPECIMEN TYPE : NULL
REMARK 245
REMARK 245 ELECTRON MICROSCOPE SAMPLE
REMARK 245 SAMPLE TYPE : PARTICLE
REMARK 245 PARTICLE TYPE : POINT
REMARK 245 NAME OF SAMPLE : PROTEIN-INHIBITOR COMPLEX
REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 4.70
REMARK 245 SAMPLE SUPPORT DETAILS : NULL
REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL
REMARK 245 SAMPLE BUFFER : NULL
REMARK 245 PH : 7.50
REMARK 245 SAMPLE DETAILS : NULL
REMARK 245
REMARK 245 DATA ACQUISITION
REMARK 245 DATE OF EXPERIMENT : NULL
REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : 2803
REMARK 245 TEMPERATURE (KELVIN) : NULL
REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS
REMARK 245 DETECTOR TYPE : GATAN K2 SUMMIT (4K X 4K)
REMARK 245 MINIMUM DEFOCUS (NM) : -800.00
REMARK 245 MAXIMUM DEFOCUS (NM) : -2000.00
REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL
REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL
REMARK 245 NOMINAL CS : 2.70
REMARK 245 IMAGING MODE : BRIGHT FIELD
REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 7100.00
REMARK 245 ILLUMINATION MODE : FLOOD BEAM
REMARK 245 NOMINAL MAGNIFICATION : 130000
REMARK 245 CALIBRATED MAGNIFICATION : NULL
REMARK 245 SOURCE : FIELD EMISSION GUN
REMARK 245 ACCELERATION VOLTAGE (KV) : 300
REMARK 245 IMAGING DETAILS : NULL
REMARK 247
REMARK 247 ELECTRON MICROSCOPY
REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON
REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE
REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES
REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION
REMARK 247 OF THE STRUCTURE FACTORS.
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: A, B, C, D
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 MET A 1
REMARK 465 ASN A 426
REMARK 465 GLN A 427
REMARK 465 PRO A 428
REMARK 465 PRO A 429
REMARK 465 THR A 430
REMARK 465 ALA A 431
REMARK 465 ALA A 432
REMARK 465 HIS A 433
REMARK 465 THR A 434
REMARK 465 ALA A 435
REMARK 465 ASN A 436
REMARK 465 PHE A 437
REMARK 465 LEU A 438
REMARK 465 LEU A 439
REMARK 465 ASN A 440
REMARK 465 ALA A 441
REMARK 465 SER A 442
REMARK 465 GLY A 443
REMARK 465 SER A 444
REMARK 465 THR A 445
REMARK 465 SER A 446
REMARK 465 THR A 447
REMARK 465 PRO A 448
REMARK 465 ALA A 449
REMARK 465 PRO A 450
REMARK 465 SER A 451
REMARK 465 ARG A 452
REMARK 465 THR A 453
REMARK 465 ALA A 454
REMARK 465 SER A 455
REMARK 465 PHE A 456
REMARK 465 SER A 457
REMARK 465 GLU A 458
REMARK 465 SER A 459
REMARK 465 ARG A 460
REMARK 465 ALA A 461
REMARK 465 ASP A 462
REMARK 465 GLU A 463
REMARK 465 VAL A 464
REMARK 465 ALA A 465
REMARK 465 PRO A 466
REMARK 465 ALA A 467
REMARK 465 LYS A 468
REMARK 465 LYS A 469
REMARK 465 ALA A 470
REMARK 465 LYS A 471
REMARK 465 PRO A 472
REMARK 465 ALA A 473
REMARK 465 MET A 474
REMARK 465 PRO A 475
REMARK 465 GLN A 476
REMARK 465 ASP A 477
REMARK 465 SER A 478
REMARK 465 VAL A 479
REMARK 465 PRO A 480
REMARK 465 SER A 481
REMARK 465 PRO A 482
REMARK 465 ARG A 483
REMARK 465 SER A 484
REMARK 465 LEU A 485
REMARK 465 GLN A 486
REMARK 465 SER A 753
REMARK 465 SER A 754
REMARK 465 GLU A 755
REMARK 465 VAL A 756
REMARK 465 GLN A 757
REMARK 465 PHE A 758
REMARK 465 GLY A 759
REMARK 465 HIS A 760
REMARK 465 ALA A 761
REMARK 465 GLY A 762
REMARK 465 ALA A 763
REMARK 465 CYS A 764
REMARK 465 ALA A 765
REMARK 465 ASN A 766
REMARK 465 SER A 1100
REMARK 465 MET A 1101
REMARK 465 LYS A 1102
REMARK 465 LEU A 1103
REMARK 465 ALA A 1104
REMARK 465 ALA A 1105
REMARK 465 ALA A 1106
REMARK 465 LEU A 1107
REMARK 465 GLU A 1108
REMARK 465 HIS A 1109
REMARK 465 HIS A 1110
REMARK 465 HIS A 1111
REMARK 465 HIS A 1112
REMARK 465 HIS A 1113
REMARK 465 HIS A 1114
REMARK 465 HIS A 1115
REMARK 465 HIS A 1116
REMARK 465 MET B 1
REMARK 465 ASN B 426
REMARK 465 GLN B 427
REMARK 465 PRO B 428
REMARK 465 PRO B 429
REMARK 465 THR B 430
REMARK 465 ALA B 431
REMARK 465 ALA B 432
REMARK 465 HIS B 433
REMARK 465 THR B 434
REMARK 465 ALA B 435
REMARK 465 ASN B 436
REMARK 465 PHE B 437
REMARK 465 LEU B 438
REMARK 465 LEU B 439
REMARK 465 ASN B 440
REMARK 465 ALA B 441
REMARK 465 SER B 442
REMARK 465 GLY B 443
REMARK 465 SER B 444
REMARK 465 THR B 445
REMARK 465 SER B 446
REMARK 465 THR B 447
REMARK 465 PRO B 448
REMARK 465 ALA B 449
REMARK 465 PRO B 450
REMARK 465 SER B 451
REMARK 465 ARG B 452
REMARK 465 THR B 453
REMARK 465 ALA B 454
REMARK 465 SER B 455
REMARK 465 PHE B 456
REMARK 465 SER B 457
REMARK 465 GLU B 458
REMARK 465 SER B 459
REMARK 465 ARG B 460
REMARK 465 ALA B 461
REMARK 465 ASP B 462
REMARK 465 GLU B 463
REMARK 465 VAL B 464
REMARK 465 ALA B 465
REMARK 465 PRO B 466
REMARK 465 ALA B 467
REMARK 465 LYS B 468
REMARK 465 LYS B 469
REMARK 465 ALA B 470
REMARK 465 LYS B 471
REMARK 465 PRO B 472
REMARK 465 ALA B 473
REMARK 465 MET B 474
REMARK 465 PRO B 475
REMARK 465 GLN B 476
REMARK 465 ASP B 477
REMARK 465 SER B 478
REMARK 465 VAL B 479
REMARK 465 PRO B 480
REMARK 465 SER B 481
REMARK 465 PRO B 482
REMARK 465 ARG B 483
REMARK 465 SER B 484
REMARK 465 LEU B 485
REMARK 465 GLN B 486
REMARK 465 SER B 753
REMARK 465 SER B 754
REMARK 465 GLU B 755
REMARK 465 VAL B 756
REMARK 465 GLN B 757
REMARK 465 PHE B 758
REMARK 465 GLY B 759
REMARK 465 HIS B 760
REMARK 465 ALA B 761
REMARK 465 GLY B 762
REMARK 465 ALA B 763
REMARK 465 CYS B 764
REMARK 465 ALA B 765
REMARK 465 ASN B 766
REMARK 465 SER B 1100
REMARK 465 MET B 1101
REMARK 465 LYS B 1102
REMARK 465 LEU B 1103
REMARK 465 ALA B 1104
REMARK 465 ALA B 1105
REMARK 465 ALA B 1106
REMARK 465 LEU B 1107
REMARK 465 GLU B 1108
REMARK 465 HIS B 1109
REMARK 465 HIS B 1110
REMARK 465 HIS B 1111
REMARK 465 HIS B 1112
REMARK 465 HIS B 1113
REMARK 465 HIS B 1114
REMARK 465 HIS B 1115
REMARK 465 HIS B 1116
REMARK 465 MET C 1
REMARK 465 ASN C 426
REMARK 465 GLN C 427
REMARK 465 PRO C 428
REMARK 465 PRO C 429
REMARK 465 THR C 430
REMARK 465 ALA C 431
REMARK 465 ALA C 432
REMARK 465 HIS C 433
REMARK 465 THR C 434
REMARK 465 ALA C 435
REMARK 465 ASN C 436
REMARK 465 PHE C 437
REMARK 465 LEU C 438
REMARK 465 LEU C 439
REMARK 465 ASN C 440
REMARK 465 ALA C 441
REMARK 465 SER C 442
REMARK 465 GLY C 443
REMARK 465 SER C 444
REMARK 465 THR C 445
REMARK 465 SER C 446
REMARK 465 THR C 447
REMARK 465 PRO C 448
REMARK 465 ALA C 449
REMARK 465 PRO C 450
REMARK 465 SER C 451
REMARK 465 ARG C 452
REMARK 465 THR C 453
REMARK 465 ALA C 454
REMARK 465 SER C 455
REMARK 465 PHE C 456
REMARK 465 SER C 457
REMARK 465 GLU C 458
REMARK 465 SER C 459
REMARK 465 ARG C 460
REMARK 465 ALA C 461
REMARK 465 ASP C 462
REMARK 465 GLU C 463
REMARK 465 VAL C 464
REMARK 465 ALA C 465
REMARK 465 PRO C 466
REMARK 465 ALA C 467
REMARK 465 LYS C 468
REMARK 465 LYS C 469
REMARK 465 ALA C 470
REMARK 465 LYS C 471
REMARK 465 PRO C 472
REMARK 465 ALA C 473
REMARK 465 MET C 474
REMARK 465 PRO C 475
REMARK 465 GLN C 476
REMARK 465 ASP C 477
REMARK 465 SER C 478
REMARK 465 VAL C 479
REMARK 465 PRO C 480
REMARK 465 SER C 481
REMARK 465 PRO C 482
REMARK 465 ARG C 483
REMARK 465 SER C 484
REMARK 465 LEU C 485
REMARK 465 GLN C 486
REMARK 465 SER C 753
REMARK 465 SER C 754
REMARK 465 GLU C 755
REMARK 465 VAL C 756
REMARK 465 GLN C 757
REMARK 465 PHE C 758
REMARK 465 GLY C 759
REMARK 465 HIS C 760
REMARK 465 ALA C 761
REMARK 465 GLY C 762
REMARK 465 ALA C 763
REMARK 465 CYS C 764
REMARK 465 ALA C 765
REMARK 465 ASN C 766
REMARK 465 SER C 1100
REMARK 465 MET C 1101
REMARK 465 LYS C 1102
REMARK 465 LEU C 1103
REMARK 465 ALA C 1104
REMARK 465 ALA C 1105
REMARK 465 ALA C 1106
REMARK 465 LEU C 1107
REMARK 465 GLU C 1108
REMARK 465 HIS C 1109
REMARK 465 HIS C 1110
REMARK 465 HIS C 1111
REMARK 465 HIS C 1112
REMARK 465 HIS C 1113
REMARK 465 HIS C 1114
REMARK 465 HIS C 1115
REMARK 465 HIS C 1116
REMARK 465 MET D 1
REMARK 465 ASN D 426
REMARK 465 GLN D 427
REMARK 465 PRO D 428
REMARK 465 PRO D 429
REMARK 465 THR D 430
REMARK 465 ALA D 431
REMARK 465 ALA D 432
REMARK 465 HIS D 433
REMARK 465 THR D 434
REMARK 465 ALA D 435
REMARK 465 ASN D 436
REMARK 465 PHE D 437
REMARK 465 LEU D 438
REMARK 465 LEU D 439
REMARK 465 ASN D 440
REMARK 465 ALA D 441
REMARK 465 SER D 442
REMARK 465 GLY D 443
REMARK 465 SER D 444
REMARK 465 THR D 445
REMARK 465 SER D 446
REMARK 465 THR D 447
REMARK 465 PRO D 448
REMARK 465 ALA D 449
REMARK 465 PRO D 450
REMARK 465 SER D 451
REMARK 465 ARG D 452
REMARK 465 THR D 453
REMARK 465 ALA D 454
REMARK 465 SER D 455
REMARK 465 PHE D 456
REMARK 465 SER D 457
REMARK 465 GLU D 458
REMARK 465 SER D 459
REMARK 465 ARG D 460
REMARK 465 ALA D 461
REMARK 465 ASP D 462
REMARK 465 GLU D 463
REMARK 465 VAL D 464
REMARK 465 ALA D 465
REMARK 465 PRO D 466
REMARK 465 ALA D 467
REMARK 465 LYS D 468
REMARK 465 LYS D 469
REMARK 465 ALA D 470
REMARK 465 LYS D 471
REMARK 465 PRO D 472
REMARK 465 ALA D 473
REMARK 465 MET D 474
REMARK 465 PRO D 475
REMARK 465 GLN D 476
REMARK 465 ASP D 477
REMARK 465 SER D 478
REMARK 465 VAL D 479
REMARK 465 PRO D 480
REMARK 465 SER D 481
REMARK 465 PRO D 482
REMARK 465 ARG D 483
REMARK 465 SER D 484
REMARK 465 LEU D 485
REMARK 465 GLN D 486
REMARK 465 SER D 753
REMARK 465 SER D 754
REMARK 465 GLU D 755
REMARK 465 VAL D 756
REMARK 465 GLN D 757
REMARK 465 PHE D 758
REMARK 465 GLY D 759
REMARK 465 HIS D 760
REMARK 465 ALA D 761
REMARK 465 GLY D 762
REMARK 465 ALA D 763
REMARK 465 CYS D 764
REMARK 465 ALA D 765
REMARK 465 ASN D 766
REMARK 465 SER D 1100
REMARK 465 MET D 1101
REMARK 465 LYS D 1102
REMARK 465 LEU D 1103
REMARK 465 ALA D 1104
REMARK 465 ALA D 1105
REMARK 465 ALA D 1106
REMARK 465 LEU D 1107
REMARK 465 GLU D 1108
REMARK 465 HIS D 1109
REMARK 465 HIS D 1110
REMARK 465 HIS D 1111
REMARK 465 HIS D 1112
REMARK 465 HIS D 1113
REMARK 465 HIS D 1114
REMARK 465 HIS D 1115
REMARK 465 HIS D 1116
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 LEU A 264 CA - CB - CG ANGL. DEV. = 15.8 DEGREES
REMARK 500 LEU A1074 CB - CG - CD1 ANGL. DEV. = -11.0 DEGREES
REMARK 500 LEU B 264 CA - CB - CG ANGL. DEV. = 15.9 DEGREES
REMARK 500 LEU B1074 CB - CG - CD1 ANGL. DEV. = -11.0 DEGREES
REMARK 500 LEU C 264 CA - CB - CG ANGL. DEV. = 15.9 DEGREES
REMARK 500 LEU C1074 CB - CG - CD1 ANGL. DEV. = -11.0 DEGREES
REMARK 500 LEU D 264 CA - CB - CG ANGL. DEV. = 15.9 DEGREES
REMARK 500 LEU D1074 CB - CG - CD1 ANGL. DEV. = -11.0 DEGREES
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 GLN A 61 31.70 -143.67
REMARK 500 LYS A 272 40.96 -105.19
REMARK 500 TYR A 307 111.96 -160.32
REMARK 500 ALA A 310 72.83 51.37
REMARK 500 THR A 328 38.81 -98.44
REMARK 500 PRO A 524 -178.54 -69.50
REMARK 500 ALA A 624 18.30 58.56
REMARK 500 CYS A 633 -56.17 -120.32
REMARK 500 SER A 656 14.71 -140.60
REMARK 500 THR A 696 -165.34 -79.55
REMARK 500 ASP A 706 30.69 -92.75
REMARK 500 MET A 751 32.53 -95.26
REMARK 500 ILE A 844 -57.28 -126.34
REMARK 500 ALA A 903 49.51 -90.74
REMARK 500 LEU A1003 -9.07 68.75
REMARK 500 GLN B 61 31.72 -143.67
REMARK 500 LYS B 272 41.16 -105.24
REMARK 500 TYR B 307 111.60 -160.03
REMARK 500 ALA B 310 73.03 51.51
REMARK 500 THR B 328 38.28 -97.46
REMARK 500 ALA B 624 17.80 58.91
REMARK 500 CYS B 633 -56.21 -120.21
REMARK 500 SER B 656 14.65 -140.63
REMARK 500 THR B 696 -165.37 -79.60
REMARK 500 ASP B 706 30.89 -92.81
REMARK 500 MET B 751 33.05 -93.81
REMARK 500 ILE B 844 -57.32 -126.32
REMARK 500 ALA B 903 49.57 -90.12
REMARK 500 LEU B1003 -9.08 68.75
REMARK 500 GLN C 61 31.81 -143.72
REMARK 500 LYS C 272 41.06 -105.21
REMARK 500 TYR C 307 112.11 -160.41
REMARK 500 ALA C 310 73.06 51.47
REMARK 500 THR C 328 38.54 -97.49
REMARK 500 ALA C 624 18.38 58.78
REMARK 500 CYS C 633 -56.22 -120.21
REMARK 500 SER C 656 14.69 -140.58
REMARK 500 THR C 696 -165.31 -79.57
REMARK 500 ASP C 706 30.88 -92.85
REMARK 500 MET C 751 32.11 -93.76
REMARK 500 ILE C 844 -57.51 -126.17
REMARK 500 ALA C 903 49.48 -90.17
REMARK 500 LEU C1003 -9.06 68.73
REMARK 500 GLN D 61 31.68 -143.63
REMARK 500 LYS D 272 41.24 -105.49
REMARK 500 TYR D 307 111.60 -160.50
REMARK 500 ALA D 310 73.13 51.55
REMARK 500 THR D 328 38.70 -98.36
REMARK 500 ALA D 624 18.04 58.74
REMARK 500 CYS D 633 -56.14 -120.30
REMARK 500
REMARK 500 THIS ENTRY HAS 57 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LBG A 2001
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue ADP A 2002
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LBG B 2001
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue ADP B 2002
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LBG C 2001
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue ADP C 2002
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue LBG D 2001
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: binding site for residue ADP D 2002
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: EMD-0567 RELATED DB: EMDB
REMARK 900 CRYO-EM STRUCTURE OF HUMAN ATP-CITRATE LYASE IN COMPLEX WITH
REMARK 900 INHIBITOR NDI-091143
REMARK 900 RELATED ID: EMD-0568 RELATED DB: EMDB
DBREF 6O0H A 1 1101 UNP P53396 ACLY_HUMAN 1 1101
DBREF 6O0H B 1 1101 UNP P53396 ACLY_HUMAN 1 1101
DBREF 6O0H C 1 1101 UNP P53396 ACLY_HUMAN 1 1101
DBREF 6O0H D 1 1101 UNP P53396 ACLY_HUMAN 1 1101
SEQADV 6O0H LYS A 1102 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU A 1103 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA A 1104 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA A 1105 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA A 1106 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU A 1107 UNP P53396 EXPRESSION TAG
SEQADV 6O0H GLU A 1108 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1109 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1110 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1111 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1112 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1113 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1114 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1115 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS A 1116 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LYS B 1102 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU B 1103 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA B 1104 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA B 1105 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA B 1106 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU B 1107 UNP P53396 EXPRESSION TAG
SEQADV 6O0H GLU B 1108 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1109 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1110 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1111 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1112 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1113 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1114 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1115 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS B 1116 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LYS C 1102 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU C 1103 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA C 1104 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA C 1105 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA C 1106 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU C 1107 UNP P53396 EXPRESSION TAG
SEQADV 6O0H GLU C 1108 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1109 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1110 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1111 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1112 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1113 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1114 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1115 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS C 1116 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LYS D 1102 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU D 1103 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA D 1104 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA D 1105 UNP P53396 EXPRESSION TAG
SEQADV 6O0H ALA D 1106 UNP P53396 EXPRESSION TAG
SEQADV 6O0H LEU D 1107 UNP P53396 EXPRESSION TAG
SEQADV 6O0H GLU D 1108 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1109 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1110 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1111 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1112 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1113 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1114 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1115 UNP P53396 EXPRESSION TAG
SEQADV 6O0H HIS D 1116 UNP P53396 EXPRESSION TAG
SEQRES 1 A 1116 MET SER ALA LYS ALA ILE SER GLU GLN THR GLY LYS GLU
SEQRES 2 A 1116 LEU LEU TYR LYS PHE ILE CYS THR THR SER ALA ILE GLN
SEQRES 3 A 1116 ASN ARG PHE LYS TYR ALA ARG VAL THR PRO ASP THR ASP
SEQRES 4 A 1116 TRP ALA ARG LEU LEU GLN ASP HIS PRO TRP LEU LEU SER
SEQRES 5 A 1116 GLN ASN LEU VAL VAL LYS PRO ASP GLN LEU ILE LYS ARG
SEQRES 6 A 1116 ARG GLY LYS LEU GLY LEU VAL GLY VAL ASN LEU THR LEU
SEQRES 7 A 1116 ASP GLY VAL LYS SER TRP LEU LYS PRO ARG LEU GLY GLN
SEQRES 8 A 1116 GLU ALA THR VAL GLY LYS ALA THR GLY PHE LEU LYS ASN
SEQRES 9 A 1116 PHE LEU ILE GLU PRO PHE VAL PRO HIS SER GLN ALA GLU
SEQRES 10 A 1116 GLU PHE TYR VAL CYS ILE TYR ALA THR ARG GLU GLY ASP
SEQRES 11 A 1116 TYR VAL LEU PHE HIS HIS GLU GLY GLY VAL ASP VAL GLY
SEQRES 12 A 1116 ASP VAL ASP ALA LYS ALA GLN LYS LEU LEU VAL GLY VAL
SEQRES 13 A 1116 ASP GLU LYS LEU ASN PRO GLU ASP ILE LYS LYS HIS LEU
SEQRES 14 A 1116 LEU VAL HIS ALA PRO GLU ASP LYS LYS GLU ILE LEU ALA
SEQRES 15 A 1116 SER PHE ILE SER GLY LEU PHE ASN PHE TYR GLU ASP LEU
SEQRES 16 A 1116 TYR PHE THR TYR LEU GLU ILE ASN PRO LEU VAL VAL THR
SEQRES 17 A 1116 LYS ASP GLY VAL TYR VAL LEU ASP LEU ALA ALA LYS VAL
SEQRES 18 A 1116 ASP ALA THR ALA ASP TYR ILE CYS LYS VAL LYS TRP GLY
SEQRES 19 A 1116 ASP ILE GLU PHE PRO PRO PRO PHE GLY ARG GLU ALA TYR
SEQRES 20 A 1116 PRO GLU GLU ALA TYR ILE ALA ASP LEU ASP ALA LYS SER
SEQRES 21 A 1116 GLY ALA SER LEU LYS LEU THR LEU LEU ASN PRO LYS GLY
SEQRES 22 A 1116 ARG ILE TRP THR MET VAL ALA GLY GLY GLY ALA SER VAL
SEQRES 23 A 1116 VAL TYR SER ASP THR ILE CYS ASP LEU GLY GLY VAL ASN
SEQRES 24 A 1116 GLU LEU ALA ASN TYR GLY GLU TYR SER GLY ALA PRO SER
SEQRES 25 A 1116 GLU GLN GLN THR TYR ASP TYR ALA LYS THR ILE LEU SER
SEQRES 26 A 1116 LEU MET THR ARG GLU LYS HIS PRO ASP GLY LYS ILE LEU
SEQRES 27 A 1116 ILE ILE GLY GLY SER ILE ALA ASN PHE THR ASN VAL ALA
SEQRES 28 A 1116 ALA THR PHE LYS GLY ILE VAL ARG ALA ILE ARG ASP TYR
SEQRES 29 A 1116 GLN GLY PRO LEU LYS GLU HIS GLU VAL THR ILE PHE VAL
SEQRES 30 A 1116 ARG ARG GLY GLY PRO ASN TYR GLN GLU GLY LEU ARG VAL
SEQRES 31 A 1116 MET GLY GLU VAL GLY LYS THR THR GLY ILE PRO ILE HIS
SEQRES 32 A 1116 VAL PHE GLY THR GLU THR HIS MET THR ALA ILE VAL GLY
SEQRES 33 A 1116 MET ALA LEU GLY HIS ARG PRO ILE PRO ASN GLN PRO PRO
SEQRES 34 A 1116 THR ALA ALA HIS THR ALA ASN PHE LEU LEU ASN ALA SER
SEQRES 35 A 1116 GLY SER THR SER THR PRO ALA PRO SER ARG THR ALA SER
SEQRES 36 A 1116 PHE SER GLU SER ARG ALA ASP GLU VAL ALA PRO ALA LYS
SEQRES 37 A 1116 LYS ALA LYS PRO ALA MET PRO GLN ASP SER VAL PRO SER
SEQRES 38 A 1116 PRO ARG SER LEU GLN GLY LYS SER THR THR LEU PHE SER
SEQRES 39 A 1116 ARG HIS THR LYS ALA ILE VAL TRP GLY MET GLN THR ARG
SEQRES 40 A 1116 ALA VAL GLN GLY MET LEU ASP PHE ASP TYR VAL CYS SER
SEQRES 41 A 1116 ARG ASP GLU PRO SER VAL ALA ALA MET VAL TYR PRO PHE
SEQRES 42 A 1116 THR GLY ASP HIS LYS GLN LYS PHE TYR TRP GLY HIS LYS
SEQRES 43 A 1116 GLU ILE LEU ILE PRO VAL PHE LYS ASN MET ALA ASP ALA
SEQRES 44 A 1116 MET ARG LYS HIS PRO GLU VAL ASP VAL LEU ILE ASN PHE
SEQRES 45 A 1116 ALA SER LEU ARG SER ALA TYR ASP SER THR MET GLU THR
SEQRES 46 A 1116 MET ASN TYR ALA GLN ILE ARG THR ILE ALA ILE ILE ALA
SEQRES 47 A 1116 GLU GLY ILE PRO GLU ALA LEU THR ARG LYS LEU ILE LYS
SEQRES 48 A 1116 LYS ALA ASP GLN LYS GLY VAL THR ILE ILE GLY PRO ALA
SEQRES 49 A 1116 THR VAL GLY GLY ILE LYS PRO GLY CYS PHE LYS ILE GLY
SEQRES 50 A 1116 ASN THR GLY GLY MET LEU ASP ASN ILE LEU ALA SER LYS
SEQRES 51 A 1116 LEU TYR ARG PRO GLY SER VAL ALA TYR VAL SER ARG SER
SEQRES 52 A 1116 GLY GLY MET SER ASN GLU LEU ASN ASN ILE ILE SER ARG
SEQRES 53 A 1116 THR THR ASP GLY VAL TYR GLU GLY VAL ALA ILE GLY GLY
SEQRES 54 A 1116 ASP ARG TYR PRO GLY SER THR PHE MET ASP HIS VAL LEU
SEQRES 55 A 1116 ARG TYR GLN ASP THR PRO GLY VAL LYS MET ILE VAL VAL
SEQRES 56 A 1116 LEU GLY GLU ILE GLY GLY THR GLU GLU TYR LYS ILE CYS
SEQRES 57 A 1116 ARG GLY ILE LYS GLU GLY ARG LEU THR LYS PRO ILE VAL
SEQRES 58 A 1116 CYS TRP CYS ILE GLY THR CYS ALA THR MET PHE SER SER
SEQRES 59 A 1116 GLU VAL GLN PHE GLY HIS ALA GLY ALA CYS ALA ASN GLN
SEQRES 60 A 1116 ALA SER GLU THR ALA VAL ALA LYS ASN GLN ALA LEU LYS
SEQRES 61 A 1116 GLU ALA GLY VAL PHE VAL PRO ARG SER PHE ASP GLU LEU
SEQRES 62 A 1116 GLY GLU ILE ILE GLN SER VAL TYR GLU ASP LEU VAL ALA
SEQRES 63 A 1116 ASN GLY VAL ILE VAL PRO ALA GLN GLU VAL PRO PRO PRO
SEQRES 64 A 1116 THR VAL PRO MET ASP TYR SER TRP ALA ARG GLU LEU GLY
SEQRES 65 A 1116 LEU ILE ARG LYS PRO ALA SER PHE MET THR SER ILE CYS
SEQRES 66 A 1116 ASP GLU ARG GLY GLN GLU LEU ILE TYR ALA GLY MET PRO
SEQRES 67 A 1116 ILE THR GLU VAL PHE LYS GLU GLU MET GLY ILE GLY GLY
SEQRES 68 A 1116 VAL LEU GLY LEU LEU TRP PHE GLN LYS ARG LEU PRO LYS
SEQRES 69 A 1116 TYR SER CYS GLN PHE ILE GLU MET CYS LEU MET VAL THR
SEQRES 70 A 1116 ALA ASP HIS GLY PRO ALA VAL SER GLY ALA HIS ASN THR
SEQRES 71 A 1116 ILE ILE CYS ALA ARG ALA GLY LYS ASP LEU VAL SER SER
SEQRES 72 A 1116 LEU THR SER GLY LEU LEU THR ILE GLY ASP ARG PHE GLY
SEQRES 73 A 1116 GLY ALA LEU ASP ALA ALA ALA LYS MET PHE SER LYS ALA
SEQRES 74 A 1116 PHE ASP SER GLY ILE ILE PRO MET GLU PHE VAL ASN LYS
SEQRES 75 A 1116 MET LYS LYS GLU GLY LYS LEU ILE MET GLY ILE GLY HIS
SEQRES 76 A 1116 ARG VAL LYS SER ILE ASN ASN PRO ASP MET ARG VAL GLN
SEQRES 77 A 1116 ILE LEU LYS ASP TYR VAL ARG GLN HIS PHE PRO ALA THR
SEQRES 78 A 1116 PRO LEU LEU ASP TYR ALA LEU GLU VAL GLU LYS ILE THR
SEQRES 79 A 1116 THR SER LYS LYS PRO ASN LEU ILE LEU ASN VAL ASP GLY
SEQRES 80 A 1116 LEU ILE GLY VAL ALA PHE VAL ASP MET LEU ARG ASN CYS
SEQRES 81 A 1116 GLY SER PHE THR ARG GLU GLU ALA ASP GLU TYR ILE ASP
SEQRES 82 A 1116 ILE GLY ALA LEU ASN GLY ILE PHE VAL LEU GLY ARG SER
SEQRES 83 A 1116 MET GLY PHE ILE GLY HIS TYR LEU ASP GLN LYS ARG LEU
SEQRES 84 A 1116 LYS GLN GLY LEU TYR ARG HIS PRO TRP ASP ASP ILE SER
SEQRES 85 A 1116 TYR VAL LEU PRO GLU HIS MET SER MET LYS LEU ALA ALA
SEQRES 86 A 1116 ALA LEU GLU HIS HIS HIS HIS HIS HIS HIS HIS
SEQRES 1 B 1116 MET SER ALA LYS ALA ILE SER GLU GLN THR GLY LYS GLU
SEQRES 2 B 1116 LEU LEU TYR LYS PHE ILE CYS THR THR SER ALA ILE GLN
SEQRES 3 B 1116 ASN ARG PHE LYS TYR ALA ARG VAL THR PRO ASP THR ASP
SEQRES 4 B 1116 TRP ALA ARG LEU LEU GLN ASP HIS PRO TRP LEU LEU SER
SEQRES 5 B 1116 GLN ASN LEU VAL VAL LYS PRO ASP GLN LEU ILE LYS ARG
SEQRES 6 B 1116 ARG GLY LYS LEU GLY LEU VAL GLY VAL ASN LEU THR LEU
SEQRES 7 B 1116 ASP GLY VAL LYS SER TRP LEU LYS PRO ARG LEU GLY GLN
SEQRES 8 B 1116 GLU ALA THR VAL GLY LYS ALA THR GLY PHE LEU LYS ASN
SEQRES 9 B 1116 PHE LEU ILE GLU PRO PHE VAL PRO HIS SER GLN ALA GLU
SEQRES 10 B 1116 GLU PHE TYR VAL CYS ILE TYR ALA THR ARG GLU GLY ASP
SEQRES 11 B 1116 TYR VAL LEU PHE HIS HIS GLU GLY GLY VAL ASP VAL GLY
SEQRES 12 B 1116 ASP VAL ASP ALA LYS ALA GLN LYS LEU LEU VAL GLY VAL
SEQRES 13 B 1116 ASP GLU LYS LEU ASN PRO GLU ASP ILE LYS LYS HIS LEU
SEQRES 14 B 1116 LEU VAL HIS ALA PRO GLU ASP LYS LYS GLU ILE LEU ALA
SEQRES 15 B 1116 SER PHE ILE SER GLY LEU PHE ASN PHE TYR GLU ASP LEU
SEQRES 16 B 1116 TYR PHE THR TYR LEU GLU ILE ASN PRO LEU VAL VAL THR
SEQRES 17 B 1116 LYS ASP GLY VAL TYR VAL LEU ASP LEU ALA ALA LYS VAL
SEQRES 18 B 1116 ASP ALA THR ALA ASP TYR ILE CYS LYS VAL LYS TRP GLY
SEQRES 19 B 1116 ASP ILE GLU PHE PRO PRO PRO PHE GLY ARG GLU ALA TYR
SEQRES 20 B 1116 PRO GLU GLU ALA TYR ILE ALA ASP LEU ASP ALA LYS SER
SEQRES 21 B 1116 GLY ALA SER LEU LYS LEU THR LEU LEU ASN PRO LYS GLY
SEQRES 22 B 1116 ARG ILE TRP THR MET VAL ALA GLY GLY GLY ALA SER VAL
SEQRES 23 B 1116 VAL TYR SER ASP THR ILE CYS ASP LEU GLY GLY VAL ASN
SEQRES 24 B 1116 GLU LEU ALA ASN TYR GLY GLU TYR SER GLY ALA PRO SER
SEQRES 25 B 1116 GLU GLN GLN THR TYR ASP TYR ALA LYS THR ILE LEU SER
SEQRES 26 B 1116 LEU MET THR ARG GLU LYS HIS PRO ASP GLY LYS ILE LEU
SEQRES 27 B 1116 ILE ILE GLY GLY SER ILE ALA ASN PHE THR ASN VAL ALA
SEQRES 28 B 1116 ALA THR PHE LYS GLY ILE VAL ARG ALA ILE ARG ASP TYR
SEQRES 29 B 1116 GLN GLY PRO LEU LYS GLU HIS GLU VAL THR ILE PHE VAL
SEQRES 30 B 1116 ARG ARG GLY GLY PRO ASN TYR GLN GLU GLY LEU ARG VAL
SEQRES 31 B 1116 MET GLY GLU VAL GLY LYS THR THR GLY ILE PRO ILE HIS
SEQRES 32 B 1116 VAL PHE GLY THR GLU THR HIS MET THR ALA ILE VAL GLY
SEQRES 33 B 1116 MET ALA LEU GLY HIS ARG PRO ILE PRO ASN GLN PRO PRO
SEQRES 34 B 1116 THR ALA ALA HIS THR ALA ASN PHE LEU LEU ASN ALA SER
SEQRES 35 B 1116 GLY SER THR SER THR PRO ALA PRO SER ARG THR ALA SER
SEQRES 36 B 1116 PHE SER GLU SER ARG ALA ASP GLU VAL ALA PRO ALA LYS
SEQRES 37 B 1116 LYS ALA LYS PRO ALA MET PRO GLN ASP SER VAL PRO SER
SEQRES 38 B 1116 PRO ARG SER LEU GLN GLY LYS SER THR THR LEU PHE SER
SEQRES 39 B 1116 ARG HIS THR LYS ALA ILE VAL TRP GLY MET GLN THR ARG
SEQRES 40 B 1116 ALA VAL GLN GLY MET LEU ASP PHE ASP TYR VAL CYS SER
SEQRES 41 B 1116 ARG ASP GLU PRO SER VAL ALA ALA MET VAL TYR PRO PHE
SEQRES 42 B 1116 THR GLY ASP HIS LYS GLN LYS PHE TYR TRP GLY HIS LYS
SEQRES 43 B 1116 GLU ILE LEU ILE PRO VAL PHE LYS ASN MET ALA ASP ALA
SEQRES 44 B 1116 MET ARG LYS HIS PRO GLU VAL ASP VAL LEU ILE ASN PHE
SEQRES 45 B 1116 ALA SER LEU ARG SER ALA TYR ASP SER THR MET GLU THR
SEQRES 46 B 1116 MET ASN TYR ALA GLN ILE ARG THR ILE ALA ILE ILE ALA
SEQRES 47 B 1116 GLU GLY ILE PRO GLU ALA LEU THR ARG LYS LEU ILE LYS
SEQRES 48 B 1116 LYS ALA ASP GLN LYS GLY VAL THR ILE ILE GLY PRO ALA
SEQRES 49 B 1116 THR VAL GLY GLY ILE LYS PRO GLY CYS PHE LYS ILE GLY
SEQRES 50 B 1116 ASN THR GLY GLY MET LEU ASP ASN ILE LEU ALA SER LYS
SEQRES 51 B 1116 LEU TYR ARG PRO GLY SER VAL ALA TYR VAL SER ARG SER
SEQRES 52 B 1116 GLY GLY MET SER ASN GLU LEU ASN ASN ILE ILE SER ARG
SEQRES 53 B 1116 THR THR ASP GLY VAL TYR GLU GLY VAL ALA ILE GLY GLY
SEQRES 54 B 1116 ASP ARG TYR PRO GLY SER THR PHE MET ASP HIS VAL LEU
SEQRES 55 B 1116 ARG TYR GLN ASP THR PRO GLY VAL LYS MET ILE VAL VAL
SEQRES 56 B 1116 LEU GLY GLU ILE GLY GLY THR GLU GLU TYR LYS ILE CYS
SEQRES 57 B 1116 ARG GLY ILE LYS GLU GLY ARG LEU THR LYS PRO ILE VAL
SEQRES 58 B 1116 CYS TRP CYS ILE GLY THR CYS ALA THR MET PHE SER SER
SEQRES 59 B 1116 GLU VAL GLN PHE GLY HIS ALA GLY ALA CYS ALA ASN GLN
SEQRES 60 B 1116 ALA SER GLU THR ALA VAL ALA LYS ASN GLN ALA LEU LYS
SEQRES 61 B 1116 GLU ALA GLY VAL PHE VAL PRO ARG SER PHE ASP GLU LEU
SEQRES 62 B 1116 GLY GLU ILE ILE GLN SER VAL TYR GLU ASP LEU VAL ALA
SEQRES 63 B 1116 ASN GLY VAL ILE VAL PRO ALA GLN GLU VAL PRO PRO PRO
SEQRES 64 B 1116 THR VAL PRO MET ASP TYR SER TRP ALA ARG GLU LEU GLY
SEQRES 65 B 1116 LEU ILE ARG LYS PRO ALA SER PHE MET THR SER ILE CYS
SEQRES 66 B 1116 ASP GLU ARG GLY GLN GLU LEU ILE TYR ALA GLY MET PRO
SEQRES 67 B 1116 ILE THR GLU VAL PHE LYS GLU GLU MET GLY ILE GLY GLY
SEQRES 68 B 1116 VAL LEU GLY LEU LEU TRP PHE GLN LYS ARG LEU PRO LYS
SEQRES 69 B 1116 TYR SER CYS GLN PHE ILE GLU MET CYS LEU MET VAL THR
SEQRES 70 B 1116 ALA ASP HIS GLY PRO ALA VAL SER GLY ALA HIS ASN THR
SEQRES 71 B 1116 ILE ILE CYS ALA ARG ALA GLY LYS ASP LEU VAL SER SER
SEQRES 72 B 1116 LEU THR SER GLY LEU LEU THR ILE GLY ASP ARG PHE GLY
SEQRES 73 B 1116 GLY ALA LEU ASP ALA ALA ALA LYS MET PHE SER LYS ALA
SEQRES 74 B 1116 PHE ASP SER GLY ILE ILE PRO MET GLU PHE VAL ASN LYS
SEQRES 75 B 1116 MET LYS LYS GLU GLY LYS LEU ILE MET GLY ILE GLY HIS
SEQRES 76 B 1116 ARG VAL LYS SER ILE ASN ASN PRO ASP MET ARG VAL GLN
SEQRES 77 B 1116 ILE LEU LYS ASP TYR VAL ARG GLN HIS PHE PRO ALA THR
SEQRES 78 B 1116 PRO LEU LEU ASP TYR ALA LEU GLU VAL GLU LYS ILE THR
SEQRES 79 B 1116 THR SER LYS LYS PRO ASN LEU ILE LEU ASN VAL ASP GLY
SEQRES 80 B 1116 LEU ILE GLY VAL ALA PHE VAL ASP MET LEU ARG ASN CYS
SEQRES 81 B 1116 GLY SER PHE THR ARG GLU GLU ALA ASP GLU TYR ILE ASP
SEQRES 82 B 1116 ILE GLY ALA LEU ASN GLY ILE PHE VAL LEU GLY ARG SER
SEQRES 83 B 1116 MET GLY PHE ILE GLY HIS TYR LEU ASP GLN LYS ARG LEU
SEQRES 84 B 1116 LYS GLN GLY LEU TYR ARG HIS PRO TRP ASP ASP ILE SER
SEQRES 85 B 1116 TYR VAL LEU PRO GLU HIS MET SER MET LYS LEU ALA ALA
SEQRES 86 B 1116 ALA LEU GLU HIS HIS HIS HIS HIS HIS HIS HIS
SEQRES 1 C 1116 MET SER ALA LYS ALA ILE SER GLU GLN THR GLY LYS GLU
SEQRES 2 C 1116 LEU LEU TYR LYS PHE ILE CYS THR THR SER ALA ILE GLN
SEQRES 3 C 1116 ASN ARG PHE LYS TYR ALA ARG VAL THR PRO ASP THR ASP
SEQRES 4 C 1116 TRP ALA ARG LEU LEU GLN ASP HIS PRO TRP LEU LEU SER
SEQRES 5 C 1116 GLN ASN LEU VAL VAL LYS PRO ASP GLN LEU ILE LYS ARG
SEQRES 6 C 1116 ARG GLY LYS LEU GLY LEU VAL GLY VAL ASN LEU THR LEU
SEQRES 7 C 1116 ASP GLY VAL LYS SER TRP LEU LYS PRO ARG LEU GLY GLN
SEQRES 8 C 1116 GLU ALA THR VAL GLY LYS ALA THR GLY PHE LEU LYS ASN
SEQRES 9 C 1116 PHE LEU ILE GLU PRO PHE VAL PRO HIS SER GLN ALA GLU
SEQRES 10 C 1116 GLU PHE TYR VAL CYS ILE TYR ALA THR ARG GLU GLY ASP
SEQRES 11 C 1116 TYR VAL LEU PHE HIS HIS GLU GLY GLY VAL ASP VAL GLY
SEQRES 12 C 1116 ASP VAL ASP ALA LYS ALA GLN LYS LEU LEU VAL GLY VAL
SEQRES 13 C 1116 ASP GLU LYS LEU ASN PRO GLU ASP ILE LYS LYS HIS LEU
SEQRES 14 C 1116 LEU VAL HIS ALA PRO GLU ASP LYS LYS GLU ILE LEU ALA
SEQRES 15 C 1116 SER PHE ILE SER GLY LEU PHE ASN PHE TYR GLU ASP LEU
SEQRES 16 C 1116 TYR PHE THR TYR LEU GLU ILE ASN PRO LEU VAL VAL THR
SEQRES 17 C 1116 LYS ASP GLY VAL TYR VAL LEU ASP LEU ALA ALA LYS VAL
SEQRES 18 C 1116 ASP ALA THR ALA ASP TYR ILE CYS LYS VAL LYS TRP GLY
SEQRES 19 C 1116 ASP ILE GLU PHE PRO PRO PRO PHE GLY ARG GLU ALA TYR
SEQRES 20 C 1116 PRO GLU GLU ALA TYR ILE ALA ASP LEU ASP ALA LYS SER
SEQRES 21 C 1116 GLY ALA SER LEU LYS LEU THR LEU LEU ASN PRO LYS GLY
SEQRES 22 C 1116 ARG ILE TRP THR MET VAL ALA GLY GLY GLY ALA SER VAL
SEQRES 23 C 1116 VAL TYR SER ASP THR ILE CYS ASP LEU GLY GLY VAL ASN
SEQRES 24 C 1116 GLU LEU ALA ASN TYR GLY GLU TYR SER GLY ALA PRO SER
SEQRES 25 C 1116 GLU GLN GLN THR TYR ASP TYR ALA LYS THR ILE LEU SER
SEQRES 26 C 1116 LEU MET THR ARG GLU LYS HIS PRO ASP GLY LYS ILE LEU
SEQRES 27 C 1116 ILE ILE GLY GLY SER ILE ALA ASN PHE THR ASN VAL ALA
SEQRES 28 C 1116 ALA THR PHE LYS GLY ILE VAL ARG ALA ILE ARG ASP TYR
SEQRES 29 C 1116 GLN GLY PRO LEU LYS GLU HIS GLU VAL THR ILE PHE VAL
SEQRES 30 C 1116 ARG ARG GLY GLY PRO ASN TYR GLN GLU GLY LEU ARG VAL
SEQRES 31 C 1116 MET GLY GLU VAL GLY LYS THR THR GLY ILE PRO ILE HIS
SEQRES 32 C 1116 VAL PHE GLY THR GLU THR HIS MET THR ALA ILE VAL GLY
SEQRES 33 C 1116 MET ALA LEU GLY HIS ARG PRO ILE PRO ASN GLN PRO PRO
SEQRES 34 C 1116 THR ALA ALA HIS THR ALA ASN PHE LEU LEU ASN ALA SER
SEQRES 35 C 1116 GLY SER THR SER THR PRO ALA PRO SER ARG THR ALA SER
SEQRES 36 C 1116 PHE SER GLU SER ARG ALA ASP GLU VAL ALA PRO ALA LYS
SEQRES 37 C 1116 LYS ALA LYS PRO ALA MET PRO GLN ASP SER VAL PRO SER
SEQRES 38 C 1116 PRO ARG SER LEU GLN GLY LYS SER THR THR LEU PHE SER
SEQRES 39 C 1116 ARG HIS THR LYS ALA ILE VAL TRP GLY MET GLN THR ARG
SEQRES 40 C 1116 ALA VAL GLN GLY MET LEU ASP PHE ASP TYR VAL CYS SER
SEQRES 41 C 1116 ARG ASP GLU PRO SER VAL ALA ALA MET VAL TYR PRO PHE
SEQRES 42 C 1116 THR GLY ASP HIS LYS GLN LYS PHE TYR TRP GLY HIS LYS
SEQRES 43 C 1116 GLU ILE LEU ILE PRO VAL PHE LYS ASN MET ALA ASP ALA
SEQRES 44 C 1116 MET ARG LYS HIS PRO GLU VAL ASP VAL LEU ILE ASN PHE
SEQRES 45 C 1116 ALA SER LEU ARG SER ALA TYR ASP SER THR MET GLU THR
SEQRES 46 C 1116 MET ASN TYR ALA GLN ILE ARG THR ILE ALA ILE ILE ALA
SEQRES 47 C 1116 GLU GLY ILE PRO GLU ALA LEU THR ARG LYS LEU ILE LYS
SEQRES 48 C 1116 LYS ALA ASP GLN LYS GLY VAL THR ILE ILE GLY PRO ALA
SEQRES 49 C 1116 THR VAL GLY GLY ILE LYS PRO GLY CYS PHE LYS ILE GLY
SEQRES 50 C 1116 ASN THR GLY GLY MET LEU ASP ASN ILE LEU ALA SER LYS
SEQRES 51 C 1116 LEU TYR ARG PRO GLY SER VAL ALA TYR VAL SER ARG SER
SEQRES 52 C 1116 GLY GLY MET SER ASN GLU LEU ASN ASN ILE ILE SER ARG
SEQRES 53 C 1116 THR THR ASP GLY VAL TYR GLU GLY VAL ALA ILE GLY GLY
SEQRES 54 C 1116 ASP ARG TYR PRO GLY SER THR PHE MET ASP HIS VAL LEU
SEQRES 55 C 1116 ARG TYR GLN ASP THR PRO GLY VAL LYS MET ILE VAL VAL
SEQRES 56 C 1116 LEU GLY GLU ILE GLY GLY THR GLU GLU TYR LYS ILE CYS
SEQRES 57 C 1116 ARG GLY ILE LYS GLU GLY ARG LEU THR LYS PRO ILE VAL
SEQRES 58 C 1116 CYS TRP CYS ILE GLY THR CYS ALA THR MET PHE SER SER
SEQRES 59 C 1116 GLU VAL GLN PHE GLY HIS ALA GLY ALA CYS ALA ASN GLN
SEQRES 60 C 1116 ALA SER GLU THR ALA VAL ALA LYS ASN GLN ALA LEU LYS
SEQRES 61 C 1116 GLU ALA GLY VAL PHE VAL PRO ARG SER PHE ASP GLU LEU
SEQRES 62 C 1116 GLY GLU ILE ILE GLN SER VAL TYR GLU ASP LEU VAL ALA
SEQRES 63 C 1116 ASN GLY VAL ILE VAL PRO ALA GLN GLU VAL PRO PRO PRO
SEQRES 64 C 1116 THR VAL PRO MET ASP TYR SER TRP ALA ARG GLU LEU GLY
SEQRES 65 C 1116 LEU ILE ARG LYS PRO ALA SER PHE MET THR SER ILE CYS
SEQRES 66 C 1116 ASP GLU ARG GLY GLN GLU LEU ILE TYR ALA GLY MET PRO
SEQRES 67 C 1116 ILE THR GLU VAL PHE LYS GLU GLU MET GLY ILE GLY GLY
SEQRES 68 C 1116 VAL LEU GLY LEU LEU TRP PHE GLN LYS ARG LEU PRO LYS
SEQRES 69 C 1116 TYR SER CYS GLN PHE ILE GLU MET CYS LEU MET VAL THR
SEQRES 70 C 1116 ALA ASP HIS GLY PRO ALA VAL SER GLY ALA HIS ASN THR
SEQRES 71 C 1116 ILE ILE CYS ALA ARG ALA GLY LYS ASP LEU VAL SER SER
SEQRES 72 C 1116 LEU THR SER GLY LEU LEU THR ILE GLY ASP ARG PHE GLY
SEQRES 73 C 1116 GLY ALA LEU ASP ALA ALA ALA LYS MET PHE SER LYS ALA
SEQRES 74 C 1116 PHE ASP SER GLY ILE ILE PRO MET GLU PHE VAL ASN LYS
SEQRES 75 C 1116 MET LYS LYS GLU GLY LYS LEU ILE MET GLY ILE GLY HIS
SEQRES 76 C 1116 ARG VAL LYS SER ILE ASN ASN PRO ASP MET ARG VAL GLN
SEQRES 77 C 1116 ILE LEU LYS ASP TYR VAL ARG GLN HIS PHE PRO ALA THR
SEQRES 78 C 1116 PRO LEU LEU ASP TYR ALA LEU GLU VAL GLU LYS ILE THR
SEQRES 79 C 1116 THR SER LYS LYS PRO ASN LEU ILE LEU ASN VAL ASP GLY
SEQRES 80 C 1116 LEU ILE GLY VAL ALA PHE VAL ASP MET LEU ARG ASN CYS
SEQRES 81 C 1116 GLY SER PHE THR ARG GLU GLU ALA ASP GLU TYR ILE ASP
SEQRES 82 C 1116 ILE GLY ALA LEU ASN GLY ILE PHE VAL LEU GLY ARG SER
SEQRES 83 C 1116 MET GLY PHE ILE GLY HIS TYR LEU ASP GLN LYS ARG LEU
SEQRES 84 C 1116 LYS GLN GLY LEU TYR ARG HIS PRO TRP ASP ASP ILE SER
SEQRES 85 C 1116 TYR VAL LEU PRO GLU HIS MET SER MET LYS LEU ALA ALA
SEQRES 86 C 1116 ALA LEU GLU HIS HIS HIS HIS HIS HIS HIS HIS
SEQRES 1 D 1116 MET SER ALA LYS ALA ILE SER GLU GLN THR GLY LYS GLU
SEQRES 2 D 1116 LEU LEU TYR LYS PHE ILE CYS THR THR SER ALA ILE GLN
SEQRES 3 D 1116 ASN ARG PHE LYS TYR ALA ARG VAL THR PRO ASP THR ASP
SEQRES 4 D 1116 TRP ALA ARG LEU LEU GLN ASP HIS PRO TRP LEU LEU SER
SEQRES 5 D 1116 GLN ASN LEU VAL VAL LYS PRO ASP GLN LEU ILE LYS ARG
SEQRES 6 D 1116 ARG GLY LYS LEU GLY LEU VAL GLY VAL ASN LEU THR LEU
SEQRES 7 D 1116 ASP GLY VAL LYS SER TRP LEU LYS PRO ARG LEU GLY GLN
SEQRES 8 D 1116 GLU ALA THR VAL GLY LYS ALA THR GLY PHE LEU LYS ASN
SEQRES 9 D 1116 PHE LEU ILE GLU PRO PHE VAL PRO HIS SER GLN ALA GLU
SEQRES 10 D 1116 GLU PHE TYR VAL CYS ILE TYR ALA THR ARG GLU GLY ASP
SEQRES 11 D 1116 TYR VAL LEU PHE HIS HIS GLU GLY GLY VAL ASP VAL GLY
SEQRES 12 D 1116 ASP VAL ASP ALA LYS ALA GLN LYS LEU LEU VAL GLY VAL
SEQRES 13 D 1116 ASP GLU LYS LEU ASN PRO GLU ASP ILE LYS LYS HIS LEU
SEQRES 14 D 1116 LEU VAL HIS ALA PRO GLU ASP LYS LYS GLU ILE LEU ALA
SEQRES 15 D 1116 SER PHE ILE SER GLY LEU PHE ASN PHE TYR GLU ASP LEU
SEQRES 16 D 1116 TYR PHE THR TYR LEU GLU ILE ASN PRO LEU VAL VAL THR
SEQRES 17 D 1116 LYS ASP GLY VAL TYR VAL LEU ASP LEU ALA ALA LYS VAL
SEQRES 18 D 1116 ASP ALA THR ALA ASP TYR ILE CYS LYS VAL LYS TRP GLY
SEQRES 19 D 1116 ASP ILE GLU PHE PRO PRO PRO PHE GLY ARG GLU ALA TYR
SEQRES 20 D 1116 PRO GLU GLU ALA TYR ILE ALA ASP LEU ASP ALA LYS SER
SEQRES 21 D 1116 GLY ALA SER LEU LYS LEU THR LEU LEU ASN PRO LYS GLY
SEQRES 22 D 1116 ARG ILE TRP THR MET VAL ALA GLY GLY GLY ALA SER VAL
SEQRES 23 D 1116 VAL TYR SER ASP THR ILE CYS ASP LEU GLY GLY VAL ASN
SEQRES 24 D 1116 GLU LEU ALA ASN TYR GLY GLU TYR SER GLY ALA PRO SER
SEQRES 25 D 1116 GLU GLN GLN THR TYR ASP TYR ALA LYS THR ILE LEU SER
SEQRES 26 D 1116 LEU MET THR ARG GLU LYS HIS PRO ASP GLY LYS ILE LEU
SEQRES 27 D 1116 ILE ILE GLY GLY SER ILE ALA ASN PHE THR ASN VAL ALA
SEQRES 28 D 1116 ALA THR PHE LYS GLY ILE VAL ARG ALA ILE ARG ASP TYR
SEQRES 29 D 1116 GLN GLY PRO LEU LYS GLU HIS GLU VAL THR ILE PHE VAL
SEQRES 30 D 1116 ARG ARG GLY GLY PRO ASN TYR GLN GLU GLY LEU ARG VAL
SEQRES 31 D 1116 MET GLY GLU VAL GLY LYS THR THR GLY ILE PRO ILE HIS
SEQRES 32 D 1116 VAL PHE GLY THR GLU THR HIS MET THR ALA ILE VAL GLY
SEQRES 33 D 1116 MET ALA LEU GLY HIS ARG PRO ILE PRO ASN GLN PRO PRO
SEQRES 34 D 1116 THR ALA ALA HIS THR ALA ASN PHE LEU LEU ASN ALA SER
SEQRES 35 D 1116 GLY SER THR SER THR PRO ALA PRO SER ARG THR ALA SER
SEQRES 36 D 1116 PHE SER GLU SER ARG ALA ASP GLU VAL ALA PRO ALA LYS
SEQRES 37 D 1116 LYS ALA LYS PRO ALA MET PRO GLN ASP SER VAL PRO SER
SEQRES 38 D 1116 PRO ARG SER LEU GLN GLY LYS SER THR THR LEU PHE SER
SEQRES 39 D 1116 ARG HIS THR LYS ALA ILE VAL TRP GLY MET GLN THR ARG
SEQRES 40 D 1116 ALA VAL GLN GLY MET LEU ASP PHE ASP TYR VAL CYS SER
SEQRES 41 D 1116 ARG ASP GLU PRO SER VAL ALA ALA MET VAL TYR PRO PHE
SEQRES 42 D 1116 THR GLY ASP HIS LYS GLN LYS PHE TYR TRP GLY HIS LYS
SEQRES 43 D 1116 GLU ILE LEU ILE PRO VAL PHE LYS ASN MET ALA ASP ALA
SEQRES 44 D 1116 MET ARG LYS HIS PRO GLU VAL ASP VAL LEU ILE ASN PHE
SEQRES 45 D 1116 ALA SER LEU ARG SER ALA TYR ASP SER THR MET GLU THR
SEQRES 46 D 1116 MET ASN TYR ALA GLN ILE ARG THR ILE ALA ILE ILE ALA
SEQRES 47 D 1116 GLU GLY ILE PRO GLU ALA LEU THR ARG LYS LEU ILE LYS
SEQRES 48 D 1116 LYS ALA ASP GLN LYS GLY VAL THR ILE ILE GLY PRO ALA
SEQRES 49 D 1116 THR VAL GLY GLY ILE LYS PRO GLY CYS PHE LYS ILE GLY
SEQRES 50 D 1116 ASN THR GLY GLY MET LEU ASP ASN ILE LEU ALA SER LYS
SEQRES 51 D 1116 LEU TYR ARG PRO GLY SER VAL ALA TYR VAL SER ARG SER
SEQRES 52 D 1116 GLY GLY MET SER ASN GLU LEU ASN ASN ILE ILE SER ARG
SEQRES 53 D 1116 THR THR ASP GLY VAL TYR GLU GLY VAL ALA ILE GLY GLY
SEQRES 54 D 1116 ASP ARG TYR PRO GLY SER THR PHE MET ASP HIS VAL LEU
SEQRES 55 D 1116 ARG TYR GLN ASP THR PRO GLY VAL LYS MET ILE VAL VAL
SEQRES 56 D 1116 LEU GLY GLU ILE GLY GLY THR GLU GLU TYR LYS ILE CYS
SEQRES 57 D 1116 ARG GLY ILE LYS GLU GLY ARG LEU THR LYS PRO ILE VAL
SEQRES 58 D 1116 CYS TRP CYS ILE GLY THR CYS ALA THR MET PHE SER SER
SEQRES 59 D 1116 GLU VAL GLN PHE GLY HIS ALA GLY ALA CYS ALA ASN GLN
SEQRES 60 D 1116 ALA SER GLU THR ALA VAL ALA LYS ASN GLN ALA LEU LYS
SEQRES 61 D 1116 GLU ALA GLY VAL PHE VAL PRO ARG SER PHE ASP GLU LEU
SEQRES 62 D 1116 GLY GLU ILE ILE GLN SER VAL TYR GLU ASP LEU VAL ALA
SEQRES 63 D 1116 ASN GLY VAL ILE VAL PRO ALA GLN GLU VAL PRO PRO PRO
SEQRES 64 D 1116 THR VAL PRO MET ASP TYR SER TRP ALA ARG GLU LEU GLY
SEQRES 65 D 1116 LEU ILE ARG LYS PRO ALA SER PHE MET THR SER ILE CYS
SEQRES 66 D 1116 ASP GLU ARG GLY GLN GLU LEU ILE TYR ALA GLY MET PRO
SEQRES 67 D 1116 ILE THR GLU VAL PHE LYS GLU GLU MET GLY ILE GLY GLY
SEQRES 68 D 1116 VAL LEU GLY LEU LEU TRP PHE GLN LYS ARG LEU PRO LYS
SEQRES 69 D 1116 TYR SER CYS GLN PHE ILE GLU MET CYS LEU MET VAL THR
SEQRES 70 D 1116 ALA ASP HIS GLY PRO ALA VAL SER GLY ALA HIS ASN THR
SEQRES 71 D 1116 ILE ILE CYS ALA ARG ALA GLY LYS ASP LEU VAL SER SER
SEQRES 72 D 1116 LEU THR SER GLY LEU LEU THR ILE GLY ASP ARG PHE GLY
SEQRES 73 D 1116 GLY ALA LEU ASP ALA ALA ALA LYS MET PHE SER LYS ALA
SEQRES 74 D 1116 PHE ASP SER GLY ILE ILE PRO MET GLU PHE VAL ASN LYS
SEQRES 75 D 1116 MET LYS LYS GLU GLY LYS LEU ILE MET GLY ILE GLY HIS
SEQRES 76 D 1116 ARG VAL LYS SER ILE ASN ASN PRO ASP MET ARG VAL GLN
SEQRES 77 D 1116 ILE LEU LYS ASP TYR VAL ARG GLN HIS PHE PRO ALA THR
SEQRES 78 D 1116 PRO LEU LEU ASP TYR ALA LEU GLU VAL GLU LYS ILE THR
SEQRES 79 D 1116 THR SER LYS LYS PRO ASN LEU ILE LEU ASN VAL ASP GLY
SEQRES 80 D 1116 LEU ILE GLY VAL ALA PHE VAL ASP MET LEU ARG ASN CYS
SEQRES 81 D 1116 GLY SER PHE THR ARG GLU GLU ALA ASP GLU TYR ILE ASP
SEQRES 82 D 1116 ILE GLY ALA LEU ASN GLY ILE PHE VAL LEU GLY ARG SER
SEQRES 83 D 1116 MET GLY PHE ILE GLY HIS TYR LEU ASP GLN LYS ARG LEU
SEQRES 84 D 1116 LYS GLN GLY LEU TYR ARG HIS PRO TRP ASP ASP ILE SER
SEQRES 85 D 1116 TYR VAL LEU PRO GLU HIS MET SER MET LYS LEU ALA ALA
SEQRES 86 D 1116 ALA LEU GLU HIS HIS HIS HIS HIS HIS HIS HIS
HET LBG A2001 30
HET ADP A2002 27
HET LBG B2001 30
HET ADP B2002 27
HET LBG C2001 30
HET ADP C2002 27
HET LBG D2001 30
HET ADP D2002 27
HETNAM LBG METHYL 3-CHLORO-5-[(4,6-DIFLUORO[1,1'-BIPHENYL]-3-YL)
HETNAM 2 LBG SULFAMOYL]-4-HYDROXYBENZOATE
HETNAM ADP ADENOSINE-5'-DIPHOSPHATE
FORMUL 5 LBG 4(C20 H14 CL F2 N O5 S)
FORMUL 6 ADP 4(C10 H15 N5 O10 P2)
HELIX 1 AA1 SER A 7 ILE A 19 1 13
HELIX 2 AA2 ASP A 39 HIS A 47 1 9
HELIX 3 AA3 PRO A 48 SER A 52 5 5
HELIX 4 AA4 ARG A 65 LEU A 69 5 5
HELIX 5 AA5 THR A 77 LYS A 86 1 10
HELIX 6 AA6 ASN A 161 LEU A 169 1 9
HELIX 7 AA7 LYS A 177 LEU A 195 1 19
HELIX 8 AA8 ALA A 225 GLY A 234 1 10
HELIX 9 AA9 TYR A 247 LYS A 259 1 13
HELIX 10 AB1 GLY A 283 LEU A 295 1 13
HELIX 11 AB2 GLY A 297 LEU A 301 5 5
HELIX 12 AB3 SER A 312 THR A 328 1 17
HELIX 13 AB4 ASN A 349 ASP A 363 1 15
HELIX 14 AB5 TYR A 364 HIS A 371 1 8
HELIX 15 AB6 TYR A 384 GLY A 399 1 16
HELIX 16 AB7 THR A 412 LEU A 419 1 8
HELIX 17 AB8 GLN A 505 CYS A 519 1 15
HELIX 18 AB9 ASN A 555 LYS A 562 1 8
HELIX 19 AC1 SER A 577 MET A 586 1 10
HELIX 20 AC2 PRO A 602 GLY A 617 1 16
HELIX 21 AC3 MET A 642 LEU A 647 1 6
HELIX 22 AC4 MET A 666 ARG A 676 1 11
HELIX 23 AC5 THR A 696 ASP A 706 1 11
HELIX 24 AC6 GLU A 724 GLU A 733 1 10
HELIX 25 AC7 GLY A 746 THR A 750 5 5
HELIX 26 AC8 GLN A 767 GLU A 770 5 4
HELIX 27 AC9 THR A 771 GLU A 781 1 11
HELIX 28 AD1 SER A 789 ASP A 791 5 3
HELIX 29 AD2 GLU A 792 ALA A 806 1 15
HELIX 30 AD3 TYR A 825 ARG A 829 1 5
HELIX 31 AD4 PRO A 858 GLU A 865 1 8
HELIX 32 AD5 GLY A 868 PHE A 878 1 11
HELIX 33 AD6 PRO A 883 THR A 897 1 15
HELIX 34 AD7 VAL A 904 ALA A 916 1 13
HELIX 35 AD8 LEU A 920 LEU A 929 1 10
HELIX 36 AD9 ALA A 938 SER A 952 1 15
HELIX 37 AE1 ILE A 955 GLU A 966 1 12
HELIX 38 AE2 ASP A 984 PHE A 998 1 15
HELIX 39 AE3 LEU A 1003 SER A 1016 1 14
HELIX 40 AE4 ASN A 1024 CYS A 1040 1 17
HELIX 41 AE5 THR A 1044 ASP A 1049 1 6
HELIX 42 AE6 ASP A 1049 GLY A 1055 1 7
HELIX 43 AE7 ASN A 1058 LEU A 1079 1 22
HELIX 44 AE8 SER B 7 ILE B 19 1 13
HELIX 45 AE9 ASP B 39 HIS B 47 1 9
HELIX 46 AF1 PRO B 48 SER B 52 5 5
HELIX 47 AF2 ARG B 65 LEU B 69 5 5
HELIX 48 AF3 THR B 77 LYS B 86 1 10
HELIX 49 AF4 ASN B 161 LEU B 169 1 9
HELIX 50 AF5 LYS B 177 LEU B 195 1 19
HELIX 51 AF6 ALA B 225 GLY B 234 1 10
HELIX 52 AF7 TYR B 247 LYS B 259 1 13
HELIX 53 AF8 GLY B 283 LEU B 295 1 13
HELIX 54 AF9 GLY B 297 LEU B 301 5 5
HELIX 55 AG1 SER B 312 THR B 328 1 17
HELIX 56 AG2 ASN B 349 ASP B 363 1 15
HELIX 57 AG3 TYR B 364 HIS B 371 1 8
HELIX 58 AG4 TYR B 384 THR B 398 1 15
HELIX 59 AG5 THR B 412 LEU B 419 1 8
HELIX 60 AG6 GLN B 505 CYS B 519 1 15
HELIX 61 AG7 ASN B 555 LYS B 562 1 8
HELIX 62 AG8 SER B 577 MET B 586 1 10
HELIX 63 AG9 PRO B 602 GLY B 617 1 16
HELIX 64 AH1 MET B 642 LEU B 647 1 6
HELIX 65 AH2 MET B 666 ARG B 676 1 11
HELIX 66 AH3 THR B 696 ASP B 706 1 11
HELIX 67 AH4 GLU B 724 GLU B 733 1 10
HELIX 68 AH5 GLY B 746 THR B 750 5 5
HELIX 69 AH6 GLN B 767 GLU B 770 5 4
HELIX 70 AH7 THR B 771 GLU B 781 1 11
HELIX 71 AH8 SER B 789 ASP B 791 5 3
HELIX 72 AH9 GLU B 792 ALA B 806 1 15
HELIX 73 AI1 TYR B 825 ARG B 829 1 5
HELIX 74 AI2 PRO B 858 GLU B 865 1 8
HELIX 75 AI3 GLY B 868 PHE B 878 1 11
HELIX 76 AI4 PRO B 883 THR B 897 1 15
HELIX 77 AI5 VAL B 904 ALA B 916 1 13
HELIX 78 AI6 LEU B 920 LEU B 929 1 10
HELIX 79 AI7 ALA B 938 SER B 952 1 15
HELIX 80 AI8 ILE B 955 GLU B 966 1 12
HELIX 81 AI9 ASP B 984 PHE B 998 1 15
HELIX 82 AJ1 LEU B 1003 SER B 1016 1 14
HELIX 83 AJ2 ASN B 1024 CYS B 1040 1 17
HELIX 84 AJ3 THR B 1044 ASP B 1049 1 6
HELIX 85 AJ4 ASP B 1049 GLY B 1055 1 7
HELIX 86 AJ5 ASN B 1058 LEU B 1079 1 22
HELIX 87 AJ6 SER C 7 ILE C 19 1 13
HELIX 88 AJ7 ASP C 39 HIS C 47 1 9
HELIX 89 AJ8 PRO C 48 SER C 52 5 5
HELIX 90 AJ9 ARG C 65 LEU C 69 5 5
HELIX 91 AK1 THR C 77 LYS C 86 1 10
HELIX 92 AK2 ASN C 161 LEU C 169 1 9
HELIX 93 AK3 LYS C 177 LEU C 195 1 19
HELIX 94 AK4 ALA C 225 GLY C 234 1 10
HELIX 95 AK5 TYR C 247 LYS C 259 1 13
HELIX 96 AK6 GLY C 283 LEU C 295 1 13
HELIX 97 AK7 GLY C 297 LEU C 301 5 5
HELIX 98 AK8 SER C 312 THR C 328 1 17
HELIX 99 AK9 ASN C 349 ASP C 363 1 15
HELIX 100 AL1 TYR C 364 GLU C 370 1 7
HELIX 101 AL2 TYR C 384 THR C 398 1 15
HELIX 102 AL3 THR C 412 LEU C 419 1 8
HELIX 103 AL4 GLN C 505 CYS C 519 1 15
HELIX 104 AL5 ASN C 555 LYS C 562 1 8
HELIX 105 AL6 SER C 577 MET C 586 1 10
HELIX 106 AL7 PRO C 602 GLY C 617 1 16
HELIX 107 AL8 MET C 642 LEU C 647 1 6
HELIX 108 AL9 MET C 666 ARG C 676 1 11
HELIX 109 AM1 THR C 696 ASP C 706 1 11
HELIX 110 AM2 GLU C 724 GLU C 733 1 10
HELIX 111 AM3 GLY C 746 THR C 750 5 5
HELIX 112 AM4 GLN C 767 GLU C 770 5 4
HELIX 113 AM5 THR C 771 GLU C 781 1 11
HELIX 114 AM6 SER C 789 ASP C 791 5 3
HELIX 115 AM7 GLU C 792 ALA C 806 1 15
HELIX 116 AM8 TYR C 825 ARG C 829 1 5
HELIX 117 AM9 PRO C 858 GLU C 865 1 8
HELIX 118 AN1 GLY C 868 PHE C 878 1 11
HELIX 119 AN2 PRO C 883 THR C 897 1 15
HELIX 120 AN3 VAL C 904 ALA C 916 1 13
HELIX 121 AN4 LEU C 920 LEU C 929 1 10
HELIX 122 AN5 ALA C 938 SER C 952 1 15
HELIX 123 AN6 ILE C 955 GLU C 966 1 12
HELIX 124 AN7 ASP C 984 PHE C 998 1 15
HELIX 125 AN8 LEU C 1003 SER C 1016 1 14
HELIX 126 AN9 ASN C 1024 CYS C 1040 1 17
HELIX 127 AO1 THR C 1044 ASP C 1049 1 6
HELIX 128 AO2 ASP C 1049 GLY C 1055 1 7
HELIX 129 AO3 ASN C 1058 LEU C 1079 1 22
HELIX 130 AO4 SER D 7 ILE D 19 1 13
HELIX 131 AO5 ASP D 39 HIS D 47 1 9
HELIX 132 AO6 PRO D 48 SER D 52 5 5
HELIX 133 AO7 ARG D 65 LEU D 69 5 5
HELIX 134 AO8 THR D 77 LYS D 86 1 10
HELIX 135 AO9 ASN D 161 LEU D 169 1 9
HELIX 136 AP1 LYS D 177 LEU D 195 1 19
HELIX 137 AP2 ALA D 225 GLY D 234 1 10
HELIX 138 AP3 TYR D 247 LYS D 259 1 13
HELIX 139 AP4 GLY D 283 LEU D 295 1 13
HELIX 140 AP5 GLY D 297 LEU D 301 5 5
HELIX 141 AP6 SER D 312 THR D 328 1 17
HELIX 142 AP7 ASN D 349 ASP D 363 1 15
HELIX 143 AP8 TYR D 364 HIS D 371 1 8
HELIX 144 AP9 TYR D 384 THR D 398 1 15
HELIX 145 AQ1 THR D 412 LEU D 419 1 8
HELIX 146 AQ2 GLN D 505 CYS D 519 1 15
HELIX 147 AQ3 ASN D 555 LYS D 562 1 8
HELIX 148 AQ4 SER D 577 MET D 586 1 10
HELIX 149 AQ5 PRO D 602 GLY D 617 1 16
HELIX 150 AQ6 MET D 642 LEU D 647 1 6
HELIX 151 AQ7 MET D 666 ARG D 676 1 11
HELIX 152 AQ8 THR D 696 ASP D 706 1 11
HELIX 153 AQ9 GLU D 724 GLU D 733 1 10
HELIX 154 AR1 GLY D 746 THR D 750 5 5
HELIX 155 AR2 GLN D 767 GLU D 770 5 4
HELIX 156 AR3 THR D 771 GLU D 781 1 11
HELIX 157 AR4 SER D 789 ASP D 791 5 3
HELIX 158 AR5 GLU D 792 ALA D 806 1 15
HELIX 159 AR6 TYR D 825 ARG D 829 1 5
HELIX 160 AR7 PRO D 858 GLU D 865 1 8
HELIX 161 AR8 GLY D 868 PHE D 878 1 11
HELIX 162 AR9 PRO D 883 THR D 897 1 15
HELIX 163 AS1 VAL D 904 ALA D 916 1 13
HELIX 164 AS2 LEU D 920 LEU D 929 1 10
HELIX 165 AS3 ALA D 938 SER D 952 1 15
HELIX 166 AS4 ILE D 955 GLU D 966 1 12
HELIX 167 AS5 ASP D 984 PHE D 998 1 15
HELIX 168 AS6 LEU D 1003 SER D 1016 1 14
HELIX 169 AS7 ASN D 1024 CYS D 1040 1 17
HELIX 170 AS8 THR D 1044 ASP D 1049 1 6
HELIX 171 AS9 ASP D 1049 GLY D 1055 1 7
HELIX 172 AT1 ASN D 1058 LEU D 1079 1 22
SHEET 1 AA1 6 ALA A 3 ILE A 6 0
SHEET 2 AA1 6 ALA A 218 ASP A 222 -1 O ALA A 219 N ILE A 6
SHEET 3 AA1 6 PHE A 197 VAL A 207 -1 N THR A 198 O LYS A 220
SHEET 4 AA1 6 GLU A 118 THR A 126 -1 N PHE A 119 O LEU A 205
SHEET 5 AA1 6 GLY A 129 HIS A 135 -1 O GLY A 129 N THR A 126
SHEET 6 AA1 6 GLN A 150 GLY A 155 -1 O GLN A 150 N PHE A 134
SHEET 1 AA2 4 ALA A 3 ILE A 6 0
SHEET 2 AA2 4 ALA A 218 ASP A 222 -1 O ALA A 219 N ILE A 6
SHEET 3 AA2 4 PHE A 197 VAL A 207 -1 N THR A 198 O LYS A 220
SHEET 4 AA2 4 VAL A 212 VAL A 214 -1 O TYR A 213 N VAL A 206
SHEET 1 AA3 4 ALA A 32 VAL A 34 0
SHEET 2 AA3 4 PHE A 105 PRO A 109 -1 O PHE A 105 N VAL A 34
SHEET 3 AA3 4 LEU A 55 PRO A 59 -1 N VAL A 56 O GLU A 108
SHEET 4 AA3 4 GLY A 73 LEU A 76 -1 O LEU A 76 N LEU A 55
SHEET 1 AA4 2 GLU A 92 VAL A 95 0
SHEET 2 AA4 2 ALA A 98 PHE A 101 -1 O ALA A 98 N VAL A 95
SHEET 1 AA5 2 THR A 267 LEU A 268 0
SHEET 2 AA5 2 ASN A 303 TYR A 304 -1 O TYR A 304 N THR A 267
SHEET 1 AA6 4 ILE A 275 MET A 278 0
SHEET 2 AA6 4 ILE A 337 ILE A 340 1 O ILE A 337 N TRP A 276
SHEET 3 AA6 4 ILE A 375 ARG A 378 1 O PHE A 376 N ILE A 340
SHEET 4 AA6 4 ILE A 402 PHE A 405 1 O PHE A 405 N VAL A 377
SHEET 1 AA7 7 HIS A 537 TRP A 543 0
SHEET 2 AA7 7 LYS A 546 PHE A 553 -1 O ILE A 550 N GLN A 539
SHEET 3 AA7 7 ALA A 528 VAL A 530 1 N MET A 529 O PRO A 551
SHEET 4 AA7 7 ILE A 500 TRP A 502 1 N VAL A 501 O VAL A 530
SHEET 5 AA7 7 LEU A 569 ASN A 571 1 O ILE A 570 N ILE A 500
SHEET 6 AA7 7 THR A 593 ILE A 596 1 O ALA A 595 N ASN A 571
SHEET 7 AA7 7 THR A 619 ILE A 621 1 O THR A 619 N ILE A 594
SHEET 1 AA8 2 ILE A 629 LYS A 630 0
SHEET 2 AA8 2 PHE A 634 LYS A 635 -1 O PHE A 634 N LYS A 630
SHEET 1 AA9 4 VAL A 681 ALA A 686 0
SHEET 2 AA9 4 VAL A 657 SER A 661 1 N VAL A 657 O TYR A 682
SHEET 3 AA9 4 MET A 712 GLU A 718 1 O VAL A 714 N ALA A 658
SHEET 4 AA9 4 ILE A 740 ILE A 745 1 O ILE A 745 N GLY A 717
SHEET 1 AB1 2 MET A 823 ASP A 824 0
SHEET 2 AB1 2 ILE B 834 ARG B 835 1 O ARG B 835 N MET A 823
SHEET 1 AB2 2 ILE A 834 ARG A 835 0
SHEET 2 AB2 2 MET B 823 ASP B 824 1 O MET B 823 N ARG A 835
SHEET 1 AB3 6 ALA B 3 ILE B 6 0
SHEET 2 AB3 6 ALA B 218 ASP B 222 -1 O ALA B 219 N ILE B 6
SHEET 3 AB3 6 PHE B 197 VAL B 207 -1 N THR B 198 O LYS B 220
SHEET 4 AB3 6 GLU B 118 THR B 126 -1 N PHE B 119 O LEU B 205
SHEET 5 AB3 6 GLY B 129 HIS B 135 -1 O GLY B 129 N THR B 126
SHEET 6 AB3 6 GLN B 150 GLY B 155 -1 O GLN B 150 N PHE B 134
SHEET 1 AB4 4 ALA B 3 ILE B 6 0
SHEET 2 AB4 4 ALA B 218 ASP B 222 -1 O ALA B 219 N ILE B 6
SHEET 3 AB4 4 PHE B 197 VAL B 207 -1 N THR B 198 O LYS B 220
SHEET 4 AB4 4 VAL B 212 VAL B 214 -1 O TYR B 213 N VAL B 206
SHEET 1 AB5 4 ALA B 32 VAL B 34 0
SHEET 2 AB5 4 PHE B 105 PRO B 109 -1 O PHE B 105 N VAL B 34
SHEET 3 AB5 4 LEU B 55 PRO B 59 -1 N VAL B 56 O GLU B 108
SHEET 4 AB5 4 GLY B 73 LEU B 76 -1 O LEU B 76 N LEU B 55
SHEET 1 AB6 2 GLU B 92 VAL B 95 0
SHEET 2 AB6 2 ALA B 98 PHE B 101 -1 O ALA B 98 N VAL B 95
SHEET 1 AB7 2 THR B 267 LEU B 268 0
SHEET 2 AB7 2 ASN B 303 TYR B 304 -1 O TYR B 304 N THR B 267
SHEET 1 AB8 4 ILE B 275 MET B 278 0
SHEET 2 AB8 4 ILE B 337 ILE B 340 1 O ILE B 337 N TRP B 276
SHEET 3 AB8 4 ILE B 375 ARG B 378 1 O PHE B 376 N ILE B 340
SHEET 4 AB8 4 ILE B 402 PHE B 405 1 O PHE B 405 N VAL B 377
SHEET 1 AB9 7 HIS B 537 TRP B 543 0
SHEET 2 AB9 7 LYS B 546 PHE B 553 -1 O ILE B 550 N GLN B 539
SHEET 3 AB9 7 ALA B 528 VAL B 530 1 N MET B 529 O PRO B 551
SHEET 4 AB9 7 ILE B 500 TRP B 502 1 N VAL B 501 O VAL B 530
SHEET 5 AB9 7 LEU B 569 ASN B 571 1 O ILE B 570 N ILE B 500
SHEET 6 AB9 7 THR B 593 ILE B 596 1 O ALA B 595 N ASN B 571
SHEET 7 AB9 7 THR B 619 ILE B 621 1 O THR B 619 N ILE B 594
SHEET 1 AC1 2 ILE B 629 LYS B 630 0
SHEET 2 AC1 2 PHE B 634 LYS B 635 -1 O PHE B 634 N LYS B 630
SHEET 1 AC2 4 VAL B 681 ALA B 686 0
SHEET 2 AC2 4 VAL B 657 SER B 661 1 N VAL B 657 O TYR B 682
SHEET 3 AC2 4 MET B 712 GLU B 718 1 O VAL B 714 N ALA B 658
SHEET 4 AC2 4 ILE B 740 ILE B 745 1 O ILE B 745 N GLY B 717
SHEET 1 AC3 6 ALA C 3 ILE C 6 0
SHEET 2 AC3 6 ALA C 218 ASP C 222 -1 O ALA C 219 N ILE C 6
SHEET 3 AC3 6 PHE C 197 VAL C 207 -1 N THR C 198 O LYS C 220
SHEET 4 AC3 6 GLU C 118 THR C 126 -1 N PHE C 119 O LEU C 205
SHEET 5 AC3 6 GLY C 129 HIS C 135 -1 O GLY C 129 N THR C 126
SHEET 6 AC3 6 GLN C 150 GLY C 155 -1 O GLN C 150 N PHE C 134
SHEET 1 AC4 4 ALA C 3 ILE C 6 0
SHEET 2 AC4 4 ALA C 218 ASP C 222 -1 O ALA C 219 N ILE C 6
SHEET 3 AC4 4 PHE C 197 VAL C 207 -1 N THR C 198 O LYS C 220
SHEET 4 AC4 4 VAL C 212 VAL C 214 -1 O TYR C 213 N VAL C 206
SHEET 1 AC5 4 ALA C 32 VAL C 34 0
SHEET 2 AC5 4 PHE C 105 PRO C 109 -1 O PHE C 105 N VAL C 34
SHEET 3 AC5 4 LEU C 55 PRO C 59 -1 N VAL C 56 O GLU C 108
SHEET 4 AC5 4 GLY C 73 LEU C 76 -1 O LEU C 76 N LEU C 55
SHEET 1 AC6 2 GLU C 92 VAL C 95 0
SHEET 2 AC6 2 ALA C 98 PHE C 101 -1 O ALA C 98 N VAL C 95
SHEET 1 AC7 2 THR C 267 LEU C 268 0
SHEET 2 AC7 2 ASN C 303 TYR C 304 -1 O TYR C 304 N THR C 267
SHEET 1 AC8 4 ILE C 275 MET C 278 0
SHEET 2 AC8 4 ILE C 337 ILE C 340 1 O ILE C 337 N TRP C 276
SHEET 3 AC8 4 ILE C 375 ARG C 378 1 O PHE C 376 N ILE C 340
SHEET 4 AC8 4 ILE C 402 PHE C 405 1 O PHE C 405 N VAL C 377
SHEET 1 AC9 7 HIS C 537 TRP C 543 0
SHEET 2 AC9 7 LYS C 546 PHE C 553 -1 O ILE C 550 N GLN C 539
SHEET 3 AC9 7 ALA C 528 VAL C 530 1 N MET C 529 O PRO C 551
SHEET 4 AC9 7 ILE C 500 TRP C 502 1 N VAL C 501 O VAL C 530
SHEET 5 AC9 7 LEU C 569 ASN C 571 1 O ILE C 570 N ILE C 500
SHEET 6 AC9 7 THR C 593 ILE C 596 1 O ALA C 595 N ASN C 571
SHEET 7 AC9 7 THR C 619 ILE C 621 1 O THR C 619 N ILE C 594
SHEET 1 AD1 2 ILE C 629 LYS C 630 0
SHEET 2 AD1 2 PHE C 634 LYS C 635 -1 O PHE C 634 N LYS C 630
SHEET 1 AD2 4 VAL C 681 ALA C 686 0
SHEET 2 AD2 4 VAL C 657 SER C 661 1 N VAL C 657 O TYR C 682
SHEET 3 AD2 4 MET C 712 GLU C 718 1 O VAL C 714 N ALA C 658
SHEET 4 AD2 4 ILE C 740 ILE C 745 1 O ILE C 745 N GLY C 717
SHEET 1 AD3 2 MET C 823 ASP C 824 0
SHEET 2 AD3 2 ILE D 834 ARG D 835 1 O ARG D 835 N MET C 823
SHEET 1 AD4 2 ILE C 834 ARG C 835 0
SHEET 2 AD4 2 MET D 823 ASP D 824 1 O MET D 823 N ARG C 835
SHEET 1 AD5 6 ALA D 3 ILE D 6 0
SHEET 2 AD5 6 ALA D 218 ASP D 222 -1 O ALA D 219 N ILE D 6
SHEET 3 AD5 6 PHE D 197 VAL D 207 -1 N THR D 198 O LYS D 220
SHEET 4 AD5 6 GLU D 118 THR D 126 -1 N PHE D 119 O LEU D 205
SHEET 5 AD5 6 GLY D 129 HIS D 135 -1 O GLY D 129 N THR D 126
SHEET 6 AD5 6 GLN D 150 GLY D 155 -1 O GLN D 150 N PHE D 134
SHEET 1 AD6 4 ALA D 3 ILE D 6 0
SHEET 2 AD6 4 ALA D 218 ASP D 222 -1 O ALA D 219 N ILE D 6
SHEET 3 AD6 4 PHE D 197 VAL D 207 -1 N THR D 198 O LYS D 220
SHEET 4 AD6 4 VAL D 212 VAL D 214 -1 O TYR D 213 N VAL D 206
SHEET 1 AD7 4 ALA D 32 VAL D 34 0
SHEET 2 AD7 4 PHE D 105 PRO D 109 -1 O PHE D 105 N VAL D 34
SHEET 3 AD7 4 LEU D 55 PRO D 59 -1 N VAL D 56 O GLU D 108
SHEET 4 AD7 4 GLY D 73 LEU D 76 -1 O LEU D 76 N LEU D 55
SHEET 1 AD8 2 GLU D 92 VAL D 95 0
SHEET 2 AD8 2 ALA D 98 PHE D 101 -1 O ALA D 98 N VAL D 95
SHEET 1 AD9 2 THR D 267 LEU D 268 0
SHEET 2 AD9 2 ASN D 303 TYR D 304 -1 O TYR D 304 N THR D 267
SHEET 1 AE1 4 ILE D 275 MET D 278 0
SHEET 2 AE1 4 ILE D 337 ILE D 340 1 O ILE D 337 N TRP D 276
SHEET 3 AE1 4 ILE D 375 ARG D 378 1 O PHE D 376 N ILE D 340
SHEET 4 AE1 4 ILE D 402 PHE D 405 1 O PHE D 405 N VAL D 377
SHEET 1 AE2 7 HIS D 537 TRP D 543 0
SHEET 2 AE2 7 LYS D 546 PHE D 553 -1 O ILE D 550 N GLN D 539
SHEET 3 AE2 7 ALA D 528 VAL D 530 1 N MET D 529 O PRO D 551
SHEET 4 AE2 7 ILE D 500 TRP D 502 1 N VAL D 501 O VAL D 530
SHEET 5 AE2 7 LEU D 569 ASN D 571 1 O ILE D 570 N ILE D 500
SHEET 6 AE2 7 THR D 593 ILE D 596 1 O ALA D 595 N ASN D 571
SHEET 7 AE2 7 THR D 619 ILE D 621 1 O THR D 619 N ILE D 594
SHEET 1 AE3 2 ILE D 629 LYS D 630 0
SHEET 2 AE3 2 PHE D 634 LYS D 635 -1 O PHE D 634 N LYS D 630
SHEET 1 AE4 4 VAL D 681 ALA D 686 0
SHEET 2 AE4 4 VAL D 657 SER D 661 1 N VAL D 657 O TYR D 682
SHEET 3 AE4 4 MET D 712 GLU D 718 1 O VAL D 714 N ALA D 658
SHEET 4 AE4 4 ILE D 740 ILE D 745 1 O ILE D 745 N GLY D 717
CISPEP 1 ASN A 203 PRO A 204 0 1.02
CISPEP 2 GLY A 622 PRO A 623 0 -3.10
CISPEP 3 ASN B 203 PRO B 204 0 1.03
CISPEP 4 GLY B 622 PRO B 623 0 -3.51
CISPEP 5 ASN C 203 PRO C 204 0 1.05
CISPEP 6 GLY C 622 PRO C 623 0 -3.48
CISPEP 7 ASN D 203 PRO D 204 0 1.02
CISPEP 8 GLY D 622 PRO D 623 0 -3.25
SITE 1 AC1 13 MET A 278 ALA A 280 TYR A 307 ILE A 340
SITE 2 AC1 13 GLY A 341 GLY A 342 SER A 343 THR A 353
SITE 3 AC1 13 PHE A 354 ILE A 357 ARG A 378 ARG A 379
SITE 4 AC1 13 GLY A 380
SITE 1 AC2 12 VAL A 56 LYS A 58 ARG A 65 ARG A 66
SITE 2 AC2 12 GLY A 67 PRO A 109 PHE A 110 HIS A 113
SITE 3 AC2 12 VAL A 140 ASN A 203 LEU A 215 ASP A 216
SITE 1 AC3 13 MET B 278 ALA B 280 TYR B 307 ILE B 340
SITE 2 AC3 13 GLY B 341 GLY B 342 SER B 343 THR B 353
SITE 3 AC3 13 PHE B 354 ILE B 357 ARG B 378 ARG B 379
SITE 4 AC3 13 GLY B 380
SITE 1 AC4 12 VAL B 56 LYS B 58 ARG B 65 ARG B 66
SITE 2 AC4 12 GLY B 67 PRO B 109 PHE B 110 HIS B 113
SITE 3 AC4 12 VAL B 140 ASN B 203 LEU B 215 ASP B 216
SITE 1 AC5 13 MET C 278 ALA C 280 TYR C 307 ILE C 340
SITE 2 AC5 13 GLY C 341 GLY C 342 SER C 343 THR C 353
SITE 3 AC5 13 PHE C 354 ILE C 357 ARG C 378 ARG C 379
SITE 4 AC5 13 GLY C 380
SITE 1 AC6 12 VAL C 56 LYS C 58 ARG C 65 ARG C 66
SITE 2 AC6 12 GLY C 67 PRO C 109 PHE C 110 HIS C 113
SITE 3 AC6 12 VAL C 140 ASN C 203 LEU C 215 ASP C 216
SITE 1 AC7 13 MET D 278 ALA D 280 TYR D 307 ILE D 340
SITE 2 AC7 13 GLY D 341 GLY D 342 SER D 343 THR D 353
SITE 3 AC7 13 PHE D 354 ILE D 357 ARG D 378 ARG D 379
SITE 4 AC7 13 GLY D 380
SITE 1 AC8 12 VAL D 56 LYS D 58 ARG D 65 ARG D 66
SITE 2 AC8 12 GLY D 67 PRO D 109 PHE D 110 HIS D 113
SITE 3 AC8 12 VAL D 140 ASN D 203 LEU D 215 ASP D 216
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 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
(ATOM LINES ARE NOT SHOWN.)
END
