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executable file
·4235 lines (4235 loc) · 335 KB
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HEADER DNA BINDING PROTEIN/DNA 01-MAY-10 3MU6
TITLE INHIBITING THE BINDING OF CLASS IIA HISTONE DEACETYLASES TO MYOCYTE
TITLE 2 ENHANCER FACTOR-2 BY SMALL MOLECULES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MYOCYTE-SPECIFIC ENHANCER FACTOR 2A;
COMPND 3 CHAIN: A, B, C, D;
COMPND 4 SYNONYM: SERUM RESPONSE FACTOR-LIKE PROTEIN 1;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES;
COMPND 7 MOL_ID: 2;
COMPND 8 MOLECULE: DNA (5'-
COMPND 9 D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3');
COMPND 10 CHAIN: E, G;
COMPND 11 ENGINEERED: YES;
COMPND 12 MOL_ID: 3;
COMPND 13 MOLECULE: DNA (5'-
COMPND 14 D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3');
COMPND 15 CHAIN: F, H;
COMPND 16 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: MEF2A, MEF2;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 MOL_ID: 2;
SOURCE 9 SYNTHETIC: YES;
SOURCE 10 MOL_ID: 3;
SOURCE 11 SYNTHETIC: YES
KEYWDS MADS-BOX/MEF2 DOMAIN, TRANSCRIPTION CO-FACTORS, PROTEIN-DNA COMPLEX,
KEYWDS 2 PROTEIN-PROTEIN DOCKING, DNA BINDING PROTEIN-DNA COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR N.JAYATHILAKA,A.HAN,K.GAFFNEY,R.DEY,J.HE,J.YE,T.GAO,N.A.PETASIS,
AUTHOR 2 L.CHEN
REVDAT 4 25-JUL-12 3MU6 1 JRNL
REVDAT 3 21-MAR-12 3MU6 1 JRNL
REVDAT 2 22-FEB-12 3MU6 1 JRNL
REVDAT 1 02-NOV-11 3MU6 0
JRNL AUTH N.JAYATHILAKA,A.HAN,K.J.GAFFNEY,R.DEY,J.A.JARUSIEWICZ,
JRNL AUTH 2 K.NORIDOMI,M.A.PHILIPS,X.LEI,J.HE,J.YE,T.GAO,N.A.PETASIS,
JRNL AUTH 3 L.CHEN
JRNL TITL INHIBITION OF THE FUNCTION OF CLASS IIA HDACS BY BLOCKING
JRNL TITL 2 THEIR INTERACTION WITH MEF2.
JRNL REF NUCLEIC ACIDS RES. V. 40 5378 2012
JRNL REFN ISSN 0305-1048
JRNL PMID 22396528
JRNL DOI 10.1093/NAR/GKS189
REMARK 2
REMARK 2 RESOLUTION. 2.43 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE: 1.6.1_357)
REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN
REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-
REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,
REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL
REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE
REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM
REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,
REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER
REMARK 3 : ZWART
REMARK 3
REMARK 3 REFINEMENT TARGET : ML
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.43
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 33.44
REMARK 3 MIN(FOBS/SIGMA_FOBS) : 2.000
REMARK 3 COMPLETENESS FOR RANGE (%) : 94.8
REMARK 3 NUMBER OF REFLECTIONS : 19819
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 R VALUE (WORKING + TEST SET) : 0.231
REMARK 3 R VALUE (WORKING SET) : 0.230
REMARK 3 FREE R VALUE : 0.251
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.180
REMARK 3 FREE R VALUE TEST SET COUNT : 1026
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS).
REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE
REMARK 3 1 33.4470 - 4.6530 0.98 2733 158 0.1850 0.2020
REMARK 3 2 4.6530 - 3.6950 0.96 2695 176 0.1850 0.2000
REMARK 3 3 3.6950 - 3.2280 0.96 2707 127 0.1960 0.2340
REMARK 3 4 3.2280 - 2.9330 0.95 2707 141 0.2420 0.2660
REMARK 3 5 2.9330 - 2.7230 0.95 2703 142 0.2690 0.3180
REMARK 3 6 2.7230 - 2.5620 0.95 2664 142 0.2590 0.2920
REMARK 3 7 2.5620 - 2.4340 0.89 2584 140 0.2820 0.3210
REMARK 3
REMARK 3 BULK SOLVENT MODELLING.
REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL
REMARK 3 SOLVENT RADIUS : 1.11
REMARK 3 SHRINKAGE RADIUS : 0.90
REMARK 3 K_SOL : 0.36
REMARK 3 B_SOL : 21.40
REMARK 3
REMARK 3 ERROR ESTIMATES.
REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.370
REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : NULL
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.95
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : -5.58000
REMARK 3 B22 (A**2) : 7.44700
REMARK 3 B33 (A**2) : -1.86700
REMARK 3 B12 (A**2) : -0.45900
REMARK 3 B13 (A**2) : 0.83700
REMARK 3 B23 (A**2) : -11.44600
REMARK 3
REMARK 3 TWINNING INFORMATION.
REMARK 3 FRACTION: NULL
REMARK 3 OPERATOR: NULL
REMARK 3
REMARK 3 DEVIATIONS FROM IDEAL VALUES.
REMARK 3 RMSD COUNT
REMARK 3 BOND : 0.008 3946
REMARK 3 ANGLE : 1.330 5574
REMARK 3 CHIRALITY : 0.068 628
REMARK 3 PLANARITY : 0.004 456
REMARK 3 DIHEDRAL : 23.841 1605
REMARK 3
REMARK 3 TLS DETAILS
REMARK 3 NUMBER OF TLS GROUPS : NULL
REMARK 3
REMARK 3 NCS DETAILS
REMARK 3 NUMBER OF NCS GROUPS : 8
REMARK 3 NCS GROUP : 1
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A RESID 2:60
REMARK 3 SELECTION : CHAIN B RESID 2:60
REMARK 3 ATOM PAIRS NUMBER : 485
REMARK 3 RMSD : 0.019
REMARK 3 NCS GROUP : 2
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN C RESID 2:60
REMARK 3 SELECTION : CHAIN D RESID 2:60
REMARK 3 ATOM PAIRS NUMBER : 485
REMARK 3 RMSD : 0.012
REMARK 3 NCS GROUP : 3
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN C RESID 2:60
REMARK 3 SELECTION : CHAIN B RESID 2:60
REMARK 3 ATOM PAIRS NUMBER : 485
REMARK 3 RMSD : 0.016
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN C RESID 2:60
REMARK 3 SELECTION : CHAIN D RESID 2:60
REMARK 3 ATOM PAIRS NUMBER : 485
REMARK 3 RMSD : 0.012
REMARK 3 NCS GROUP : 4
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN A RESID 68:72
REMARK 3 SELECTION : CHAIN B RESID 68:72
REMARK 3 ATOM PAIRS NUMBER : 45
REMARK 3 RMSD : 0.015
REMARK 3 NCS GROUP : 5
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN C RESID 68:72
REMARK 3 SELECTION : CHAIN D RESID 68:72
REMARK 3 ATOM PAIRS NUMBER : 45
REMARK 3 RMSD : 0.008
REMARK 3 NCS GROUP : 6
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN C RESID 68:72
REMARK 3 SELECTION : CHAIN B RESID 68:72
REMARK 3 ATOM PAIRS NUMBER : 45
REMARK 3 RMSD : 0.012
REMARK 3 NCS OPERATOR : 2
REMARK 3 REFERENCE SELECTION: CHAIN C RESID 68:72
REMARK 3 SELECTION : CHAIN D RESID 68:72
REMARK 3 ATOM PAIRS NUMBER : 45
REMARK 3 RMSD : 0.008
REMARK 3 NCS GROUP : 7
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN E
REMARK 3 SELECTION : CHAIN G
REMARK 3 ATOM PAIRS NUMBER : 345
REMARK 3 RMSD : 0.013
REMARK 3 NCS GROUP : 8
REMARK 3 NCS OPERATOR : 1
REMARK 3 REFERENCE SELECTION: CHAIN F
REMARK 3 SELECTION : CHAIN H
REMARK 3 ATOM PAIRS NUMBER : 346
REMARK 3 RMSD : 0.013
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 3MU6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-MAY-10.
REMARK 100 THE RCSB ID CODE IS RCSB058998.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : NULL
REMARK 200 PH : 4.7
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : ROTATING ANODE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : OTHER
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL
REMARK 200 DATA SCALING SOFTWARE : HKL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 19854
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.430
REMARK 200 RESOLUTION RANGE LOW (A) : 50.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 95.6
REMARK 200 DATA REDUNDANCY : 2.400
REMARK 200 R MERGE (I) : 0.06700
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 18.5000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.43
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.52
REMARK 200 COMPLETENESS FOR SHELL (%) : 93.9
REMARK 200 DATA REDUNDANCY IN SHELL : 2.30
REMARK 200 R MERGE FOR SHELL (I) : 0.25500
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER
REMARK 200 STARTING MODEL: PDB ENTRY 1EGW
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 53.42
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.64
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 50 MM ACETIC ACID, 142MM NACL, 5MM
REMARK 280 MGCL2, 10MM CACL2, 3.3% GLYCEROL, 22.5% 3K PEG, PH 4.7, HANGING
REMARK 280 DROP, TEMPERATURE 291K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 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
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1, 2
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 8950 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 12140 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -57.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, E, F
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 350
REMARK 350 BIOMOLECULE: 2
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 8760 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 12160 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -56.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, G, H
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 DA E 1 C3' - C2' - C1' ANGL. DEV. = -4.9 DEGREES
REMARK 500 DA E 2 C3' - C2' - C1' ANGL. DEV. = -5.8 DEGREES
REMARK 500 DA E 2 O4' - C1' - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 DC E 5 O4' - C1' - N1 ANGL. DEV. = -4.8 DEGREES
REMARK 500 DT E 6 C3' - C2' - C1' ANGL. DEV. = -5.0 DEGREES
REMARK 500 DT E 8 C1' - O4' - C4' ANGL. DEV. = -7.0 DEGREES
REMARK 500 DT E 8 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES
REMARK 500 DA F 2 C3' - C2' - C1' ANGL. DEV. = -5.9 DEGREES
REMARK 500 DA F 2 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES
REMARK 500 DC F 5 O4' - C1' - N1 ANGL. DEV. = -5.0 DEGREES
REMARK 500 DA F 11 O4' - C1' - N9 ANGL. DEV. = -7.6 DEGREES
REMARK 500 DA G 2 C3' - C2' - C1' ANGL. DEV. = -6.1 DEGREES
REMARK 500 DA G 2 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES
REMARK 500 DC G 5 O4' - C1' - N1 ANGL. DEV. = -5.1 DEGREES
REMARK 500 DT G 6 C3' - C2' - C1' ANGL. DEV. = -4.9 DEGREES
REMARK 500 DT G 8 C1' - O4' - C4' ANGL. DEV. = -6.8 DEGREES
REMARK 500 DT G 8 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES
REMARK 500 DT G 11 O4' - C1' - N1 ANGL. DEV. = -4.2 DEGREES
REMARK 500 DT G 11 N3 - C2 - O2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 DA H 2 C3' - C2' - C1' ANGL. DEV. = -5.6 DEGREES
REMARK 500 DA H 2 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES
REMARK 500 DC H 5 O4' - C1' - N1 ANGL. DEV. = -4.9 DEGREES
REMARK 500 DT H 6 C3' - C2' - C1' ANGL. DEV. = -4.9 DEGREES
REMARK 500 DA H 10 O4' - C1' - N9 ANGL. DEV. = -4.3 DEGREES
REMARK 500 DA H 11 O4' - C1' - N9 ANGL. DEV. = -7.3 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 ASP A 40 70.35 54.41
REMARK 500 ASP B 40 70.37 54.49
REMARK 500 ASN B 49 -178.82 -69.99
REMARK 500 ASP C 40 71.01 53.71
REMARK 500 ASP D 40 70.64 54.68
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 BXL A 100
DBREF 3MU6 A 2 72 UNP Q02078 MEF2A_HUMAN 2 72
DBREF 3MU6 B 2 72 UNP Q02078 MEF2A_HUMAN 2 72
DBREF 3MU6 C 2 72 UNP Q02078 MEF2A_HUMAN 2 72
DBREF 3MU6 D 2 72 UNP Q02078 MEF2A_HUMAN 2 72
DBREF 3MU6 E 1 17 PDB 3MU6 3MU6 1 17
DBREF 3MU6 G 1 17 PDB 3MU6 3MU6 1 17
DBREF 3MU6 F 1 17 PDB 3MU6 3MU6 1 17
DBREF 3MU6 H 1 17 PDB 3MU6 3MU6 1 17
SEQADV 3MU6 ALA A 71 UNP Q02078 GLU 71 ENGINEERED MUTATION
SEQADV 3MU6 ALA B 71 UNP Q02078 GLU 71 ENGINEERED MUTATION
SEQADV 3MU6 ALA C 71 UNP Q02078 GLU 71 ENGINEERED MUTATION
SEQADV 3MU6 ALA D 71 UNP Q02078 GLU 71 ENGINEERED MUTATION
SEQRES 1 A 71 GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP GLU
SEQRES 2 A 71 ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE GLY
SEQRES 3 A 71 LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS ASP
SEQRES 4 A 71 CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN LYS
SEQRES 5 A 71 LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL LEU
SEQRES 6 A 71 LEU LYS TYR THR ALA TYR
SEQRES 1 B 71 GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP GLU
SEQRES 2 B 71 ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE GLY
SEQRES 3 B 71 LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS ASP
SEQRES 4 B 71 CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN LYS
SEQRES 5 B 71 LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL LEU
SEQRES 6 B 71 LEU LYS TYR THR ALA TYR
SEQRES 1 E 17 DA DA DA DG DC DT DA DT DT DA DT DT DA
SEQRES 2 E 17 DG DC DT DT
SEQRES 1 F 17 DT DA DA DG DC DT DA DA DT DA DA DT DA
SEQRES 2 F 17 DG DC DT DT
SEQRES 1 C 71 GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP GLU
SEQRES 2 C 71 ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE GLY
SEQRES 3 C 71 LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS ASP
SEQRES 4 C 71 CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN LYS
SEQRES 5 C 71 LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL LEU
SEQRES 6 C 71 LEU LYS TYR THR ALA TYR
SEQRES 1 D 71 GLY ARG LYS LYS ILE GLN ILE THR ARG ILE MET ASP GLU
SEQRES 2 D 71 ARG ASN ARG GLN VAL THR PHE THR LYS ARG LYS PHE GLY
SEQRES 3 D 71 LEU MET LYS LYS ALA TYR GLU LEU SER VAL LEU CYS ASP
SEQRES 4 D 71 CYS GLU ILE ALA LEU ILE ILE PHE ASN SER SER ASN LYS
SEQRES 5 D 71 LEU PHE GLN TYR ALA SER THR ASP MET ASP LYS VAL LEU
SEQRES 6 D 71 LEU LYS TYR THR ALA TYR
SEQRES 1 G 17 DA DA DA DG DC DT DA DT DT DA DT DT DA
SEQRES 2 G 17 DG DC DT DT
SEQRES 1 H 17 DT DA DA DG DC DT DA DA DT DA DA DT DA
SEQRES 2 H 17 DG DC DT DT
HET BXL A 100 25
HETNAM BXL (3E)-N~8~-(2-AMINOPHENYL)-N~1~-PHENYLOCT-3-ENEDIAMIDE
FORMUL 9 BXL C20 H23 N3 O2
HELIX 1 1 ASP A 13 ASP A 40 1 28
HELIX 2 2 ASP A 61 ALA A 71 1 11
HELIX 3 3 ASP B 13 ASP B 40 1 28
HELIX 4 4 ASP B 61 TYR B 72 1 12
HELIX 5 5 ASP C 13 ASP C 40 1 28
HELIX 6 6 ASP C 61 TYR C 72 1 12
HELIX 7 7 ASP D 13 ASP D 40 1 28
HELIX 8 8 ASP D 61 TYR D 72 1 12
SHEET 1 A 4 LEU A 54 ALA A 58 0
SHEET 2 A 4 GLU A 42 PHE A 48 -1 N ILE A 47 O PHE A 55
SHEET 3 A 4 GLU B 42 PHE B 48 -1 O ALA B 44 N ILE A 46
SHEET 4 A 4 LEU B 54 ALA B 58 -1 O PHE B 55 N ILE B 47
SHEET 1 B 4 LEU C 54 ALA C 58 0
SHEET 2 B 4 GLU C 42 PHE C 48 -1 N ILE C 47 O PHE C 55
SHEET 3 B 4 GLU D 42 PHE D 48 -1 O ALA D 44 N ILE C 46
SHEET 4 B 4 LEU D 54 ALA D 58 -1 O PHE D 55 N ILE D 47
SITE 1 AC1 11 ASP A 61 MET A 62 ASP A 63 LEU A 66
SITE 2 AC1 11 LEU A 67 THR A 70 LEU B 66 LEU B 67
SITE 3 AC1 11 TYR B 69 THR B 70 DT G 17
CRYST1 41.567 61.622 61.478 114.12 89.99 89.95 P 1 4
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 0.024058 -0.000021 -0.000013 0.00000
SCALE2 0.000000 0.016228 0.007267 0.00000
SCALE3 0.000000 0.000000 0.017822 0.00000
ATOM 1 N GLY A 2 5.575 9.550 -0.069 1.00 37.43 N
ATOM 2 CA GLY A 2 6.459 10.269 0.829 1.00 37.67 C
ATOM 3 C GLY A 2 7.284 11.311 0.102 1.00 41.28 C
ATOM 4 O GLY A 2 7.243 11.398 -1.128 1.00 43.13 O
ATOM 5 N ARG A 3 8.034 12.109 0.859 1.00 36.53 N
ATOM 6 CA ARG A 3 8.833 13.177 0.270 1.00 36.87 C
ATOM 7 C ARG A 3 9.808 12.612 -0.759 1.00 39.90 C
ATOM 8 O ARG A 3 10.088 13.235 -1.788 1.00 42.29 O
ATOM 9 CB ARG A 3 9.574 13.959 1.358 1.00 35.75 C
ATOM 10 CG ARG A 3 8.666 14.809 2.235 1.00 35.45 C
ATOM 11 CD ARG A 3 7.654 15.591 1.398 1.00 40.13 C
ATOM 12 NE ARG A 3 6.829 16.490 2.205 1.00 35.97 N
ATOM 13 CZ ARG A 3 7.251 17.650 2.701 1.00 41.01 C
ATOM 14 NH1 ARG A 3 8.498 18.054 2.489 1.00 32.39 N
ATOM 15 NH2 ARG A 3 6.430 18.403 3.418 1.00 37.96 N
ATOM 16 N LYS A 4 10.316 11.419 -0.476 1.00 35.99 N
ATOM 17 CA LYS A 4 11.166 10.708 -1.412 1.00 37.85 C
ATOM 18 C LYS A 4 10.770 9.239 -1.457 1.00 41.85 C
ATOM 19 O LYS A 4 10.353 8.661 -0.446 1.00 34.10 O
ATOM 20 CB LYS A 4 12.634 10.833 -1.009 1.00 39.05 C
ATOM 21 CG LYS A 4 13.225 12.225 -1.189 1.00 41.65 C
ATOM 22 CD LYS A 4 14.521 12.350 -0.392 1.00 42.40 C
ATOM 23 CE LYS A 4 15.070 13.770 -0.427 1.00 55.85 C
ATOM 24 NZ LYS A 4 14.160 14.745 0.267 1.00 49.60 N
ATOM 25 N LYS A 5 10.892 8.640 -2.636 1.00 44.70 N
ATOM 26 CA LYS A 5 10.736 7.204 -2.755 1.00 42.05 C
ATOM 27 C LYS A 5 11.849 6.560 -1.955 1.00 44.48 C
ATOM 28 O LYS A 5 12.978 7.052 -1.960 1.00 49.44 O
ATOM 29 CB LYS A 5 10.830 6.760 -4.215 1.00 39.38 C
ATOM 30 CG LYS A 5 10.879 5.244 -4.384 1.00 46.86 C
ATOM 31 CD LYS A 5 10.473 4.816 -5.789 1.00 42.73 C
ATOM 32 CE LYS A 5 10.384 3.308 -5.879 1.00 46.74 C
ATOM 33 NZ LYS A 5 10.226 2.841 -7.284 1.00 52.13 N
ATOM 34 N ILE A 6 11.531 5.480 -1.249 1.00 42.29 N
ATOM 35 CA ILE A 6 12.556 4.686 -0.582 1.00 40.28 C
ATOM 36 C ILE A 6 12.705 3.303 -1.200 1.00 45.91 C
ATOM 37 O ILE A 6 11.926 2.895 -2.066 1.00 46.90 O
ATOM 38 CB ILE A 6 12.267 4.507 0.907 1.00 43.50 C
ATOM 39 CG1 ILE A 6 11.075 3.574 1.113 1.00 38.89 C
ATOM 40 CG2 ILE A 6 12.060 5.863 1.575 1.00 46.36 C
ATOM 41 CD1 ILE A 6 10.850 3.210 2.567 1.00 40.00 C
ATOM 42 N GLN A 7 13.720 2.584 -0.751 1.00 39.31 N
ATOM 43 CA GLN A 7 13.922 1.222 -1.194 1.00 38.57 C
ATOM 44 C GLN A 7 13.577 0.304 -0.051 1.00 36.76 C
ATOM 45 O GLN A 7 13.749 0.658 1.108 1.00 36.32 O
ATOM 46 CB GLN A 7 15.361 0.995 -1.659 1.00 47.32 C
ATOM 47 CG GLN A 7 15.542 1.111 -3.172 1.00 49.53 C
ATOM 48 CD GLN A 7 14.792 0.023 -3.950 1.00 65.95 C
ATOM 49 OE1 GLN A 7 13.797 -0.540 -3.470 1.00 70.00 O
ATOM 50 NE2 GLN A 7 15.277 -0.281 -5.157 1.00 65.34 N
ATOM 51 N ILE A 8 13.061 -0.873 -0.381 1.00 28.60 N
ATOM 52 CA ILE A 8 12.614 -1.811 0.635 1.00 21.31 C
ATOM 53 C ILE A 8 13.797 -2.588 1.199 1.00 24.56 C
ATOM 54 O ILE A 8 14.131 -3.684 0.745 1.00 25.31 O
ATOM 55 CB ILE A 8 11.503 -2.733 0.090 1.00 21.07 C
ATOM 56 CG1 ILE A 8 10.277 -1.882 -0.274 1.00 27.24 C
ATOM 57 CG2 ILE A 8 11.104 -3.785 1.100 1.00 18.29 C
ATOM 58 CD1 ILE A 8 9.844 -0.930 0.829 1.00 21.77 C
ATOM 59 N THR A 9 14.442 -2.006 2.199 1.00 24.91 N
ATOM 60 CA THR A 9 15.525 -2.700 2.879 1.00 25.33 C
ATOM 61 C THR A 9 15.546 -2.286 4.346 1.00 22.80 C
ATOM 62 O THR A 9 15.135 -1.172 4.686 1.00 26.40 O
ATOM 63 CB THR A 9 16.885 -2.433 2.192 1.00 29.35 C
ATOM 64 OG1 THR A 9 17.893 -3.286 2.763 1.00 36.06 O
ATOM 65 CG2 THR A 9 17.286 -0.958 2.327 1.00 21.75 C
ATOM 66 N ARG A 10 16.000 -3.194 5.207 1.00 22.43 N
ATOM 67 CA ARG A 10 16.042 -2.970 6.653 1.00 27.87 C
ATOM 68 C ARG A 10 16.627 -1.609 7.026 1.00 26.18 C
ATOM 69 O ARG A 10 17.738 -1.267 6.630 1.00 26.99 O
ATOM 70 CB ARG A 10 16.824 -4.084 7.349 1.00 25.57 C
ATOM 71 CG ARG A 10 16.809 -4.000 8.860 1.00 25.23 C
ATOM 72 CD ARG A 10 17.695 -5.076 9.476 1.00 25.93 C
ATOM 73 NE ARG A 10 17.771 -4.963 10.931 1.00 42.08 N
ATOM 74 CZ ARG A 10 18.528 -4.076 11.577 1.00 35.66 C
ATOM 75 NH1 ARG A 10 19.275 -3.224 10.888 1.00 40.17 N
ATOM 76 NH2 ARG A 10 18.541 -4.039 12.906 1.00 33.07 N
ATOM 77 N ILE A 11 15.846 -0.836 7.766 1.00 17.72 N
ATOM 78 CA ILE A 11 16.243 0.476 8.237 1.00 20.89 C
ATOM 79 C ILE A 11 17.246 0.311 9.378 1.00 24.60 C
ATOM 80 O ILE A 11 16.970 -0.379 10.368 1.00 25.48 O
ATOM 81 CB ILE A 11 15.012 1.276 8.726 1.00 25.62 C
ATOM 82 CG1 ILE A 11 14.090 1.594 7.551 1.00 19.04 C
ATOM 83 CG2 ILE A 11 15.427 2.563 9.410 1.00 18.81 C
ATOM 84 CD1 ILE A 11 12.763 2.144 7.971 1.00 20.93 C
ATOM 85 N MET A 12 18.412 0.928 9.227 1.00 25.64 N
ATOM 86 CA MET A 12 19.529 0.645 10.113 1.00 32.44 C
ATOM 87 C MET A 12 19.452 1.455 11.403 1.00 32.04 C
ATOM 88 O MET A 12 19.974 1.033 12.429 1.00 31.33 O
ATOM 89 CB MET A 12 20.863 0.887 9.395 1.00 27.59 C
ATOM 90 CG MET A 12 21.088 -0.002 8.166 1.00 32.66 C
ATOM 91 SD MET A 12 21.125 -1.782 8.515 1.00 34.62 S
ATOM 92 CE MET A 12 22.665 -1.897 9.454 1.00 28.79 C
ATOM 93 N ASP A 13 18.798 2.612 11.333 1.00 49.91 N
ATOM 94 CA ASP A 13 18.649 3.514 12.473 1.00 52.42 C
ATOM 95 C ASP A 13 17.459 3.109 13.342 1.00 47.84 C
ATOM 96 O ASP A 13 16.310 3.211 12.912 1.00 45.85 O
ATOM 97 CB ASP A 13 18.458 4.949 11.970 1.00 52.51 C
ATOM 98 CG ASP A 13 17.975 5.900 13.063 1.00 68.70 C
ATOM 99 OD1 ASP A 13 18.517 5.849 14.192 1.00 75.43 O
ATOM 100 OD2 ASP A 13 17.050 6.703 12.793 1.00 63.85 O
ATOM 101 N GLU A 14 17.744 2.651 14.558 1.00 24.96 N
ATOM 102 CA GLU A 14 16.710 2.232 15.509 1.00 30.60 C
ATOM 103 C GLU A 14 15.637 3.298 15.749 1.00 35.94 C
ATOM 104 O GLU A 14 14.477 2.979 15.999 1.00 28.20 O
ATOM 105 CB GLU A 14 17.339 1.833 16.844 1.00 28.13 C
ATOM 106 CG GLU A 14 16.373 1.628 18.002 1.00 30.50 C
ATOM 107 CD GLU A 14 17.106 1.480 19.353 1.00 58.38 C
ATOM 108 OE1 GLU A 14 17.873 2.402 19.731 1.00 64.04 O
ATOM 109 OE2 GLU A 14 16.926 0.441 20.036 1.00 48.91 O
ATOM 110 N ARG A 15 16.015 4.567 15.673 1.00 45.12 N
ATOM 111 CA ARG A 15 15.037 5.628 15.862 1.00 37.83 C
ATOM 112 C ARG A 15 14.045 5.693 14.697 1.00 33.44 C
ATOM 113 O ARG A 15 12.849 5.545 14.911 1.00 29.68 O
ATOM 114 CB ARG A 15 15.725 6.975 16.105 1.00 46.72 C
ATOM 115 CG ARG A 15 14.797 8.176 16.055 1.00 52.26 C
ATOM 116 CD ARG A 15 15.219 9.259 17.046 1.00 63.25 C
ATOM 117 NE ARG A 15 14.468 9.181 18.301 1.00 69.71 N
ATOM 118 CZ ARG A 15 14.907 8.588 19.411 1.00 66.17 C
ATOM 119 NH1 ARG A 15 16.109 8.017 19.433 1.00 74.36 N
ATOM 120 NH2 ARG A 15 14.143 8.572 20.504 1.00 48.24 N
ATOM 121 N ASN A 16 14.529 5.896 13.470 1.00 34.93 N
ATOM 122 CA ASN A 16 13.628 5.920 12.314 1.00 31.39 C
ATOM 123 C ASN A 16 12.935 4.572 12.119 1.00 27.29 C
ATOM 124 O ASN A 16 11.882 4.491 11.494 1.00 26.44 O
ATOM 125 CB ASN A 16 14.347 6.339 11.016 1.00 36.68 C
ATOM 126 CG ASN A 16 13.395 6.339 9.773 1.00 44.96 C
ATOM 127 OD1 ASN A 16 12.308 6.929 9.802 1.00 35.27 O
ATOM 128 ND2 ASN A 16 13.809 5.664 8.694 1.00 31.52 N
ATOM 129 N ARG A 17 13.518 3.503 12.647 1.00 19.71 N
ATOM 130 CA ARG A 17 12.926 2.202 12.409 1.00 22.56 C
ATOM 131 C ARG A 17 11.718 2.018 13.305 1.00 23.82 C
ATOM 132 O ARG A 17 10.716 1.421 12.899 1.00 22.35 O
ATOM 133 CB ARG A 17 13.925 1.068 12.610 1.00 19.22 C
ATOM 134 CG ARG A 17 13.325 -0.298 12.350 1.00 19.81 C
ATOM 135 CD ARG A 17 14.382 -1.411 12.393 1.00 23.68 C
ATOM 136 NE ARG A 17 14.964 -1.508 13.724 1.00 27.45 N
ATOM 137 CZ ARG A 17 16.221 -1.196 14.029 1.00 30.60 C
ATOM 138 NH1 ARG A 17 17.083 -0.796 13.086 1.00 23.49 N
ATOM 139 NH2 ARG A 17 16.617 -1.305 15.291 1.00 31.19 N
ATOM 140 N GLN A 18 11.815 2.533 14.524 1.00 28.67 N
ATOM 141 CA GLN A 18 10.702 2.470 15.458 1.00 30.05 C
ATOM 142 C GLN A 18 9.532 3.337 14.964 1.00 26.37 C
ATOM 143 O GLN A 18 8.372 2.928 15.036 1.00 21.68 O
ATOM 144 CB GLN A 18 11.162 2.902 16.857 1.00 26.19 C
ATOM 145 CG GLN A 18 10.037 3.087 17.863 1.00 27.33 C
ATOM 146 CD GLN A 18 9.145 1.862 17.979 1.00 41.62 C
ATOM 147 OE1 GLN A 18 9.479 0.780 17.493 1.00 49.58 O
ATOM 148 NE2 GLN A 18 7.995 2.033 18.623 1.00 51.62 N
ATOM 149 N VAL A 19 9.859 4.525 14.454 1.00 26.69 N
ATOM 150 CA VAL A 19 8.880 5.458 13.916 1.00 25.58 C
ATOM 151 C VAL A 19 8.171 4.897 12.685 1.00 29.53 C
ATOM 152 O VAL A 19 6.944 4.959 12.573 1.00 29.31 O
ATOM 153 CB VAL A 19 9.544 6.785 13.525 1.00 28.11 C
ATOM 154 CG1 VAL A 19 8.638 7.589 12.598 1.00 26.22 C
ATOM 155 CG2 VAL A 19 9.890 7.581 14.769 1.00 25.92 C
ATOM 156 N THR A 20 8.944 4.358 11.753 1.00 25.25 N
ATOM 157 CA THR A 20 8.357 3.798 10.553 1.00 26.44 C
ATOM 158 C THR A 20 7.480 2.613 10.930 1.00 25.96 C
ATOM 159 O THR A 20 6.402 2.391 10.360 1.00 23.52 O
ATOM 160 CB THR A 20 9.432 3.330 9.580 1.00 28.74 C
ATOM 161 OG1 THR A 20 10.046 4.475 8.978 1.00 27.39 O
ATOM 162 CG2 THR A 20 8.811 2.444 8.499 1.00 23.99 C
ATOM 163 N PHE A 21 7.948 1.848 11.901 1.00 21.30 N
ATOM 164 CA PHE A 21 7.191 0.690 12.347 1.00 23.64 C
ATOM 165 C PHE A 21 5.826 1.070 12.933 1.00 22.56 C
ATOM 166 O PHE A 21 4.832 0.385 12.691 1.00 21.93 O
ATOM 167 CB PHE A 21 7.991 -0.134 13.352 1.00 19.28 C
ATOM 168 CG PHE A 21 7.171 -1.160 14.063 1.00 21.22 C
ATOM 169 CD1 PHE A 21 6.963 -2.414 13.497 1.00 16.48 C
ATOM 170 CD2 PHE A 21 6.595 -0.870 15.289 1.00 21.41 C
ATOM 171 CE1 PHE A 21 6.212 -3.374 14.147 1.00 19.29 C
ATOM 172 CE2 PHE A 21 5.828 -1.820 15.950 1.00 21.67 C
ATOM 173 CZ PHE A 21 5.638 -3.078 15.385 1.00 26.30 C
ATOM 174 N THR A 22 5.775 2.146 13.707 1.00 17.58 N
ATOM 175 CA THR A 22 4.507 2.574 14.285 1.00 18.16 C
ATOM 176 C THR A 22 3.555 3.118 13.209 1.00 16.72 C
ATOM 177 O THR A 22 2.364 2.824 13.230 1.00 17.63 O
ATOM 178 CB THR A 22 4.690 3.620 15.433 1.00 19.35 C
ATOM 179 OG1 THR A 22 5.318 3.005 16.570 1.00 16.43 O
ATOM 180 CG2 THR A 22 3.343 4.167 15.856 1.00 12.98 C
ATOM 181 N LYS A 23 4.068 3.910 12.270 1.00 20.63 N
ATOM 182 CA LYS A 23 3.221 4.401 11.194 1.00 21.61 C
ATOM 183 C LYS A 23 2.671 3.248 10.360 1.00 21.00 C
ATOM 184 O LYS A 23 1.463 3.121 10.204 1.00 21.48 O
ATOM 185 CB LYS A 23 3.958 5.393 10.287 1.00 24.94 C
ATOM 186 CG LYS A 23 4.249 6.749 10.921 1.00 31.26 C
ATOM 187 CD LYS A 23 5.117 7.597 9.974 1.00 34.48 C
ATOM 188 CE LYS A 23 5.373 8.981 10.538 1.00 37.90 C
ATOM 189 NZ LYS A 23 6.480 9.674 9.820 1.00 35.94 N
ATOM 190 N ARG A 24 3.556 2.405 9.838 1.00 17.45 N
ATOM 191 CA ARG A 24 3.138 1.337 8.917 1.00 16.91 C
ATOM 192 C ARG A 24 2.330 0.213 9.584 1.00 18.76 C
ATOM 193 O ARG A 24 1.508 -0.428 8.910 1.00 17.41 O
ATOM 194 CB ARG A 24 4.324 0.758 8.152 1.00 14.35 C
ATOM 195 CG ARG A 24 4.812 1.610 6.965 1.00 15.77 C
ATOM 196 CD ARG A 24 6.066 0.984 6.304 1.00 14.92 C
ATOM 197 NE ARG A 24 6.432 1.680 5.073 1.00 17.18 N
ATOM 198 CZ ARG A 24 6.059 1.299 3.851 1.00 18.96 C
ATOM 199 NH1 ARG A 24 5.316 0.205 3.671 1.00 18.77 N
ATOM 200 NH2 ARG A 24 6.427 2.011 2.802 1.00 14.28 N
ATOM 201 N LYS A 25 2.542 -0.028 10.886 1.00 20.69 N
ATOM 202 CA LYS A 25 1.756 -1.048 11.596 1.00 21.39 C
ATOM 203 C LYS A 25 0.306 -0.628 11.618 1.00 21.29 C
ATOM 204 O LYS A 25 -0.593 -1.401 11.313 1.00 21.49 O
ATOM 205 CB LYS A 25 2.229 -1.252 13.033 1.00 27.26 C
ATOM 206 CG LYS A 25 1.220 -2.022 13.904 1.00 23.48 C
ATOM 207 CD LYS A 25 1.887 -2.697 15.114 1.00 29.15 C
ATOM 208 CE LYS A 25 2.449 -1.694 16.152 1.00 25.17 C
ATOM 209 NZ LYS A 25 1.389 -0.919 16.871 1.00 22.42 N
ATOM 210 N PHE A 26 0.088 0.621 11.982 1.00 16.20 N
ATOM 211 CA PHE A 26 -1.231 1.211 11.894 1.00 18.59 C
ATOM 212 C PHE A 26 -1.819 1.054 10.464 1.00 18.35 C
ATOM 213 O PHE A 26 -2.915 0.528 10.284 1.00 19.72 O
ATOM 214 CB PHE A 26 -1.140 2.678 12.291 1.00 15.43 C
ATOM 215 CG PHE A 26 -2.462 3.360 12.367 1.00 19.61 C
ATOM 216 CD1 PHE A 26 -3.087 3.558 13.597 1.00 22.10 C
ATOM 217 CD2 PHE A 26 -3.084 3.814 11.215 1.00 17.91 C
ATOM 218 CE1 PHE A 26 -4.311 4.197 13.674 1.00 22.98 C
ATOM 219 CE2 PHE A 26 -4.310 4.447 11.285 1.00 20.98 C
ATOM 220 CZ PHE A 26 -4.926 4.642 12.522 1.00 27.57 C
ATOM 221 N GLY A 27 -1.074 1.504 9.459 1.00 24.31 N
ATOM 222 CA GLY A 27 -1.470 1.365 8.067 1.00 22.53 C
ATOM 223 C GLY A 27 -1.795 -0.060 7.669 1.00 20.72 C
ATOM 224 O GLY A 27 -2.712 -0.283 6.888 1.00 22.49 O
ATOM 225 N LEU A 28 -1.055 -1.027 8.205 1.00 19.48 N
ATOM 226 CA LEU A 28 -1.281 -2.434 7.857 1.00 19.97 C
ATOM 227 C LEU A 28 -2.569 -2.982 8.491 1.00 19.03 C
ATOM 228 O LEU A 28 -3.333 -3.701 7.842 1.00 17.17 O
ATOM 229 CB LEU A 28 -0.083 -3.303 8.251 1.00 22.77 C
ATOM 230 CG LEU A 28 -0.174 -4.794 7.870 1.00 19.35 C
ATOM 231 CD1 LEU A 28 -0.238 -4.968 6.391 1.00 16.16 C
ATOM 232 CD2 LEU A 28 0.992 -5.603 8.442 1.00 17.06 C
ATOM 233 N MET A 29 -2.814 -2.612 9.746 1.00 23.31 N
ATOM 234 CA MET A 29 -4.019 -3.040 10.450 1.00 20.42 C
ATOM 235 C MET A 29 -5.234 -2.379 9.826 1.00 18.52 C
ATOM 236 O MET A 29 -6.273 -2.999 9.662 1.00 17.08 O
ATOM 237 CB MET A 29 -3.935 -2.715 11.942 1.00 20.80 C
ATOM 238 CG MET A 29 -2.802 -3.424 12.698 1.00 20.46 C
ATOM 239 SD MET A 29 -3.196 -3.558 14.483 1.00 23.23 S
ATOM 240 CE MET A 29 -1.703 -4.396 15.039 1.00 25.56 C
ATOM 241 N LYS A 30 -5.099 -1.116 9.458 1.00 19.79 N
ATOM 242 CA LYS A 30 -6.213 -0.418 8.826 1.00 20.45 C
ATOM 243 C LYS A 30 -6.673 -1.153 7.560 1.00 20.16 C
ATOM 244 O LYS A 30 -7.863 -1.425 7.391 1.00 22.52 O
ATOM 245 CB LYS A 30 -5.856 1.037 8.529 1.00 19.22 C
ATOM 246 CG LYS A 30 -7.031 1.861 8.033 1.00 27.65 C
ATOM 247 CD LYS A 30 -6.675 3.337 7.898 1.00 27.41 C
ATOM 248 CE LYS A 30 -7.834 4.136 7.303 1.00 34.07 C
ATOM 249 NZ LYS A 30 -7.369 5.360 6.566 1.00 29.18 N
ATOM 250 N LYS A 31 -5.740 -1.505 6.678 1.00 18.41 N
ATOM 251 CA LYS A 31 -6.120 -2.247 5.468 1.00 21.62 C
ATOM 252 C LYS A 31 -6.648 -3.660 5.751 1.00 17.18 C
ATOM 253 O LYS A 31 -7.589 -4.112 5.108 1.00 20.62 O
ATOM 254 CB LYS A 31 -4.987 -2.237 4.430 1.00 18.43 C
ATOM 255 CG LYS A 31 -4.889 -0.887 3.732 1.00 19.58 C
ATOM 256 CD LYS A 31 -3.759 -0.804 2.722 1.00 21.79 C
ATOM 257 CE LYS A 31 -3.793 0.540 1.999 1.00 21.12 C
ATOM 258 NZ LYS A 31 -5.101 0.765 1.298 1.00 20.80 N
ATOM 259 N ALA A 32 -6.073 -4.339 6.737 1.00 12.81 N
ATOM 260 CA ALA A 32 -6.552 -5.665 7.092 1.00 12.76 C
ATOM 261 C ALA A 32 -8.027 -5.572 7.503 1.00 17.06 C
ATOM 262 O ALA A 32 -8.859 -6.311 6.979 1.00 16.81 O
ATOM 263 CB ALA A 32 -5.698 -6.273 8.203 1.00 12.04 C
ATOM 264 N TYR A 33 -8.340 -4.653 8.421 1.00 22.71 N
ATOM 265 CA TYR A 33 -9.717 -4.353 8.822 1.00 22.42 C
ATOM 266 C TYR A 33 -10.652 -4.019 7.643 1.00 25.39 C
ATOM 267 O TYR A 33 -11.762 -4.551 7.546 1.00 25.91 O
ATOM 268 CB TYR A 33 -9.738 -3.212 9.858 1.00 26.96 C
ATOM 269 CG TYR A 33 -11.075 -2.507 9.981 1.00 25.28 C
ATOM 270 CD1 TYR A 33 -12.116 -3.083 10.691 1.00 29.61 C
ATOM 271 CD2 TYR A 33 -11.299 -1.272 9.380 1.00 26.95 C
ATOM 272 CE1 TYR A 33 -13.345 -2.456 10.807 1.00 31.21 C
ATOM 273 CE2 TYR A 33 -12.537 -0.630 9.483 1.00 26.61 C
ATOM 274 CZ TYR A 33 -13.550 -1.230 10.202 1.00 32.47 C
ATOM 275 OH TYR A 33 -14.781 -0.618 10.329 1.00 31.47 O
ATOM 276 N GLU A 34 -10.210 -3.134 6.755 1.00 22.23 N
ATOM 277 CA GLU A 34 -11.014 -2.760 5.599 1.00 20.99 C
ATOM 278 C GLU A 34 -11.270 -3.956 4.702 1.00 21.53 C
ATOM 279 O GLU A 34 -12.375 -4.118 4.165 1.00 21.23 O
ATOM 280 CB GLU A 34 -10.356 -1.628 4.816 1.00 20.19 C
ATOM 281 CG GLU A 34 -10.337 -0.301 5.569 1.00 19.43 C
ATOM 282 CD GLU A 34 -9.700 0.817 4.766 1.00 20.97 C
ATOM 283 OE1 GLU A 34 -9.029 0.518 3.750 1.00 22.07 O
ATOM 284 OE2 GLU A 34 -9.869 1.992 5.140 1.00 18.69 O
ATOM 285 N LEU A 35 -10.269 -4.818 4.558 1.00 18.82 N
ATOM 286 CA LEU A 35 -10.465 -6.018 3.736 1.00 19.26 C
ATOM 287 C LEU A 35 -11.450 -7.005 4.378 1.00 20.41 C
ATOM 288 O LEU A 35 -12.262 -7.636 3.685 1.00 21.84 O
ATOM 289 CB LEU A 35 -9.145 -6.710 3.404 1.00 16.37 C
ATOM 290 CG LEU A 35 -9.337 -7.950 2.542 1.00 18.85 C
ATOM 291 CD1 LEU A 35 -9.801 -7.543 1.155 1.00 17.21 C
ATOM 292 CD2 LEU A 35 -8.068 -8.763 2.465 1.00 17.92 C
ATOM 293 N SER A 36 -11.388 -7.143 5.695 1.00 22.47 N
ATOM 294 CA SER A 36 -12.345 -7.991 6.396 1.00 27.69 C
ATOM 295 C SER A 36 -13.792 -7.521 6.167 1.00 24.64 C
ATOM 296 O SER A 36 -14.680 -8.322 5.912 1.00 26.40 O
ATOM 297 CB SER A 36 -12.036 -8.023 7.894 1.00 29.06 C
ATOM 298 OG SER A 36 -12.968 -8.844 8.575 1.00 28.56 O
ATOM 299 N VAL A 37 -14.017 -6.215 6.250 1.00 20.71 N
ATOM 300 CA VAL A 37 -15.359 -5.661 6.145 1.00 20.08 C
ATOM 301 C VAL A 37 -15.850 -5.644 4.698 1.00 21.89 C
ATOM 302 O VAL A 37 -16.960 -6.083 4.407 1.00 21.68 O
ATOM 303 CB VAL A 37 -15.420 -4.230 6.713 1.00 20.87 C
ATOM 304 CG1 VAL A 37 -16.713 -3.523 6.300 1.00 17.72 C
ATOM 305 CG2 VAL A 37 -15.273 -4.254 8.221 1.00 22.07 C
ATOM 306 N LEU A 38 -15.034 -5.118 3.794 1.00 25.83 N
ATOM 307 CA LEU A 38 -15.443 -4.994 2.404 1.00 22.13 C
ATOM 308 C LEU A 38 -15.770 -6.349 1.792 1.00 23.78 C
ATOM 309 O LEU A 38 -16.752 -6.485 1.049 1.00 25.93 O
ATOM 310 CB LEU A 38 -14.337 -4.341 1.577 1.00 21.55 C
ATOM 311 CG LEU A 38 -14.019 -2.872 1.805 1.00 19.97 C
ATOM 312 CD1 LEU A 38 -12.673 -2.543 1.166 1.00 18.12 C
ATOM 313 CD2 LEU A 38 -15.136 -1.986 1.266 1.00 20.58 C
ATOM 314 N CYS A 39 -14.944 -7.349 2.082 1.00 20.33 N
ATOM 315 CA CYS A 39 -15.079 -8.631 1.401 1.00 22.23 C
ATOM 316 C CYS A 39 -15.552 -9.761 2.311 1.00 24.14 C
ATOM 317 O CYS A 39 -15.567 -10.926 1.911 1.00 27.96 O
ATOM 318 CB CYS A 39 -13.768 -9.010 0.704 1.00 17.81 C
ATOM 319 SG CYS A 39 -13.232 -7.726 -0.430 1.00 17.53 S
ATOM 320 N ASP A 40 -15.930 -9.430 3.539 1.00 29.15 N
ATOM 321 CA ASP A 40 -16.485 -10.451 4.413 1.00 30.80 C
ATOM 322 C ASP A 40 -15.532 -11.642 4.531 1.00 31.52 C
ATOM 323 O ASP A 40 -15.814 -12.713 3.999 1.00 30.74 O
ATOM 324 CB ASP A 40 -17.833 -10.915 3.846 1.00 27.77 C
ATOM 325 CG ASP A 40 -18.596 -11.841 4.786 1.00 31.66 C
ATOM 326 OD1 ASP A 40 -18.218 -11.978 5.969 1.00 33.36 O
ATOM 327 OD2 ASP A 40 -19.596 -12.440 4.324 1.00 47.77 O
ATOM 328 N CYS A 41 -14.402 -11.459 5.208 1.00 27.46 N
ATOM 329 CA CYS A 41 -13.537 -12.595 5.506 1.00 32.90 C
ATOM 330 C CYS A 41 -12.947 -12.563 6.920 1.00 32.43 C
ATOM 331 O CYS A 41 -12.915 -11.511 7.564 1.00 30.80 O
ATOM 332 CB CYS A 41 -12.436 -12.741 4.452 1.00 33.28 C
ATOM 333 SG CYS A 41 -11.936 -11.225 3.670 1.00 41.17 S
ATOM 334 N GLU A 42 -12.527 -13.731 7.404 1.00 38.47 N
ATOM 335 CA GLU A 42 -11.806 -13.839 8.662 1.00 34.75 C
ATOM 336 C GLU A 42 -10.357 -13.525 8.374 1.00 34.46 C
ATOM 337 O GLU A 42 -9.775 -14.061 7.428 1.00 37.93 O
ATOM 338 CB GLU A 42 -11.841 -15.262 9.212 1.00 39.43 C
ATOM 339 CG GLU A 42 -13.141 -15.740 9.792 1.00 53.64 C
ATOM 340 CD GLU A 42 -12.977 -17.094 10.446 1.00 52.25 C
ATOM 341 OE1 GLU A 42 -13.805 -17.991 10.189 1.00 73.05 O
ATOM 342 OE2 GLU A 42 -12.008 -17.260 11.213 1.00 43.30 O
ATOM 343 N ILE A 43 -9.759 -12.690 9.205 1.00 22.17 N
ATOM 344 CA ILE A 43 -8.356 -12.368 9.034 1.00 18.47 C
ATOM 345 C ILE A 43 -7.635 -12.397 10.366 1.00 17.91 C
ATOM 346 O ILE A 43 -8.217 -12.094 11.404 1.00 18.98 O
ATOM 347 CB ILE A 43 -8.193 -11.008 8.354 1.00 18.46 C
ATOM 348 CG1 ILE A 43 -8.678 -11.120 6.894 1.00 18.91 C
ATOM 349 CG2 ILE A 43 -6.739 -10.519 8.489 1.00 14.36 C
ATOM 350 CD1 ILE A 43 -8.778 -9.819 6.137 1.00 17.28 C
ATOM 351 N ALA A 44 -6.373 -12.793 10.337 1.00 20.53 N
ATOM 352 CA ALA A 44 -5.537 -12.754 11.527 1.00 22.34 C
ATOM 353 C ALA A 44 -4.184 -12.198 11.134 1.00 21.37 C
ATOM 354 O ALA A 44 -3.621 -12.582 10.117 1.00 24.32 O
ATOM 355 CB ALA A 44 -5.391 -14.152 12.146 1.00 20.01 C
ATOM 356 N LEU A 45 -3.659 -11.303 11.948 1.00 17.10 N
ATOM 357 CA LEU A 45 -2.387 -10.678 11.669 1.00 15.07 C
ATOM 358 C LEU A 45 -1.608 -10.684 12.968 1.00 18.60 C
ATOM 359 O LEU A 45 -2.004 -10.023 13.926 1.00 18.46 O
ATOM 360 CB LEU A 45 -2.628 -9.231 11.213 1.00 17.60 C
ATOM 361 CG LEU A 45 -1.434 -8.291 10.988 1.00 18.87 C
ATOM 362 CD1 LEU A 45 -0.437 -8.896 10.014 1.00 13.51 C
ATOM 363 CD2 LEU A 45 -1.897 -6.913 10.507 1.00 15.15 C
ATOM 364 N ILE A 46 -0.517 -11.439 13.023 1.00 24.39 N
ATOM 365 CA ILE A 46 0.358 -11.425 14.197 1.00 26.70 C
ATOM 366 C ILE A 46 1.683 -10.766 13.853 1.00 27.08 C
ATOM 367 O ILE A 46 2.324 -11.129 12.862 1.00 24.61 O
ATOM 368 CB ILE A 46 0.638 -12.851 14.715 1.00 29.28 C
ATOM 369 CG1 ILE A 46 -0.600 -13.420 15.412 1.00 27.91 C
ATOM 370 CG2 ILE A 46 1.812 -12.841 15.662 1.00 25.53 C
ATOM 371 CD1 ILE A 46 -0.707 -14.927 15.344 1.00 27.37 C
ATOM 372 N ILE A 47 2.102 -9.805 14.668 1.00 23.13 N
ATOM 373 CA ILE A 47 3.337 -9.072 14.407 1.00 23.41 C
ATOM 374 C ILE A 47 4.220 -8.951 15.643 1.00 23.52 C
ATOM 375 O ILE A 47 3.775 -8.456 16.684 1.00 26.70 O
ATOM 376 CB ILE A 47 3.038 -7.626 13.968 1.00 23.97 C
ATOM 377 CG1 ILE A 47 2.106 -7.585 12.757 1.00 22.15 C
ATOM 378 CG2 ILE A 47 4.345 -6.866 13.691 1.00 24.70 C
ATOM 379 CD1 ILE A 47 1.691 -6.184 12.434 1.00 20.19 C
ATOM 380 N PHE A 48 5.476 -9.364 15.522 1.00 21.25 N
ATOM 381 CA PHE A 48 6.457 -9.190 16.590 1.00 20.82 C
ATOM 382 C PHE A 48 7.494 -8.216 16.087 1.00 23.70 C
ATOM 383 O PHE A 48 8.163 -8.508 15.098 1.00 27.58 O
ATOM 384 CB PHE A 48 7.173 -10.515 16.903 1.00 23.60 C
ATOM 385 CG PHE A 48 6.268 -11.601 17.408 1.00 22.06 C
ATOM 386 CD1 PHE A 48 5.738 -12.540 16.538 1.00 21.05 C
ATOM 387 CD2 PHE A 48 5.961 -11.698 18.758 1.00 25.85 C
ATOM 388 CE1 PHE A 48 4.898 -13.546 17.003 1.00 21.86 C
ATOM 389 CE2 PHE A 48 5.134 -12.708 19.226 1.00 27.53 C
ATOM 390 CZ PHE A 48 4.602 -13.635 18.336 1.00 23.18 C
ATOM 391 N ASN A 49 7.665 -7.076 16.749 1.00 24.84 N
ATOM 392 CA ASN A 49 8.666 -6.119 16.283 1.00 24.26 C
ATOM 393 C ASN A 49 10.063 -6.667 16.544 1.00 25.22 C
ATOM 394 O ASN A 49 10.200 -7.793 17.038 1.00 25.26 O
ATOM 395 CB ASN A 49 8.473 -4.739 16.915 1.00 21.89 C
ATOM 396 CG ASN A 49 8.777 -4.723 18.400 1.00 28.15 C
ATOM 397 OD1 ASN A 49 9.289 -5.702 18.968 1.00 27.71 O
ATOM 398 ND2 ASN A 49 8.469 -3.596 19.043 1.00 25.21 N
ATOM 399 N SER A 50 11.091 -5.891 16.205 1.00 27.22 N
ATOM 400 CA SER A 50 12.472 -6.354 16.363 1.00 33.15 C
ATOM 401 C SER A 50 12.864 -6.546 17.822 1.00 37.73 C
ATOM 402 O SER A 50 13.763 -7.320 18.118 1.00 42.72 O
ATOM 403 CB SER A 50 13.466 -5.425 15.655 1.00 33.00 C
ATOM 404 OG SER A 50 13.229 -4.063 15.958 1.00 38.13 O
ATOM 405 N SER A 51 12.185 -5.854 18.732 1.00 41.91 N
ATOM 406 CA SER A 51 12.435 -6.038 20.166 1.00 42.10 C
ATOM 407 C SER A 51 11.572 -7.153 20.747 1.00 45.39 C
ATOM 408 O SER A 51 11.418 -7.240 21.965 1.00 38.68 O
ATOM 409 CB SER A 51 12.164 -4.751 20.948 1.00 36.34 C
ATOM 410 OG SER A 51 12.875 -3.655 20.401 1.00 43.67 O
ATOM 411 N ASN A 52 10.992 -7.978 19.874 1.00 44.13 N
ATOM 412 CA ASN A 52 10.175 -9.126 20.287 1.00 41.46 C
ATOM 413 C ASN A 52 8.834 -8.830 20.976 1.00 41.38 C
ATOM 414 O ASN A 52 8.178 -9.739 21.488 1.00 42.01 O
ATOM 415 CB ASN A 52 10.995 -10.101 21.131 1.00 42.34 C
ATOM 416 CG ASN A 52 11.696 -11.147 20.285 1.00 56.00 C
ATOM 417 OD1 ASN A 52 12.881 -11.021 19.965 1.00 49.79 O
ATOM 418 ND2 ASN A 52 10.961 -12.185 19.910 1.00 55.97 N
ATOM 419 N LYS A 53 8.415 -7.572 20.990 1.00 28.94 N
ATOM 420 CA LYS A 53 7.070 -7.274 21.480 1.00 32.63 C
ATOM 421 C LYS A 53 5.985 -7.688 20.463 1.00 30.38 C
ATOM 422 O LYS A 53 6.129 -7.482 19.258 1.00 25.25 O
ATOM 423 CB LYS A 53 6.913 -5.799 21.868 1.00 29.86 C
ATOM 424 CG LYS A 53 5.517 -5.499 22.452 1.00 37.65 C
ATOM 425 CD LYS A 53 5.372 -4.046 22.917 1.00 33.38 C
ATOM 426 CE LYS A 53 3.967 -3.779 23.446 1.00 36.28 C
ATOM 427 NZ LYS A 53 3.765 -2.359 23.862 1.00 35.32 N
ATOM 428 N LEU A 54 4.902 -8.263 20.972 1.00 30.92 N
ATOM 429 CA LEU A 54 3.822 -8.786 20.149 1.00 26.04 C
ATOM 430 C LEU A 54 2.742 -7.735 19.846 1.00 24.63 C
ATOM 431 O LEU A 54 2.335 -6.986 20.719 1.00 32.63 O
ATOM 432 CB LEU A 54 3.199 -9.986 20.861 1.00 30.08 C
ATOM 433 CG LEU A 54 1.885 -10.568 20.339 1.00 33.26 C
ATOM 434 CD1 LEU A 54 2.043 -11.115 18.919 1.00 23.74 C
ATOM 435 CD2 LEU A 54 1.362 -11.645 21.291 1.00 28.88 C
ATOM 436 N PHE A 55 2.298 -7.673 18.597 1.00 25.03 N
ATOM 437 CA PHE A 55 1.145 -6.858 18.229 1.00 24.54 C
ATOM 438 C PHE A 55 0.228 -7.718 17.380 1.00 22.96 C
ATOM 439 O PHE A 55 0.696 -8.558 16.626 1.00 29.34 O
ATOM 440 CB PHE A 55 1.573 -5.625 17.440 1.00 24.83 C
ATOM 441 CG PHE A 55 2.464 -4.692 18.207 1.00 20.21 C
ATOM 442 CD1 PHE A 55 3.838 -4.833 18.155 1.00 22.87 C
ATOM 443 CD2 PHE A 55 1.924 -3.671 18.965 1.00 23.44 C
ATOM 444 CE1 PHE A 55 4.667 -3.982 18.855 1.00 27.94 C
ATOM 445 CE2 PHE A 55 2.740 -2.797 19.677 1.00 26.97 C
ATOM 446 CZ PHE A 55 4.118 -2.950 19.620 1.00 30.85 C
ATOM 447 N GLN A 56 -1.077 -7.526 17.492 1.00 25.61 N
ATOM 448 CA GLN A 56 -1.979 -8.421 16.804 1.00 26.33 C
ATOM 449 C GLN A 56 -3.292 -7.781 16.400 1.00 28.33 C
ATOM 450 O GLN A 56 -3.748 -6.819 17.010 1.00 30.70 O
ATOM 451 CB GLN A 56 -2.242 -9.655 17.670 1.00 33.07 C
ATOM 452 CG GLN A 56 -2.763 -9.347 19.063 1.00 30.07 C
ATOM 453 CD GLN A 56 -2.912 -10.604 19.930 1.00 41.82 C
ATOM 454 OE1 GLN A 56 -3.614 -11.559 19.564 1.00 36.96 O
ATOM 455 NE2 GLN A 56 -2.246 -10.603 21.085 1.00 39.39 N
ATOM 456 N TYR A 57 -3.889 -8.335 15.351 1.00 23.56 N
ATOM 457 CA TYR A 57 -5.215 -7.956 14.913 1.00 23.30 C
ATOM 458 C TYR A 57 -5.921 -9.215 14.446 1.00 24.71 C
ATOM 459 O TYR A 57 -5.303 -10.077 13.812 1.00 28.41 O
ATOM 460 CB TYR A 57 -5.188 -6.951 13.746 1.00 27.74 C
ATOM 461 CG TYR A 57 -6.525 -6.931 13.010 1.00 25.38 C
ATOM 462 CD1 TYR A 57 -7.609 -6.234 13.522 1.00 24.35 C
ATOM 463 CD2 TYR A 57 -6.717 -7.667 11.850 1.00 21.49 C
ATOM 464 CE1 TYR A 57 -8.840 -6.244 12.885 1.00 22.98 C
ATOM 465 CE2 TYR A 57 -7.941 -7.682 11.199 1.00 21.00 C
ATOM 466 CZ TYR A 57 -9.003 -6.974 11.719 1.00 24.89 C
ATOM 467 OH TYR A 57 -10.228 -6.979 11.077 1.00 25.11 O
ATOM 468 N ALA A 58 -7.218 -9.306 14.730 1.00 15.23 N
ATOM 469 CA ALA A 58 -8.024 -10.397 14.213 1.00 20.38 C
ATOM 470 C ALA A 58 -9.467 -9.937 14.035 1.00 19.03 C
ATOM 471 O ALA A 58 -9.972 -9.183 14.847 1.00 20.09 O
ATOM 472 CB ALA A 58 -7.948 -11.588 15.135 1.00 21.07 C
ATOM 473 N SER A 59 -10.122 -10.385 12.967 1.00 19.88 N
ATOM 474 CA SER A 59 -11.501 -9.986 12.707 1.00 23.72 C
ATOM 475 C SER A 59 -12.472 -10.703 13.636 1.00 25.79 C
ATOM 476 O SER A 59 -13.658 -10.406 13.622 1.00 26.74 O
ATOM 477 CB SER A 59 -11.890 -10.208 11.238 1.00 21.22 C
ATOM 478 OG SER A 59 -11.797 -11.576 10.870 1.00 20.24 O
ATOM 479 N THR A 60 -11.965 -11.663 14.413 1.00 38.91 N
ATOM 480 CA THR A 60 -12.696 -12.266 15.530 1.00 39.40 C
ATOM 481 C THR A 60 -11.660 -12.709 16.539 1.00 42.01 C
ATOM 482 O THR A 60 -10.483 -12.394 16.388 1.00 42.14 O
ATOM 483 CB THR A 60 -13.479 -13.523 15.133 1.00 48.63 C
ATOM 484 OG1 THR A 60 -12.567 -14.618 14.965 1.00 53.01 O
ATOM 485 CG2 THR A 60 -14.267 -13.304 13.848 1.00 56.14 C
ATOM 486 N ASP A 61 -12.082 -13.454 17.555 1.00 29.75 N
ATOM 487 CA ASP A 61 -11.124 -14.022 18.506 1.00 33.91 C
ATOM 488 C ASP A 61 -9.997 -14.744 17.761 1.00 34.40 C
ATOM 489 O ASP A 61 -10.248 -15.646 16.940 1.00 31.48 O
ATOM 490 CB ASP A 61 -11.810 -14.987 19.492 1.00 36.02 C
ATOM 491 CG ASP A 61 -12.702 -14.270 20.501 1.00 39.10 C
ATOM 492 OD1 ASP A 61 -13.213 -13.183 20.179 1.00 40.65 O
ATOM 493 OD2 ASP A 61 -12.891 -14.791 21.622 1.00 46.10 O
ATOM 494 N MET A 62 -8.762 -14.331 18.042 1.00 47.16 N
ATOM 495 CA MET A 62 -7.574 -14.981 17.500 1.00 40.72 C
ATOM 496 C MET A 62 -7.669 -16.494 17.571 1.00 43.94 C
ATOM 497 O MET A 62 -7.435 -17.184 16.580 1.00 47.09 O
ATOM 498 CB MET A 62 -6.330 -14.547 18.265 1.00 33.07 C
ATOM 499 CG MET A 62 -5.398 -13.664 17.467 1.00 42.58 C
ATOM 500 SD MET A 62 -4.979 -14.360 15.860 1.00 34.90 S
ATOM 501 CE MET A 62 -4.105 -12.959 15.171 1.00 31.96 C
ATOM 502 N ASP A 63 -8.012 -17.003 18.749 1.00 53.69 N
ATOM 503 CA ASP A 63 -8.035 -18.440 18.993 1.00 54.28 C
ATOM 504 C ASP A 63 -8.884 -19.169 17.959 1.00 48.50 C
ATOM 505 O ASP A 63 -8.642 -20.336 17.660 1.00 55.69 O
ATOM 506 CB ASP A 63 -8.527 -18.746 20.420 1.00 59.79 C
ATOM 507 CG ASP A 63 -10.044 -18.872 20.508 1.00 70.97 C
ATOM 508 OD1 ASP A 63 -10.558 -20.007 20.352 1.00 63.98 O
ATOM 509 OD2 ASP A 63 -10.719 -17.842 20.739 1.00 71.28 O
ATOM 510 N LYS A 64 -9.873 -18.483 17.405 1.00 35.12 N
ATOM 511 CA LYS A 64 -10.752 -19.122 16.429 1.00 37.09 C
ATOM 512 C LYS A 64 -10.117 -19.184 15.036 1.00 39.46 C
ATOM 513 O LYS A 64 -10.117 -20.244 14.398 1.00 28.27 O
ATOM 514 CB LYS A 64 -12.120 -18.434 16.385 1.00 35.64 C
ATOM 515 CG LYS A 64 -12.870 -18.500 17.708 1.00 43.05 C
ATOM 516 CD LYS A 64 -14.172 -17.717 17.655 1.00 44.22 C
ATOM 517 CE LYS A 64 -14.904 -17.761 18.988 1.00 45.27 C
ATOM 518 NZ LYS A 64 -16.028 -16.779 19.009 1.00 52.49 N
ATOM 519 N VAL A 65 -9.570 -18.055 14.574 1.00 36.88 N
ATOM 520 CA VAL A 65 -8.938 -18.003 13.259 1.00 34.38 C
ATOM 521 C VAL A 65 -7.853 -19.071 13.201 1.00 34.50 C
ATOM 522 O VAL A 65 -7.736 -19.808 12.212 1.00 32.32 O
ATOM 523 CB VAL A 65 -8.289 -16.626 12.957 1.00 32.82 C
ATOM 524 CG1 VAL A 65 -7.875 -16.550 11.502 1.00 24.88 C
ATOM 525 CG2 VAL A 65 -9.228 -15.492 13.283 1.00 30.63 C
ATOM 526 N LEU A 66 -7.080 -19.162 14.280 1.00 32.94 N
ATOM 527 CA LEU A 66 -5.979 -20.109 14.362 1.00 33.83 C
ATOM 528 C LEU A 66 -6.429 -21.572 14.258 1.00 42.46 C
ATOM 529 O LEU A 66 -5.873 -22.347 13.465 1.00 39.69 O
ATOM 530 CB LEU A 66 -5.166 -19.877 15.636 1.00 37.01 C
ATOM 531 CG LEU A 66 -4.380 -18.565 15.669 1.00 40.50 C
ATOM 532 CD1 LEU A 66 -3.534 -18.484 16.916 1.00 39.45 C
ATOM 533 CD2 LEU A 66 -3.505 -18.440 14.434 1.00 33.94 C
ATOM 534 N LEU A 67 -7.440 -21.948 15.039 1.00 45.85 N
ATOM 535 CA LEU A 67 -7.903 -23.330 15.034 1.00 46.79 C
ATOM 536 C LEU A 67 -8.510 -23.696 13.695 1.00 45.79 C
ATOM 537 O LEU A 67 -8.453 -24.845 13.272 1.00 47.51 O
ATOM 538 CB LEU A 67 -8.901 -23.595 16.165 1.00 51.22 C
ATOM 539 CG LEU A 67 -8.248 -24.026 17.487 1.00 59.67 C
ATOM 540 CD1 LEU A 67 -9.298 -24.509 18.469 1.00 63.71 C
ATOM 541 CD2 LEU A 67 -7.185 -25.110 17.263 1.00 53.62 C
ATOM 542 N LYS A 68 -9.091 -22.706 13.032 1.00 29.42 N
ATOM 543 CA LYS A 68 -9.658 -22.919 11.718 1.00 30.94 C
ATOM 544 C LYS A 68 -8.517 -23.179 10.741 1.00 34.58 C
ATOM 545 O LYS A 68 -8.656 -23.948 9.784 1.00 34.36 O
ATOM 546 CB LYS A 68 -10.484 -21.703 11.294 1.00 33.59 C
ATOM 547 CG LYS A 68 -11.306 -21.929 10.042 1.00 36.36 C
ATOM 548 CD LYS A 68 -12.233 -20.762 9.761 1.00 34.17 C
ATOM 549 CE LYS A 68 -13.268 -21.129 8.713 1.00 31.80 C
ATOM 550 NZ LYS A 68 -13.904 -19.917 8.134 1.00 36.13 N
ATOM 551 N TYR A 69 -7.380 -22.541 11.000 1.00 39.67 N