Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 13-APR-12 4ENK TITLE CRYSTAL STRUCTURE OF S. POMBE ATL1 IN COMPLEX WITH DAMAGED DNA TITLE 2 CONTAINING O6-PROPYLGUANINE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALKYLTRANSFERASE-LIKE PROTEIN 1; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*GP*CP*CP*AP*TP*GP*(6PO)P*CP*TP*AP*GP*TP*A)-3'); COMPND 7 CHAIN: B; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'); COMPND 11 CHAIN: C; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; SOURCE 3 ORGANISM_COMMON: FISSION YEAST; SOURCE 4 ORGANISM_TAXID: 284812; SOURCE 5 STRAIN: 972 / ATCC 24843; SOURCE 6 GENE: ATL1, SPAC1250.04C; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 MOL_ID: 2; SOURCE 10 SYNTHETIC: YES; SOURCE 11 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 12 ORGANISM_TAXID: 32630; SOURCE 13 MOL_ID: 3; SOURCE 14 SYNTHETIC: YES; SOURCE 15 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 16 ORGANISM_TAXID: 32630 KEYWDS ALKYLTRANSFERASE, DNA REPAIR, NUCLEOTIDE EXCISION REPAIR, NER, BASE KEYWDS 2 REPAIR, DNA, DNA DAMAGE, GUANINE, ALKYLATION, DNA BINDING PROTEIN- KEYWDS 3 DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR J.L.TUBBS,A.S.ARVAI,J.A.TAINER REVDAT 2 01-AUG-12 4ENK 1 JRNL REVDAT 1 20-JUN-12 4ENK 0 JRNL AUTH V.F.LATYPOV,J.L.TUBBS,A.J.WATSON,A.S.MARRIOTT,G.MCGOWN, JRNL AUTH 2 M.THORNCROFT,O.J.WILKINSON,P.SENTHONG,A.BUTT,A.S.ARVAI, JRNL AUTH 3 C.L.MILLINGTON,A.C.POVEY,D.M.WILLIAMS,M.F.SANTIBANEZ-KOREF, JRNL AUTH 4 J.A.TAINER,G.P.MARGISON JRNL TITL ATL1 REGULATES CHOICE BETWEEN GLOBAL GENOME AND JRNL TITL 2 TRANSCRIPTION-COUPLED REPAIR OF O(6)-ALKYLGUANINES. JRNL REF MOL.CELL V. 47 50 2012 JRNL REFN ISSN 1097-2765 JRNL PMID 22658721 JRNL DOI 10.1016/J.MOLCEL.2012.04.028 REMARK 2 REMARK 2 RESOLUTION. 3.04 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) : 3.04 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.88 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 0.170 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.2 REMARK 3 NUMBER OF REFLECTIONS : 4797 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.254 REMARK 3 R VALUE (WORKING SET) : 0.250 REMARK 3 FREE R VALUE : 0.295 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.090 REMARK 3 FREE R VALUE TEST SET COUNT : 484 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 34.8812 - 4.3890 0.99 1683 186 0.2325 0.2623 REMARK 3 2 4.3890 - 3.4847 0.95 1467 167 0.2605 0.3347 REMARK 3 3 3.4847 - 3.0445 0.76 1163 131 0.3183 0.4325 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 : 0.24 REMARK 3 B_SOL : 66.54 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.280 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 38.200 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 24.92460 REMARK 3 B22 (A**2) : 24.92460 REMARK 3 B33 (A**2) : -49.84920 REMARK 3 B12 (A**2) : -0.00000 REMARK 3 B13 (A**2) : -0.00000 REMARK 3 B23 (A**2) : -0.00000 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 : 0.010 1516 REMARK 3 ANGLE : 1.651 2158 REMARK 3 CHIRALITY : 0.088 227 REMARK 3 PLANARITY : 0.008 188 REMARK 3 DIHEDRAL : 27.221 619 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 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4ENK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-APR-12. REMARK 100 THE RCSB ID CODE IS RCSB071841. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-FEB-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.8 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 12.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.1158 REMARK 200 MONOCHROMATOR : ML CRYSTALS REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5247 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.045 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.6 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.04 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 3.16 REMARK 200 COMPLETENESS FOR SHELL (%) : 82.3 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL 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 3GVA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 57.99 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.93 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% MPEG 2000, 5% SODIUM FORMATE, 0.2M REMARK 280 IMIDAZOLE-MALATE, PH 5.8, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 288K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 REMARK 290 7555 Y,X,-Z+1/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+2/3 REMARK 290 10555 -Y,-X,-Z+5/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+1/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 78.97233 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 157.94467 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 118.45850 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 197.43083 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 39.48617 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 78.97233 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 157.94467 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 197.43083 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 118.45850 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 39.48617 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3240 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9710 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -10.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C 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 GLY A 109 REMARK 465 SER A 110 REMARK 465 HIS A 111 REMARK 465 HIS A 112 REMARK 465 HIS A 113 REMARK 465 HIS A 114 REMARK 465 HIS A 115 REMARK 465 HIS A 116 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ASP A 70 N SER A 72 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PRO A 50 C - N - CA ANGL. DEV. = 10.0 DEGREES REMARK 500 PRO A 55 C - N - CA ANGL. DEV. = 9.4 DEGREES REMARK 500 DC B 2 O4' - C1' - C2' ANGL. DEV. = 4.3 DEGREES REMARK 500 DC B 2 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DC B 2 C6 - N1 - C2 ANGL. DEV. = 2.5 DEGREES REMARK 500 DT B 5 C1' - O4' - C4' ANGL. DEV. = -7.0 DEGREES REMARK 500 DT B 5 C3' - C2' - C1' ANGL. DEV. = -5.5 DEGREES REMARK 500 DT B 5 O4' - C1' - N1 ANGL. DEV. = 2.6 DEGREES REMARK 500 DA B 10 O4' - C1' - N9 ANGL. DEV. = 7.5 DEGREES REMARK 500 DG B 11 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 DT B 12 C3' - C2' - C1' ANGL. DEV. = -5.0 DEGREES REMARK 500 DT B 12 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC C 17 C1' - O4' - C4' ANGL. DEV. = -7.9 DEGREES REMARK 500 DT C 18 N3 - C4 - O4 ANGL. DEV. = 5.4 DEGREES REMARK 500 DT C 18 C5 - C4 - O4 ANGL. DEV. = -5.6 DEGREES REMARK 500 DA C 19 C1' - O4' - C4' ANGL. DEV. = -6.3 DEGREES REMARK 500 DA C 19 C3' - C2' - C1' ANGL. DEV. = -13.3 DEGREES REMARK 500 DA C 19 O4' - C1' - C2' ANGL. DEV. = -5.4 DEGREES REMARK 500 DA C 19 O4' - C1' - N9 ANGL. DEV. = 2.0 DEGREES REMARK 500 DG C 20 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DC C 21 O4' - C4' - C3' ANGL. DEV. = -3.1 DEGREES REMARK 500 DC C 21 O4' - C1' - N1 ANGL. DEV. = 1.9 DEGREES REMARK 500 DC C 22 C4' - C3' - C2' ANGL. DEV. = -4.7 DEGREES REMARK 500 DC C 22 C3' - C2' - C1' ANGL. DEV. = -8.3 DEGREES REMARK 500 DC C 22 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DA C 23 O4' - C1' - N9 ANGL. DEV. = -5.3 DEGREES REMARK 500 DT C 24 O4' - C1' - N1 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT C 24 C5 - C4 - O4 ANGL. DEV. = -4.2 DEGREES REMARK 500 DG C 25 C3' - C2' - C1' ANGL. DEV. = -5.7 DEGREES REMARK 500 DG C 25 O4' - C1' - N9 ANGL. DEV. = 4.5 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 MET A 3 -89.88 -47.14 REMARK 500 ASP A 4 -44.71 -11.90 REMARK 500 PRO A 35 -38.67 -35.26 REMARK 500 SER A 36 30.51 -78.76 REMARK 500 HIS A 53 43.27 -103.04 REMARK 500 PRO A 55 40.88 -74.04 REMARK 500 ARG A 58 33.85 -90.19 REMARK 500 ARG A 69 -30.01 86.80 REMARK 500 ASP A 70 -92.74 46.09 REMARK 500 ILE A 71 14.69 -48.69 REMARK 500 ALA A 73 -51.78 -20.26 REMARK 500 LYS A 79 -76.47 -53.32 REMARK 500 GLU A 84 34.32 -71.86 REMARK 500 GLU A 85 -9.51 -150.89 REMARK 500 TYR A 90 -156.02 -128.82 REMARK 500 GLN A 91 -155.66 -153.14 REMARK 500 GLU A 96 -160.94 -73.67 REMARK 500 ASN A 100 87.48 -58.85 REMARK 500 LEU A 101 -72.37 -54.51 REMARK 500 PRO A 102 -9.09 -55.72 REMARK 500 GLU A 103 -81.73 -72.75 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4ENJ RELATED DB: PDB REMARK 900 RELATED ID: 4ENM RELATED DB: PDB REMARK 900 RELATED ID: 4ENN RELATED DB: PDB DBREF 4ENK A 1 108 UNP Q9UTN9 ATL1_SCHPO 1 108 DBREF 4ENK B 1 13 PDB 4ENK 4ENK 1 13 DBREF 4ENK C 14 26 PDB 4ENK 4ENK 1 13 SEQADV 4ENK GLY A 109 UNP Q9UTN9 EXPRESSION TAG SEQADV 4ENK SER A 110 UNP Q9UTN9 EXPRESSION TAG SEQADV 4ENK HIS A 111 UNP Q9UTN9 EXPRESSION TAG SEQADV 4ENK HIS A 112 UNP Q9UTN9 EXPRESSION TAG SEQADV 4ENK HIS A 113 UNP Q9UTN9 EXPRESSION TAG SEQADV 4ENK HIS A 114 UNP Q9UTN9 EXPRESSION TAG SEQADV 4ENK HIS A 115 UNP Q9UTN9 EXPRESSION TAG SEQADV 4ENK HIS A 116 UNP Q9UTN9 EXPRESSION TAG SEQRES 1 A 116 MET ARG MET ASP GLU PHE TYR THR LYS VAL TYR ASP ALA SEQRES 2 A 116 VAL CYS GLU ILE PRO TYR GLY LYS VAL SER THR TYR GLY SEQRES 3 A 116 GLU ILE ALA ARG TYR VAL GLY MET PRO SER TYR ALA ARG SEQRES 4 A 116 GLN VAL GLY GLN ALA MET LYS HIS LEU HIS PRO GLU THR SEQRES 5 A 116 HIS VAL PRO TRP HIS ARG VAL ILE ASN SER ARG GLY THR SEQRES 6 A 116 ILE SER LYS ARG ASP ILE SER ALA GLY GLU GLN ARG GLN SEQRES 7 A 116 LYS ASP ARG LEU GLU GLU GLU GLY VAL GLU ILE TYR GLN SEQRES 8 A 116 THR SER LEU GLY GLU TYR LYS LEU ASN LEU PRO GLU TYR SEQRES 9 A 116 MET TRP LYS PRO GLY SER HIS HIS HIS HIS HIS HIS SEQRES 1 B 13 DG DC DC DA DT DG 6PO DC DT DA DG DT DA SEQRES 1 C 13 DC DT DA DC DT DA DG DC DC DA DT DG DG MODRES 4ENK 6PO B 7 DG HET 6PO B 7 25 HETNAM 6PO 9-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO- HETNAM 2 6PO PENTOFURANOSYL)-6-PROPOXY-9H-PURIN-2-AMINE FORMUL 2 6PO C13 H20 N5 O7 P FORMUL 4 HOH *(H2 O) HELIX 1 1 ARG A 2 ILE A 17 1 16 HELIX 2 2 TYR A 25 VAL A 32 1 8 HELIX 3 3 ALA A 38 HIS A 47 1 10 HELIX 4 4 GLU A 75 GLU A 84 1 10 HELIX 5 5 ASN A 100 MET A 105 1 6 SHEET 1 A 2 SER A 23 THR A 24 0 SHEET 2 A 2 VAL A 59 ILE A 60 1 O ILE A 60 N SER A 23 LINK O3' DG B 6 P 6PO B 7 1555 1555 1.60 CRYST1 59.501 59.501 236.917 90.00 90.00 120.00 P 61 2 2 12 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 0.016806 0.009703 0.000000 0.00000 SCALE2 0.000000 0.019406 0.000000 0.00000 SCALE3 0.000000 0.000000 0.004221 0.00000 ATOM 1 N MET A 1 40.325 -24.499 22.490 1.00143.78 N ATOM 2 CA MET A 1 39.493 -23.414 21.962 1.00151.49 C ATOM 3 C MET A 1 37.993 -23.745 22.016 1.00150.21 C ATOM 4 O MET A 1 37.476 -24.501 21.177 1.00149.34 O ATOM 5 CB MET A 1 39.909 -23.037 20.533 1.00150.32 C ATOM 6 CG MET A 1 39.097 -21.898 19.932 1.00145.85 C ATOM 7 SD MET A 1 39.115 -21.965 18.129 1.00151.25 S ATOM 8 CE MET A 1 40.800 -21.433 17.817 1.00157.06 C ATOM 9 N ARG A 2 37.311 -23.170 23.011 1.00134.34 N ATOM 10 CA ARG A 2 35.908 -23.476 23.280 1.00130.34 C ATOM 11 C ARG A 2 35.059 -23.013 22.111 1.00123.66 C ATOM 12 O ARG A 2 35.457 -22.111 21.372 1.00118.90 O ATOM 13 CB ARG A 2 35.430 -22.834 24.598 1.00133.22 C ATOM 14 CG ARG A 2 35.436 -21.302 24.589 1.00130.79 C ATOM 15 CD ARG A 2 34.886 -20.711 25.860 1.00125.99 C ATOM 16 NE ARG A 2 35.880 -19.839 26.478 1.00130.10 N ATOM 17 CZ ARG A 2 36.198 -18.620 26.047 1.00130.84 C ATOM 18 NH1 ARG A 2 35.600 -18.105 24.980 1.00123.83 N ATOM 19 NH2 ARG A 2 37.122 -17.912 26.691 1.00132.93 N ATOM 20 N MET A 3 33.896 -23.631 21.934 1.00120.07 N ATOM 21 CA MET A 3 33.114 -23.368 20.731 1.00122.55 C ATOM 22 C MET A 3 32.967 -21.872 20.396 1.00120.48 C ATOM 23 O MET A 3 33.795 -21.341 19.666 1.00120.79 O ATOM 24 CB MET A 3 31.787 -24.133 20.722 1.00124.40 C ATOM 25 CG MET A 3 31.625 -25.021 19.452 1.00127.17 C ATOM 26 SD MET A 3 33.152 -25.187 18.455 1.00127.22 S ATOM 27 CE MET A 3 32.662 -26.309 17.169 1.00117.15 C ATOM 28 N ASP A 4 31.929 -21.214 20.909 1.00122.78 N ATOM 29 CA ASP A 4 31.725 -19.765 20.733 1.00121.33 C ATOM 30 C ASP A 4 32.916 -18.989 20.164 1.00119.60 C ATOM 31 O ASP A 4 32.720 -18.120 19.322 1.00120.91 O ATOM 32 CB ASP A 4 31.308 -19.113 22.055 1.00125.31 C ATOM 33 CG ASP A 4 32.320 -19.367 23.175 1.00122.48 C ATOM 34 OD1 ASP A 4 33.242 -18.542 23.358 1.00121.98 O ATOM 35 OD2 ASP A 4 32.198 -20.408 23.854 1.00118.71 O ATOM 36 N GLU A 5 34.123 -19.255 20.667 1.00129.62 N ATOM 37 CA GLU A 5 35.352 -18.667 20.130 1.00132.42 C ATOM 38 C GLU A 5 35.436 -18.917 18.645 1.00126.26 C ATOM 39 O GLU A 5 35.409 -18.006 17.823 1.00122.02 O ATOM 40 CB GLU A 5 36.569 -19.343 20.747 1.00134.13 C ATOM 41 CG GLU A 5 36.709 -19.151 22.209 1.00134.29 C ATOM 42 CD GLU A 5 38.117 -19.387 22.667 1.00140.29 C ATOM 43 OE1 GLU A 5 38.925 -18.437 22.592 1.00142.58 O ATOM 44 OE2 GLU A 5 38.416 -20.522 23.091 1.00144.80 O ATOM 45 N PHE A 6 35.583 -20.192 18.336 1.00113.53 N ATOM 46 CA PHE A 6 35.586 -20.668 16.985 1.00118.04 C ATOM 47 C PHE A 6 34.457 -20.009 16.206 1.00118.70 C ATOM 48 O PHE A 6 34.666 -19.457 15.114 1.00113.99 O ATOM 49 CB PHE A 6 35.393 -22.170 17.006 1.00117.56 C ATOM 50 CG PHE A 6 35.103 -22.753 15.668 1.00116.43 C ATOM 51 CD1 PHE A 6 36.107 -22.879 14.733 1.00114.70 C ATOM 52 CD2 PHE A 6 33.828 -23.196 15.343 1.00118.65 C ATOM 53 CE1 PHE A 6 35.849 -23.432 13.494 1.00121.42 C ATOM 54 CE2 PHE A 6 33.559 -23.754 14.093 1.00113.07 C ATOM 55 CZ PHE A 6 34.571 -23.873 13.172 1.00118.39 C ATOM 56 N TYR A 7 33.258 -20.044 16.771 1.00124.19 N ATOM 57 CA TYR A 7 32.124 -19.486 16.062 1.00120.15 C ATOM 58 C TYR A 7 32.451 -18.057 15.638 1.00118.45 C ATOM 59 O TYR A 7 32.329 -17.727 14.473 1.00117.83 O ATOM 60 CB TYR A 7 30.821 -19.634 16.874 1.00122.53 C ATOM 61 CG TYR A 7 30.123 -20.976 16.650 1.00124.21 C ATOM 62 CD1 TYR A 7 30.615 -22.147 17.227 1.00127.50 C ATOM 63 CD2 TYR A 7 28.985 -21.080 15.842 1.00122.34 C ATOM 64 CE1 TYR A 7 29.986 -23.395 17.010 1.00126.38 C ATOM 65 CE2 TYR A 7 28.352 -22.321 15.626 1.00119.10 C ATOM 66 CZ TYR A 7 28.857 -23.468 16.206 1.00121.67 C ATOM 67 OH TYR A 7 28.223 -24.678 15.989 1.00120.09 O ATOM 68 N THR A 8 32.926 -17.231 16.565 1.00119.98 N ATOM 69 CA THR A 8 33.361 -15.875 16.215 1.00122.22 C ATOM 70 C THR A 8 34.436 -15.867 15.108 1.00123.50 C ATOM 71 O THR A 8 34.274 -15.229 14.066 1.00120.54 O ATOM 72 CB THR A 8 33.876 -15.097 17.459 1.00117.06 C ATOM 73 OG1 THR A 8 32.772 -14.764 18.314 1.00116.86 O ATOM 74 CG2 THR A 8 34.592 -13.816 17.036 1.00121.39 C ATOM 75 N LYS A 9 35.529 -16.582 15.351 1.00138.88 N ATOM 76 CA LYS A 9 36.677 -16.591 14.450 1.00135.82 C ATOM 77 C LYS A 9 36.238 -16.757 13.005 1.00136.02 C ATOM 78 O LYS A 9 36.675 -16.027 12.116 1.00136.64 O ATOM 79 CB LYS A 9 37.645 -17.707 14.855 1.00137.06 C ATOM 80 CG LYS A 9 38.300 -17.465 16.213 1.00140.76 C ATOM 81 CD LYS A 9 39.380 -18.496 16.523 1.00143.52 C ATOM 82 CE LYS A 9 40.266 -18.823 15.308 1.00147.54 C ATOM 83 NZ LYS A 9 41.150 -17.717 14.810 1.00143.60 N ATOM 84 N VAL A 10 35.360 -17.727 12.780 1.00110.85 N ATOM 85 CA VAL A 10 34.822 -17.977 11.445 1.00109.38 C ATOM 86 C VAL A 10 34.124 -16.739 10.888 1.00113.77 C ATOM 87 O VAL A 10 34.396 -16.303 9.764 1.00112.27 O ATOM 88 CB VAL A 10 33.769 -19.094 11.469 1.00103.34 C ATOM 89 CG1 VAL A 10 33.136 -19.255 10.108 1.00101.64 C ATOM 90 CG2 VAL A 10 34.357 -20.404 11.969 1.00 99.64 C ATOM 91 N TYR A 11 33.193 -16.199 11.672 1.00135.22 N ATOM 92 CA TYR A 11 32.429 -15.025 11.260 1.00135.81 C ATOM 93 C TYR A 11 33.348 -13.866 10.862 1.00139.58 C ATOM 94 O TYR A 11 33.199 -13.322 9.760 1.00141.53 O ATOM 95 CB TYR A 11 31.435 -14.579 12.346 1.00133.54 C ATOM 96 CG TYR A 11 30.325 -15.574 12.652 1.00131.73 C ATOM 97 CD1 TYR A 11 30.337 -16.313 13.834 1.00135.56 C ATOM 98 CD2 TYR A 11 29.255 -15.769 11.774 1.00126.09 C ATOM 99 CE1 TYR A 11 29.325 -17.234 14.121 1.00134.79 C ATOM 100 CE2 TYR A 11 28.243 -16.690 12.064 1.00123.51 C ATOM 101 CZ TYR A 11 28.276 -17.412 13.234 1.00129.62 C ATOM 102 OH TYR A 11 27.271 -18.319 13.515 1.00131.73 O ATOM 103 N ASP A 12 34.275 -13.490 11.752 1.00141.51 N ATOM 104 CA ASP A 12 35.267 -12.462 11.461 1.00140.31 C ATOM 105 C ASP A 12 35.751 -12.705 10.043 1.00148.62 C ATOM 106 O ASP A 12 35.807 -11.789 9.226 1.00150.47 O ATOM 107 CB ASP A 12 36.448 -12.550 12.435 1.00143.81 C ATOM 108 CG ASP A 12 36.124 -12.017 13.837 1.00144.03 C ATOM 109 OD1 ASP A 12 35.325 -11.067 13.991 1.00139.26 O ATOM 110 OD2 ASP A 12 36.712 -12.564 14.788 1.00136.32 O ATOM 111 N ALA A 13 36.044 -13.969 9.749 1.00133.16 N ATOM 112 CA ALA A 13 36.567 -14.363 8.454 1.00125.42 C ATOM 113 C ALA A 13 35.615 -14.132 7.281 1.00125.19 C ATOM 114 O ALA A 13 36.001 -13.519 6.300 1.00135.56 O ATOM 115 CB ALA A 13 37.070 -15.799 8.499 1.00119.98 C ATOM 116 N VAL A 14 34.374 -14.598 7.355 1.00117.69 N ATOM 117 CA VAL A 14 33.486 -14.456 6.188 1.00119.96 C ATOM 118 C VAL A 14 33.128 -13.001 5.922 1.00121.52 C ATOM 119 O VAL A 14 32.527 -12.697 4.894 1.00120.57 O ATOM 120 CB VAL A 14 32.202 -15.311 6.264 1.00113.53 C ATOM 121 CG1 VAL A 14 31.291 -15.022 5.091 1.00112.96 C ATOM 122 CG2 VAL A 14 32.560 -16.766 6.288 1.00110.18 C ATOM 123 N CYS A 15 33.475 -12.109 6.853 1.00138.36 N ATOM 124 CA CYS A 15 33.369 -10.677 6.586 1.00140.25 C ATOM 125 C CYS A 15 34.593 -10.262 5.780 1.00143.69 C ATOM 126 O CYS A 15 34.544 -9.313 4.992 1.00142.10 O ATOM 127 CB CYS A 15 33.213 -9.848 7.871 1.00139.57 C ATOM 128 SG CYS A 15 31.555 -9.930 8.631 1.00127.47 S ATOM 129 N GLU A 16 35.678 -11.019 5.946 1.00158.10 N ATOM 130 CA GLU A 16 36.906 -10.799 5.163 1.00157.43 C ATOM 131 C GLU A 16 36.734 -10.970 3.647 1.00152.38 C ATOM 132 O GLU A 16 37.299 -10.186 2.879 1.00155.40 O ATOM 133 CB GLU A 16 38.073 -11.688 5.634 1.00157.86 C ATOM 134 CG GLU A 16 38.635 -11.361 7.026 1.00147.92 C ATOM 135 CD GLU A 16 40.011 -11.990 7.270 1.00147.39 C ATOM 136 OE1 GLU A 16 40.860 -11.997 6.348 1.00143.96 O ATOM 137 OE2 GLU A 16 40.250 -12.489 8.391 1.00153.63 O ATOM 138 N ILE A 17 35.971 -11.980 3.218 1.00149.92 N ATOM 139 CA ILE A 17 35.756 -12.211 1.778 1.00155.41 C ATOM 140 C ILE A 17 35.200 -10.975 1.078 1.00153.75 C ATOM 141 O ILE A 17 34.351 -10.264 1.619 1.00155.09 O ATOM 142 CB ILE A 17 34.777 -13.364 1.492 1.00150.71 C ATOM 143 CG1 ILE A 17 35.071 -14.577 2.374 1.00148.44 C ATOM 144 CG2 ILE A 17 34.765 -13.715 -0.005 1.00148.06 C ATOM 145 CD1 ILE A 17 34.088 -15.714 2.132 1.00142.14 C ATOM 146 N PRO A 18 35.709 -10.708 -0.122 1.00149.99 N ATOM 147 CA PRO A 18 35.294 -9.611 -0.999 1.00152.45 C ATOM 148 C PRO A 18 34.087 -9.961 -1.852 1.00150.98 C ATOM 149 O PRO A 18 33.827 -11.128 -2.151 1.00149.42 O ATOM 150 CB PRO A 18 36.498 -9.431 -1.940 1.00153.22 C ATOM 151 CG PRO A 18 37.628 -10.128 -1.270 1.00157.26 C ATOM 152 CD PRO A 18 36.990 -11.282 -0.548 1.00153.48 C ATOM 153 N TYR A 19 33.373 -8.923 -2.268 1.00162.22 N ATOM 154 CA TYR A 19 32.232 -9.075 -3.153 1.00164.58 C ATOM 155 C TYR A 19 32.631 -9.905 -4.374 1.00167.68 C ATOM 156 O TYR A 19 33.756 -9.776 -4.882 1.00167.69 O ATOM 157 CB TYR A 19 31.741 -7.696 -3.598 1.00166.76 C ATOM 158 CG TYR A 19 30.495 -7.717 -4.464 1.00168.95 C ATOM 159 CD1 TYR A 19 30.589 -7.862 -5.852 1.00169.79 C ATOM 160 CD2 TYR A 19 29.226 -7.589 -3.889 1.00168.78 C ATOM 161 CE1 TYR A 19 29.454 -7.889 -6.654 1.00168.60 C ATOM 162 CE2 TYR A 19 28.077 -7.612 -4.666 1.00169.67 C ATOM 163 CZ TYR A 19 28.197 -7.749 -6.063 1.00168.93 C ATOM 164 OH TYR A 19 27.065 -7.775 -6.856 1.00167.23 O ATOM 165 N GLY A 20 31.711 -10.746 -4.847 1.00175.20 N ATOM 166 CA GLY A 20 31.941 -11.521 -6.051 1.00174.22 C ATOM 167 C GLY A 20 32.801 -12.728 -5.721 1.00177.33 C ATOM 168 O GLY A 20 32.487 -13.839 -6.133 1.00179.86 O ATOM 169 N LYS A 21 33.882 -12.526 -4.967 1.00159.46 N ATOM 170 CA LYS A 21 34.787 -13.628 -4.619 1.00154.46 C ATOM 171 C LYS A 21 34.157 -14.521 -3.550 1.00152.13 C ATOM 172 O LYS A 21 33.139 -14.142 -2.988 1.00152.77 O ATOM 173 CB LYS A 21 36.162 -13.095 -4.195 1.00156.67 C ATOM 174 CG LYS A 21 36.989 -12.541 -5.367 1.00155.89 C ATOM 175 CD LYS A 21 37.153 -13.624 -6.435 1.00153.89 C ATOM 176 CE LYS A 21 38.383 -13.384 -7.299 1.00153.32 C ATOM 177 NZ LYS A 21 38.968 -14.629 -7.886 1.00147.29 N ATOM 178 N VAL A 22 34.738 -15.696 -3.280 1.00149.23 N ATOM 179 CA VAL A 22 34.086 -16.719 -2.423 1.00144.03 C ATOM 180 C VAL A 22 35.054 -17.770 -1.813 1.00140.77 C ATOM 181 O VAL A 22 36.219 -17.856 -2.205 1.00144.54 O ATOM 182 CB VAL A 22 32.977 -17.477 -3.176 1.00139.58 C ATOM 183 CG1 VAL A 22 32.167 -16.525 -4.065 1.00135.77 C ATOM 184 CG2 VAL A 22 33.573 -18.595 -4.018 1.00142.83 C ATOM 185 N SER A 23 34.578 -18.588 -0.872 1.00125.17 N ATOM 186 CA SER A 23 35.424 -19.650 -0.309 1.00123.24 C ATOM 187 C SER A 23 34.623 -20.911 0.006 1.00117.42 C ATOM 188 O SER A 23 33.417 -20.957 -0.229 1.00115.84 O ATOM 189 CB SER A 23 36.194 -19.161 0.922 1.00114.38 C ATOM 190 OG SER A 23 37.416 -19.866 1.059 1.00106.94 O ATOM 191 N THR A 24 35.294 -21.939 0.517 1.00110.34 N ATOM 192 CA THR A 24 34.595 -23.171 0.875 1.00111.70 C ATOM 193 C THR A 24 34.672 -23.505 2.357 1.00113.46 C ATOM 194 O THR A 24 35.422 -22.890 3.110 1.00113.44 O ATOM 195 CB THR A 24 35.044 -24.397 0.050 1.00115.15 C ATOM 196 OG1 THR A 24 36.408 -24.723 0.348 1.00110.36 O ATOM 197 CG2 THR A 24 34.879 -24.123 -1.431 1.00111.34 C ATOM 198 N TYR A 25 33.875 -24.477 2.779 1.00127.64 N ATOM 199 CA TYR A 25 33.891 -24.883 4.169 1.00125.84 C ATOM 200 C TYR A 25 35.264 -25.406 4.495 1.00127.56 C ATOM 201 O TYR A 25 35.872 -25.020 5.483 1.00128.16 O ATOM 202 CB TYR A 25 32.863 -25.973 4.426 1.00124.99 C ATOM 203 CG TYR A 25 31.487 -25.580 4.016 1.00124.22 C ATOM 204 CD1 TYR A 25 30.793 -26.310 3.076 1.00126.73 C ATOM 205 CD2 TYR A 25 30.891 -24.447 4.527 1.00127.51 C ATOM 206 CE1 TYR A 25 29.519 -25.944 2.683 1.00129.97 C ATOM 207 CE2 TYR A 25 29.620 -24.079 4.130 1.00131.50 C ATOM 208 CZ TYR A 25 28.945 -24.829 3.212 1.00131.92 C ATOM 209 OH TYR A 25 27.683 -24.447 2.825 1.00135.73 O ATOM 210 N GLY A 26 35.760 -26.283 3.638 1.00118.74 N ATOM 211 CA GLY A 26 37.104 -26.780 3.795 1.00117.41 C ATOM 212 C GLY A 26 38.019 -25.635 4.159 1.00120.95 C ATOM 213 O GLY A 26 38.685 -25.653 5.176 1.00124.55 O ATOM 214 N GLU A 27 38.034 -24.612 3.326 1.00135.39 N ATOM 215 CA GLU A 27 39.076 -23.603 3.411 1.00135.92 C ATOM 216 C GLU A 27 39.038 -22.757 4.668 1.00129.45 C ATOM 217 O GLU A 27 40.052 -22.583 5.327 1.00132.25 O ATOM 218 CB GLU A 27 39.062 -22.721 2.166 1.00137.56 C ATOM 219 CG GLU A 27 40.061 -23.168 1.120 1.00141.54 C ATOM 220 CD GLU A 27 41.506 -23.128 1.624 1.00148.83 C ATOM 221 OE1 GLU A 27 41.735 -22.712 2.791 1.00135.93 O ATOM 222 OE2 GLU A 27 42.411 -23.508 0.837 1.00154.15 O ATOM 223 N ILE A 28 37.877 -22.217 4.994 1.00106.71 N ATOM 224 CA ILE A 28 37.749 -21.456 6.231 1.00115.90 C ATOM 225 C ILE A 28 38.129 -22.312 7.440 1.00112.52 C ATOM 226 O ILE A 28 38.711 -21.820 8.400 1.00108.69 O ATOM 227 CB ILE A 28 36.330 -20.948 6.421 1.00116.79 C ATOM 228 CG1 ILE A 28 35.669 -20.777 5.053 1.00115.83 C ATOM 229 CG2 ILE A 28 36.360 -19.636 7.179 1.00110.17 C ATOM 230 CD1 ILE A 28 36.176 -19.576 4.291 1.00114.09 C ATOM 231 N ALA A 29 37.806 -23.597 7.367 1.00131.78 N ATOM 232 CA ALA A 29 38.132 -24.548 8.412 1.00131.96 C ATOM 233 C ALA A 29 39.612 -24.560 8.762 1.00135.09 C ATOM 234 O ALA A 29 39.988 -24.699 9.922 1.00135.48 O ATOM 235 CB ALA A 29 37.687 -25.930 8.003 1.00135.69 C ATOM 236 N ARG A 30 40.473 -24.447 7.769 1.00131.67 N ATOM 237 CA ARG A 30 41.886 -24.445 8.095 1.00136.08 C ATOM 238 C ARG A 30 42.365 -23.032 8.360 1.00133.43 C ATOM 239 O ARG A 30 43.213 -22.819 9.228 1.00129.36 O ATOM 240 CB ARG A 30 42.701 -25.097 6.989 1.00129.18 C ATOM 241 CG ARG A 30 42.230 -24.754 5.622 1.00135.30 C ATOM 242 CD ARG A 30 43.020 -25.477 4.561 1.00144.04 C ATOM 243 NE ARG A 30 42.268 -25.550 3.313 1.00146.24 N ATOM 244 CZ ARG A 30 41.653 -26.642 2.870 1.00147.16 C ATOM 245 NH1 ARG A 30 41.739 -27.767 3.563 1.00139.86 N ATOM 246 NH2 ARG A 30 40.971 -26.611 1.725 1.00145.53 N ATOM 247 N TYR A 31 41.812 -22.068 7.622 1.00128.17 N ATOM 248 CA TYR A 31 42.219 -20.671 7.779 1.00132.89 C ATOM 249 C TYR A 31 42.333 -20.313 9.248 1.00132.01 C ATOM 250 O TYR A 31 43.361 -19.818 9.702 1.00133.23 O ATOM 251 CB TYR A 31 41.276 -19.700 7.053 1.00135.47 C ATOM 252 CG TYR A 31 41.672 -18.242 7.215 1.00140.88 C ATOM 253 CD1 TYR A 31 41.966 -17.710 8.479 1.00143.23 C ATOM 254 CD2 TYR A 31 41.760 -17.398 6.111 1.00139.31 C ATOM 255 CE1 TYR A 31 42.343 -16.381 8.634 1.00147.11 C ATOM 256 CE2 TYR A 31 42.130 -16.063 6.254 1.00144.04 C ATOM 257 CZ TYR A 31 42.423 -15.557 7.515 1.00147.44 C ATOM 258 OH TYR A 31 42.787 -14.231 7.669 1.00150.49 O ATOM 259 N VAL A 32 41.274 -20.575 9.995 1.00121.41 N ATOM 260 CA VAL A 32 41.288 -20.266 11.409 1.00121.31 C ATOM 261 C VAL A 32 42.096 -21.292 12.186 1.00119.44 C ATOM 262 O VAL A 32 42.097 -21.286 13.407 1.00121.99 O ATOM 263 CB VAL A 32 39.888 -20.207 11.975 1.00120.53 C ATOM 264 CG1 VAL A 32 39.273 -18.869 11.647 1.00122.83 C ATOM 265 CG2 VAL A 32 39.050 -21.336 11.401 1.00116.50 C ATOM 266 N GLY A 33 42.779 -22.181 11.476 1.00123.49 N ATOM 267 CA GLY A 33 43.676 -23.125 12.114 1.00122.15 C ATOM 268 C GLY A 33 43.000 -24.353 12.695 1.00123.45 C ATOM 269 O GLY A 33 43.551 -24.981 13.591 1.00120.04 O ATOM 270 N MET A 34 41.832 -24.722 12.167 1.00134.92 N ATOM 271 CA MET A 34 41.082 -25.869 12.697 1.00133.29 C ATOM 272 C MET A 34 40.650 -26.897 11.633 1.00132.39 C ATOM 273 O MET A 34 39.565 -27.473 11.716 1.00133.77 O ATOM 274 CB MET A 34 39.840 -25.388 13.448 1.00130.97 C ATOM 275 CG MET A 34 40.108 -24.682 14.770 1.00135.05 C ATOM 276 SD MET A 34 40.450 -25.834 16.116 1.00150.36 S ATOM 277 CE MET A 34 39.224 -27.108 15.777 1.00137.51 C ATOM 278 N PRO A 35 41.536 -27.198 10.684 1.00118.93 N ATOM 279 CA PRO A 35 41.279 -27.908 9.425 1.00120.14 C ATOM 280 C PRO A 35 40.227 -29.022 9.468 1.00119.83 C ATOM 281 O PRO A 35 39.443 -29.157 8.529 1.00117.06 O ATOM 282 CB PRO A 35 42.650 -28.500 9.083 1.00121.45 C ATOM 283 CG PRO A 35 43.383 -28.510 10.338 1.00126.78 C ATOM 284 CD PRO A 35 42.951 -27.293 11.059 1.00123.16 C ATOM 285 N SER A 36 40.188 -29.796 10.543 1.00112.08 N ATOM 286 CA SER A 36 39.315 -30.956 10.577 1.00110.34 C ATOM 287 C SER A 36 37.883 -30.567 10.859 1.00108.35 C ATOM 288 O SER A 36 37.138 -31.350 11.436 1.00108.43 O ATOM 289 CB SER A 36 39.795 -31.942 11.639 1.00108.32 C ATOM 290 OG SER A 36 40.160 -31.267 12.824 1.00108.51 O ATOM 291 N TYR A 37 37.481 -29.376 10.435 1.00114.13 N ATOM 292 CA TYR A 37 36.279 -28.798 11.006 1.00112.13 C ATOM 293 C TYR A 37 35.318 -28.088 10.076 1.00112.70 C ATOM 294 O TYR A 37 34.611 -27.195 10.523 1.00111.72 O ATOM 295 CB TYR A 37 36.679 -27.794 12.074 1.00119.05 C ATOM 296 CG TYR A 37 36.756 -28.386 13.447 1.00119.90 C ATOM 297 CD1 TYR A 37 37.656 -29.412 13.733 1.00121.37 C ATOM 298 CD2 TYR A 37 35.954 -27.911 14.472 1.00120.50 C ATOM 299 CE1 TYR A 37 37.727 -29.956 14.978 1.00118.45 C ATOM 300 CE2 TYR A 37 36.047 -28.443 15.736 1.00122.65 C ATOM 301 CZ TYR A 37 36.929 -29.461 15.984 1.00119.36 C ATOM 302 OH TYR A 37 36.996 -30.005 17.248 1.00118.71 O ATOM 303 N ALA A 38 35.273 -28.445 8.799 1.00114.97 N ATOM 304 CA ALA A 38 34.357 -27.745 7.908 1.00114.94 C ATOM 305 C ALA A 38 32.949 -28.107 8.319 1.00112.34 C ATOM 306 O ALA A 38 32.037 -27.283 8.272 1.00110.95 O ATOM 307 CB ALA A 38 34.605 -28.110 6.473 1.00117.48 C ATOM 308 N ARG A 39 32.783 -29.367 8.691 1.00105.75 N ATOM 309 CA ARG A 39 31.498 -29.868 9.116 1.00104.95 C ATOM 310 C ARG A 39 30.884 -28.791 9.981 1.00105.66 C ATOM 311 O ARG A 39 29.770 -28.340 9.729 1.00108.86 O ATOM 312 CB ARG A 39 31.700 -31.168 9.881 1.00102.10 C ATOM 313 CG ARG A 39 30.598 -32.173 9.720 1.00106.75 C ATOM 314 CD ARG A 39 30.168 -32.315 8.266 1.00110.37 C ATOM 315 NE ARG A 39 29.340 -33.493 8.015 1.00105.69 N ATOM 316 CZ ARG A 39 29.675 -34.735 8.355 1.00106.64 C ATOM 317 NH1 ARG A 39 28.867 -35.740 8.069 1.00104.85 N ATOM 318 NH2 ARG A 39 30.812 -34.977 8.986 1.00104.02 N ATOM 319 N GLN A 40 31.666 -28.338 10.957 1.00104.87 N ATOM 320 CA GLN A 40 31.246 -27.352 11.953 1.00103.18 C ATOM 321 C GLN A 40 31.164 -25.949 11.397 1.00103.13 C ATOM 322 O GLN A 40 30.817 -25.016 12.113 1.00105.83 O ATOM 323 CB GLN A 40 32.206 -27.355 13.135 1.00102.10 C ATOM 324 CG GLN A 40 32.032 -28.534 14.060 1.00104.80 C ATOM 325 CD GLN A 40 32.868 -29.720 13.656 1.00105.52 C ATOM 326 OE1 GLN A 40 32.945 -30.055 12.490 1.00106.96 O ATOM 327 NE2 GLN A 40 33.504 -30.358 14.619 1.00111.99 N ATOM 328 N VAL A 41 31.478 -25.801 10.120 1.00110.98 N ATOM 329 CA VAL A 41 31.404 -24.504 9.491 1.00111.31 C ATOM 330 C VAL A 41 30.066 -24.359 8.811 1.00114.26 C ATOM 331 O VAL A 41 29.449 -23.306 8.863 1.00118.58 O ATOM 332 CB VAL A 41 32.500 -24.327 8.468 1.00113.66 C ATOM 333 CG1 VAL A 41 32.594 -22.876 8.083 1.00112.61 C ATOM 334 CG2 VAL A 41 33.806 -24.776 9.043 1.00115.84 C ATOM 335 N GLY A 42 29.614 -25.417 8.161 1.00109.11 N ATOM 336 CA GLY A 42 28.250 -25.420 7.689 1.00112.44 C ATOM 337 C GLY A 42 27.474 -25.093 8.939 1.00116.40 C ATOM 338 O GLY A 42 26.698 -24.142 8.968 1.00115.02 O ATOM 339 N GLN A 43 27.731 -25.881 9.982 1.00130.93 N ATOM 340 CA GLN A 43 27.126 -25.724 11.301 1.00123.86 C ATOM 341 C GLN A 43 27.033 -24.271 11.740 1.00125.10 C ATOM 342 O GLN A 43 26.011 -23.826 12.260 1.00126.38 O ATOM 343 CB GLN A 43 27.951 -26.511 12.304 1.00123.56 C ATOM 344 CG GLN A 43 27.195 -27.600 13.030 1.00137.77 C ATOM 345 CD GLN A 43 25.966 -28.087 12.261 1.00140.63 C ATOM 346 OE1 GLN A 43 26.085 -28.671 11.176 1.00131.75 O ATOM 347 NE2 GLN A 43 24.773 -27.857 12.836 1.00140.32 N ATOM 348 N ALA A 44 28.094 -23.520 11.504 1.00100.51 N ATOM 349 CA ALA A 44 28.112 -22.132 11.910 1.00100.45 C ATOM 350 C ALA A 44 27.218 -21.257 11.044 1.00102.05 C ATOM 351 O ALA A 44 26.653 -20.267 11.509 1.00102.37 O ATOM 352 CB ALA A 44 29.517 -21.635 11.870 1.00 96.52 C ATOM 353 N MET A 45 27.079 -21.645 9.782 1.00113.99 N ATOM 354 CA MET A 45 26.365 -20.839 8.800 1.00114.14 C ATOM 355 C MET A 45 24.888 -21.066 8.973 1.00113.59 C ATOM 356 O MET A 45 24.075 -20.172 8.763 1.00113.02 O ATOM 357 CB MET A 45 26.819 -21.202 7.397 1.00116.62 C ATOM 358 CG MET A 45 28.293 -20.960 7.197 1.00113.91 C ATOM 359 SD MET A 45 28.695 -19.208 7.074 1.00120.15 S ATOM 360 CE MET A 45 28.954 -18.768 8.786 1.00118.77 C ATOM 361 N LYS A 46 24.555 -22.274 9.399 1.00121.70 N ATOM 362 CA LYS A 46 23.194 -22.584 9.773 1.00123.06 C ATOM 363 C LYS A 46 22.769 -21.758 11.000 1.00125.94 C ATOM 364 O LYS A 46 21.646 -21.245 11.031 1.00127.21 O ATOM 365 CB LYS A 46 23.039 -24.089 9.997 1.00121.72 C ATOM 366 CG LYS A 46 21.606 -24.558 10.056 1.00123.29 C ATOM 367 CD LYS A 46 21.507 -26.074 9.889 1.00132.69 C ATOM 368 CE LYS A 46 22.089 -26.838 11.080 1.00139.72 C ATOM 369 NZ LYS A 46 22.205 -28.306 10.793 1.00139.12 N ATOM 370 N HIS A 47 23.673 -21.579 11.972 1.00121.50 N ATOM 371 CA AHIS A 47 23.343 -20.884 13.212 0.50119.12 C ATOM 372 CA BHIS A 47 23.329 -20.879 13.219 0.50119.21 C ATOM 373 C HIS A 47 23.090 -19.381 13.031 1.00119.36 C ATOM 374 O HIS A 47 22.720 -18.682 13.965 1.00122.22 O ATOM 375 CB AHIS A 47 24.423 -21.147 14.268 0.50119.03 C ATOM 376 CB BHIS A 47 24.389 -21.092 14.310 0.50119.12 C ATOM 377 CG AHIS A 47 24.533 -22.582 14.687 0.50119.00 C ATOM 378 CG BHIS A 47 23.993 -20.532 15.641 0.50119.43 C ATOM 379 ND1AHIS A 47 23.956 -23.615 13.964 0.50118.54 N ATOM 380 ND1BHIS A 47 24.492 -19.339 16.128 0.50118.89 N ATOM 381 CD2AHIS A 47 25.130 -23.165 15.745 0.50118.85 C ATOM 382 CD2BHIS A 47 23.100 -20.962 16.562 0.50118.91 C ATOM 383 CE1AHIS A 47 24.205 -24.759 14.562 0.50116.80 C ATOM 384 CE1BHIS A 47 23.956 -19.088 17.306 0.50118.86 C ATOM 385 NE2AHIS A 47 24.926 -24.519 15.652 0.50116.64 N ATOM 386 NE2BHIS A 47 23.096 -20.055 17.590 0.50117.00 N ATOM 387 N LEU A 48 23.282 -18.898 11.817 1.00118.55 N ATOM 388 CA LEU A 48 23.061 -17.491 11.487 1.00124.49 C ATOM 389 C LEU A 48 21.613 -17.017 11.407 1.00130.71 C ATOM 390 O LEU A 48 20.757 -17.668 10.783 1.00128.10 O ATOM 391 CB LEU A 48 23.649 -17.209 10.115 1.00127.50 C ATOM 392 CG LEU A 48 25.135 -17.453 10.005 1.00122.13 C ATOM 393 CD1 LEU A 48 25.540 -17.551 8.568 1.00121.06 C ATOM 394 CD2 LEU A 48 25.819 -16.303 10.664 1.00123.95 C ATOM 395 N HIS A 49 21.371 -15.831 11.962 1.00146.61 N ATOM 396 CA HIS A 49 20.097 -15.140 11.783 1.00149.72 C ATOM 397 C HIS A 49 20.020 -14.437 10.415 1.00144.44 C ATOM 398 O HIS A 49 20.789 -13.512 10.144 1.00147.67 O ATOM 399 CB HIS A 49 19.894 -14.143 12.928 1.00150.14 C ATOM 400 CG HIS A 49 19.682 -14.794 14.260 1.00143.94 C ATOM 401 ND1 HIS A 49 20.416 -14.463 15.384 1.00153.51 N ATOM 402 CD2 HIS A 49 18.814 -15.755 14.651 1.00141.53 C ATOM 403 CE1 HIS A 49 20.002 -15.191 16.408 1.00153.16 C ATOM 404 NE2 HIS A 49 19.034 -15.986 15.988 1.00151.42 N ATOM 405 N PRO A 50 19.059 -14.859 9.572 1.00128.00 N ATOM 406 CA PRO A 50 18.795 -14.453 8.174 1.00128.75 C ATOM 407 C PRO A 50 19.090 -12.992 7.800 1.00127.31 C ATOM 408 O PRO A 50 19.798 -12.748 6.823 1.00131.74 O ATOM 409 CB PRO A 50 17.307 -14.762 8.000 1.00123.54 C ATOM 410 CG PRO A 50 17.089 -15.946 8.914 1.00130.43 C ATOM 411 CD PRO A 50 18.069 -15.838 10.055 1.00126.45 C ATOM 412 N GLU A 51 18.531 -12.039 8.530 1.00129.70 N ATOM 413 CA GLU A 51 18.905 -10.643 8.358 1.00131.57 C ATOM 414 C GLU A 51 20.259 -10.426 9.036 1.00135.20 C ATOM 415 O GLU A 51 20.411 -9.542 9.892 1.00135.53 O ATOM 416 CB GLU A 51 17.839 -9.730 8.976 1.00132.89 C ATOM 417 CG GLU A 51 16.633 -10.504 9.555 1.00136.77 C ATOM 418 CD GLU A 51 16.974 -11.280 10.854 1.00129.80 C ATOM 419 OE1 GLU A 51 17.680 -10.695 11.704 1.00126.27 O ATOM 420 OE2 GLU A 51 16.549 -12.455 11.030 1.00119.30 O ATOM 421 N THR A 52 21.237 -11.252 8.673 1.00129.13 N ATOM 422 CA THR A 52 22.597 -11.039 9.132 1.00127.75 C ATOM 423 C THR A 52 23.317 -10.226 8.077 1.00131.02 C ATOM 424 O THR A 52 22.969 -10.239 6.872 1.00129.83 O ATOM 425 CB THR A 52 23.374 -12.360 9.405 1.00124.79 C ATOM 426 OG1 THR A 52 24.786 -12.113 9.315 1.00119.86 O ATOM 427 CG2 THR A 52 22.967 -13.451 8.397 1.00126.03 C ATOM 428 N HIS A 53 24.331 -9.514 8.538 1.00146.16 N ATOM 429 CA HIS A 53 25.063 -8.624 7.661 1.00152.58 C ATOM 430 C HIS A 53 26.396 -9.265 7.272 1.00149.19 C ATOM 431 O HIS A 53 27.454 -8.638 7.205 1.00146.99 O ATOM 432 CB HIS A 53 25.136 -7.245 8.310 1.00152.01 C ATOM 433 CG HIS A 53 23.824 -6.536 8.275 1.00158.96 C ATOM 434 ND1 HIS A 53 22.647 -7.203 7.955 1.00161.18 N ATOM 435 CD2 HIS A 53 23.466 -5.241 8.475 1.00160.18 C ATOM 436 CE1 HIS A 53 21.638 -6.350 7.978 1.00158.80 C ATOM 437 NE2 HIS A 53 22.106 -5.160 8.290 1.00161.07 N ATOM 438 N VAL A 54 26.289 -10.549 6.966 1.00122.83 N ATOM 439 CA VAL A 54 27.433 -11.404 6.782 1.00120.02 C ATOM 440 C VAL A 54 27.157 -12.238 5.559 1.00117.18 C ATOM 441 O VAL A 54 26.011 -12.638 5.314 1.00112.73 O ATOM 442 CB VAL A 54 27.646 -12.287 8.020 1.00123.12 C ATOM 443 CG1 VAL A 54 27.407 -13.758 7.699 1.00121.97 C ATOM 444 CG2 VAL A 54 29.022 -12.078 8.599 1.00119.27 C ATOM 445 N PRO A 55 28.219 -12.471 4.777 1.00129.75 N ATOM 446 CA PRO A 55 28.257 -13.054 3.430 1.00128.46 C ATOM 447 C PRO A 55 28.008 -14.544 3.502 1.00123.62 C ATOM 448 O PRO A 55 28.666 -15.310 2.807 1.00120.74 O ATOM 449 CB PRO A 55 29.692 -12.757 2.955 1.00126.71 C ATOM 450 CG PRO A 55 30.177 -11.656 3.867 1.00129.41 C ATOM 451 CD PRO A 55 29.537 -11.954 5.182 1.00127.92 C ATOM 452 N TRP A 56 27.064 -14.933 4.353 1.00127.55 N ATOM 453 CA TRP A 56 26.751 -16.332 4.563 1.00126.71 C ATOM 454 C TRP A 56 26.658 -17.095 3.253 1.00126.52 C ATOM 455 O TRP A 56 26.824 -18.312 3.246 1.00125.26 O ATOM 456 CB TRP A 56 25.448 -16.475 5.352 1.00128.33 C ATOM 457 CG TRP A 56 24.260 -15.897 4.668 1.00130.75 C ATOM 458 CD1 TRP A 56 23.767 -14.621 4.806 1.00134.13 C ATOM 459 CD2 TRP A 56 23.396 -16.562 3.734 1.00134.84 C ATOM 460 NE1 TRP A 56 22.647 -14.459 4.016 1.00140.97 N ATOM 461 CE2 TRP A 56 22.398 -15.639 3.345 1.00140.02 C ATOM 462 CE3 TRP A 56 23.361 -17.860 3.191 1.00132.88 C ATOM 463 CZ2 TRP A 56 21.386 -15.962 2.423 1.00136.80 C ATOM 464 CZ3 TRP A 56 22.348 -18.179 2.273 1.00128.69 C ATOM 465 CH2 TRP A 56 21.378 -17.238 1.911 1.00129.34 C ATOM 466 N HIS A 57 26.407 -16.372 2.157 1.00145.02 N ATOM 467 CA HIS A 57 26.188 -16.974 0.829 1.00144.88 C ATOM 468 C HIS A 57 27.474 -17.284 0.075 1.00140.79 C ATOM 469 O HIS A 57 27.473 -18.031 -0.910 1.00140.63 O ATOM 470 CB HIS A 57 25.295 -16.085 -0.041 1.00144.53 C ATOM 471 CG HIS A 57 25.694 -14.638 -0.061 1.00146.55 C ATOM 472 ND1 HIS A 57 26.537 -14.069 0.873 1.00143.81 N ATOM 473 CD2 HIS A 57 25.344 -13.639 -0.908 1.00151.28 C ATOM 474 CE1 HIS A 57 26.684 -12.783 0.605 1.00146.68 C ATOM 475 NE2 HIS A 57 25.978 -12.499 -0.473 1.00152.55 N ATOM 476 N ARG A 58 28.572 -16.700 0.539 1.00119.46 N ATOM 477 CA ARG A 58 29.852 -16.805 -0.161 1.00115.86 C ATOM 478 C ARG A 58 30.688 -18.000 0.284 1.00115.02 C ATOM 479 O ARG A 58 31.917 -17.932 0.302 1.00116.52 O ATOM 480 CB ARG A 58 30.660 -15.531 0.058 1.00116.22 C ATOM 481 CG ARG A 58 29.824 -14.280 -0.081 1.00120.09 C ATOM 482 CD ARG A 58 30.457 -13.337 -1.063 1.00129.86 C ATOM 483 NE ARG A 58 31.114 -12.232 -0.382 1.00134.86 N ATOM 484 CZ ARG A 58 30.549 -11.042 -0.207 1.00137.54 C ATOM 485 NH1 ARG A 58 29.321 -10.814 -0.678 1.00132.74 N ATOM 486 NH2 ARG A 58 31.209 -10.080 0.431 1.00136.70 N ATOM 487 N VAL A 59 30.018 -19.093 0.629 1.00120.23 N ATOM 488 CA VAL A 59 30.692 -20.260 1.181 1.00120.21 C ATOM 489 C VAL A 59 30.012 -21.538 0.782 1.00120.85 C ATOM 490 O VAL A 59 28.880 -21.817 1.203 1.00121.71 O ATOM 491 CB VAL A 59 30.737 -20.249 2.717 1.00117.85 C ATOM 492 CG1 VAL A 59 31.666 -21.367 3.237 1.00119.81 C ATOM 493 CG2 VAL A 59 31.196 -18.901 3.242 1.00117.76 C ATOM 494 N ILE A 60 30.736 -22.330 0.003 1.00120.12 N ATOM 495 CA ILE A 60 30.167 -23.504 -0.631 1.00122.24 C ATOM 496 C ILE A 60 31.105 -24.661 -0.338 1.00121.51 C ATOM 497 O ILE A 60 32.159 -24.458 0.259 1.00121.34 O ATOM 498 CB ILE A 60 30.096 -23.285 -2.126 1.00113.10 C ATOM 499 CG1 ILE A 60 31.522 -23.246 -2.656 1.00118.32 C ATOM 500 CG2 ILE A 60 29.419 -21.978 -2.422 1.00109.97 C ATOM 501 CD1 ILE A 60 31.684 -22.684 -4.047 1.00127.78 C ATOM 502 N ASN A 61 30.746 -25.870 -0.756 1.00115.70 N ATOM 503 CA ASN A 61 31.620 -27.017 -0.523 1.00116.79 C ATOM 504 C ASN A 61 32.871 -26.943 -1.411 1.00119.68 C ATOM 505 O ASN A 61 33.020 -26.007 -2.200 1.00115.20 O ATOM 506 CB ASN A 61 30.860 -28.326 -0.765 1.00119.79 C ATOM 507 CG ASN A 61 30.113 -28.333 -2.102 1.00120.40 C ATOM 508 OD1 ASN A 61 30.713 -28.139 -3.154 1.00115.67 O ATOM 509 ND2 ASN A 61 28.806 -28.583 -2.060 1.00121.27 N ATOM 510 N SER A 62 33.758 -27.931 -1.295 1.00139.05 N ATOM 511 CA SER A 62 34.952 -27.974 -2.136 1.00135.10 C ATOM 512 C SER A 62 34.598 -28.326 -3.597 1.00139.76 C ATOM 513 O SER A 62 35.298 -27.936 -4.543 1.00137.59 O ATOM 514 CB SER A 62 35.966 -28.979 -1.590 1.00137.07 C ATOM 515 OG SER A 62 35.567 -30.310 -1.861 1.00134.02 O ATOM 516 N ARG A 63 33.533 -29.103 -3.780 1.00136.17 N ATOM 517 CA ARG A 63 33.055 -29.439 -5.124 1.00135.75 C ATOM 518 C ARG A 63 32.615 -28.200 -5.867 1.00129.83 C ATOM 519 O ARG A 63 32.230 -28.293 -7.016 1.00131.07 O ATOM 520 CB ARG A 63 31.854 -30.386 -5.065 1.00140.31 C ATOM 521 CG ARG A 63 32.212 -31.831 -4.910 1.00143.61 C ATOM 522 CD ARG A 63 31.011 -32.628 -4.491 1.00147.53 C ATOM 523 NE ARG A 63 29.820 -32.237 -5.244 1.00151.24 N ATOM 524 CZ ARG A 63 28.617 -32.079 -4.697 1.00155.12 C ATOM 525 NH1 ARG A 63 28.452 -32.268 -3.388 1.00149.35 N ATOM 526 NH2 ARG A 63 27.582 -31.724 -5.452 1.00153.06 N ATOM 527 N GLY A 64 32.620 -27.053 -5.202 1.00112.20 N ATOM 528 CA GLY A 64 32.144 -25.830 -5.819 1.00108.43 C ATOM 529 C GLY A 64 30.677 -25.869 -6.197 1.00111.78 C ATOM 530 O GLY A 64 30.272 -25.204 -7.143 1.00117.95 O ATOM 531 N THR A 65 29.886 -26.658 -5.472 1.00140.80 N ATOM 532 CA THR A 65 28.422 -26.634 -5.597 1.00141.44 C ATOM 533 C THR A 65 27.763 -25.876 -4.447 1.00144.21 C ATOM 534 O THR A 65 28.424 -25.453 -3.493 1.00141.46 O ATOM 535 CB THR A 65 27.818 -28.057 -5.580 1.00143.22 C ATOM 536 OG1 THR A 65 28.235 -28.724 -4.375 1.00147.33 O ATOM 537 CG2 THR A 65 28.261 -28.821 -6.807 1.00141.77 C ATOM 538 N ILE A 66 26.451 -25.699 -4.545 1.00147.46 N ATOM 539 CA ILE A 66 25.693 -25.196 -3.419 1.00146.77 C ATOM 540 C ILE A 66 25.267 -26.441 -2.659 1.00151.45 C ATOM 541 O ILE A 66 24.965 -27.472 -3.276 1.00147.77 O ATOM 542 CB ILE A 66 24.474 -24.379 -3.865 1.00144.92 C ATOM 543 CG1 ILE A 66 24.903 -23.270 -4.826 1.00148.11 C ATOM 544 CG2 ILE A 66 23.731 -23.796 -2.658 1.00149.51 C ATOM 545 CD1 ILE A 66 24.206 -21.941 -4.594 1.00149.77 C ATOM 546 N SER A 67 25.267 -26.352 -1.330 1.00119.14 N ATOM 547 CA SER A 67 24.949 -27.487 -0.486 1.00112.07 C ATOM 548 C SER A 67 23.449 -27.528 -0.261 1.00116.46 C ATOM 549 O SER A 67 22.749 -26.545 -0.522 1.00116.76 O ATOM 550 CB SER A 67 25.710 -27.371 0.829 1.00116.62 C ATOM 551 OG SER A 67 26.987 -26.808 0.594 1.00111.03 O ATOM 552 N LYS A 68 22.964 -28.667 0.225 1.00150.08 N ATOM 553 CA LYS A 68 21.521 -28.921 0.320 1.00156.60 C ATOM 554 C LYS A 68 20.755 -28.155 1.405 1.00158.73 C ATOM 555 O LYS A 68 19.809 -27.420 1.088 1.00159.06 O ATOM 556 CB LYS A 68 21.229 -30.416 0.443 1.00159.65 C ATOM 557 CG LYS A 68 19.866 -30.806 -0.131 1.00159.35 C ATOM 558 CD LYS A 68 19.365 -29.815 -1.209 1.00164.14 C ATOM 559 CE LYS A 68 20.168 -29.868 -2.518 1.00158.69 C ATOM 560 NZ LYS A 68 19.706 -28.862 -3.541 1.00150.48 N ATOM 561 N ARG A 69 21.109 -28.363 2.673 1.00146.70 N ATOM 562 CA ARG A 69 20.578 -27.494 3.710 1.00146.71 C ATOM 563 C ARG A 69 19.220 -27.993 4.224 1.00150.74 C ATOM 564 O ARG A 69 18.882 -27.777 5.398 1.00152.03 O ATOM 565 CB ARG A 69 20.445 -26.078 3.132 1.00141.63 C ATOM 566 CG ARG A 69 20.010 -24.983 4.070 1.00147.74 C ATOM 567 CD ARG A 69 19.658 -23.756 3.234 1.00145.47 C ATOM 568 NE ARG A 69 20.820 -22.940 2.865 1.00140.10 N ATOM 569 CZ ARG A 69 21.876 -23.356 2.168 1.00132.47 C ATOM 570 NH1 ARG A 69 21.968 -24.608 1.765 1.00132.20 N ATOM 571 NH2 ARG A 69 22.859 -22.510 1.893 1.00128.18 N ATOM 572 N ASP A 70 18.458 -28.659 3.350 1.00153.08 N ATOM 573 CA ASP A 70 17.090 -29.109 3.638 1.00155.13 C ATOM 574 C ASP A 70 16.196 -28.040 4.305 1.00155.73 C ATOM 575 O ASP A 70 15.575 -27.232 3.594 1.00150.17 O ATOM 576 CB ASP A 70 17.088 -30.465 4.385 1.00159.06 C ATOM 577 CG ASP A 70 17.586 -30.368 5.842 1.00157.53 C ATOM 578 OD1 ASP A 70 16.726 -30.449 6.751 1.00150.72 O ATOM 579 OD2 ASP A 70 18.816 -30.263 6.094 1.00157.05 O ATOM 580 N ILE A 71 16.152 -28.035 5.648 1.00175.70 N ATOM 581 CA ILE A 71 15.241 -27.173 6.423 1.00175.73 C ATOM 582 C ILE A 71 15.257 -25.703 5.978 1.00175.17 C ATOM 583 O ILE A 71 14.781 -24.829 6.693 1.00175.85 O ATOM 584 CB ILE A 71 15.481 -27.246 7.988 1.00181.74 C ATOM 585 CG1 ILE A 71 16.619 -28.210 8.337 1.00180.78 C ATOM 586 CG2 ILE A 71 14.177 -27.571 8.766 1.00176.81 C ATOM 587 CD1 ILE A 71 17.898 -27.503 8.677 1.00177.79 C ATOM 588 N SER A 72 15.817 -25.426 4.810 1.00134.47 N ATOM 589 CA SER A 72 15.651 -24.126 4.186 1.00131.76 C ATOM 590 C SER A 72 15.642 -24.334 2.691 1.00133.54 C ATOM 591 O SER A 72 16.522 -23.870 1.978 1.00130.32 O ATOM 592 CB SER A 72 16.748 -23.151 4.606 1.00131.24 C ATOM 593 OG SER A 72 16.483 -22.594 5.887 1.00132.37 O ATOM 594 N ALA A 73 14.638 -25.093 2.260 1.00149.26 N ATOM 595 CA ALA A 73 14.284 -25.276 0.855 1.00146.10 C ATOM 596 C ALA A 73 14.847 -24.147 -0.010 1.00143.60 C ATOM 597 O ALA A 73 15.520 -24.388 -1.017 1.00145.63 O ATOM 598 CB ALA A 73 12.792 -25.355 0.717 1.00142.63 C ATOM 599 N GLY A 74 14.576 -22.912 0.390 1.00129.53 N ATOM 600 CA GLY A 74 15.190 -21.765 -0.245 1.00126.64 C ATOM 601 C GLY A 74 16.692 -21.727 0.015 1.00130.74 C ATOM 602 O GLY A 74 17.254 -20.670 0.268 1.00130.08 O ATOM 603 N GLU A 75 17.345 -22.885 0.007 1.00160.35 N ATOM 604 CA GLU A 75 18.803 -22.936 -0.102 1.00159.68 C ATOM 605 C GLU A 75 19.109 -22.155 -1.364 1.00159.49 C ATOM 606 O GLU A 75 20.093 -21.414 -1.465 1.00155.08 O ATOM 607 CB GLU A 75 19.266 -24.387 -0.264 1.00161.82 C ATOM 608 CG GLU A 75 18.549 -25.166 -1.389 1.00159.62 C ATOM 609 CD GLU A 75 19.140 -24.891 -2.761 1.00160.17 C ATOM 610 OE1 GLU A 75 19.910 -23.914 -2.913 1.00158.35 O ATOM 611 OE2 GLU A 75 18.824 -25.648 -3.703 1.00164.99 O ATOM 612 N GLN A 76 18.227 -22.358 -2.338 1.00144.88 N ATOM 613 CA GLN A 76 18.160 -21.551 -3.536 1.00137.70 C ATOM 614 C GLN A 76 18.487 -20.090 -3.212 1.00142.85 C ATOM 615 O GLN A 76 19.201 -19.433 -3.975 1.00143.66 O ATOM 616 CB GLN A 76 16.758 -21.667 -4.124 1.00133.25 C ATOM 617 CG GLN A 76 16.560 -20.958 -5.449 1.00146.97 C ATOM 618 CD GLN A 76 16.154 -21.923 -6.572 1.00154.69 C ATOM 619 OE1 GLN A 76 15.834 -21.510 -7.702 1.00146.46 O ATOM 620 NE2 GLN A 76 16.167 -23.223 -6.258 1.00154.34 N ATOM 621 N ARG A 77 17.979 -19.593 -2.079 1.00133.97 N ATOM 622 CA ARG A 77 18.258 -18.225 -1.633 1.00127.11 C ATOM 623 C ARG A 77 19.723 -17.864 -1.855 1.00128.86 C ATOM 624 O ARG A 77 20.050 -16.743 -2.266 1.00129.87 O ATOM 625 CB ARG A 77 17.868 -18.025 -0.157 1.00137.71 C ATOM 626 CG ARG A 77 18.046 -16.582 0.368 1.00140.46 C ATOM 627 CD ARG A 77 17.138 -16.268 1.558 1.00130.59 C ATOM 628 NE ARG A 77 17.493 -17.012 2.763 1.00135.25 N ATOM 629 CZ ARG A 77 18.043 -16.464 3.853 1.00142.54 C ATOM 630 NH1 ARG A 77 18.307 -15.158 3.884 1.00138.81 N ATOM 631 NH2 ARG A 77 18.334 -17.212 4.922 1.00138.21 N ATOM 632 N GLN A 78 20.592 -18.839 -1.615 1.00124.25 N ATOM 633 CA GLN A 78 22.035 -18.624 -1.647 1.00128.41 C ATOM 634 C GLN A 78 22.508 -18.303 -3.056 1.00130.20 C ATOM 635 O GLN A 78 23.392 -17.465 -3.252 1.00131.32 O ATOM 636 CB GLN A 78 22.756 -19.851 -1.073 1.00130.07 C ATOM 637 CG GLN A 78 24.076 -20.244 -1.705 1.00126.22 C ATOM 638 CD GLN A 78 25.061 -20.795 -0.684 1.00122.28 C ATOM 639 OE1 GLN A 78 25.078 -21.992 -0.379 1.00119.55 O ATOM 640 NE2 GLN A 78 25.891 -19.915 -0.154 1.00119.73 N ATOM 641 N LYS A 79 21.909 -18.977 -4.032 1.00151.24 N ATOM 642 CA LYS A 79 22.212 -18.736 -5.430 1.00155.65 C ATOM 643 C LYS A 79 22.063 -17.258 -5.758 1.00158.36 C ATOM 644 O LYS A 79 23.053 -16.536 -5.875 1.00156.44 O ATOM 645 CB LYS A 79 21.272 -19.551 -6.337 1.00161.46 C ATOM 646 CG LYS A 79 21.358 -19.182 -7.840 1.00163.88 C ATOM 647 CD LYS A 79 20.040 -19.442 -8.585 1.00166.59 C ATOM 648 CE LYS A 79 20.110 -19.005 -10.066 1.00173.35 C ATOM 649 NZ LYS A 79 18.812 -19.095 -10.831 1.00173.02 N ATOM 650 N ASP A 80 20.812 -16.820 -5.889 1.00161.66 N ATOM 651 CA ASP A 80 20.508 -15.516 -6.476 1.00164.21 C ATOM 652 C ASP A 80 21.180 -14.369 -5.744 1.00163.72 C ATOM 653 O ASP A 80 21.440 -13.303 -6.320 1.00163.91 O ATOM 654 CB ASP A 80 18.996 -15.310 -6.609 1.00168.62 C ATOM 655 CG ASP A 80 18.419 -16.049 -7.827 1.00179.94 C ATOM 656 OD1 ASP A 80 17.857 -17.164 -7.641 1.00179.96 O ATOM 657 OD2 ASP A 80 18.547 -15.529 -8.977 1.00178.53 O ATOM 658 N ARG A 81 21.477 -14.607 -4.472 1.00169.92 N ATOM 659 CA ARG A 81 22.260 -13.667 -3.693 1.00169.22 C ATOM 660 C ARG A 81 23.644 -13.526 -4.337 1.00169.14 C ATOM 661 O ARG A 81 24.389 -12.603 -4.026 1.00171.23 O ATOM 662 CB ARG A 81 22.358 -14.133 -2.232 1.00167.80 C ATOM 663 CG ARG A 81 21.079 -13.915 -1.384 1.00168.91 C ATOM 664 CD ARG A 81 21.053 -12.514 -0.751 1.00173.27 C ATOM 665 NE ARG A 81 20.796 -12.519 0.697 1.00173.54 N ATOM 666 CZ ARG A 81 21.654 -12.065 1.616 1.00174.64 C ATOM 667 NH1 ARG A 81 22.848 -11.604 1.246 1.00171.22 N ATOM 668 NH2 ARG A 81 21.338 -12.100 2.914 1.00168.95 N ATOM 669 N LEU A 82 23.960 -14.418 -5.270 1.00143.21 N ATOM 670 CA LEU A 82 25.297 -14.481 -5.841 1.00142.89 C ATOM 671 C LEU A 82 25.330 -14.044 -7.295 1.00148.49 C ATOM 672 O LEU A 82 26.357 -13.567 -7.786 1.00150.46 O ATOM 673 CB LEU A 82 25.864 -15.889 -5.699 1.00139.22 C ATOM 674 CG LEU A 82 26.643 -16.213 -4.422 1.00143.74 C ATOM 675 CD1 LEU A 82 26.892 -17.726 -4.329 1.00136.68 C ATOM 676 CD2 LEU A 82 27.961 -15.437 -4.346 1.00138.45 C ATOM 677 N GLU A 83 24.208 -14.221 -7.990 1.00158.68 N ATOM 678 CA GLU A 83 24.036 -13.635 -9.317 1.00153.03 C ATOM 679 C GLU A 83 23.977 -12.115 -9.103 1.00154.41 C ATOM 680 O GLU A 83 24.404 -11.325 -9.946 1.00154.41 O ATOM 681 CB GLU A 83 22.771 -14.174 -9.994 1.00152.59 C ATOM 682 CG GLU A 83 22.914 -15.611 -10.505 1.00156.44 C ATOM 683 CD GLU A 83 21.919 -15.974 -11.629 1.00161.78 C ATOM 684 OE1 GLU A 83 22.345 -16.670 -12.600 1.00151.60 O ATOM 685 OE2 GLU A 83 20.720 -15.589 -11.534 1.00162.60 O ATOM 686 N GLU A 84 23.481 -11.722 -7.929 1.00175.41 N ATOM 687 CA GLU A 84 23.589 -10.351 -7.447 1.00174.24 C ATOM 688 C GLU A 84 25.051 -10.105 -7.058 1.00176.43 C ATOM 689 O GLU A 84 25.326 -9.395 -6.090 1.00177.44 O ATOM 690 CB GLU A 84 22.703 -10.159 -6.208 1.00175.50 C ATOM 691 CG GLU A 84 21.196 -10.002 -6.441 1.00177.26 C ATOM 692 CD GLU A 84 20.448 -9.611 -5.149 1.00187.39 C ATOM 693 OE1 GLU A 84 20.502 -10.371 -4.144 1.00184.30 O ATOM 694 OE2 GLU A 84 19.817 -8.524 -5.122 1.00189.59 O ATOM 695 N GLU A 85 25.986 -10.718 -7.788 1.00186.30 N ATOM 696 CA GLU A 85 27.421 -10.581 -7.507 1.00186.95 C ATOM 697 C GLU A 85 28.241 -10.735 -8.798 1.00186.19 C ATOM 698 O GLU A 85 29.450 -10.478 -8.812 1.00184.86 O ATOM 699 CB GLU A 85 27.883 -11.587 -6.438 1.00183.01 C ATOM 700 CG GLU A 85 26.967 -11.622 -5.197 1.00184.11 C ATOM 701 CD GLU A 85 27.691 -11.349 -3.848 1.00189.17 C ATOM 702 OE1 GLU A 85 28.925 -11.122 -3.849 1.00192.43 O ATOM 703 OE2 GLU A 85 27.026 -11.364 -2.775 1.00181.45 O ATOM 704 N GLY A 86 27.575 -11.151 -9.878 1.00159.80 N ATOM 705 CA GLY A 86 28.195 -11.246 -11.193 1.00163.78 C ATOM 706 C GLY A 86 28.740 -12.624 -11.506 1.00164.00 C ATOM 707 O GLY A 86 29.603 -12.786 -12.380 1.00161.40 O ATOM 708 N VAL A 87 28.239 -13.618 -10.782 1.00169.78 N ATOM 709 CA VAL A 87 28.760 -14.963 -10.920 1.00170.34 C ATOM 710 C VAL A 87 27.794 -15.796 -11.751 1.00167.19 C ATOM 711 O VAL A 87 26.609 -15.907 -11.411 1.00168.46 O ATOM 712 CB VAL A 87 29.036 -15.623 -9.544 1.00166.51 C ATOM 713 CG1 VAL A 87 29.904 -16.871 -9.739 1.00165.04 C ATOM 714 CG2 VAL A 87 29.723 -14.641 -8.578 1.00161.92 C ATOM 715 N GLU A 88 28.292 -16.357 -12.849 1.00144.09 N ATOM 716 CA GLU A 88 27.447 -17.168 -13.712 1.00145.49 C ATOM 717 C GLU A 88 27.320 -18.574 -13.135 1.00140.09 C ATOM 718 O GLU A 88 28.313 -19.178 -12.725 1.00135.12 O ATOM 719 CB GLU A 88 28.033 -17.229 -15.118 1.00152.54 C ATOM 720 CG GLU A 88 29.478 -17.698 -15.152 1.00158.01 C ATOM 721 CD GLU A 88 30.077 -17.737 -16.551 1.00152.61 C ATOM 722 OE1 GLU A 88 30.032 -16.699 -17.250 1.00156.44 O ATOM 723 OE2 GLU A 88 30.606 -18.809 -16.934 1.00146.30 O ATOM 724 N ILE A 89 26.091 -19.078 -13.079 1.00124.81 N ATOM 725 CA ILE A 89 25.791 -20.326 -12.381 1.00125.58 C ATOM 726 C ILE A 89 24.921 -21.228 -13.258 1.00122.58 C ATOM 727 O ILE A 89 23.932 -20.770 -13.837 1.00118.12 O ATOM 728 CB ILE A 89 25.038 -20.059 -11.051 1.00134.21 C ATOM 729 CG1 ILE A 89 25.553 -18.779 -10.360 1.00132.17 C ATOM 730 CG2 ILE A 89 25.069 -21.302 -10.153 1.00128.55 C ATOM 731 CD1 ILE A 89 27.004 -18.781 -10.037 1.00127.60 C ATOM 732 N TYR A 90 25.292 -22.503 -13.355 1.00127.11 N ATOM 733 CA TYR A 90 24.552 -23.469 -14.165 1.00131.06 C ATOM 734 C TYR A 90 24.236 -24.699 -13.342 1.00134.79 C ATOM 735 O TYR A 90 24.205 -24.658 -12.111 1.00139.94 O ATOM 736 CB TYR A 90 25.388 -23.897 -15.364 1.00132.17 C ATOM 737 CG TYR A 90 26.772 -24.351 -14.956 1.00133.88 C ATOM 738 CD1 TYR A 90 27.722 -23.420 -14.526 1.00132.69 C ATOM 739 CD2 TYR A 90 27.141 -25.694 -15.007 1.00130.93 C ATOM 740 CE1 TYR A 90 28.996 -23.801 -14.152 1.00127.84 C ATOM 741 CE2 TYR A 90 28.423 -26.091 -14.639 1.00130.60 C ATOM 742 CZ TYR A 90 29.346 -25.137 -14.211 1.00129.78 C ATOM 743 OH TYR A 90 30.622 -25.512 -13.846 1.00126.73 O ATOM 744 N GLN A 91 24.030 -25.810 -14.033 1.00138.53 N ATOM 745 CA GLN A 91 23.804 -27.081 -13.366 1.00142.73 C ATOM 746 C GLN A 91 24.229 -28.259 -14.219 1.00145.64 C ATOM 747 O GLN A 91 25.099 -28.165 -15.092 1.00145.08 O ATOM 748 CB GLN A 91 22.321 -27.246 -13.012 1.00146.75 C ATOM 749 CG GLN A 91 21.367 -27.115 -14.187 1.00144.44 C ATOM 750 CD GLN A 91 20.214 -26.190 -13.854 1.00145.23 C ATOM 751 OE1 GLN A 91 19.127 -26.278 -14.434 1.00141.55 O ATOM 752 NE2 GLN A 91 20.451 -25.288 -12.901 1.00151.74 N ATOM 753 N THR A 92 23.612 -29.390 -13.920 1.00166.85 N ATOM 754 CA THR A 92 23.729 -30.577 -14.745 1.00170.61 C ATOM 755 C THR A 92 22.306 -31.065 -14.920 1.00171.73 C ATOM 756 O THR A 92 21.364 -30.377 -14.490 1.00170.37 O ATOM 757 CB THR A 92 24.538 -31.654 -14.022 1.00170.11 C ATOM 758 OG1 THR A 92 24.859 -31.196 -12.694 1.00159.11 O ATOM 759 CG2 THR A 92 25.820 -31.977 -14.801 1.00164.93 C ATOM 760 N SER A 93 22.129 -32.225 -15.554 1.00188.15 N ATOM 761 CA SER A 93 20.818 -32.871 -15.517 1.00187.49 C ATOM 762 C SER A 93 20.733 -33.572 -14.177 1.00187.19 C ATOM 763 O SER A 93 19.751 -34.259 -13.878 1.00185.69 O ATOM 764 CB SER A 93 20.582 -33.834 -16.691 1.00180.36 C ATOM 765 OG SER A 93 20.103 -33.108 -17.810 1.00184.48 O ATOM 766 N LEU A 94 21.800 -33.409 -13.391 1.00149.15 N ATOM 767 CA LEU A 94 21.751 -33.686 -11.962 1.00149.35 C ATOM 768 C LEU A 94 21.136 -32.454 -11.309 1.00149.71 C ATOM 769 O LEU A 94 20.804 -32.462 -10.116 1.00144.14 O ATOM 770 CB LEU A 94 23.145 -33.977 -11.374 1.00150.00 C ATOM 771 CG LEU A 94 23.878 -35.243 -11.826 1.00142.61 C ATOM 772 CD1 LEU A 94 25.018 -35.575 -10.873 1.00137.64 C ATOM 773 CD2 LEU A 94 22.932 -36.431 -11.947 1.00134.96 C ATOM 774 N GLY A 95 20.995 -31.398 -12.116 1.00172.36 N ATOM 775 CA GLY A 95 20.299 -30.185 -11.722 1.00174.77 C ATOM 776 C GLY A 95 20.813 -29.530 -10.447 1.00174.65 C ATOM 777 O GLY A 95 20.069 -28.837 -9.736 1.00173.08 O ATOM 778 N GLU A 96 22.078 -29.763 -10.125 1.00171.04 N ATOM 779 CA GLU A 96 22.692 -29.030 -9.022 1.00170.12 C ATOM 780 C GLU A 96 22.968 -27.592 -9.444 1.00170.70 C ATOM 781 O GLU A 96 22.402 -27.092 -10.421 1.00170.70 O ATOM 782 CB GLU A 96 24.002 -29.690 -8.622 1.00169.73 C ATOM 783 CG GLU A 96 23.889 -31.172 -8.332 1.00173.81 C ATOM 784 CD GLU A 96 25.113 -31.706 -7.613 1.00175.30 C ATOM 785 OE1 GLU A 96 25.198 -32.936 -7.421 1.00178.96 O ATOM 786 OE2 GLU A 96 25.988 -30.895 -7.228 1.00171.95 O ATOM 787 N TYR A 97 23.857 -26.938 -8.709 1.00169.27 N ATOM 788 CA TYR A 97 24.406 -25.656 -9.135 1.00169.74 C ATOM 789 C TYR A 97 25.918 -25.824 -9.049 1.00166.65 C ATOM 790 O TYR A 97 26.401 -26.597 -8.224 1.00166.29 O ATOM 791 CB TYR A 97 23.907 -24.507 -8.249 1.00172.27 C ATOM 792 CG TYR A 97 22.415 -24.201 -8.442 1.00179.86 C ATOM 793 CD1 TYR A 97 21.986 -23.150 -9.284 1.00181.02 C ATOM 794 CD2 TYR A 97 21.427 -24.967 -7.797 1.00180.86 C ATOM 795 CE1 TYR A 97 20.614 -22.873 -9.470 1.00181.78 C ATOM 796 CE2 TYR A 97 20.051 -24.689 -7.979 1.00182.60 C ATOM 797 CZ TYR A 97 19.654 -23.648 -8.817 1.00182.95 C ATOM 798 OH TYR A 97 18.302 -23.386 -8.987 1.00182.24 O ATOM 799 N LYS A 98 26.664 -25.144 -9.912 1.00143.07 N ATOM 800 CA LYS A 98 28.110 -25.348 -9.992 1.00138.38 C ATOM 801 C LYS A 98 28.746 -24.038 -10.385 1.00137.74 C ATOM 802 O LYS A 98 28.034 -23.101 -10.743 1.00141.74 O ATOM 803 CB LYS A 98 28.452 -26.471 -10.995 1.00141.90 C ATOM 804 CG LYS A 98 29.933 -26.871 -11.018 1.00140.93 C ATOM 805 CD LYS A 98 30.111 -28.404 -11.052 1.00139.70 C ATOM 806 CE LYS A 98 31.520 -28.809 -11.484 1.00146.21 C ATOM 807 NZ LYS A 98 31.801 -28.475 -12.931 1.00148.56 N ATOM 808 N LEU A 99 30.069 -23.953 -10.291 1.00132.57 N ATOM 809 CA LEU A 99 30.752 -22.787 -10.823 1.00141.26 C ATOM 810 C LEU A 99 32.251 -22.981 -11.074 1.00142.21 C ATOM 811 O LEU A 99 32.905 -23.871 -10.490 1.00134.26 O ATOM 812 CB LEU A 99 30.566 -21.594 -9.907 1.00133.53 C ATOM 813 CG LEU A 99 31.810 -21.552 -9.040 1.00135.94 C ATOM 814 CD1 LEU A 99 32.524 -20.226 -9.203 1.00137.68 C ATOM 815 CD2 LEU A 99 31.457 -21.842 -7.586 1.00141.81 C ATOM 816 N ASN A 100 32.773 -22.123 -11.955 1.00162.76 N ATOM 817 CA ASN A 100 34.207 -22.017 -12.195 1.00161.42 C ATOM 818 C ASN A 100 34.945 -21.658 -10.905 1.00157.20 C ATOM 819 O ASN A 100 35.186 -20.484 -10.623 1.00156.45 O ATOM 820 CB ASN A 100 34.489 -20.964 -13.265 1.00166.84 C ATOM 821 CG ASN A 100 35.922 -21.003 -13.757 1.00167.73 C ATOM 822 OD1 ASN A 100 36.864 -20.927 -12.960 1.00162.17 O ATOM 823 ND2 ASN A 100 36.096 -21.142 -15.081 1.00165.55 N ATOM 824 N LEU A 101 35.309 -22.680 -10.136 1.00146.35 N ATOM 825 CA LEU A 101 35.939 -22.485 -8.839 1.00146.59 C ATOM 826 C LEU A 101 37.195 -21.593 -8.935 1.00148.54 C ATOM 827 O LEU A 101 37.157 -20.428 -8.521 1.00147.40 O ATOM 828 CB LEU A 101 36.200 -23.837 -8.163 1.00143.37 C ATOM 829 CG LEU A 101 36.012 -23.832 -6.640 1.00150.56 C ATOM 830 CD1 LEU A 101 35.710 -22.433 -6.068 1.00146.96 C ATOM 831 CD2 LEU A 101 34.926 -24.821 -6.236 1.00143.02 C ATOM 832 N PRO A 102 38.300 -22.114 -9.502 1.00148.79 N ATOM 833 CA PRO A 102 39.550 -21.343 -9.433 1.00149.01 C ATOM 834 C PRO A 102 39.472 -19.918 -9.998 1.00145.84 C ATOM 835 O PRO A 102 40.413 -19.131 -9.812 1.00145.10 O ATOM 836 CB PRO A 102 40.551 -22.216 -10.212 1.00146.77 C ATOM 837 CG PRO A 102 39.731 -23.122 -11.005 1.00142.08 C ATOM 838 CD PRO A 102 38.501 -23.386 -10.215 1.00146.98 C ATOM 839 N GLU A 103 38.359 -19.595 -10.652 1.00150.68 N ATOM 840 CA GLU A 103 38.112 -18.227 -11.075 1.00154.18 C ATOM 841 C GLU A 103 37.773 -17.392 -9.845 1.00152.79 C ATOM 842 O GLU A 103 38.634 -16.701 -9.282 1.00148.39 O ATOM 843 CB GLU A 103 36.968 -18.144 -12.095 1.00153.09 C ATOM 844 CG GLU A 103 36.689 -16.715 -12.568 1.00154.43 C ATOM 845 CD GLU A 103 35.554 -16.614 -13.583 1.00162.11 C ATOM 846 OE1 GLU A 103 35.467 -17.457 -14.512 1.00162.63 O ATOM 847 OE2 GLU A 103 34.735 -15.676 -13.447 1.00160.96 O ATOM 848 N TYR A 104 36.506 -17.483 -9.442 1.00150.33 N ATOM 849 CA TYR A 104 35.953 -16.725 -8.338 1.00149.66 C ATOM 850 C TYR A 104 36.535 -17.188 -6.980 1.00153.92 C ATOM 851 O TYR A 104 36.369 -16.512 -5.955 1.00150.51 O ATOM 852 CB TYR A 104 34.416 -16.871 -8.325 1.00149.40 C ATOM 853 CG TYR A 104 33.650 -16.519 -9.601 1.00152.20 C ATOM 854 CD1 TYR A 104 33.261 -17.512 -10.510 1.00153.90 C ATOM 855 CD2 TYR A 104 33.257 -15.203 -9.864 1.00154.12 C ATOM 856 CE1 TYR A 104 32.534 -17.194 -11.670 1.00156.54 C ATOM 857 CE2 TYR A 104 32.548 -14.876 -11.025 1.00155.83 C ATOM 858 CZ TYR A 104 32.181 -15.875 -11.918 1.00157.81 C ATOM 859 OH TYR A 104 31.472 -15.544 -13.058 1.00155.22 O ATOM 860 N MET A 105 37.212 -18.334 -6.957 1.00129.84 N ATOM 861 CA MET A 105 37.750 -18.848 -5.693 1.00122.58 C ATOM 862 C MET A 105 38.584 -17.796 -4.965 1.00123.79 C ATOM 863 O MET A 105 39.495 -17.199 -5.527 1.00126.50 O ATOM 864 CB MET A 105 38.609 -20.097 -5.926 1.00124.32 C ATOM 865 CG MET A 105 38.776 -21.038 -4.720 1.00131.13 C ATOM 866 SD MET A 105 38.655 -20.375 -3.027 1.00122.18 S ATOM 867 CE MET A 105 39.139 -21.816 -2.114 1.00108.77 C ATOM 868 N TRP A 106 38.274 -17.580 -3.698 1.00172.24 N ATOM 869 CA TRP A 106 39.000 -16.591 -2.915 1.00176.11 C ATOM 870 C TRP A 106 40.404 -17.025 -2.476 1.00176.55 C ATOM 871 O TRP A 106 40.587 -17.844 -1.568 1.00171.66 O ATOM 872 CB TRP A 106 38.185 -16.084 -1.734 1.00173.26 C ATOM 873 CG TRP A 106 38.823 -14.892 -1.177 1.00179.51 C ATOM 874 CD1 TRP A 106 39.028 -13.705 -1.818 1.00180.55 C ATOM 875 CD2 TRP A 106 39.379 -14.750 0.139 1.00179.38 C ATOM 876 NE1 TRP A 106 39.669 -12.838 -0.976 1.00187.56 N ATOM 877 CE2 TRP A 106 39.890 -13.447 0.232 1.00181.19 C ATOM 878 CE3 TRP A 106 39.483 -15.600 1.241 1.00179.87 C ATOM 879 CZ2 TRP A 106 40.505 -12.957 1.392 1.00177.50 C ATOM 880 CZ3 TRP A 106 40.091 -15.122 2.395 1.00182.12 C ATOM 881 CH2 TRP A 106 40.603 -13.806 2.461 1.00178.67 C ATOM 882 N LYS A 107 41.385 -16.441 -3.153 1.00167.47 N ATOM 883 CA LYS A 107 42.789 -16.723 -2.940 1.00167.24 C ATOM 884 C LYS A 107 43.406 -15.575 -2.116 1.00168.69 C ATOM 885 O LYS A 107 43.650 -14.482 -2.640 1.00168.34 O ATOM 886 CB LYS A 107 43.450 -16.854 -4.315 1.00166.87 C ATOM 887 CG LYS A 107 42.533 -17.478 -5.389 1.00163.37 C ATOM 888 CD LYS A 107 43.190 -17.425 -6.781 1.00167.67 C ATOM 889 CE LYS A 107 42.290 -18.002 -7.901 1.00160.31 C ATOM 890 NZ LYS A 107 42.080 -19.499 -7.832 1.00158.22 N ATOM 891 N PRO A 108 43.625 -15.811 -0.810 1.00153.64 N ATOM 892 CA PRO A 108 44.248 -14.826 0.091 1.00152.26 C ATOM 893 C PRO A 108 45.774 -14.970 0.176 1.00150.32 C ATOM 894 O PRO A 108 46.408 -14.474 1.120 1.00153.73 O ATOM 895 CB PRO A 108 43.618 -15.148 1.455 1.00151.30 C ATOM 896 CG PRO A 108 43.313 -16.609 1.391 1.00152.60 C ATOM 897 CD PRO A 108 43.076 -16.967 -0.077 1.00153.22 C TER 898 PRO A 108 ATOM 899 O5' DG B 1 31.246 -43.375 27.488 1.00126.46 O ATOM 900 C5' DG B 1 31.481 -44.771 27.461 1.00130.64 C ATOM 901 C4' DG B 1 30.213 -45.484 27.053 1.00133.82 C ATOM 902 O4' DG B 1 29.145 -45.056 27.942 1.00129.23 O ATOM 903 C3' DG B 1 29.744 -45.184 25.637 1.00128.51 C ATOM 904 O3' DG B 1 30.289 -46.096 24.694 1.00126.94 O ATOM 905 C2' DG B 1 28.241 -45.402 25.761 1.00127.01 C ATOM 906 C1' DG B 1 27.955 -44.939 27.184 1.00128.52 C ATOM 907 N9 DG B 1 27.513 -43.555 27.166 1.00123.65 N ATOM 908 C8 DG B 1 28.246 -42.432 27.465 1.00122.43 C ATOM 909 N7 DG B 1 27.545 -41.343 27.330 1.00121.28 N ATOM 910 C5 DG B 1 26.295 -41.775 26.923 1.00121.20 C ATOM 911 C6 DG B 1 25.134 -41.033 26.630 1.00122.00 C ATOM 912 O6 DG B 1 24.994 -39.797 26.682 1.00124.07 O ATOM 913 N1 DG B 1 24.086 -41.877 26.250 1.00119.07 N ATOM 914 C2 DG B 1 24.130 -43.249 26.155 1.00118.09 C ATOM 915 N2 DG B 1 22.996 -43.863 25.766 1.00112.63 N ATOM 916 N3 DG B 1 25.222 -43.949 26.431 1.00120.83 N ATOM 917 C4 DG B 1 26.253 -43.141 26.810 1.00122.06 C ATOM 918 P DC B 2 29.457 -46.468 23.365 1.00149.54 P ATOM 919 OP1 DC B 2 30.216 -47.504 22.615 1.00145.10 O ATOM 920 OP2 DC B 2 29.089 -45.199 22.686 1.00140.52 O ATOM 921 O5' DC B 2 28.134 -47.173 23.938 1.00142.25 O ATOM 922 C5' DC B 2 27.294 -47.883 23.058 1.00140.69 C ATOM 923 C4' DC B 2 25.964 -47.175 22.860 1.00140.07 C ATOM 924 O4' DC B 2 25.835 -46.025 23.730 1.00139.14 O ATOM 925 C3' DC B 2 25.696 -46.585 21.480 1.00132.97 C ATOM 926 O3' DC B 2 25.291 -47.597 20.618 1.00135.81 O ATOM 927 C2' DC B 2 24.514 -45.677 21.723 1.00126.94 C ATOM 928 C1' DC B 2 24.775 -45.262 23.159 1.00134.36 C ATOM 929 N1 DC B 2 25.097 -43.859 23.189 1.00130.91 N ATOM 930 C2 DC B 2 24.153 -42.954 22.699 1.00125.95 C ATOM 931 O2 DC B 2 23.078 -43.367 22.249 1.00120.84 O ATOM 932 N3 DC B 2 24.453 -41.641 22.741 1.00127.07 N ATOM 933 C4 DC B 2 25.627 -41.241 23.234 1.00129.84 C ATOM 934 N4 DC B 2 25.850 -39.922 23.240 1.00130.20 N ATOM 935 C5 DC B 2 26.605 -42.166 23.734 1.00131.29 C ATOM 936 C6 DC B 2 26.300 -43.469 23.695 1.00132.39 C ATOM 937 P DC B 3 26.064 -47.809 19.233 1.00145.18 P ATOM 938 OP1 DC B 3 25.920 -49.235 18.842 1.00134.02 O ATOM 939 OP2 DC B 3 27.411 -47.191 19.373 1.00134.67 O ATOM 940 O5' DC B 3 25.215 -46.911 18.196 1.00135.68 O ATOM 941 C5' DC B 3 23.797 -47.138 18.005 1.00127.88 C ATOM 942 C4' DC B 3 23.003 -45.843 17.906 1.00126.18 C ATOM 943 O4' DC B 3 23.533 -44.884 18.837 1.00128.93 O ATOM 944 C3' DC B 3 23.130 -45.114 16.567 1.00128.27 C ATOM 945 O3' DC B 3 21.985 -45.294 15.747 1.00134.96 O ATOM 946 C2' DC B 3 23.211 -43.643 16.903 1.00125.59 C ATOM 947 C1' DC B 3 23.109 -43.618 18.407 1.00123.98 C ATOM 948 N1 DC B 3 23.986 -42.580 18.974 1.00126.30 N ATOM 949 C2 DC B 3 23.514 -41.263 18.980 1.00126.74 C ATOM 950 O2 DC B 3 22.393 -41.011 18.531 1.00127.28 O ATOM 951 N3 DC B 3 24.295 -40.284 19.492 1.00127.06 N ATOM 952 C4 DC B 3 25.505 -40.576 19.977 1.00128.99 C ATOM 953 N4 DC B 3 26.246 -39.571 20.477 1.00128.38 N ATOM 954 C5 DC B 3 26.009 -41.920 19.973 1.00129.49 C ATOM 955 C6 DC B 3 25.228 -42.888 19.465 1.00129.22 C ATOM 956 P DA B 4 22.071 -45.014 14.158 1.00134.78 P ATOM 957 OP1 DA B 4 22.290 -46.317 13.482 1.00120.57 O ATOM 958 OP2 DA B 4 22.995 -43.868 13.938 1.00124.99 O ATOM 959 O5' DA B 4 20.602 -44.480 13.785 1.00127.19 O ATOM 960 C5' DA B 4 19.870 -43.670 14.699 1.00129.47 C ATOM 961 C4' DA B 4 20.187 -42.186 14.575 1.00127.35 C ATOM 962 O4' DA B 4 21.342 -41.808 15.367 1.00128.80 O ATOM 963 C3' DA B 4 20.498 -41.701 13.169 1.00126.49 C ATOM 964 O3' DA B 4 19.582 -40.663 12.870 1.00130.90 O ATOM 965 C2' DA B 4 21.934 -41.177 13.264 1.00126.67 C ATOM 966 C1' DA B 4 21.915 -40.705 14.706 1.00124.11 C ATOM 967 N9 DA B 4 23.191 -40.358 15.339 1.00120.22 N ATOM 968 C8 DA B 4 24.302 -41.120 15.594 1.00118.50 C ATOM 969 N7 DA B 4 25.266 -40.461 16.196 1.00114.66 N ATOM 970 C5 DA B 4 24.747 -39.181 16.352 1.00118.27 C ATOM 971 C6 DA B 4 25.251 -37.989 16.925 1.00119.95 C ATOM 972 N6 DA B 4 26.463 -37.883 17.467 1.00117.00 N ATOM 973 N1 DA B 4 24.479 -36.887 16.923 1.00119.33 N ATOM 974 C2 DA B 4 23.263 -36.999 16.380 1.00120.68 C ATOM 975 N3 DA B 4 22.672 -38.053 15.814 1.00119.31 N ATOM 976 C4 DA B 4 23.474 -39.118 15.837 1.00117.53 C ATOM 977 P DT B 5 19.160 -40.372 11.338 1.00149.85 P ATOM 978 OP1 DT B 5 17.677 -40.412 11.261 1.00140.34 O ATOM 979 OP2 DT B 5 19.992 -41.238 10.450 1.00135.31 O ATOM 980 O5' DT B 5 19.632 -38.863 11.091 1.00136.32 O ATOM 981 C5' DT B 5 19.085 -37.869 11.928 1.00137.00 C ATOM 982 C4' DT B 5 20.071 -36.736 11.962 1.00133.48 C ATOM 983 O4' DT B 5 21.245 -37.139 12.712 1.00133.68 O ATOM 984 C3' DT B 5 20.579 -36.347 10.573 1.00129.69 C ATOM 985 O3' DT B 5 20.400 -34.968 10.411 1.00133.17 O ATOM 986 C2' DT B 5 22.068 -36.699 10.620 1.00126.06 C ATOM 987 C1' DT B 5 22.280 -36.402 12.104 1.00127.50 C ATOM 988 N1 DT B 5 23.583 -36.782 12.651 1.00122.79 N ATOM 989 C2 DT B 5 24.278 -35.747 13.224 1.00120.44 C ATOM 990 O2 DT B 5 23.856 -34.601 13.291 1.00114.35 O ATOM 991 N3 DT B 5 25.494 -36.108 13.731 1.00119.16 N ATOM 992 C4 DT B 5 26.042 -37.382 13.695 1.00117.59 C ATOM 993 O4 DT B 5 27.144 -37.601 14.178 1.00112.08 O ATOM 994 C5 DT B 5 25.256 -38.418 13.074 1.00118.09 C ATOM 995 C7 DT B 5 25.791 -39.811 13.005 1.00112.17 C ATOM 996 C6 DT B 5 24.067 -38.074 12.577 1.00118.33 C ATOM 997 P DG B 6 19.577 -34.407 9.153 1.00134.54 P ATOM 998 OP1 DG B 6 19.254 -32.986 9.419 1.00122.20 O ATOM 999 OP2 DG B 6 18.498 -35.378 8.852 1.00138.94 O ATOM 1000 O5' DG B 6 20.616 -34.538 7.922 1.00126.22 O ATOM 1001 C5' DG B 6 21.972 -34.130 8.114 1.00124.35 C ATOM 1002 C4' DG B 6 22.023 -32.712 8.639 1.00122.02 C ATOM 1003 O4' DG B 6 22.785 -32.635 9.861 1.00116.76 O ATOM 1004 C3' DG B 6 22.705 -31.757 7.686 1.00121.80 C ATOM 1005 O3' DG B 6 21.960 -30.554 7.745 1.00124.82 O ATOM 1006 C2' DG B 6 24.159 -31.673 8.188 1.00118.53 C ATOM 1007 C1' DG B 6 24.143 -32.393 9.543 1.00113.63 C ATOM 1008 N9 DG B 6 24.867 -33.661 9.680 1.00105.43 N ATOM 1009 C8 DG B 6 24.585 -34.883 9.117 1.00106.83 C ATOM 1010 N7 DG B 6 25.398 -35.837 9.459 1.00107.91 N ATOM 1011 C5 DG B 6 26.269 -35.182 10.320 1.00106.48 C ATOM 1012 C6 DG B 6 27.399 -35.688 10.976 1.00103.46 C ATOM 1013 O6 DG B 6 27.794 -36.842 10.973 1.00 99.24 O ATOM 1014 N1 DG B 6 28.057 -34.766 11.761 1.00104.72 N ATOM 1015 C2 DG B 6 27.668 -33.462 11.862 1.00109.09 C ATOM 1016 N2 DG B 6 28.417 -32.688 12.656 1.00110.65 N ATOM 1017 N3 DG B 6 26.622 -32.932 11.235 1.00110.77 N ATOM 1018 C4 DG B 6 25.984 -33.849 10.457 1.00108.35 C HETATM 1019 OP2 6PO B 7 21.493 -28.094 7.182 1.00132.77 O HETATM 1020 P 6PO B 7 22.631 -29.172 7.299 1.00134.41 P HETATM 1021 OP1 6PO B 7 23.706 -28.783 8.376 1.00123.48 O HETATM 1022 O5' 6PO B 7 23.259 -29.505 5.872 1.00121.96 O HETATM 1023 C5' 6PO B 7 24.579 -29.094 5.597 1.00121.68 C HETATM 1024 C4' 6PO B 7 24.959 -28.340 4.452 1.00118.41 C HETATM 1025 C3' 6PO B 7 26.333 -27.888 4.699 1.00119.19 C HETATM 1026 O3' 6PO B 7 27.120 -28.064 3.585 1.00117.31 O HETATM 1027 C2' 6PO B 7 26.218 -26.460 5.037 1.00119.11 C HETATM 1028 O4' 6PO B 7 24.140 -27.150 4.338 1.00118.69 O HETATM 1029 C1' 6PO B 7 25.000 -26.049 4.301 1.00116.59 C HETATM 1030 N9 6PO B 7 24.378 -24.885 4.884 1.00120.75 N HETATM 1031 C8 6PO B 7 23.239 -24.955 5.617 1.00125.74 C HETATM 1032 N7 6PO B 7 22.825 -23.694 5.926 1.00123.57 N HETATM 1033 C5 6PO B 7 23.736 -22.814 5.369 1.00123.40 C HETATM 1034 C4 6PO B 7 24.724 -23.538 4.710 1.00118.51 C HETATM 1035 C6 6PO B 7 23.803 -21.360 5.374 1.00122.93 C HETATM 1036 N1 6PO B 7 24.824 -20.716 4.741 1.00120.98 N HETATM 1037 C2 6PO B 7 25.770 -21.469 4.113 1.00120.65 C HETATM 1038 N2 6PO B 7 26.849 -20.792 3.465 1.00123.85 N HETATM 1039 N3 6PO B 7 25.739 -22.838 4.080 1.00115.36 N HETATM 1040 O6 6PO B 7 22.758 -20.649 6.014 1.00123.16 O HETATM 1041 C1X 6PO B 7 22.708 -19.238 6.102 1.00127.41 C HETATM 1042 C2X 6PO B 7 21.673 -18.632 7.054 1.00131.87 C HETATM 1043 C3X 6PO B 7 21.109 -17.263 6.704 1.00134.25 C ATOM 1044 P DC B 8 27.798 -29.489 3.279 1.00120.63 P ATOM 1045 OP1 DC B 8 28.464 -29.401 1.954 1.00121.53 O ATOM 1046 OP2 DC B 8 26.784 -30.542 3.508 1.00115.32 O ATOM 1047 O5' DC B 8 28.921 -29.609 4.399 1.00108.90 O ATOM 1048 C5' DC B 8 29.801 -28.534 4.684 1.00106.89 C ATOM 1049 C4' DC B 8 31.175 -29.133 4.762 1.00108.34 C ATOM 1050 O4' DC B 8 31.002 -30.448 5.342 1.00111.64 O ATOM 1051 C3' DC B 8 31.800 -29.337 3.392 1.00109.72 C ATOM 1052 O3' DC B 8 33.094 -28.754 3.267 1.00114.79 O ATOM 1053 C2' DC B 8 31.889 -30.849 3.268 1.00107.35 C ATOM 1054 C1' DC B 8 31.909 -31.312 4.717 1.00109.25 C ATOM 1055 N1 DC B 8 31.452 -32.707 4.861 1.00106.04 N ATOM 1056 C2 DC B 8 32.341 -33.678 5.314 1.00105.08 C ATOM 1057 O2 DC B 8 33.493 -33.374 5.616 1.00104.38 O ATOM 1058 N3 DC B 8 31.931 -34.949 5.422 1.00105.12 N ATOM 1059 C4 DC B 8 30.685 -35.251 5.091 1.00108.23 C ATOM 1060 N4 DC B 8 30.351 -36.533 5.237 1.00115.60 N ATOM 1061 C5 DC B 8 29.749 -34.285 4.624 1.00105.27 C ATOM 1062 C6 DC B 8 30.183 -33.035 4.522 1.00105.22 C ATOM 1063 P DT B 9 33.923 -28.912 1.893 1.00114.18 P ATOM 1064 OP1 DT B 9 34.802 -27.738 1.746 1.00110.57 O ATOM 1065 OP2 DT B 9 32.976 -29.254 0.821 1.00113.23 O ATOM 1066 O5' DT B 9 34.799 -30.210 2.140 1.00113.68 O ATOM 1067 C5' DT B 9 35.452 -30.380 3.360 1.00110.70 C ATOM 1068 C4' DT B 9 36.486 -31.464 3.139 1.00110.86 C ATOM 1069 O4' DT B 9 35.966 -32.804 3.362 1.00105.07 O ATOM 1070 C3' DT B 9 36.958 -31.469 1.701 1.00118.91 C ATOM 1071 O3' DT B 9 38.260 -32.024 1.666 1.00124.39 O ATOM 1072 C2' DT B 9 35.971 -32.437 1.085 1.00113.22 C ATOM 1073 C1' DT B 9 36.019 -33.510 2.149 1.00105.68 C ATOM 1074 N1 DT B 9 34.833 -34.326 2.124 1.00105.42 N ATOM 1075 C2 DT B 9 34.893 -35.595 2.631 1.00109.53 C ATOM 1076 O2 DT B 9 35.885 -36.078 3.132 1.00111.03 O ATOM 1077 N3 DT B 9 33.718 -36.273 2.561 1.00110.72 N ATOM 1078 C4 DT B 9 32.534 -35.808 2.018 1.00110.53 C ATOM 1079 O4 DT B 9 31.539 -36.520 2.004 1.00111.82 O ATOM 1080 C5 DT B 9 32.548 -34.463 1.487 1.00109.14 C ATOM 1081 C7 DT B 9 31.334 -33.840 0.878 1.00107.23 C ATOM 1082 C6 DT B 9 33.692 -33.797 1.569 1.00109.64 C ATOM 1083 P DA B 10 39.281 -31.645 0.476 1.00129.10 P ATOM 1084 OP1 DA B 10 40.075 -30.470 0.919 1.00125.07 O ATOM 1085 OP2 DA B 10 38.509 -31.576 -0.793 1.00115.88 O ATOM 1086 O5' DA B 10 40.229 -32.933 0.396 1.00124.96 O ATOM 1087 C5' DA B 10 40.504 -33.637 1.619 1.00123.56 C ATOM 1088 C4' DA B 10 40.628 -35.133 1.378 1.00128.70 C ATOM 1089 O4' DA B 10 39.309 -35.751 1.447 1.00126.49 O ATOM 1090 C3' DA B 10 41.212 -35.525 0.019 1.00127.45 C ATOM 1091 O3' DA B 10 41.934 -36.775 0.106 1.00131.84 O ATOM 1092 C2' DA B 10 39.941 -35.652 -0.815 1.00119.87 C ATOM 1093 C1' DA B 10 39.090 -36.410 0.197 1.00124.58 C ATOM 1094 N9 DA B 10 37.689 -36.528 -0.225 1.00119.01 N ATOM 1095 C8 DA B 10 36.947 -35.669 -0.989 1.00112.60 C ATOM 1096 N7 DA B 10 35.717 -36.067 -1.206 1.00108.65 N ATOM 1097 C5 DA B 10 35.659 -37.280 -0.548 1.00117.99 C ATOM 1098 C6 DA B 10 34.629 -38.231 -0.383 1.00122.98 C ATOM 1099 N6 DA B 10 33.407 -38.079 -0.909 1.00121.14 N ATOM 1100 N1 DA B 10 34.895 -39.342 0.352 1.00125.27 N ATOM 1101 C2 DA B 10 36.115 -39.486 0.883 1.00123.35 C ATOM 1102 N3 DA B 10 37.162 -38.667 0.795 1.00121.66 N ATOM 1103 C4 DA B 10 36.860 -37.579 0.065 1.00121.43 C ATOM 1104 P DG B 11 43.307 -36.980 -0.720 1.00144.52 P ATOM 1105 OP1 DG B 11 44.449 -36.660 0.182 1.00138.67 O ATOM 1106 OP2 DG B 11 43.140 -36.340 -2.054 1.00133.65 O ATOM 1107 O5' DG B 11 43.346 -38.549 -1.012 1.00143.87 O ATOM 1108 C5' DG B 11 43.127 -39.548 -0.022 1.00135.81 C ATOM 1109 C4' DG B 11 42.008 -40.450 -0.537 1.00141.04 C ATOM 1110 O4' DG B 11 40.853 -39.646 -0.910 1.00138.69 O ATOM 1111 C3' DG B 11 42.318 -41.252 -1.812 1.00144.74 C ATOM 1112 O3' DG B 11 42.521 -42.645 -1.486 1.00147.98 O ATOM 1113 C2' DG B 11 41.104 -41.053 -2.730 1.00137.05 C ATOM 1114 C1' DG B 11 40.080 -40.476 -1.761 1.00133.90 C ATOM 1115 N9 DG B 11 38.965 -39.773 -2.405 1.00126.39 N ATOM 1116 C8 DG B 11 38.958 -38.512 -2.948 1.00122.47 C ATOM 1117 N7 DG B 11 37.812 -38.159 -3.448 1.00121.64 N ATOM 1118 C5 DG B 11 37.011 -39.265 -3.211 1.00124.66 C ATOM 1119 C6 DG B 11 35.657 -39.487 -3.527 1.00129.50 C ATOM 1120 O6 DG B 11 34.884 -38.714 -4.100 1.00131.77 O ATOM 1121 N1 DG B 11 35.198 -40.742 -3.124 1.00130.09 N ATOM 1122 C2 DG B 11 35.979 -41.672 -2.482 1.00128.85 C ATOM 1123 N2 DG B 11 35.395 -42.825 -2.160 1.00131.07 N ATOM 1124 N3 DG B 11 37.255 -41.486 -2.179 1.00125.45 N ATOM 1125 C4 DG B 11 37.694 -40.266 -2.576 1.00125.47 C ATOM 1126 P DT B 12 43.463 -43.574 -2.413 1.00151.22 P ATOM 1127 OP1 DT B 12 44.771 -43.708 -1.718 1.00141.87 O ATOM 1128 OP2 DT B 12 43.387 -43.067 -3.829 1.00140.40 O ATOM 1129 O5' DT B 12 42.697 -44.994 -2.429 1.00142.84 O ATOM 1130 C5' DT B 12 41.341 -45.102 -1.975 1.00139.87 C ATOM 1131 C4' DT B 12 40.332 -45.425 -3.070 1.00136.53 C ATOM 1132 O4' DT B 12 39.508 -44.265 -3.396 1.00130.88 O ATOM 1133 C3' DT B 12 40.858 -45.942 -4.407 1.00143.11 C ATOM 1134 O3' DT B 12 40.179 -47.184 -4.690 1.00144.79 O ATOM 1135 C2' DT B 12 40.473 -44.834 -5.402 1.00137.62 C ATOM 1136 C1' DT B 12 39.138 -44.435 -4.749 1.00133.53 C ATOM 1137 N1 DT B 12 38.463 -43.210 -5.316 1.00130.21 N ATOM 1138 C2 DT B 12 37.121 -43.286 -5.675 1.00129.68 C ATOM 1139 O2 DT B 12 36.419 -44.285 -5.555 1.00131.22 O ATOM 1140 N3 DT B 12 36.597 -42.126 -6.192 1.00127.64 N ATOM 1141 C4 DT B 12 37.253 -40.934 -6.392 1.00126.53 C ATOM 1142 O4 DT B 12 36.681 -39.962 -6.863 1.00125.01 O ATOM 1143 C5 DT B 12 38.645 -40.913 -6.007 1.00124.81 C ATOM 1144 C7 DT B 12 39.433 -39.649 -6.188 1.00114.43 C ATOM 1145 C6 DT B 12 39.183 -42.037 -5.495 1.00127.77 C ATOM 1146 P DA B 13 40.971 -48.402 -5.385 1.00148.95 P ATOM 1147 OP1 DA B 13 40.391 -49.672 -4.882 1.00137.18 O ATOM 1148 OP2 DA B 13 42.429 -48.158 -5.215 1.00143.70 O ATOM 1149 O5' DA B 13 40.642 -48.211 -6.948 1.00147.82 O ATOM 1150 C5' DA B 13 39.477 -47.469 -7.302 1.00145.02 C ATOM 1151 C4' DA B 13 38.224 -48.149 -6.778 1.00143.74 C ATOM 1152 O4' DA B 13 37.163 -47.169 -6.629 1.00139.57 O ATOM 1153 C3' DA B 13 37.612 -49.135 -7.753 1.00140.94 C ATOM 1154 O3' DA B 13 36.556 -49.854 -7.102 1.00142.53 O ATOM 1155 C2' DA B 13 37.092 -48.141 -8.800 1.00137.99 C ATOM 1156 C1' DA B 13 36.579 -46.987 -7.911 1.00137.26 C ATOM 1157 N9 DA B 13 36.883 -45.625 -8.380 1.00134.18 N ATOM 1158 C8 DA B 13 38.115 -45.038 -8.521 1.00130.83 C ATOM 1159 N7 DA B 13 38.099 -43.796 -8.963 1.00126.83 N ATOM 1160 C5 DA B 13 36.748 -43.537 -9.109 1.00130.41 C ATOM 1161 C6 DA B 13 36.042 -42.403 -9.548 1.00130.58 C ATOM 1162 N6 DA B 13 36.658 -41.283 -9.902 1.00130.00 N ATOM 1163 N1 DA B 13 34.696 -42.445 -9.592 1.00130.53 N ATOM 1164 C2 DA B 13 34.094 -43.578 -9.226 1.00132.82 C ATOM 1165 N3 DA B 13 34.645 -44.724 -8.798 1.00134.48 N ATOM 1166 C4 DA B 13 35.989 -44.645 -8.764 1.00133.72 C TER 1167 DA B 13 ATOM 1168 O5' DC C 14 33.164 -33.022 -15.222 1.00124.46 O ATOM 1169 C5' DC C 14 32.119 -33.576 -15.992 1.00123.68 C ATOM 1170 C4' DC C 14 31.661 -34.939 -15.467 1.00128.15 C ATOM 1171 O4' DC C 14 32.668 -35.962 -15.614 1.00124.70 O ATOM 1172 C3' DC C 14 31.269 -35.080 -14.009 1.00126.08 C ATOM 1173 O3' DC C 14 29.943 -34.672 -13.885 1.00128.57 O ATOM 1174 C2' DC C 14 31.306 -36.587 -13.807 1.00123.52 C ATOM 1175 C1' DC C 14 32.256 -37.094 -14.875 1.00121.27 C ATOM 1176 N1 DC C 14 33.463 -37.664 -14.292 1.00115.58 N ATOM 1177 C2 DC C 14 34.517 -36.798 -13.981 1.00119.03 C ATOM 1178 O2 DC C 14 34.418 -35.586 -14.188 1.00120.96 O ATOM 1179 N3 DC C 14 35.648 -37.287 -13.441 1.00116.63 N ATOM 1180 C4 DC C 14 35.720 -38.588 -13.231 1.00117.88 C ATOM 1181 N4 DC C 14 36.858 -39.028 -12.693 1.00119.70 N ATOM 1182 C5 DC C 14 34.656 -39.481 -13.551 1.00115.85 C ATOM 1183 C6 DC C 14 33.550 -38.992 -14.073 1.00112.83 C ATOM 1184 P DT C 15 29.309 -34.481 -12.432 1.00136.74 P ATOM 1185 OP1 DT C 15 28.222 -33.464 -12.538 1.00131.10 O ATOM 1186 OP2 DT C 15 30.431 -34.273 -11.488 1.00133.02 O ATOM 1187 O5' DT C 15 28.699 -35.937 -12.090 1.00132.22 O ATOM 1188 C5' DT C 15 28.072 -36.787 -13.067 1.00133.08 C ATOM 1189 C4' DT C 15 27.936 -38.245 -12.630 1.00133.49 C ATOM 1190 O4' DT C 15 29.220 -38.936 -12.575 1.00129.31 O ATOM 1191 C3' DT C 15 27.292 -38.484 -11.279 1.00133.67 C ATOM 1192 O3' DT C 15 26.597 -39.722 -11.261 1.00135.31 O ATOM 1193 C2' DT C 15 28.538 -38.596 -10.424 1.00132.44 C ATOM 1194 C1' DT C 15 29.389 -39.505 -11.298 1.00127.31 C ATOM 1195 N1 DT C 15 30.804 -39.365 -10.921 1.00124.23 N ATOM 1196 C2 DT C 15 31.584 -40.442 -10.527 1.00125.38 C ATOM 1197 O2 DT C 15 31.219 -41.606 -10.464 1.00129.27 O ATOM 1198 N3 DT C 15 32.869 -40.110 -10.195 1.00122.09 N ATOM 1199 C4 DT C 15 33.444 -38.858 -10.207 1.00122.04 C ATOM 1200 O4 DT C 15 34.611 -38.685 -9.883 1.00122.50 O ATOM 1201 C5 DT C 15 32.574 -37.788 -10.621 1.00121.78 C ATOM 1202 C7 DT C 15 33.078 -36.380 -10.674 1.00123.28 C ATOM 1203 C6 DT C 15 31.314 -38.087 -10.946 1.00122.45 C ATOM 1204 P DA C 16 26.001 -40.296 -9.873 1.00149.69 P ATOM 1205 OP1 DA C 16 24.534 -40.102 -9.894 1.00143.30 O ATOM 1206 OP2 DA C 16 26.763 -39.692 -8.752 1.00136.89 O ATOM 1207 O5' DA C 16 26.342 -41.873 -9.937 1.00149.52 O ATOM 1208 C5' DA C 16 27.694 -42.376 -9.878 1.00142.98 C ATOM 1209 C4' DA C 16 27.840 -43.474 -8.850 1.00140.20 C ATOM 1210 O4' DA C 16 29.183 -43.387 -8.318 1.00135.48 O ATOM 1211 C3' DA C 16 26.925 -43.270 -7.661 1.00139.43 C ATOM 1212 O3' DA C 16 26.876 -44.434 -6.855 1.00139.27 O ATOM 1213 C2' DA C 16 27.689 -42.150 -6.969 1.00138.96 C ATOM 1214 C1' DA C 16 29.122 -42.670 -7.113 1.00138.25 C ATOM 1215 N9 DA C 16 30.109 -41.606 -7.126 1.00132.74 N ATOM 1216 C8 DA C 16 29.915 -40.321 -7.536 1.00129.87 C ATOM 1217 N7 DA C 16 30.977 -39.563 -7.413 1.00127.49 N ATOM 1218 C5 DA C 16 31.920 -40.436 -6.901 1.00129.73 C ATOM 1219 C6 DA C 16 33.261 -40.275 -6.550 1.00131.02 C ATOM 1220 N6 DA C 16 33.861 -39.095 -6.688 1.00130.14 N ATOM 1221 N1 DA C 16 33.940 -41.346 -6.061 1.00130.84 N ATOM 1222 C2 DA C 16 33.302 -42.518 -5.932 1.00131.16 C ATOM 1223 N3 DA C 16 32.041 -42.800 -6.233 1.00133.15 N ATOM 1224 C4 DA C 16 31.414 -41.703 -6.718 1.00132.66 C ATOM 1225 P DC C 17 25.812 -44.524 -5.658 1.00154.84 P ATOM 1226 OP1 DC C 17 24.481 -44.737 -6.273 1.00141.94 O ATOM 1227 OP2 DC C 17 26.068 -43.376 -4.721 1.00148.03 O ATOM 1228 O5' DC C 17 26.277 -45.833 -4.821 1.00151.40 O ATOM 1229 C5' DC C 17 27.537 -46.467 -5.091 1.00145.68 C ATOM 1230 C4' DC C 17 28.632 -46.030 -4.138 1.00140.96 C ATOM 1231 O4' DC C 17 29.163 -44.727 -4.488 1.00139.57 O ATOM 1232 C3' DC C 17 28.284 -45.908 -2.652 1.00135.73 C ATOM 1233 O3' DC C 17 28.498 -47.157 -1.987 1.00145.38 O ATOM 1234 C2' DC C 17 29.275 -44.838 -2.175 1.00136.64 C ATOM 1235 C1' DC C 17 30.069 -44.481 -3.434 1.00135.73 C ATOM 1236 N1 DC C 17 30.520 -43.073 -3.479 1.00132.34 N ATOM 1237 C2 DC C 17 31.835 -42.809 -3.084 1.00130.62 C ATOM 1238 O2 DC C 17 32.545 -43.760 -2.726 1.00132.84 O ATOM 1239 N3 DC C 17 32.287 -41.534 -3.116 1.00128.79 N ATOM 1240 C4 DC C 17 31.454 -40.569 -3.512 1.00131.95 C ATOM 1241 N4 DC C 17 31.937 -39.323 -3.526 1.00132.20 N ATOM 1242 C5 DC C 17 30.098 -40.823 -3.917 1.00133.04 C ATOM 1243 C6 DC C 17 29.666 -42.088 -3.882 1.00132.60 C ATOM 1244 P DT C 18 28.486 -47.254 -0.362 1.00156.43 P ATOM 1245 OP1 DT C 18 28.172 -48.661 0.018 1.00146.94 O ATOM 1246 OP2 DT C 18 27.637 -46.156 0.174 1.00144.43 O ATOM 1247 O5' DT C 18 30.006 -46.942 0.045 1.00148.37 O ATOM 1248 C5' DT C 18 31.091 -47.810 -0.329 1.00145.17 C ATOM 1249 C4' DT C 18 32.313 -47.463 0.514 1.00143.06 C ATOM 1250 O4' DT C 18 32.771 -46.136 0.134 1.00140.21 O ATOM 1251 C3' DT C 18 32.088 -47.399 2.012 1.00137.86 C ATOM 1252 O3' DT C 18 33.217 -47.918 2.656 1.00137.89 O ATOM 1253 C2' DT C 18 31.970 -45.901 2.282 1.00137.00 C ATOM 1254 C1' DT C 18 32.956 -45.335 1.278 1.00137.71 C ATOM 1255 N1 DT C 18 32.619 -43.929 0.925 1.00136.26 N ATOM 1256 C2 DT C 18 33.552 -42.940 1.135 1.00133.42 C ATOM 1257 O2 DT C 18 34.649 -43.192 1.597 1.00134.74 O ATOM 1258 N3 DT C 18 33.138 -41.663 0.789 1.00130.01 N ATOM 1259 C4 DT C 18 31.892 -41.321 0.257 1.00132.84 C ATOM 1260 O4 DT C 18 31.538 -40.183 -0.051 1.00130.27 O ATOM 1261 C5 DT C 18 30.983 -42.412 0.073 1.00135.48 C ATOM 1262 C7 DT C 18 29.629 -42.128 -0.483 1.00134.26 C ATOM 1263 C6 DT C 18 31.374 -43.640 0.407 1.00136.82 C ATOM 1264 P DA C 19 33.248 -48.023 4.269 1.00160.79 P ATOM 1265 OP1 DA C 19 32.969 -49.433 4.647 1.00154.10 O ATOM 1266 OP2 DA C 19 32.357 -46.967 4.825 1.00146.82 O ATOM 1267 O5' DA C 19 34.763 -47.652 4.632 1.00151.19 O ATOM 1268 C5' DA C 19 35.443 -46.718 3.800 1.00142.67 C ATOM 1269 C4' DA C 19 36.224 -45.787 4.696 1.00141.07 C ATOM 1270 O4' DA C 19 36.236 -44.438 4.166 1.00139.57 O ATOM 1271 C3' DA C 19 35.635 -45.597 6.088 1.00144.75 C ATOM 1272 O3' DA C 19 36.570 -44.968 6.956 1.00144.84 O ATOM 1273 C2' DA C 19 34.620 -44.530 5.749 1.00140.02 C ATOM 1274 C1' DA C 19 35.754 -43.647 5.240 1.00138.29 C ATOM 1275 N9 DA C 19 35.402 -42.324 4.772 1.00134.63 N ATOM 1276 C8 DA C 19 36.231 -41.252 4.631 1.00134.48 C ATOM 1277 N7 DA C 19 35.643 -40.172 4.175 1.00133.06 N ATOM 1278 C5 DA C 19 34.337 -40.584 3.990 1.00134.97 C ATOM 1279 C6 DA C 19 33.195 -39.915 3.510 1.00134.88 C ATOM 1280 N6 DA C 19 33.189 -38.639 3.124 1.00127.26 N ATOM 1281 N1 DA C 19 32.045 -40.610 3.460 1.00137.55 N ATOM 1282 C2 DA C 19 32.044 -41.887 3.855 1.00137.57 C ATOM 1283 N3 DA C 19 33.050 -42.628 4.315 1.00134.46 N ATOM 1284 C4 DA C 19 34.177 -41.911 4.350 1.00134.19 C ATOM 1285 P DG C 20 37.943 -45.701 7.344 1.00141.60 P ATOM 1286 OP1 DG C 20 38.631 -46.072 6.071 1.00139.79 O ATOM 1287 OP2 DG C 20 37.630 -46.699 8.403 1.00127.35 O ATOM 1288 O5' DG C 20 38.812 -44.530 8.024 1.00132.17 O ATOM 1289 C5' DG C 20 38.208 -43.665 8.998 1.00134.97 C ATOM 1290 C4' DG C 20 38.263 -42.202 8.591 1.00130.80 C ATOM 1291 O4' DG C 20 37.205 -41.938 7.642 1.00129.76 O ATOM 1292 C3' DG C 20 38.077 -41.220 9.743 1.00128.25 C ATOM 1293 O3' DG C 20 39.252 -40.447 9.947 1.00128.08 O ATOM 1294 C2' DG C 20 36.922 -40.308 9.360 1.00123.25 C ATOM 1295 C1' DG C 20 36.651 -40.661 7.911 1.00124.46 C ATOM 1296 N9 DG C 20 35.220 -40.627 7.601 1.00123.21 N ATOM 1297 C8 DG C 20 34.275 -41.636 7.666 1.00124.67 C ATOM 1298 N7 DG C 20 33.084 -41.249 7.302 1.00122.70 N ATOM 1299 C5 DG C 20 33.263 -39.905 6.995 1.00119.18 C ATOM 1300 C6 DG C 20 32.336 -38.966 6.525 1.00118.50 C ATOM 1301 O6 DG C 20 31.127 -39.160 6.346 1.00118.54 O ATOM 1302 N1 DG C 20 32.920 -37.708 6.333 1.00117.44 N ATOM 1303 C2 DG C 20 34.254 -37.408 6.536 1.00116.13 C ATOM 1304 N2 DG C 20 34.654 -36.150 6.288 1.00110.47 N ATOM 1305 N3 DG C 20 35.145 -38.290 6.966 1.00117.17 N ATOM 1306 C4 DG C 20 34.566 -39.506 7.163 1.00119.42 C ATOM 1307 P DC C 21 39.598 -39.863 11.408 1.00142.17 P ATOM 1308 OP1 DC C 21 40.973 -39.315 11.362 1.00136.65 O ATOM 1309 OP2 DC C 21 39.208 -40.885 12.418 1.00132.65 O ATOM 1310 O5' DC C 21 38.614 -38.615 11.556 1.00134.97 O ATOM 1311 C5' DC C 21 38.937 -37.428 10.836 1.00130.90 C ATOM 1312 C4' DC C 21 37.736 -36.529 10.646 1.00131.11 C ATOM 1313 O4' DC C 21 36.659 -37.282 10.064 1.00130.56 O ATOM 1314 C3' DC C 21 37.100 -36.049 11.942 1.00128.42 C ATOM 1315 O3' DC C 21 37.765 -34.915 12.470 1.00125.73 O ATOM 1316 C2' DC C 21 35.683 -35.678 11.516 1.00124.37 C ATOM 1317 C1' DC C 21 35.491 -36.518 10.271 1.00123.29 C ATOM 1318 N1 DC C 21 34.304 -37.394 10.285 1.00124.54 N ATOM 1319 C2 DC C 21 33.083 -36.805 9.981 1.00122.36 C ATOM 1320 O2 DC C 21 33.066 -35.585 9.762 1.00116.44 O ATOM 1321 N3 DC C 21 31.979 -37.594 9.954 1.00122.68 N ATOM 1322 C4 DC C 21 32.071 -38.904 10.212 1.00122.24 C ATOM 1323 N4 DC C 21 30.951 -39.635 10.177 1.00116.67 N ATOM 1324 C5 DC C 21 33.318 -39.524 10.514 1.00124.31 C ATOM 1325 C6 DC C 21 34.398 -38.732 10.536 1.00125.92 C ATOM 1326 P DC C 22 38.164 -34.882 14.013 1.00112.49 P ATOM 1327 OP1 DC C 22 39.568 -34.454 14.101 1.00108.40 O ATOM 1328 OP2 DC C 22 37.713 -36.151 14.604 1.00108.25 O ATOM 1329 O5' DC C 22 37.255 -33.715 14.611 1.00113.09 O ATOM 1330 C5' DC C 22 36.276 -33.175 13.773 1.00108.72 C ATOM 1331 C4' DC C 22 35.066 -32.668 14.518 1.00108.60 C ATOM 1332 O4' DC C 22 33.878 -33.206 13.898 1.00102.80 O ATOM 1333 C3' DC C 22 34.922 -33.098 15.964 1.00109.78 C ATOM 1334 O3' DC C 22 33.947 -32.264 16.603 1.00106.81 O ATOM 1335 C2' DC C 22 34.396 -34.503 15.703 1.00109.69 C ATOM 1336 C1' DC C 22 33.245 -34.029 14.842 1.00105.73 C ATOM 1337 N1 DC C 22 32.414 -35.079 14.205 1.00101.78 N ATOM 1338 C2 DC C 22 31.279 -34.696 13.493 1.00103.81 C ATOM 1339 O2 DC C 22 31.023 -33.494 13.400 1.00103.97 O ATOM 1340 N3 DC C 22 30.506 -35.647 12.927 1.00105.44 N ATOM 1341 C4 DC C 22 30.838 -36.925 13.067 1.00108.39 C ATOM 1342 N4 DC C 22 30.029 -37.803 12.471 1.00110.40 N ATOM 1343 C5 DC C 22 31.993 -37.340 13.801 1.00107.40 C ATOM 1344 C6 DC C 22 32.746 -36.388 14.355 1.00104.15 C ATOM 1345 P DA C 23 34.099 -31.871 18.153 1.00115.28 P ATOM 1346 OP1 DA C 23 35.356 -31.138 18.311 1.00108.05 O ATOM 1347 OP2 DA C 23 33.878 -33.089 18.955 1.00115.99 O ATOM 1348 O5' DA C 23 32.906 -30.842 18.397 1.00112.97 O ATOM 1349 C5' DA C 23 32.921 -29.575 17.785 1.00113.15 C ATOM 1350 C4' DA C 23 31.477 -29.219 17.489 1.00117.93 C ATOM 1351 O4' DA C 23 30.931 -30.314 16.739 1.00114.24 O ATOM 1352 C3' DA C 23 30.586 -29.063 18.713 1.00119.98 C ATOM 1353 O3' DA C 23 29.818 -27.858 18.648 1.00121.96 O ATOM 1354 C2' DA C 23 29.653 -30.272 18.669 1.00118.78 C ATOM 1355 C1' DA C 23 29.697 -30.758 17.238 1.00113.10 C ATOM 1356 N9 DA C 23 29.794 -32.200 17.092 1.00109.97 N ATOM 1357 C8 DA C 23 30.819 -32.975 17.557 1.00109.81 C ATOM 1358 N7 DA C 23 30.678 -34.245 17.269 1.00108.97 N ATOM 1359 C5 DA C 23 29.494 -34.297 16.551 1.00109.36 C ATOM 1360 C6 DA C 23 28.788 -35.357 15.951 1.00110.00 C ATOM 1361 N6 DA C 23 29.198 -36.621 15.989 1.00108.40 N ATOM 1362 N1 DA C 23 27.639 -35.075 15.307 1.00110.93 N ATOM 1363 C2 DA C 23 27.232 -33.803 15.255 1.00112.52 C ATOM 1364 N3 DA C 23 27.808 -32.729 15.791 1.00110.89 N ATOM 1365 C4 DA C 23 28.940 -33.044 16.425 1.00110.23 C ATOM 1366 P DT C 24 28.795 -27.490 19.837 1.00131.38 P ATOM 1367 OP1 DT C 24 28.398 -26.074 19.686 1.00131.04 O ATOM 1368 OP2 DT C 24 29.367 -27.997 21.107 1.00120.53 O ATOM 1369 O5' DT C 24 27.494 -28.344 19.492 1.00126.26 O ATOM 1370 C5' DT C 24 26.738 -28.057 18.325 1.00124.13 C ATOM 1371 C4' DT C 24 25.437 -28.832 18.352 1.00127.57 C ATOM 1372 O4' DT C 24 25.684 -30.210 17.971 1.00125.88 O ATOM 1373 C3' DT C 24 24.766 -28.879 19.725 1.00134.22 C ATOM 1374 O3' DT C 24 23.366 -28.548 19.591 1.00140.31 O ATOM 1375 C2' DT C 24 25.014 -30.315 20.185 1.00126.53 C ATOM 1376 C1' DT C 24 24.974 -31.053 18.856 1.00129.12 C ATOM 1377 N1 DT C 24 25.581 -32.407 18.882 1.00126.50 N ATOM 1378 C2 DT C 24 24.875 -33.463 18.342 1.00124.43 C ATOM 1379 O2 DT C 24 23.776 -33.332 17.847 1.00123.38 O ATOM 1380 N3 DT C 24 25.512 -34.680 18.389 1.00121.44 N ATOM 1381 C4 DT C 24 26.759 -34.931 18.950 1.00121.37 C ATOM 1382 O4 DT C 24 27.287 -36.041 18.959 1.00119.60 O ATOM 1383 C5 DT C 24 27.449 -33.786 19.479 1.00117.79 C ATOM 1384 C7 DT C 24 28.807 -33.945 20.083 1.00110.29 C ATOM 1385 C6 DT C 24 26.833 -32.600 19.429 1.00120.77 C ATOM 1386 P DG C 25 22.427 -28.404 20.897 1.00134.08 P ATOM 1387 OP1 DG C 25 21.548 -27.216 20.702 1.00130.34 O ATOM 1388 OP2 DG C 25 23.283 -28.571 22.099 1.00117.76 O ATOM 1389 O5' DG C 25 21.490 -29.703 20.823 1.00134.34 O ATOM 1390 C5' DG C 25 20.875 -30.109 19.584 1.00131.62 C ATOM 1391 C4' DG C 25 20.121 -31.422 19.738 1.00133.47 C ATOM 1392 O4' DG C 25 21.057 -32.525 19.576 1.00132.29 O ATOM 1393 C3' DG C 25 19.493 -31.637 21.110 1.00136.56 C ATOM 1394 O3' DG C 25 18.388 -32.510 20.987 1.00140.98 O ATOM 1395 C2' DG C 25 20.597 -32.374 21.840 1.00129.29 C ATOM 1396 C1' DG C 25 20.934 -33.347 20.718 1.00126.91 C ATOM 1397 N9 DG C 25 22.156 -34.078 21.020 1.00122.13 N ATOM 1398 C8 DG C 25 23.201 -33.610 21.778 1.00126.40 C ATOM 1399 N7 DG C 25 24.167 -34.477 21.925 1.00123.07 N ATOM 1400 C5 DG C 25 23.733 -35.582 21.228 1.00117.38 C ATOM 1401 C6 DG C 25 24.365 -36.820 21.049 1.00117.71 C ATOM 1402 O6 DG C 25 25.471 -37.187 21.474 1.00115.83 O ATOM 1403 N1 DG C 25 23.573 -37.666 20.280 1.00119.21 N ATOM 1404 C2 DG C 25 22.334 -37.368 19.760 1.00121.14 C ATOM 1405 N2 DG C 25 21.726 -38.336 19.037 1.00118.71 N ATOM 1406 N3 DG C 25 21.739 -36.194 19.932 1.00120.07 N ATOM 1407 C4 DG C 25 22.493 -35.360 20.676 1.00118.15 C ATOM 1408 P DG C 26 17.198 -32.469 22.071 1.00145.12 P ATOM 1409 OP1 DG C 26 16.674 -31.087 22.122 1.00144.14 O ATOM 1410 OP2 DG C 26 17.704 -33.034 23.344 1.00137.39 O ATOM 1411 O5' DG C 26 16.076 -33.432 21.426 1.00140.78 O ATOM 1412 C5' DG C 26 16.332 -34.352 20.336 1.00136.65 C ATOM 1413 C4' DG C 26 16.468 -35.786 20.856 1.00134.92 C ATOM 1414 O4' DG C 26 17.852 -36.053 21.158 1.00127.66 O ATOM 1415 C3' DG C 26 15.766 -36.154 22.171 1.00135.37 C ATOM 1416 O3' DG C 26 14.678 -37.035 21.917 1.00141.00 O ATOM 1417 C2' DG C 26 16.828 -36.819 23.066 1.00132.22 C ATOM 1418 C1' DG C 26 17.917 -37.133 22.053 1.00126.82 C ATOM 1419 N9 DG C 26 19.257 -37.151 22.618 1.00124.19 N ATOM 1420 C8 DG C 26 19.903 -36.127 23.281 1.00125.63 C ATOM 1421 N7 DG C 26 21.110 -36.443 23.668 1.00119.96 N ATOM 1422 C5 DG C 26 21.256 -37.762 23.239 1.00121.08 C ATOM 1423 C6 DG C 26 22.345 -38.661 23.377 1.00121.75 C ATOM 1424 O6 DG C 26 23.450 -38.476 23.915 1.00119.58 O ATOM 1425 N1 DG C 26 22.073 -39.899 22.795 1.00121.58 N ATOM 1426 C2 DG C 26 20.898 -40.241 22.164 1.00121.07 C ATOM 1427 N2 DG C 26 20.828 -41.495 21.676 1.00117.07 N ATOM 1428 N3 DG C 26 19.862 -39.421 22.034 1.00121.15 N ATOM 1429 C4 DG C 26 20.123 -38.211 22.592 1.00120.73 C TER 1430 DG C 26 HETATM 1431 O HOH C 101 29.923 -42.057 7.191 1.00 88.79 O CONECT 1005 1020 CONECT 1019 1020 CONECT 1020 1005 1019 1021 1022 CONECT 1021 1020 CONECT 1022 1020 1023 CONECT 1023 1022 1024 CONECT 1024 1023 1025 1028 CONECT 1025 1024 1026 1027 CONECT 1026 1025 CONECT 1027 1025 1029 CONECT 1028 1024 1029 CONECT 1029 1027 1028 1030 CONECT 1030 1029 1031 1034 CONECT 1031 1030 1032 CONECT 1032 1031 1033 CONECT 1033 1032 1034 1035 CONECT 1034 1030 1033 1039 CONECT 1035 1033 1036 1040 CONECT 1036 1035 1037 CONECT 1037 1036 1038 1039 CONECT 1038 1037 CONECT 1039 1034 1037 CONECT 1040 1035 1041 CONECT 1041 1040 1042 CONECT 1042 1041 1043 CONECT 1043 1042 MASTER 344 0 1 5 2 0 0 6 1421 3 26 11 END
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Related entries of code: 4enk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4enj
RCSB PDB
PDBbind
13aa, >4ENJ_2|Chain... *
4enn
RCSB PDB
PDBbind
13aa, >4ENN_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4enk
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
S. pombe Atl1
Ligand Name
damaged DNA containing O6-propylguanine, O6-PrG
EC.Number
E.C.-.-.-.-
Resolution
3.04(Å)
Affinity (Kd/Ki/IC50)
Kd=0.07nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Mol.Cell Vol. 47: pp. 50-60
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UTN9
Entrez Gene ID
NCBI Entrez Gene ID:
2541704
ASD
Information of known allosteric effects of PDB entries
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