Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 27-JUL-19 6KKS TITLE STRUCTURAL INSIGHTS INTO TARGET DNA RECOGNITION BY R2R3-TYPE MYB TITLE 2 TRANSCRIPTION FACTOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRANSCRIPTION FACTOR WER; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MYB-RELATED PROTEIN 66,ATMYB66,PROTEIN WEREWOLF; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: DNA (5'- COMPND 8 D(*AP*AP*AP*TP*TP*CP*TP*CP*CP*AP*AP*CP*CP*GP*CP*AP*TP*TP*TP*TP*C)- COMPND 9 3'); COMPND 10 CHAIN: B; COMPND 11 ENGINEERED: YES; COMPND 12 MOL_ID: 3; COMPND 13 MOLECULE: DNA (5'- COMPND 14 D(*CP*GP*AP*AP*AP*AP*TP*GP*CP*GP*GP*TP*TP*GP*GP*AP*GP*AP*AP*TP*T)- COMPND 15 3'); COMPND 16 CHAIN: C; COMPND 17 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: MOUSE-EAR CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: WER; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 MOL_ID: 2; SOURCE 10 SYNTHETIC: YES; SOURCE 11 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 12 ORGANISM_TAXID: 3702; SOURCE 13 MOL_ID: 3; SOURCE 14 SYNTHETIC: YES; SOURCE 15 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 16 ORGANISM_TAXID: 3702 KEYWDS TRANSCRIPTION FACTOR, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR B.WANG,Q.LUO REVDAT 3 22-JAN-20 6KKS 1 JRNL REVDAT 2 04-DEC-19 6KKS 1 JRNL REVDAT 1 13-NOV-19 6KKS 0 JRNL AUTH B.WANG,Q.LUO,Y.LI,L.YIN,N.ZHOU,X.LI,J.GAN,A.DONG JRNL TITL STRUCTURAL INSIGHTS INTO TARGET DNA RECOGNITION BY R2R3-MYB JRNL TITL 2 TRANSCRIPTION FACTORS. JRNL REF NUCLEIC ACIDS RES. V. 48 460 2020 JRNL REFN ESSN 1362-4962 JRNL PMID 31733060 JRNL DOI 10.1093/NAR/GKZ1081 REMARK 2 REMARK 2 RESOLUTION. 2.15 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0135 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.15 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 13289 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.215 REMARK 3 R VALUE (WORKING SET) : 0.214 REMARK 3 FREE R VALUE : 0.246 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.500 REMARK 3 FREE R VALUE TEST SET COUNT : 624 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.15 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.21 REMARK 3 REFLECTION IN BIN (WORKING SET) : 984 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.90 REMARK 3 BIN R VALUE (WORKING SET) : 0.2750 REMARK 3 BIN FREE R VALUE SET COUNT : 36 REMARK 3 BIN FREE R VALUE : 0.3340 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 873 REMARK 3 NUCLEIC ACID ATOMS : 812 REMARK 3 HETEROGEN ATOMS : 1 REMARK 3 SOLVENT ATOMS : 69 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 43.05 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 40.62 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -4.12000 REMARK 3 B22 (A**2) : 2.98000 REMARK 3 B33 (A**2) : 1.14000 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 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.247 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.195 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.142 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.484 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.947 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.930 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1802 ; 0.006 ; 0.015 REMARK 3 BOND LENGTHS OTHERS (A): 1327 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2599 ; 1.149 ; 1.525 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3072 ; 1.197 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 105 ; 5.658 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 42 ;30.965 ;22.381 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 171 ;13.485 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 9 ; 8.850 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 244 ; 0.061 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1461 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 414 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 6KKS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-AUG-19. REMARK 100 THE DEPOSITION ID IS D_1300013188. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 31-MAY-17 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL17U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97915 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XDS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13918 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.150 REMARK 200 RESOLUTION RANGE LOW (A) : 48.364 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 14.24 REMARK 200 R MERGE (I) : 0.10500 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 21.0400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.15 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 14.37 REMARK 200 R MERGE FOR SHELL (I) : 0.93500 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.500 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: 1H8A REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 48.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.41 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES PH 6.0, 30%(V/V) PEG600, REMARK 280 5%(W/V) PEG1000 AND 10%(V/V) GLYCEROL, VAPOR DIFFUSION, SITTING REMARK 280 DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.04200 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 36.97800 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 31.96350 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 36.97800 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.04200 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 31.96350 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4100 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12660 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -35.0 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 12 REMARK 465 ASN A 13 REMARK 465 LEU A 120 REMARK 465 GLY A 121 REMARK 465 ILE A 122 REMARK 465 LYS A 123 REMARK 465 ASP A 124 REMARK 465 GLN A 125 REMARK 465 LYS A 126 REMARK 465 THR A 127 REMARK 465 LYS A 128 REMARK 465 GLN A 129 REMARK 465 SER A 130 REMARK 465 DA B 1 REMARK 465 DA B 2 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASN A 14 CG OD1 ND2 REMARK 470 GLU A 15 CG CD OE1 OE2 REMARK 470 LYS A 27 CE NZ REMARK 470 LYS A 118 CG CD CE NZ REMARK 470 LYS A 119 CG CD CE NZ REMARK 470 DA B 3 P OP1 OP2 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 LYS A 51 56.80 -101.87 REMARK 500 TYR A 64 -51.41 -124.59 REMARK 500 ASN A 91 42.64 -84.84 REMARK 500 ARG A 92 78.73 -102.60 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 201 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ALA A 97 O REMARK 620 2 VAL A 100 O 80.9 REMARK 620 3 ARG A 103 O 107.3 94.2 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 201 DBREF 6KKS A 12 130 UNP Q9SEI0 WER_ARATH 12 130 DBREF 6KKS B 1 21 PDB 6KKS 6KKS 1 21 DBREF 6KKS C 1 21 PDB 6KKS 6KKS 1 21 SEQRES 1 A 119 GLY ASN ASN GLU TYR LYS LYS GLY LEU TRP THR VAL GLU SEQRES 2 A 119 GLU ASP LYS ILE LEU MET ASP TYR VAL LYS ALA HIS GLY SEQRES 3 A 119 LYS GLY HIS TRP ASN ARG ILE ALA LYS LYS THR GLY LEU SEQRES 4 A 119 LYS ARG CYS GLY LYS SER CYS ARG LEU ARG TRP MET ASN SEQRES 5 A 119 TYR LEU SER PRO ASN VAL LYS ARG GLY ASN PHE THR GLU SEQRES 6 A 119 GLN GLU GLU ASP LEU ILE ILE ARG LEU HIS LYS LEU LEU SEQRES 7 A 119 GLY ASN ARG TRP SER LEU ILE ALA LYS ARG VAL PRO GLY SEQRES 8 A 119 ARG THR ASP ASN GLN VAL LYS ASN TYR TRP ASN THR HIS SEQRES 9 A 119 LEU SER LYS LYS LEU GLY ILE LYS ASP GLN LYS THR LYS SEQRES 10 A 119 GLN SER SEQRES 1 B 21 DA DA DA DT DT DC DT DC DC DA DA DC DC SEQRES 2 B 21 DG DC DA DT DT DT DT DC SEQRES 1 C 21 DC DG DA DA DA DA DT DG DC DG DG DT DT SEQRES 2 C 21 DG DG DA DG DA DA DT DT HET MG A 201 1 HETNAM MG MAGNESIUM ION FORMUL 4 MG MG 2+ FORMUL 5 HOH *69(H2 O) HELIX 1 AA1 THR A 22 GLY A 37 1 16 HELIX 2 AA2 ASN A 42 THR A 48 1 7 HELIX 3 AA3 CYS A 53 TYR A 64 1 12 HELIX 4 AA4 THR A 75 GLY A 90 1 16 HELIX 5 AA5 ARG A 92 LYS A 98 1 7 HELIX 6 AA6 THR A 104 LEU A 116 1 13 LINK O ALA A 97 MG MG A 201 1555 1555 2.31 LINK O VAL A 100 MG MG A 201 1555 1555 2.52 LINK O ARG A 103 MG MG A 201 1555 1555 2.18 SITE 1 AC1 6 ALA A 97 VAL A 100 ARG A 103 HOH A 325 SITE 2 AC1 6 HOH A 327 HOH A 328 CRYST1 52.084 63.927 73.956 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.019200 0.000000 0.000000 0.00000 SCALE2 0.000000 0.015643 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013522 0.00000 ATOM 1 N ASN A 14 19.042 14.206 -5.880 1.00 77.13 N ATOM 2 CA ASN A 14 19.655 12.841 -5.926 1.00 74.20 C ATOM 3 C ASN A 14 20.823 12.732 -4.945 1.00 71.95 C ATOM 4 O ASN A 14 21.914 12.288 -5.311 1.00 72.15 O ATOM 5 CB ASN A 14 20.110 12.501 -7.353 1.00 72.60 C ATOM 6 N GLU A 15 20.579 13.147 -3.700 1.00 69.59 N ATOM 7 CA GLU A 15 21.564 13.017 -2.621 1.00 65.95 C ATOM 8 C GLU A 15 21.754 11.555 -2.182 1.00 61.44 C ATOM 9 O GLU A 15 22.809 11.211 -1.640 1.00 64.11 O ATOM 10 CB GLU A 15 21.167 13.878 -1.410 1.00 63.99 C ATOM 11 N TYR A 16 20.743 10.710 -2.409 1.00 55.82 N ATOM 12 CA TYR A 16 20.796 9.295 -2.014 1.00 52.24 C ATOM 13 C TYR A 16 21.869 8.524 -2.775 1.00 48.32 C ATOM 14 O TYR A 16 21.964 8.625 -3.998 1.00 46.67 O ATOM 15 CB TYR A 16 19.445 8.596 -2.240 1.00 52.00 C ATOM 16 CG TYR A 16 18.356 9.000 -1.279 1.00 53.38 C ATOM 17 CD1 TYR A 16 18.480 8.751 0.088 1.00 53.94 C ATOM 18 CD2 TYR A 16 17.190 9.619 -1.733 1.00 54.94 C ATOM 19 CE1 TYR A 16 17.483 9.116 0.977 1.00 55.68 C ATOM 20 CE2 TYR A 16 16.183 9.985 -0.854 1.00 56.07 C ATOM 21 CZ TYR A 16 16.333 9.734 0.498 1.00 57.28 C ATOM 22 OH TYR A 16 15.338 10.099 1.370 1.00 60.41 O ATOM 23 N LYS A 17 22.659 7.751 -2.036 1.00 45.15 N ATOM 24 CA LYS A 17 23.622 6.815 -2.619 1.00 44.42 C ATOM 25 C LYS A 17 22.896 5.644 -3.310 1.00 43.39 C ATOM 26 O LYS A 17 21.838 5.204 -2.856 1.00 42.26 O ATOM 27 CB LYS A 17 24.576 6.308 -1.527 1.00 44.95 C ATOM 28 CG LYS A 17 25.538 5.203 -1.944 1.00 46.45 C ATOM 29 CD LYS A 17 26.829 5.258 -1.132 1.00 47.84 C ATOM 30 CE LYS A 17 27.409 3.883 -0.865 1.00 49.55 C ATOM 31 NZ LYS A 17 27.592 3.059 -2.085 1.00 51.49 N ATOM 32 N LYS A 18 23.467 5.175 -4.418 1.00 40.99 N ATOM 33 CA LYS A 18 22.957 4.016 -5.156 1.00 40.80 C ATOM 34 C LYS A 18 24.072 3.007 -5.361 1.00 38.13 C ATOM 35 O LYS A 18 25.244 3.382 -5.448 1.00 39.91 O ATOM 36 CB LYS A 18 22.421 4.448 -6.522 1.00 42.17 C ATOM 37 CG LYS A 18 21.152 5.282 -6.463 1.00 44.22 C ATOM 38 CD LYS A 18 20.606 5.523 -7.865 1.00 47.99 C ATOM 39 CE LYS A 18 20.003 6.912 -8.020 1.00 50.52 C ATOM 40 NZ LYS A 18 19.013 7.229 -6.955 1.00 52.41 N ATOM 41 N GLY A 19 23.705 1.733 -5.449 1.00 34.81 N ATOM 42 CA GLY A 19 24.659 0.660 -5.741 1.00 34.29 C ATOM 43 C GLY A 19 24.993 -0.188 -4.527 1.00 33.11 C ATOM 44 O GLY A 19 24.206 -0.266 -3.578 1.00 31.22 O ATOM 45 N LEU A 20 26.171 -0.814 -4.566 1.00 32.57 N ATOM 46 CA LEU A 20 26.571 -1.824 -3.585 1.00 32.43 C ATOM 47 C LEU A 20 26.681 -1.264 -2.163 1.00 32.09 C ATOM 48 O LEU A 20 27.274 -0.199 -1.944 1.00 30.28 O ATOM 49 CB LEU A 20 27.891 -2.482 -3.987 1.00 33.26 C ATOM 50 CG LEU A 20 27.841 -3.389 -5.224 1.00 33.75 C ATOM 51 CD1 LEU A 20 29.248 -3.686 -5.727 1.00 34.45 C ATOM 52 CD2 LEU A 20 27.106 -4.692 -4.931 1.00 34.15 C ATOM 53 N TRP A 21 26.074 -1.979 -1.217 1.00 29.86 N ATOM 54 CA TRP A 21 26.131 -1.621 0.198 1.00 28.66 C ATOM 55 C TRP A 21 27.506 -1.924 0.753 1.00 28.69 C ATOM 56 O TRP A 21 28.033 -3.013 0.541 1.00 28.67 O ATOM 57 CB TRP A 21 25.068 -2.374 1.001 1.00 27.68 C ATOM 58 CG TRP A 21 23.728 -1.777 0.832 1.00 26.40 C ATOM 59 CD1 TRP A 21 22.974 -1.768 -0.307 1.00 26.61 C ATOM 60 CD2 TRP A 21 22.980 -1.077 1.814 1.00 26.30 C ATOM 61 NE1 TRP A 21 21.805 -1.098 -0.096 1.00 26.05 N ATOM 62 CE2 TRP A 21 21.772 -0.668 1.202 1.00 26.39 C ATOM 63 CE3 TRP A 21 23.196 -0.770 3.169 1.00 26.17 C ATOM 64 CZ2 TRP A 21 20.793 0.042 1.886 1.00 25.92 C ATOM 65 CZ3 TRP A 21 22.236 -0.056 3.844 1.00 25.60 C ATOM 66 CH2 TRP A 21 21.040 0.347 3.203 1.00 26.43 C ATOM 67 N THR A 22 28.102 -0.962 1.448 1.00 28.35 N ATOM 68 CA THR A 22 29.366 -1.211 2.126 1.00 27.88 C ATOM 69 C THR A 22 29.065 -1.839 3.482 1.00 27.32 C ATOM 70 O THR A 22 27.928 -1.766 3.964 1.00 25.87 O ATOM 71 CB THR A 22 30.185 0.068 2.310 1.00 30.04 C ATOM 72 OG1 THR A 22 29.468 0.983 3.134 1.00 30.67 O ATOM 73 CG2 THR A 22 30.494 0.721 0.947 1.00 30.77 C ATOM 74 N VAL A 23 30.081 -2.457 4.079 1.00 25.84 N ATOM 75 CA VAL A 23 29.975 -2.997 5.435 1.00 27.56 C ATOM 76 C VAL A 23 29.652 -1.915 6.457 1.00 27.22 C ATOM 77 O VAL A 23 28.906 -2.173 7.384 1.00 24.67 O ATOM 78 CB VAL A 23 31.226 -3.807 5.871 1.00 28.89 C ATOM 79 CG1 VAL A 23 32.456 -2.923 6.039 1.00 29.36 C ATOM 80 CG2 VAL A 23 30.944 -4.585 7.161 1.00 29.89 C ATOM 81 N GLU A 24 30.169 -0.699 6.251 1.00 29.00 N ATOM 82 CA GLU A 24 29.828 0.441 7.119 1.00 30.45 C ATOM 83 C GLU A 24 28.336 0.731 7.064 1.00 29.22 C ATOM 84 O GLU A 24 27.709 0.934 8.092 1.00 31.54 O ATOM 85 CB GLU A 24 30.608 1.706 6.739 1.00 32.00 C ATOM 86 CG GLU A 24 32.102 1.628 7.035 1.00 35.56 C ATOM 87 CD GLU A 24 32.937 1.037 5.907 1.00 38.53 C ATOM 88 OE1 GLU A 24 32.386 0.400 4.974 1.00 39.78 O ATOM 89 OE2 GLU A 24 34.167 1.202 5.966 1.00 43.22 O ATOM 90 N GLU A 25 27.762 0.725 5.865 1.00 28.32 N ATOM 91 CA GLU A 25 26.320 0.935 5.717 1.00 26.86 C ATOM 92 C GLU A 25 25.493 -0.205 6.301 1.00 25.02 C ATOM 93 O GLU A 25 24.454 0.030 6.910 1.00 23.25 O ATOM 94 CB GLU A 25 25.949 1.108 4.259 1.00 28.27 C ATOM 95 CG GLU A 25 26.486 2.377 3.618 1.00 30.05 C ATOM 96 CD GLU A 25 26.090 2.445 2.162 1.00 32.03 C ATOM 97 OE1 GLU A 25 26.614 1.638 1.358 1.00 31.50 O ATOM 98 OE2 GLU A 25 25.211 3.269 1.827 1.00 33.50 O ATOM 99 N ASP A 26 25.940 -1.435 6.086 1.00 24.31 N ATOM 100 CA ASP A 26 25.268 -2.605 6.638 1.00 23.75 C ATOM 101 C ASP A 26 25.151 -2.511 8.159 1.00 23.61 C ATOM 102 O ASP A 26 24.101 -2.801 8.716 1.00 23.54 O ATOM 103 CB ASP A 26 26.023 -3.891 6.290 1.00 22.86 C ATOM 104 CG ASP A 26 25.833 -4.335 4.838 1.00 23.40 C ATOM 105 OD1 ASP A 26 24.826 -3.970 4.179 1.00 23.14 O ATOM 106 OD2 ASP A 26 26.714 -5.077 4.353 1.00 22.65 O ATOM 107 N LYS A 27 26.232 -2.110 8.817 1.00 25.64 N ATOM 108 CA LYS A 27 26.272 -2.064 10.285 1.00 26.50 C ATOM 109 C LYS A 27 25.218 -1.077 10.805 1.00 26.34 C ATOM 110 O LYS A 27 24.462 -1.386 11.732 1.00 24.59 O ATOM 111 CB LYS A 27 27.691 -1.701 10.760 1.00 28.26 C ATOM 112 CG LYS A 27 27.869 -1.641 12.274 1.00 29.64 C ATOM 113 CD LYS A 27 29.245 -1.102 12.649 1.00 32.15 C ATOM 114 N ILE A 28 25.133 0.087 10.163 1.00 27.48 N ATOM 115 CA ILE A 28 24.149 1.102 10.551 1.00 28.71 C ATOM 116 C ILE A 28 22.721 0.573 10.379 1.00 27.81 C ATOM 117 O ILE A 28 21.893 0.739 11.271 1.00 25.76 O ATOM 118 CB ILE A 28 24.295 2.416 9.744 1.00 29.43 C ATOM 119 CG1 ILE A 28 25.677 3.051 9.968 1.00 30.33 C ATOM 120 CG2 ILE A 28 23.201 3.405 10.159 1.00 29.95 C ATOM 121 CD1 ILE A 28 26.018 4.153 8.969 1.00 31.05 C ATOM 122 N LEU A 29 22.440 -0.070 9.240 1.00 27.02 N ATOM 123 CA LEU A 29 21.108 -0.647 8.994 1.00 26.97 C ATOM 124 C LEU A 29 20.761 -1.768 9.993 1.00 26.94 C ATOM 125 O LEU A 29 19.648 -1.816 10.533 1.00 25.55 O ATOM 126 CB LEU A 29 20.996 -1.157 7.548 1.00 28.14 C ATOM 127 CG LEU A 29 19.676 -1.812 7.118 1.00 29.65 C ATOM 128 CD1 LEU A 29 18.477 -0.972 7.547 1.00 30.77 C ATOM 129 CD2 LEU A 29 19.641 -2.042 5.610 1.00 28.67 C ATOM 130 N MET A 30 21.716 -2.657 10.225 1.00 27.87 N ATOM 131 CA MET A 30 21.552 -3.769 11.162 1.00 30.75 C ATOM 132 C MET A 30 21.258 -3.260 12.581 1.00 30.24 C ATOM 133 O MET A 30 20.306 -3.712 13.211 1.00 31.15 O ATOM 134 CB MET A 30 22.826 -4.627 11.162 1.00 34.53 C ATOM 135 CG MET A 30 22.828 -5.811 12.121 1.00 39.05 C ATOM 136 SD MET A 30 21.523 -6.983 11.736 1.00 47.08 S ATOM 137 CE MET A 30 22.405 -8.138 10.691 1.00 46.14 C ATOM 138 N ASP A 31 22.079 -2.330 13.061 1.00 28.86 N ATOM 139 CA ASP A 31 21.905 -1.718 14.388 1.00 30.46 C ATOM 140 C ASP A 31 20.546 -1.036 14.555 1.00 31.46 C ATOM 141 O ASP A 31 19.921 -1.166 15.616 1.00 30.01 O ATOM 142 CB ASP A 31 23.015 -0.699 14.676 1.00 29.63 C ATOM 143 CG ASP A 31 24.376 -1.344 14.888 1.00 30.76 C ATOM 144 OD1 ASP A 31 24.453 -2.574 15.097 1.00 30.50 O ATOM 145 OD2 ASP A 31 25.389 -0.612 14.823 1.00 32.33 O ATOM 146 N TYR A 32 20.092 -0.333 13.509 1.00 31.28 N ATOM 147 CA TYR A 32 18.757 0.287 13.523 1.00 33.28 C ATOM 148 C TYR A 32 17.640 -0.755 13.604 1.00 31.85 C ATOM 149 O TYR A 32 16.736 -0.641 14.448 1.00 31.34 O ATOM 150 CB TYR A 32 18.533 1.197 12.303 1.00 35.02 C ATOM 151 CG TYR A 32 17.196 1.926 12.339 1.00 37.54 C ATOM 152 CD1 TYR A 32 16.034 1.330 11.830 1.00 37.37 C ATOM 153 CD2 TYR A 32 17.086 3.206 12.912 1.00 38.44 C ATOM 154 CE1 TYR A 32 14.811 1.987 11.877 1.00 37.98 C ATOM 155 CE2 TYR A 32 15.864 3.866 12.966 1.00 38.71 C ATOM 156 CZ TYR A 32 14.733 3.258 12.444 1.00 39.17 C ATOM 157 OH TYR A 32 13.520 3.911 12.488 1.00 41.70 O ATOM 158 N VAL A 33 17.699 -1.766 12.741 1.00 30.61 N ATOM 159 CA VAL A 33 16.660 -2.796 12.720 1.00 31.30 C ATOM 160 C VAL A 33 16.631 -3.584 14.038 1.00 33.42 C ATOM 161 O VAL A 33 15.544 -3.880 14.544 1.00 33.59 O ATOM 162 CB VAL A 33 16.777 -3.719 11.482 1.00 31.00 C ATOM 163 CG1 VAL A 33 15.863 -4.926 11.596 1.00 31.61 C ATOM 164 CG2 VAL A 33 16.447 -2.932 10.216 1.00 31.35 C ATOM 165 N LYS A 34 17.804 -3.898 14.589 1.00 33.94 N ATOM 166 CA LYS A 34 17.902 -4.550 15.915 1.00 37.54 C ATOM 167 C LYS A 34 17.318 -3.705 17.045 1.00 37.74 C ATOM 168 O LYS A 34 16.664 -4.225 17.940 1.00 38.35 O ATOM 169 CB LYS A 34 19.353 -4.889 16.270 1.00 39.27 C ATOM 170 CG LYS A 34 19.784 -6.295 15.886 1.00 42.79 C ATOM 171 CD LYS A 34 21.281 -6.536 16.100 1.00 45.52 C ATOM 172 CE LYS A 34 21.759 -6.232 17.520 1.00 48.50 C ATOM 173 NZ LYS A 34 20.902 -6.836 18.580 1.00 51.06 N ATOM 174 N ALA A 35 17.592 -2.409 17.013 1.00 39.40 N ATOM 175 CA ALA A 35 17.107 -1.501 18.039 1.00 39.68 C ATOM 176 C ALA A 35 15.593 -1.243 17.913 1.00 41.18 C ATOM 177 O ALA A 35 14.872 -1.302 18.913 1.00 44.09 O ATOM 178 CB ALA A 35 17.886 -0.195 17.983 1.00 39.54 C ATOM 179 N HIS A 36 15.119 -1.004 16.687 1.00 40.23 N ATOM 180 CA HIS A 36 13.770 -0.463 16.437 1.00 39.44 C ATOM 181 C HIS A 36 12.851 -1.334 15.566 1.00 39.56 C ATOM 182 O HIS A 36 11.732 -0.931 15.264 1.00 40.08 O ATOM 183 CB HIS A 36 13.892 0.939 15.817 1.00 41.07 C ATOM 184 CG HIS A 36 14.731 1.883 16.623 1.00 42.47 C ATOM 185 ND1 HIS A 36 15.895 2.442 16.143 1.00 45.07 N ATOM 186 CD2 HIS A 36 14.585 2.349 17.886 1.00 44.31 C ATOM 187 CE1 HIS A 36 16.430 3.214 17.072 1.00 44.82 C ATOM 188 NE2 HIS A 36 15.655 3.172 18.141 1.00 45.88 N ATOM 189 N GLY A 37 13.290 -2.530 15.190 1.00 38.84 N ATOM 190 CA GLY A 37 12.460 -3.428 14.395 1.00 39.35 C ATOM 191 C GLY A 37 12.404 -3.074 12.917 1.00 38.00 C ATOM 192 O GLY A 37 12.939 -2.054 12.475 1.00 37.07 O ATOM 193 N LYS A 38 11.730 -3.935 12.166 1.00 39.12 N ATOM 194 CA LYS A 38 11.598 -3.801 10.718 1.00 40.73 C ATOM 195 C LYS A 38 10.525 -2.772 10.390 1.00 40.40 C ATOM 196 O LYS A 38 9.636 -2.523 11.194 1.00 41.41 O ATOM 197 CB LYS A 38 11.203 -5.132 10.070 1.00 42.89 C ATOM 198 CG LYS A 38 11.961 -6.374 10.539 1.00 45.80 C ATOM 199 CD LYS A 38 11.694 -7.584 9.648 1.00 48.32 C ATOM 200 CE LYS A 38 10.206 -7.861 9.458 1.00 51.52 C ATOM 201 NZ LYS A 38 9.938 -9.138 8.741 1.00 54.32 N ATOM 202 N GLY A 39 10.625 -2.169 9.210 1.00 38.86 N ATOM 203 CA GLY A 39 9.560 -1.318 8.672 1.00 38.00 C ATOM 204 C GLY A 39 9.847 0.144 8.935 1.00 36.50 C ATOM 205 O GLY A 39 10.870 0.478 9.524 1.00 34.43 O ATOM 206 N HIS A 40 8.947 1.015 8.482 1.00 35.77 N ATOM 207 CA HIS A 40 9.178 2.466 8.506 1.00 36.87 C ATOM 208 C HIS A 40 10.559 2.764 7.944 1.00 33.67 C ATOM 209 O HIS A 40 11.355 3.482 8.539 1.00 33.86 O ATOM 210 CB HIS A 40 9.034 3.029 9.924 1.00 40.63 C ATOM 211 CG HIS A 40 7.712 2.733 10.553 1.00 43.36 C ATOM 212 ND1 HIS A 40 6.546 3.349 10.157 1.00 46.76 N ATOM 213 CD2 HIS A 40 7.371 1.888 11.554 1.00 47.50 C ATOM 214 CE1 HIS A 40 5.541 2.893 10.881 1.00 47.78 C ATOM 215 NE2 HIS A 40 6.016 2.007 11.740 1.00 48.93 N ATOM 216 N TRP A 41 10.813 2.192 6.772 1.00 31.51 N ATOM 217 CA TRP A 41 12.132 2.141 6.201 1.00 30.84 C ATOM 218 C TRP A 41 12.618 3.536 5.821 1.00 32.15 C ATOM 219 O TRP A 41 13.814 3.819 5.905 1.00 31.54 O ATOM 220 CB TRP A 41 12.126 1.221 4.983 1.00 30.01 C ATOM 221 CG TRP A 41 11.736 -0.203 5.300 1.00 29.06 C ATOM 222 CD1 TRP A 41 10.542 -0.806 5.038 1.00 29.14 C ATOM 223 CD2 TRP A 41 12.557 -1.190 5.922 1.00 27.48 C ATOM 224 NE1 TRP A 41 10.571 -2.120 5.453 1.00 28.55 N ATOM 225 CE2 TRP A 41 11.800 -2.377 5.998 1.00 28.15 C ATOM 226 CE3 TRP A 41 13.868 -1.190 6.415 1.00 27.74 C ATOM 227 CZ2 TRP A 41 12.307 -3.556 6.553 1.00 28.06 C ATOM 228 CZ3 TRP A 41 14.371 -2.360 6.974 1.00 28.67 C ATOM 229 CH2 TRP A 41 13.583 -3.526 7.042 1.00 27.87 C ATOM 230 N ASN A 42 11.674 4.382 5.407 1.00 32.22 N ATOM 231 CA ASN A 42 11.912 5.804 5.137 1.00 35.40 C ATOM 232 C ASN A 42 12.544 6.575 6.300 1.00 35.49 C ATOM 233 O ASN A 42 13.298 7.515 6.064 1.00 35.62 O ATOM 234 CB ASN A 42 10.594 6.493 4.753 1.00 37.10 C ATOM 235 CG ASN A 42 9.521 6.348 5.837 1.00 40.58 C ATOM 236 OD1 ASN A 42 9.028 5.235 6.106 1.00 39.30 O ATOM 237 ND2 ASN A 42 9.170 7.466 6.482 1.00 40.79 N ATOM 238 N ARG A 43 12.236 6.194 7.541 1.00 36.17 N ATOM 239 CA ARG A 43 12.782 6.904 8.714 1.00 38.13 C ATOM 240 C ARG A 43 14.283 6.741 8.909 1.00 37.59 C ATOM 241 O ARG A 43 14.903 7.595 9.535 1.00 37.19 O ATOM 242 CB ARG A 43 12.111 6.444 10.005 1.00 40.48 C ATOM 243 CG ARG A 43 10.638 6.757 10.126 1.00 42.16 C ATOM 244 CD ARG A 43 10.148 6.358 11.512 1.00 45.85 C ATOM 245 NE ARG A 43 8.708 6.105 11.552 1.00 48.81 N ATOM 246 CZ ARG A 43 8.048 5.586 12.594 1.00 51.56 C ATOM 247 NH1 ARG A 43 8.676 5.256 13.731 1.00 53.88 N ATOM 248 NH2 ARG A 43 6.740 5.399 12.500 1.00 52.13 N ATOM 249 N ILE A 44 14.865 5.657 8.381 1.00 38.18 N ATOM 250 CA ILE A 44 16.246 5.270 8.717 1.00 37.71 C ATOM 251 C ILE A 44 17.262 6.331 8.339 1.00 38.54 C ATOM 252 O ILE A 44 18.109 6.688 9.166 1.00 37.05 O ATOM 253 CB ILE A 44 16.654 3.928 8.068 1.00 39.47 C ATOM 254 CG1 ILE A 44 15.839 2.774 8.669 1.00 39.13 C ATOM 255 CG2 ILE A 44 18.153 3.650 8.260 1.00 39.73 C ATOM 256 CD1 ILE A 44 15.756 1.557 7.781 1.00 38.58 C ATOM 257 N ALA A 45 17.183 6.812 7.096 1.00 39.09 N ATOM 258 CA ALA A 45 18.089 7.859 6.607 1.00 41.26 C ATOM 259 C ALA A 45 18.004 9.123 7.445 1.00 43.50 C ATOM 260 O ALA A 45 19.010 9.795 7.645 1.00 46.20 O ATOM 261 CB ALA A 45 17.804 8.194 5.145 1.00 40.95 C ATOM 262 N LYS A 46 16.800 9.430 7.927 1.00 46.24 N ATOM 263 CA LYS A 46 16.550 10.623 8.730 1.00 48.31 C ATOM 264 C LYS A 46 17.102 10.456 10.146 1.00 47.14 C ATOM 265 O LYS A 46 17.610 11.414 10.721 1.00 50.04 O ATOM 266 CB LYS A 46 15.047 10.940 8.798 1.00 50.76 C ATOM 267 CG LYS A 46 14.296 10.994 7.467 1.00 53.40 C ATOM 268 CD LYS A 46 14.944 11.906 6.422 1.00 56.62 C ATOM 269 CE LYS A 46 15.817 11.154 5.418 1.00 58.89 C ATOM 270 NZ LYS A 46 16.024 11.910 4.149 1.00 59.62 N ATOM 271 N LYS A 47 16.992 9.248 10.700 1.00 45.13 N ATOM 272 CA LYS A 47 17.469 8.954 12.060 1.00 44.46 C ATOM 273 C LYS A 47 18.956 8.594 12.125 1.00 41.64 C ATOM 274 O LYS A 47 19.538 8.630 13.198 1.00 42.42 O ATOM 275 CB LYS A 47 16.668 7.802 12.687 1.00 45.10 C ATOM 276 CG LYS A 47 15.162 7.993 12.728 1.00 46.86 C ATOM 277 CD LYS A 47 14.735 9.054 13.717 1.00 47.25 C ATOM 278 CE LYS A 47 13.217 9.096 13.784 1.00 48.50 C ATOM 279 NZ LYS A 47 12.734 10.087 14.777 1.00 49.03 N ATOM 280 N THR A 48 19.570 8.222 11.003 1.00 41.39 N ATOM 281 CA THR A 48 20.975 7.788 11.003 1.00 39.21 C ATOM 282 C THR A 48 21.765 8.574 9.981 1.00 40.47 C ATOM 283 O THR A 48 21.202 9.350 9.220 1.00 43.03 O ATOM 284 CB THR A 48 21.088 6.292 10.680 1.00 38.11 C ATOM 285 OG1 THR A 48 20.700 6.062 9.320 1.00 36.27 O ATOM 286 CG2 THR A 48 20.196 5.469 11.605 1.00 37.66 C ATOM 287 N GLY A 49 23.068 8.340 9.930 1.00 42.97 N ATOM 288 CA GLY A 49 23.915 8.929 8.883 1.00 46.17 C ATOM 289 C GLY A 49 23.786 8.313 7.490 1.00 48.47 C ATOM 290 O GLY A 49 24.471 8.752 6.551 1.00 49.75 O ATOM 291 N LEU A 50 22.902 7.322 7.338 1.00 45.61 N ATOM 292 CA LEU A 50 22.823 6.518 6.125 1.00 43.55 C ATOM 293 C LEU A 50 22.181 7.332 5.010 1.00 43.12 C ATOM 294 O LEU A 50 21.166 7.981 5.227 1.00 44.28 O ATOM 295 CB LEU A 50 22.003 5.254 6.414 1.00 43.59 C ATOM 296 CG LEU A 50 22.122 4.036 5.520 1.00 44.21 C ATOM 297 CD1 LEU A 50 23.550 3.521 5.484 1.00 44.19 C ATOM 298 CD2 LEU A 50 21.177 2.960 6.035 1.00 44.60 C ATOM 299 N LYS A 51 22.773 7.298 3.822 1.00 43.39 N ATOM 300 CA LYS A 51 22.247 8.039 2.669 1.00 45.11 C ATOM 301 C LYS A 51 21.503 7.095 1.738 1.00 41.67 C ATOM 302 O LYS A 51 21.816 6.988 0.547 1.00 40.76 O ATOM 303 CB LYS A 51 23.386 8.757 1.940 1.00 46.89 C ATOM 304 CG LYS A 51 24.113 9.751 2.829 1.00 51.49 C ATOM 305 CD LYS A 51 24.902 10.765 2.016 1.00 55.40 C ATOM 306 CE LYS A 51 25.866 11.543 2.897 1.00 58.98 C ATOM 307 NZ LYS A 51 26.382 12.761 2.208 1.00 62.97 N ATOM 308 N ARG A 52 20.506 6.417 2.297 1.00 38.62 N ATOM 309 CA ARG A 52 19.764 5.384 1.585 1.00 35.94 C ATOM 310 C ARG A 52 18.268 5.575 1.786 1.00 36.18 C ATOM 311 O ARG A 52 17.815 5.763 2.917 1.00 38.38 O ATOM 312 CB ARG A 52 20.177 4.004 2.091 1.00 34.49 C ATOM 313 CG ARG A 52 21.605 3.608 1.742 1.00 34.25 C ATOM 314 CD ARG A 52 21.778 3.248 0.269 1.00 32.94 C ATOM 315 NE ARG A 52 23.095 2.658 0.036 1.00 33.52 N ATOM 316 CZ ARG A 52 23.466 1.949 -1.039 1.00 33.29 C ATOM 317 NH1 ARG A 52 22.635 1.719 -2.056 1.00 32.81 N ATOM 318 NH2 ARG A 52 24.699 1.455 -1.093 1.00 33.41 N ATOM 319 N CYS A 53 17.498 5.513 0.701 1.00 34.43 N ATOM 320 CA CYS A 53 16.036 5.574 0.804 1.00 34.85 C ATOM 321 C CYS A 53 15.488 4.277 1.412 1.00 33.03 C ATOM 322 O CYS A 53 16.183 3.239 1.452 1.00 31.66 O ATOM 323 CB CYS A 53 15.397 5.827 -0.561 1.00 36.11 C ATOM 324 SG CYS A 53 15.679 4.501 -1.746 1.00 38.54 S ATOM 325 N GLY A 54 14.248 4.352 1.887 1.00 30.00 N ATOM 326 CA GLY A 54 13.589 3.232 2.554 1.00 30.16 C ATOM 327 C GLY A 54 13.528 2.009 1.662 1.00 29.77 C ATOM 328 O GLY A 54 13.772 0.888 2.102 1.00 28.42 O ATOM 329 N LYS A 55 13.262 2.247 0.406 1.00 28.50 N ATOM 330 CA LYS A 55 13.189 1.224 -0.587 1.00 30.03 C ATOM 331 C LYS A 55 14.471 0.419 -0.642 1.00 29.43 C ATOM 332 O LYS A 55 14.430 -0.761 -0.681 1.00 28.68 O ATOM 333 CB LYS A 55 12.968 1.892 -1.913 1.00 32.36 C ATOM 334 CG LYS A 55 12.505 0.999 -3.003 1.00 34.59 C ATOM 335 CD LYS A 55 11.858 1.853 -4.073 1.00 35.25 C ATOM 336 CE LYS A 55 11.332 1.031 -5.203 1.00 35.42 C ATOM 337 NZ LYS A 55 10.726 1.869 -6.233 1.00 35.73 N ATOM 338 N SER A 56 15.598 1.105 -0.648 1.00 27.10 N ATOM 339 CA SER A 56 16.907 0.480 -0.719 1.00 27.11 C ATOM 340 C SER A 56 17.243 -0.257 0.586 1.00 26.17 C ATOM 341 O SER A 56 17.796 -1.356 0.555 1.00 26.81 O ATOM 342 CB SER A 56 17.961 1.532 -1.049 1.00 27.39 C ATOM 343 OG SER A 56 19.231 0.944 -1.183 1.00 27.82 O ATOM 344 N CYS A 57 16.893 0.342 1.719 1.00 25.96 N ATOM 345 CA CYS A 57 17.087 -0.286 3.040 1.00 26.02 C ATOM 346 C CYS A 57 16.272 -1.564 3.183 1.00 26.64 C ATOM 347 O CYS A 57 16.796 -2.606 3.585 1.00 27.30 O ATOM 348 CB CYS A 57 16.671 0.658 4.149 1.00 25.66 C ATOM 349 SG CYS A 57 17.704 2.124 4.278 1.00 26.56 S ATOM 350 N ARG A 58 14.987 -1.468 2.867 1.00 26.67 N ATOM 351 CA ARG A 58 14.101 -2.622 2.912 1.00 28.94 C ATOM 352 C ARG A 58 14.717 -3.798 2.142 1.00 27.96 C ATOM 353 O ARG A 58 14.782 -4.915 2.657 1.00 28.09 O ATOM 354 CB ARG A 58 12.711 -2.273 2.357 1.00 29.60 C ATOM 355 CG ARG A 58 11.750 -3.456 2.313 1.00 29.87 C ATOM 356 CD ARG A 58 10.403 -3.123 1.674 1.00 30.11 C ATOM 357 NE ARG A 58 9.670 -4.365 1.448 1.00 31.15 N ATOM 358 CZ ARG A 58 9.913 -5.224 0.451 1.00 33.66 C ATOM 359 NH1 ARG A 58 10.848 -4.982 -0.475 1.00 34.79 N ATOM 360 NH2 ARG A 58 9.208 -6.341 0.366 1.00 34.82 N ATOM 361 N LEU A 59 15.205 -3.525 0.939 1.00 26.93 N ATOM 362 CA LEU A 59 15.722 -4.577 0.057 1.00 27.92 C ATOM 363 C LEU A 59 16.986 -5.239 0.620 1.00 27.07 C ATOM 364 O LEU A 59 17.090 -6.470 0.649 1.00 24.60 O ATOM 365 CB LEU A 59 15.981 -3.999 -1.334 1.00 28.75 C ATOM 366 CG LEU A 59 15.973 -4.966 -2.504 1.00 32.11 C ATOM 367 CD1 LEU A 59 14.608 -5.650 -2.697 1.00 31.69 C ATOM 368 CD2 LEU A 59 16.372 -4.200 -3.756 1.00 30.47 C ATOM 369 N ARG A 60 17.926 -4.415 1.091 1.00 26.97 N ATOM 370 CA ARG A 60 19.153 -4.908 1.707 1.00 26.41 C ATOM 371 C ARG A 60 18.861 -5.758 2.945 1.00 26.73 C ATOM 372 O ARG A 60 19.455 -6.820 3.123 1.00 25.15 O ATOM 373 CB ARG A 60 20.100 -3.751 2.075 1.00 26.57 C ATOM 374 CG ARG A 60 21.451 -4.188 2.649 1.00 26.44 C ATOM 375 CD ARG A 60 22.188 -5.137 1.709 1.00 26.69 C ATOM 376 NE ARG A 60 23.567 -5.361 2.111 1.00 27.13 N ATOM 377 CZ ARG A 60 24.421 -6.178 1.503 1.00 27.88 C ATOM 378 NH1 ARG A 60 24.066 -6.879 0.413 1.00 27.51 N ATOM 379 NH2 ARG A 60 25.650 -6.291 1.983 1.00 28.95 N ATOM 380 N TRP A 61 17.954 -5.294 3.800 1.00 27.46 N ATOM 381 CA TRP A 61 17.567 -6.101 4.958 1.00 28.44 C ATOM 382 C TRP A 61 17.012 -7.470 4.538 1.00 27.83 C ATOM 383 O TRP A 61 17.455 -8.508 5.027 1.00 24.99 O ATOM 384 CB TRP A 61 16.523 -5.402 5.840 1.00 29.00 C ATOM 385 CG TRP A 61 16.034 -6.345 6.892 1.00 30.12 C ATOM 386 CD1 TRP A 61 14.890 -7.101 6.862 1.00 30.81 C ATOM 387 CD2 TRP A 61 16.718 -6.700 8.087 1.00 31.07 C ATOM 388 NE1 TRP A 61 14.819 -7.885 7.981 1.00 31.61 N ATOM 389 CE2 TRP A 61 15.930 -7.661 8.751 1.00 31.99 C ATOM 390 CE3 TRP A 61 17.915 -6.283 8.675 1.00 32.59 C ATOM 391 CZ2 TRP A 61 16.299 -8.215 9.980 1.00 32.90 C ATOM 392 CZ3 TRP A 61 18.291 -6.841 9.889 1.00 34.12 C ATOM 393 CH2 TRP A 61 17.481 -7.799 10.531 1.00 33.27 C ATOM 394 N MET A 62 16.022 -7.451 3.656 1.00 29.67 N ATOM 395 CA MET A 62 15.257 -8.658 3.327 1.00 32.94 C ATOM 396 C MET A 62 16.114 -9.695 2.619 1.00 31.32 C ATOM 397 O MET A 62 15.959 -10.886 2.861 1.00 30.17 O ATOM 398 CB MET A 62 14.053 -8.320 2.453 1.00 38.36 C ATOM 399 CG MET A 62 13.099 -7.313 3.080 1.00 44.29 C ATOM 400 SD MET A 62 11.807 -8.061 4.053 1.00 56.24 S ATOM 401 CE MET A 62 10.514 -8.076 2.805 1.00 54.71 C ATOM 402 N ASN A 63 17.025 -9.241 1.760 1.00 30.48 N ATOM 403 CA ASN A 63 17.819 -10.147 0.938 1.00 30.98 C ATOM 404 C ASN A 63 19.188 -10.541 1.485 1.00 30.35 C ATOM 405 O ASN A 63 19.686 -11.600 1.113 1.00 29.13 O ATOM 406 CB ASN A 63 17.956 -9.582 -0.478 1.00 32.71 C ATOM 407 CG ASN A 63 16.642 -9.616 -1.233 1.00 34.87 C ATOM 408 OD1 ASN A 63 15.896 -10.599 -1.161 1.00 35.01 O ATOM 409 ND2 ASN A 63 16.343 -8.548 -1.951 1.00 36.52 N ATOM 410 N TYR A 64 19.793 -9.715 2.340 1.00 29.37 N ATOM 411 CA TYR A 64 21.129 -10.025 2.896 1.00 29.45 C ATOM 412 C TYR A 64 21.204 -10.034 4.421 1.00 29.41 C ATOM 413 O TYR A 64 21.727 -10.990 5.004 1.00 29.37 O ATOM 414 CB TYR A 64 22.192 -9.062 2.356 1.00 31.25 C ATOM 415 CG TYR A 64 23.595 -9.346 2.896 1.00 32.86 C ATOM 416 CD1 TYR A 64 24.364 -10.406 2.392 1.00 32.74 C ATOM 417 CD2 TYR A 64 24.143 -8.570 3.922 1.00 32.37 C ATOM 418 CE1 TYR A 64 25.637 -10.678 2.892 1.00 32.34 C ATOM 419 CE2 TYR A 64 25.419 -8.830 4.421 1.00 32.88 C ATOM 420 CZ TYR A 64 26.162 -9.885 3.907 1.00 32.60 C ATOM 421 OH TYR A 64 27.428 -10.129 4.399 1.00 31.15 O ATOM 422 N LEU A 65 20.734 -8.981 5.079 1.00 27.92 N ATOM 423 CA LEU A 65 20.965 -8.886 6.539 1.00 28.86 C ATOM 424 C LEU A 65 20.065 -9.787 7.385 1.00 30.35 C ATOM 425 O LEU A 65 20.450 -10.166 8.478 1.00 30.98 O ATOM 426 CB LEU A 65 20.830 -7.450 7.025 1.00 28.77 C ATOM 427 CG LEU A 65 21.856 -6.442 6.507 1.00 28.63 C ATOM 428 CD1 LEU A 65 21.492 -5.065 7.040 1.00 29.69 C ATOM 429 CD2 LEU A 65 23.280 -6.795 6.908 1.00 29.20 C ATOM 430 N SER A 66 18.872 -10.114 6.891 1.00 30.95 N ATOM 431 CA SER A 66 17.903 -10.897 7.658 1.00 30.82 C ATOM 432 C SER A 66 18.502 -12.244 8.089 1.00 31.39 C ATOM 433 O SER A 66 19.118 -12.932 7.276 1.00 31.32 O ATOM 434 CB SER A 66 16.632 -11.136 6.829 1.00 30.10 C ATOM 435 OG SER A 66 15.794 -12.116 7.419 1.00 29.10 O ATOM 436 N PRO A 67 18.304 -12.636 9.361 1.00 32.54 N ATOM 437 CA PRO A 67 18.853 -13.929 9.799 1.00 35.14 C ATOM 438 C PRO A 67 18.145 -15.155 9.177 1.00 35.86 C ATOM 439 O PRO A 67 18.665 -16.265 9.261 1.00 34.76 O ATOM 440 CB PRO A 67 18.658 -13.890 11.316 1.00 35.02 C ATOM 441 CG PRO A 67 17.437 -13.054 11.503 1.00 35.90 C ATOM 442 CD PRO A 67 17.506 -11.994 10.421 1.00 34.24 C ATOM 443 N ASN A 68 16.993 -14.940 8.542 1.00 35.91 N ATOM 444 CA ASN A 68 16.231 -16.012 7.923 1.00 36.42 C ATOM 445 C ASN A 68 16.663 -16.390 6.502 1.00 36.01 C ATOM 446 O ASN A 68 16.162 -17.377 5.988 1.00 34.71 O ATOM 447 CB ASN A 68 14.748 -15.652 7.944 1.00 38.71 C ATOM 448 CG ASN A 68 14.234 -15.431 9.358 1.00 40.45 C ATOM 449 OD1 ASN A 68 14.529 -16.217 10.264 1.00 42.55 O ATOM 450 ND2 ASN A 68 13.486 -14.357 9.561 1.00 40.40 N ATOM 451 N VAL A 69 17.584 -15.653 5.874 1.00 35.08 N ATOM 452 CA VAL A 69 17.987 -15.977 4.496 1.00 36.92 C ATOM 453 C VAL A 69 19.145 -16.981 4.467 1.00 37.08 C ATOM 454 O VAL A 69 20.153 -16.808 5.168 1.00 36.71 O ATOM 455 CB VAL A 69 18.315 -14.728 3.632 1.00 39.90 C ATOM 456 CG1 VAL A 69 17.273 -13.646 3.847 1.00 41.55 C ATOM 457 CG2 VAL A 69 19.708 -14.182 3.890 1.00 42.05 C ATOM 458 N LYS A 70 18.992 -18.026 3.657 1.00 35.60 N ATOM 459 CA LYS A 70 20.040 -19.027 3.470 1.00 37.55 C ATOM 460 C LYS A 70 21.197 -18.459 2.657 1.00 39.27 C ATOM 461 O LYS A 70 20.994 -17.679 1.732 1.00 41.90 O ATOM 462 CB LYS A 70 19.500 -20.284 2.780 1.00 39.45 C ATOM 463 CG LYS A 70 18.760 -21.223 3.717 1.00 41.20 C ATOM 464 CD LYS A 70 18.228 -22.457 2.999 1.00 44.04 C ATOM 465 CE LYS A 70 17.238 -23.215 3.886 1.00 46.57 C ATOM 466 NZ LYS A 70 16.727 -24.472 3.261 1.00 47.90 N ATOM 467 N ARG A 71 22.401 -18.896 3.003 1.00 40.18 N ATOM 468 CA ARG A 71 23.647 -18.383 2.434 1.00 41.63 C ATOM 469 C ARG A 71 24.270 -19.296 1.373 1.00 39.62 C ATOM 470 O ARG A 71 24.956 -18.817 0.477 1.00 37.25 O ATOM 471 CB ARG A 71 24.662 -18.171 3.562 1.00 43.52 C ATOM 472 CG ARG A 71 24.116 -17.418 4.765 1.00 44.71 C ATOM 473 CD ARG A 71 23.721 -16.006 4.366 1.00 45.53 C ATOM 474 NE ARG A 71 23.074 -15.295 5.463 1.00 47.17 N ATOM 475 CZ ARG A 71 22.775 -14.000 5.454 1.00 46.03 C ATOM 476 NH1 ARG A 71 23.077 -13.238 4.404 1.00 46.53 N ATOM 477 NH2 ARG A 71 22.165 -13.460 6.506 1.00 47.65 N ATOM 478 N GLY A 72 24.049 -20.602 1.476 1.00 38.96 N ATOM 479 CA GLY A 72 24.658 -21.542 0.541 1.00 37.95 C ATOM 480 C GLY A 72 24.142 -21.391 -0.873 1.00 37.92 C ATOM 481 O GLY A 72 23.169 -20.671 -1.132 1.00 35.83 O ATOM 482 N ASN A 73 24.800 -22.094 -1.784 1.00 37.03 N ATOM 483 CA ASN A 73 24.292 -22.275 -3.133 1.00 37.22 C ATOM 484 C ASN A 73 22.996 -23.076 -3.087 1.00 36.27 C ATOM 485 O ASN A 73 22.723 -23.812 -2.126 1.00 34.25 O ATOM 486 CB ASN A 73 25.298 -23.036 -4.000 1.00 39.43 C ATOM 487 CG ASN A 73 26.569 -22.246 -4.264 1.00 41.16 C ATOM 488 OD1 ASN A 73 26.624 -21.032 -4.040 1.00 43.25 O ATOM 489 ND2 ASN A 73 27.604 -22.938 -4.742 1.00 40.47 N ATOM 490 N PHE A 74 22.206 -22.923 -4.140 1.00 34.98 N ATOM 491 CA PHE A 74 20.978 -23.672 -4.292 1.00 34.63 C ATOM 492 C PHE A 74 21.335 -25.148 -4.398 1.00 34.81 C ATOM 493 O PHE A 74 22.300 -25.505 -5.075 1.00 35.91 O ATOM 494 CB PHE A 74 20.179 -23.193 -5.508 1.00 36.65 C ATOM 495 CG PHE A 74 19.398 -21.924 -5.259 1.00 37.23 C ATOM 496 CD1 PHE A 74 20.034 -20.692 -5.220 1.00 37.81 C ATOM 497 CD2 PHE A 74 18.025 -21.962 -5.059 1.00 38.66 C ATOM 498 CE1 PHE A 74 19.315 -19.520 -4.990 1.00 38.40 C ATOM 499 CE2 PHE A 74 17.303 -20.793 -4.828 1.00 38.74 C ATOM 500 CZ PHE A 74 17.947 -19.574 -4.794 1.00 36.94 C ATOM 501 N THR A 75 20.600 -25.985 -3.668 1.00 33.02 N ATOM 502 CA THR A 75 20.789 -27.425 -3.712 1.00 32.80 C ATOM 503 C THR A 75 20.046 -27.973 -4.936 1.00 33.62 C ATOM 504 O THR A 75 19.272 -27.253 -5.588 1.00 32.64 O ATOM 505 CB THR A 75 20.277 -28.101 -2.427 1.00 32.06 C ATOM 506 OG1 THR A 75 18.862 -27.926 -2.324 1.00 31.51 O ATOM 507 CG2 THR A 75 20.953 -27.501 -1.178 1.00 32.91 C ATOM 508 N GLU A 76 20.289 -29.238 -5.258 1.00 34.20 N ATOM 509 CA GLU A 76 19.547 -29.898 -6.337 1.00 35.78 C ATOM 510 C GLU A 76 18.071 -30.039 -5.964 1.00 35.80 C ATOM 511 O GLU A 76 17.209 -29.939 -6.831 1.00 33.98 O ATOM 512 CB GLU A 76 20.139 -31.267 -6.665 1.00 36.30 C ATOM 513 CG GLU A 76 21.519 -31.179 -7.287 1.00 38.15 C ATOM 514 CD GLU A 76 22.109 -32.535 -7.629 1.00 40.61 C ATOM 515 OE1 GLU A 76 21.565 -33.584 -7.193 1.00 41.09 O ATOM 516 OE2 GLU A 76 23.136 -32.547 -8.343 1.00 42.50 O ATOM 517 N GLN A 77 17.789 -30.249 -4.677 1.00 36.20 N ATOM 518 CA GLN A 77 16.404 -30.314 -4.195 1.00 38.39 C ATOM 519 C GLN A 77 15.670 -28.973 -4.320 1.00 36.16 C ATOM 520 O GLN A 77 14.522 -28.947 -4.743 1.00 38.37 O ATOM 521 CB GLN A 77 16.339 -30.846 -2.765 1.00 40.91 C ATOM 522 CG GLN A 77 16.756 -32.312 -2.674 1.00 47.21 C ATOM 523 CD GLN A 77 16.394 -32.962 -1.346 1.00 51.48 C ATOM 524 OE1 GLN A 77 17.268 -33.309 -0.546 1.00 52.55 O ATOM 525 NE2 GLN A 77 15.096 -33.133 -1.109 1.00 54.68 N ATOM 526 N GLU A 78 16.331 -27.873 -3.974 1.00 33.49 N ATOM 527 CA GLU A 78 15.778 -26.533 -4.228 1.00 33.43 C ATOM 528 C GLU A 78 15.525 -26.279 -5.717 1.00 32.68 C ATOM 529 O GLU A 78 14.482 -25.763 -6.085 1.00 32.11 O ATOM 530 CB GLU A 78 16.692 -25.446 -3.661 1.00 32.73 C ATOM 531 CG GLU A 78 16.668 -25.386 -2.136 1.00 33.65 C ATOM 532 CD GLU A 78 17.690 -24.418 -1.580 1.00 33.30 C ATOM 533 OE1 GLU A 78 17.322 -23.558 -0.751 1.00 32.49 O ATOM 534 OE2 GLU A 78 18.864 -24.490 -1.994 1.00 32.13 O ATOM 535 N GLU A 79 16.471 -26.668 -6.563 1.00 34.38 N ATOM 536 CA GLU A 79 16.337 -26.501 -8.013 1.00 35.60 C ATOM 537 C GLU A 79 15.064 -27.186 -8.534 1.00 34.77 C ATOM 538 O GLU A 79 14.283 -26.578 -9.258 1.00 33.12 O ATOM 539 CB GLU A 79 17.586 -27.027 -8.738 1.00 37.99 C ATOM 540 CG GLU A 79 17.439 -27.114 -10.250 1.00 42.44 C ATOM 541 CD GLU A 79 18.705 -27.554 -10.954 1.00 45.94 C ATOM 542 OE1 GLU A 79 18.634 -28.503 -11.768 1.00 48.09 O ATOM 543 OE2 GLU A 79 19.768 -26.954 -10.698 1.00 49.08 O ATOM 544 N ASP A 80 14.865 -28.441 -8.146 1.00 34.18 N ATOM 545 CA ASP A 80 13.696 -29.206 -8.570 1.00 35.38 C ATOM 546 C ASP A 80 12.383 -28.593 -8.070 1.00 32.67 C ATOM 547 O ASP A 80 11.413 -28.533 -8.806 1.00 30.68 O ATOM 548 CB ASP A 80 13.807 -30.666 -8.107 1.00 38.20 C ATOM 549 CG ASP A 80 14.901 -31.447 -8.846 1.00 41.97 C ATOM 550 OD1 ASP A 80 15.282 -31.089 -9.991 1.00 45.17 O ATOM 551 OD2 ASP A 80 15.376 -32.445 -8.273 1.00 45.50 O ATOM 552 N LEU A 81 12.367 -28.162 -6.812 1.00 30.38 N ATOM 553 CA LEU A 81 11.226 -27.458 -6.226 1.00 29.20 C ATOM 554 C LEU A 81 10.887 -26.200 -7.033 1.00 27.70 C ATOM 555 O LEU A 81 9.733 -25.951 -7.345 1.00 27.54 O ATOM 556 CB LEU A 81 11.544 -27.105 -4.768 1.00 28.82 C ATOM 557 CG LEU A 81 10.567 -26.295 -3.914 1.00 29.78 C ATOM 558 CD1 LEU A 81 9.176 -26.925 -3.860 1.00 30.57 C ATOM 559 CD2 LEU A 81 11.143 -26.181 -2.513 1.00 28.38 C ATOM 560 N ILE A 82 11.904 -25.437 -7.398 1.00 28.01 N ATOM 561 CA ILE A 82 11.704 -24.161 -8.109 1.00 29.63 C ATOM 562 C ILE A 82 11.196 -24.390 -9.525 1.00 29.57 C ATOM 563 O ILE A 82 10.310 -23.677 -9.974 1.00 29.57 O ATOM 564 CB ILE A 82 12.988 -23.309 -8.103 1.00 30.05 C ATOM 565 CG1 ILE A 82 13.235 -22.782 -6.680 1.00 31.78 C ATOM 566 CG2 ILE A 82 12.911 -22.139 -9.096 1.00 30.42 C ATOM 567 CD1 ILE A 82 14.656 -22.321 -6.426 1.00 32.76 C ATOM 568 N ILE A 83 11.764 -25.380 -10.216 1.00 30.53 N ATOM 569 CA ILE A 83 11.300 -25.763 -11.558 1.00 30.53 C ATOM 570 C ILE A 83 9.805 -26.077 -11.511 1.00 30.22 C ATOM 571 O ILE A 83 9.048 -25.585 -12.347 1.00 29.16 O ATOM 572 CB ILE A 83 12.086 -26.978 -12.116 1.00 30.15 C ATOM 573 CG1 ILE A 83 13.535 -26.584 -12.432 1.00 30.80 C ATOM 574 CG2 ILE A 83 11.431 -27.541 -13.379 1.00 30.26 C ATOM 575 CD1 ILE A 83 14.501 -27.750 -12.417 1.00 31.80 C ATOM 576 N ARG A 84 9.392 -26.874 -10.521 1.00 31.11 N ATOM 577 CA ARG A 84 7.987 -27.304 -10.394 1.00 31.44 C ATOM 578 C ARG A 84 7.058 -26.186 -9.949 1.00 30.26 C ATOM 579 O ARG A 84 5.936 -26.060 -10.469 1.00 27.18 O ATOM 580 CB ARG A 84 7.875 -28.497 -9.452 1.00 34.28 C ATOM 581 CG ARG A 84 8.545 -29.736 -10.030 1.00 36.08 C ATOM 582 CD ARG A 84 8.033 -31.015 -9.419 1.00 40.35 C ATOM 583 NE ARG A 84 9.011 -31.638 -8.544 1.00 44.01 N ATOM 584 CZ ARG A 84 9.954 -32.504 -8.918 1.00 47.01 C ATOM 585 NH1 ARG A 84 10.101 -32.880 -10.187 1.00 50.79 N ATOM 586 NH2 ARG A 84 10.776 -32.997 -7.994 1.00 48.09 N ATOM 587 N LEU A 85 7.521 -25.365 -9.004 1.00 28.09 N ATOM 588 CA LEU A 85 6.754 -24.194 -8.604 1.00 28.04 C ATOM 589 C LEU A 85 6.571 -23.260 -9.800 1.00 28.45 C ATOM 590 O LEU A 85 5.465 -22.764 -10.033 1.00 27.05 O ATOM 591 CB LEU A 85 7.393 -23.460 -7.416 1.00 26.86 C ATOM 592 CG LEU A 85 7.245 -24.156 -6.050 1.00 27.63 C ATOM 593 CD1 LEU A 85 8.181 -23.547 -5.010 1.00 28.33 C ATOM 594 CD2 LEU A 85 5.811 -24.127 -5.545 1.00 27.35 C ATOM 595 N HIS A 86 7.636 -23.059 -10.574 1.00 30.24 N ATOM 596 CA HIS A 86 7.556 -22.183 -11.752 1.00 33.30 C ATOM 597 C HIS A 86 6.586 -22.705 -12.809 1.00 33.43 C ATOM 598 O HIS A 86 5.850 -21.924 -13.416 1.00 32.41 O ATOM 599 CB HIS A 86 8.923 -21.953 -12.392 1.00 33.72 C ATOM 600 CG HIS A 86 8.908 -20.886 -13.438 1.00 34.88 C ATOM 601 ND1 HIS A 86 8.662 -21.153 -14.768 1.00 36.12 N ATOM 602 CD2 HIS A 86 9.073 -19.545 -13.348 1.00 36.47 C ATOM 603 CE1 HIS A 86 8.691 -20.026 -15.456 1.00 36.47 C ATOM 604 NE2 HIS A 86 8.942 -19.033 -14.618 1.00 37.55 N ATOM 605 N LYS A 87 6.598 -24.018 -13.025 1.00 33.91 N ATOM 606 CA LYS A 87 5.636 -24.668 -13.915 1.00 37.07 C ATOM 607 C LYS A 87 4.207 -24.425 -13.426 1.00 35.76 C ATOM 608 O LYS A 87 3.328 -24.099 -14.208 1.00 35.83 O ATOM 609 CB LYS A 87 5.919 -26.179 -13.999 1.00 40.00 C ATOM 610 CG LYS A 87 5.168 -26.917 -15.097 1.00 44.73 C ATOM 611 CD LYS A 87 5.635 -26.482 -16.482 1.00 48.23 C ATOM 612 CE LYS A 87 5.154 -27.435 -17.565 1.00 50.70 C ATOM 613 NZ LYS A 87 3.670 -27.499 -17.638 1.00 52.49 N ATOM 614 N LEU A 88 3.990 -24.566 -12.124 1.00 33.70 N ATOM 615 CA LEU A 88 2.681 -24.328 -11.534 1.00 34.38 C ATOM 616 C LEU A 88 2.254 -22.864 -11.587 1.00 35.89 C ATOM 617 O LEU A 88 1.082 -22.575 -11.856 1.00 35.34 O ATOM 618 CB LEU A 88 2.675 -24.814 -10.083 1.00 36.23 C ATOM 619 CG LEU A 88 1.355 -24.761 -9.313 1.00 37.55 C ATOM 620 CD1 LEU A 88 0.320 -25.683 -9.959 1.00 38.84 C ATOM 621 CD2 LEU A 88 1.598 -25.140 -7.862 1.00 36.96 C ATOM 622 N LEU A 89 3.200 -21.950 -11.346 1.00 35.74 N ATOM 623 CA LEU A 89 2.884 -20.550 -11.042 1.00 34.14 C ATOM 624 C LEU A 89 3.379 -19.480 -12.020 1.00 34.12 C ATOM 625 O LEU A 89 2.991 -18.318 -11.871 1.00 32.08 O ATOM 626 CB LEU A 89 3.430 -20.197 -9.650 1.00 34.12 C ATOM 627 CG LEU A 89 2.994 -21.058 -8.465 1.00 34.89 C ATOM 628 CD1 LEU A 89 3.742 -20.640 -7.202 1.00 35.18 C ATOM 629 CD2 LEU A 89 1.488 -20.974 -8.253 1.00 35.18 C ATOM 630 N GLY A 90 4.229 -19.826 -12.988 1.00 32.24 N ATOM 631 CA GLY A 90 4.845 -18.802 -13.848 1.00 33.14 C ATOM 632 C GLY A 90 5.819 -17.881 -13.092 1.00 34.14 C ATOM 633 O GLY A 90 6.410 -18.277 -12.081 1.00 33.11 O ATOM 634 N ASN A 91 5.958 -16.647 -13.566 1.00 33.69 N ATOM 635 CA ASN A 91 6.965 -15.689 -13.065 1.00 34.34 C ATOM 636 C ASN A 91 6.490 -14.913 -11.818 1.00 31.83 C ATOM 637 O ASN A 91 6.724 -13.706 -11.694 1.00 31.61 O ATOM 638 CB ASN A 91 7.358 -14.695 -14.183 1.00 34.15 C ATOM 639 CG ASN A 91 8.197 -15.327 -15.286 1.00 37.28 C ATOM 640 OD1 ASN A 91 8.486 -16.524 -15.285 1.00 37.91 O ATOM 641 ND2 ASN A 91 8.617 -14.498 -16.234 1.00 40.12 N ATOM 642 N ARG A 92 5.855 -15.622 -10.889 1.00 31.76 N ATOM 643 CA ARG A 92 5.319 -15.038 -9.668 1.00 33.11 C ATOM 644 C ARG A 92 6.275 -15.378 -8.526 1.00 30.22 C ATOM 645 O ARG A 92 6.036 -16.287 -7.725 1.00 28.33 O ATOM 646 CB ARG A 92 3.889 -15.541 -9.437 1.00 36.59 C ATOM 647 CG ARG A 92 2.945 -15.123 -10.565 1.00 40.00 C ATOM 648 CD ARG A 92 1.485 -15.061 -10.144 1.00 45.60 C ATOM 649 NE ARG A 92 0.829 -16.368 -10.173 1.00 49.89 N ATOM 650 CZ ARG A 92 0.231 -16.926 -11.233 1.00 55.82 C ATOM 651 NH1 ARG A 92 0.184 -16.314 -12.424 1.00 57.83 N ATOM 652 NH2 ARG A 92 -0.327 -18.130 -11.101 1.00 56.80 N ATOM 653 N TRP A 93 7.367 -14.620 -8.475 1.00 29.41 N ATOM 654 CA TRP A 93 8.544 -14.973 -7.673 1.00 27.85 C ATOM 655 C TRP A 93 8.289 -14.934 -6.170 1.00 28.47 C ATOM 656 O TRP A 93 8.756 -15.831 -5.456 1.00 26.17 O ATOM 657 CB TRP A 93 9.740 -14.082 -8.036 1.00 28.37 C ATOM 658 CG TRP A 93 10.027 -14.059 -9.522 1.00 28.02 C ATOM 659 CD1 TRP A 93 9.896 -12.989 -10.359 1.00 29.06 C ATOM 660 CD2 TRP A 93 10.453 -15.156 -10.337 1.00 27.67 C ATOM 661 NE1 TRP A 93 10.231 -13.343 -11.647 1.00 29.13 N ATOM 662 CE2 TRP A 93 10.575 -14.671 -11.661 1.00 28.07 C ATOM 663 CE3 TRP A 93 10.748 -16.503 -10.078 1.00 28.55 C ATOM 664 CZ2 TRP A 93 10.986 -15.484 -12.723 1.00 27.93 C ATOM 665 CZ3 TRP A 93 11.163 -17.316 -11.137 1.00 29.28 C ATOM 666 CH2 TRP A 93 11.276 -16.797 -12.446 1.00 29.45 C ATOM 667 N SER A 94 7.542 -13.931 -5.686 1.00 29.89 N ATOM 668 CA SER A 94 7.193 -13.874 -4.250 1.00 31.26 C ATOM 669 C SER A 94 6.283 -15.035 -3.847 1.00 31.06 C ATOM 670 O SER A 94 6.418 -15.590 -2.750 1.00 29.97 O ATOM 671 CB SER A 94 6.578 -12.528 -3.864 1.00 34.06 C ATOM 672 OG SER A 94 5.484 -12.192 -4.684 1.00 37.61 O ATOM 673 N LEU A 95 5.400 -15.437 -4.758 1.00 31.34 N ATOM 674 CA LEU A 95 4.537 -16.582 -4.526 1.00 32.44 C ATOM 675 C LEU A 95 5.339 -17.881 -4.537 1.00 30.40 C ATOM 676 O LEU A 95 5.115 -18.748 -3.700 1.00 28.85 O ATOM 677 CB LEU A 95 3.402 -16.615 -5.560 1.00 35.70 C ATOM 678 CG LEU A 95 2.103 -17.314 -5.181 1.00 37.91 C ATOM 679 CD1 LEU A 95 1.557 -16.797 -3.847 1.00 38.52 C ATOM 680 CD2 LEU A 95 1.092 -17.113 -6.307 1.00 37.58 C ATOM 681 N ILE A 96 6.287 -17.997 -5.468 1.00 28.89 N ATOM 682 CA ILE A 96 7.215 -19.124 -5.476 1.00 27.26 C ATOM 683 C ILE A 96 8.096 -19.139 -4.213 1.00 26.46 C ATOM 684 O ILE A 96 8.229 -20.179 -3.564 1.00 24.45 O ATOM 685 CB ILE A 96 8.136 -19.144 -6.725 1.00 26.70 C ATOM 686 CG1 ILE A 96 7.327 -19.395 -8.000 1.00 26.15 C ATOM 687 CG2 ILE A 96 9.206 -20.239 -6.592 1.00 26.23 C ATOM 688 CD1 ILE A 96 8.111 -19.113 -9.262 1.00 25.67 C ATOM 689 N ALA A 97 8.705 -18.000 -3.881 1.00 26.57 N ATOM 690 CA ALA A 97 9.627 -17.933 -2.749 1.00 27.01 C ATOM 691 C ALA A 97 8.973 -18.319 -1.411 1.00 27.41 C ATOM 692 O ALA A 97 9.648 -18.870 -0.545 1.00 26.47 O ATOM 693 CB ALA A 97 10.271 -16.563 -2.652 1.00 27.16 C ATOM 694 N LYS A 98 7.673 -18.064 -1.260 1.00 29.91 N ATOM 695 CA LYS A 98 6.930 -18.467 -0.057 1.00 32.25 C ATOM 696 C LYS A 98 7.029 -19.951 0.250 1.00 30.84 C ATOM 697 O LYS A 98 6.910 -20.329 1.402 1.00 31.25 O ATOM 698 CB LYS A 98 5.448 -18.062 -0.140 1.00 35.72 C ATOM 699 CG LYS A 98 5.194 -16.673 0.401 1.00 41.21 C ATOM 700 CD LYS A 98 3.811 -16.131 0.056 1.00 47.68 C ATOM 701 CE LYS A 98 3.723 -14.635 0.376 1.00 50.84 C ATOM 702 NZ LYS A 98 2.452 -14.018 -0.100 1.00 54.28 N ATOM 703 N ARG A 99 7.237 -20.785 -0.772 1.00 29.47 N ATOM 704 CA ARG A 99 7.360 -22.231 -0.591 1.00 28.74 C ATOM 705 C ARG A 99 8.799 -22.739 -0.742 1.00 27.73 C ATOM 706 O ARG A 99 9.012 -23.924 -0.902 1.00 28.71 O ATOM 707 CB ARG A 99 6.405 -22.935 -1.568 1.00 28.94 C ATOM 708 CG ARG A 99 4.938 -22.614 -1.287 1.00 29.45 C ATOM 709 CD ARG A 99 4.001 -23.166 -2.347 1.00 29.69 C ATOM 710 NE ARG A 99 3.839 -24.616 -2.238 1.00 28.95 N ATOM 711 CZ ARG A 99 3.043 -25.355 -3.009 1.00 28.61 C ATOM 712 NH1 ARG A 99 2.316 -24.793 -3.983 1.00 28.61 N ATOM 713 NH2 ARG A 99 2.975 -26.672 -2.809 1.00 27.84 N ATOM 714 N VAL A 100 9.779 -21.839 -0.718 1.00 28.29 N ATOM 715 CA VAL A 100 11.196 -22.207 -0.728 1.00 27.81 C ATOM 716 C VAL A 100 11.784 -21.634 0.567 1.00 27.64 C ATOM 717 O VAL A 100 12.096 -20.446 0.628 1.00 27.31 O ATOM 718 CB VAL A 100 11.913 -21.668 -1.988 1.00 28.69 C ATOM 719 CG1 VAL A 100 13.331 -22.219 -2.088 1.00 29.15 C ATOM 720 CG2 VAL A 100 11.130 -22.041 -3.246 1.00 28.61 C ATOM 721 N PRO A 101 11.899 -22.467 1.626 1.00 29.30 N ATOM 722 CA PRO A 101 12.388 -21.985 2.933 1.00 29.72 C ATOM 723 C PRO A 101 13.741 -21.287 2.842 1.00 28.66 C ATOM 724 O PRO A 101 14.656 -21.798 2.203 1.00 28.05 O ATOM 725 CB PRO A 101 12.513 -23.272 3.761 1.00 31.47 C ATOM 726 CG PRO A 101 11.584 -24.240 3.122 1.00 31.64 C ATOM 727 CD PRO A 101 11.517 -23.891 1.669 1.00 30.44 C ATOM 728 N GLY A 102 13.853 -20.105 3.433 1.00 29.77 N ATOM 729 CA GLY A 102 15.112 -19.361 3.449 1.00 30.25 C ATOM 730 C GLY A 102 15.596 -18.723 2.148 1.00 30.54 C ATOM 731 O GLY A 102 16.702 -18.176 2.126 1.00 31.22 O ATOM 732 N ARG A 103 14.795 -18.762 1.077 1.00 29.28 N ATOM 733 CA ARG A 103 15.106 -18.038 -0.164 1.00 29.42 C ATOM 734 C ARG A 103 14.049 -16.966 -0.445 1.00 30.73 C ATOM 735 O ARG A 103 12.838 -17.189 -0.253 1.00 29.92 O ATOM 736 CB ARG A 103 15.187 -18.995 -1.365 1.00 29.63 C ATOM 737 CG ARG A 103 16.048 -20.224 -1.148 1.00 29.27 C ATOM 738 CD ARG A 103 17.502 -19.868 -0.850 1.00 28.59 C ATOM 739 NE ARG A 103 18.347 -21.047 -0.947 1.00 29.25 N ATOM 740 CZ ARG A 103 19.682 -21.047 -0.916 1.00 29.68 C ATOM 741 NH1 ARG A 103 20.374 -19.920 -0.764 1.00 29.57 N ATOM 742 NH2 ARG A 103 20.333 -22.198 -1.022 1.00 28.93 N ATOM 743 N THR A 104 14.517 -15.814 -0.915 1.00 28.73 N ATOM 744 CA THR A 104 13.665 -14.693 -1.240 1.00 28.84 C ATOM 745 C THR A 104 13.242 -14.759 -2.694 1.00 28.61 C ATOM 746 O THR A 104 13.823 -15.515 -3.481 1.00 27.91 O ATOM 747 CB THR A 104 14.423 -13.374 -1.031 1.00 29.37 C ATOM 748 OG1 THR A 104 15.576 -13.348 -1.883 1.00 28.39 O ATOM 749 CG2 THR A 104 14.865 -13.252 0.418 1.00 29.77 C ATOM 750 N ASP A 105 12.236 -13.958 -3.034 1.00 29.10 N ATOM 751 CA ASP A 105 11.805 -13.769 -4.431 1.00 30.97 C ATOM 752 C ASP A 105 12.968 -13.461 -5.367 1.00 29.39 C ATOM 753 O ASP A 105 13.060 -14.045 -6.442 1.00 28.82 O ATOM 754 CB ASP A 105 10.710 -12.688 -4.565 1.00 32.67 C ATOM 755 CG ASP A 105 11.143 -11.321 -4.047 1.00 37.30 C ATOM 756 OD1 ASP A 105 12.027 -11.264 -3.156 1.00 36.65 O ATOM 757 OD2 ASP A 105 10.586 -10.303 -4.534 1.00 40.90 O ATOM 758 N ASN A 106 13.867 -12.577 -4.931 1.00 29.56 N ATOM 759 CA ASN A 106 14.968 -12.094 -5.763 1.00 29.55 C ATOM 760 C ASN A 106 15.992 -13.199 -6.023 1.00 28.81 C ATOM 761 O ASN A 106 16.476 -13.345 -7.147 1.00 29.11 O ATOM 762 CB ASN A 106 15.643 -10.872 -5.125 1.00 29.38 C ATOM 763 CG ASN A 106 16.456 -10.059 -6.121 1.00 29.24 C ATOM 764 OD1 ASN A 106 15.972 -9.710 -7.195 1.00 28.30 O ATOM 765 ND2 ASN A 106 17.687 -9.722 -5.753 1.00 30.22 N ATOM 766 N GLN A 107 16.291 -13.987 -4.996 1.00 29.05 N ATOM 767 CA GLN A 107 17.160 -15.156 -5.137 1.00 29.55 C ATOM 768 C GLN A 107 16.594 -16.186 -6.118 1.00 29.04 C ATOM 769 O GLN A 107 17.314 -16.684 -6.980 1.00 28.99 O ATOM 770 CB GLN A 107 17.395 -15.832 -3.787 1.00 31.76 C ATOM 771 CG GLN A 107 18.271 -15.070 -2.798 1.00 33.55 C ATOM 772 CD GLN A 107 18.235 -15.726 -1.425 1.00 36.04 C ATOM 773 OE1 GLN A 107 17.257 -15.586 -0.713 1.00 37.78 O ATOM 774 NE2 GLN A 107 19.286 -16.480 -1.065 1.00 37.83 N ATOM 775 N VAL A 108 15.310 -16.500 -5.980 1.00 28.20 N ATOM 776 CA VAL A 108 14.679 -17.516 -6.818 1.00 29.21 C ATOM 777 C VAL A 108 14.630 -17.037 -8.283 1.00 28.43 C ATOM 778 O VAL A 108 14.990 -17.777 -9.202 1.00 29.56 O ATOM 779 CB VAL A 108 13.294 -17.926 -6.277 1.00 29.36 C ATOM 780 CG1 VAL A 108 12.623 -18.911 -7.214 1.00 30.99 C ATOM 781 CG2 VAL A 108 13.429 -18.563 -4.896 1.00 30.06 C ATOM 782 N LYS A 109 14.230 -15.790 -8.481 1.00 28.03 N ATOM 783 CA LYS A 109 14.276 -15.132 -9.792 1.00 28.24 C ATOM 784 C LYS A 109 15.663 -15.176 -10.449 1.00 28.24 C ATOM 785 O LYS A 109 15.779 -15.561 -11.614 1.00 28.93 O ATOM 786 CB LYS A 109 13.803 -13.681 -9.646 1.00 27.87 C ATOM 787 CG LYS A 109 13.835 -12.859 -10.924 1.00 28.60 C ATOM 788 CD LYS A 109 13.319 -11.456 -10.680 1.00 29.71 C ATOM 789 CE LYS A 109 14.306 -10.619 -9.878 1.00 30.20 C ATOM 790 NZ LYS A 109 13.709 -9.308 -9.536 1.00 31.93 N ATOM 791 N ASN A 110 16.700 -14.801 -9.719 1.00 28.56 N ATOM 792 CA ASN A 110 18.066 -14.847 -10.218 1.00 29.28 C ATOM 793 C ASN A 110 18.488 -16.285 -10.558 1.00 30.51 C ATOM 794 O ASN A 110 19.068 -16.519 -11.567 1.00 29.12 O ATOM 795 CB ASN A 110 19.050 -14.266 -9.217 1.00 29.81 C ATOM 796 CG ASN A 110 19.065 -12.761 -9.186 1.00 29.49 C ATOM 797 OD1 ASN A 110 18.827 -12.108 -10.146 1.00 29.51 O ATOM 798 ND2 ASN A 110 19.385 -12.229 -8.065 1.00 30.96 N ATOM 799 N TYR A 111 18.169 -17.241 -9.708 1.00 31.75 N ATOM 800 CA TYR A 111 18.518 -18.624 -9.984 1.00 33.95 C ATOM 801 C TYR A 111 17.847 -19.098 -11.266 1.00 33.88 C ATOM 802 O TYR A 111 18.499 -19.729 -12.098 1.00 30.91 O ATOM 803 CB TYR A 111 18.149 -19.555 -8.843 1.00 36.98 C ATOM 804 CG TYR A 111 18.716 -20.941 -9.052 1.00 40.64 C ATOM 805 CD1 TYR A 111 20.072 -21.190 -8.854 1.00 42.67 C ATOM 806 CD2 TYR A 111 17.909 -21.994 -9.468 1.00 42.08 C ATOM 807 CE1 TYR A 111 20.607 -22.450 -9.051 1.00 43.97 C ATOM 808 CE2 TYR A 111 18.437 -23.260 -9.660 1.00 44.67 C ATOM 809 CZ TYR A 111 19.784 -23.479 -9.446 1.00 44.75 C ATOM 810 OH TYR A 111 20.316 -24.730 -9.625 1.00 49.90 O ATOM 811 N TRP A 112 16.564 -18.771 -11.422 1.00 32.69 N ATOM 812 CA TRP A 112 15.853 -19.093 -12.640 1.00 33.40 C ATOM 813 C TRP A 112 16.502 -18.441 -13.869 1.00 34.07 C ATOM 814 O TRP A 112 16.806 -19.138 -14.846 1.00 33.38 O ATOM 815 CB TRP A 112 14.364 -18.720 -12.565 1.00 32.31 C ATOM 816 CG TRP A 112 13.644 -19.035 -13.843 1.00 32.66 C ATOM 817 CD1 TRP A 112 13.472 -18.196 -14.918 1.00 34.16 C ATOM 818 CD2 TRP A 112 13.027 -20.275 -14.203 1.00 32.50 C ATOM 819 NE1 TRP A 112 12.780 -18.838 -15.914 1.00 34.23 N ATOM 820 CE2 TRP A 112 12.498 -20.115 -15.508 1.00 33.05 C ATOM 821 CE3 TRP A 112 12.864 -21.506 -13.552 1.00 32.38 C ATOM 822 CZ2 TRP A 112 11.819 -21.139 -16.174 1.00 33.69 C ATOM 823 CZ3 TRP A 112 12.179 -22.528 -14.214 1.00 33.10 C ATOM 824 CH2 TRP A 112 11.668 -22.338 -15.514 1.00 33.08 C ATOM 825 N ASN A 113 16.700 -17.126 -13.823 1.00 33.47 N ATOM 826 CA ASN A 113 17.218 -16.399 -14.994 1.00 35.11 C ATOM 827 C ASN A 113 18.634 -16.803 -15.414 1.00 37.18 C ATOM 828 O ASN A 113 18.895 -16.906 -16.612 1.00 37.87 O ATOM 829 CB ASN A 113 17.127 -14.878 -14.814 1.00 33.42 C ATOM 830 CG ASN A 113 15.691 -14.371 -14.841 1.00 33.51 C ATOM 831 OD1 ASN A 113 14.836 -14.951 -15.504 1.00 35.24 O ATOM 832 ND2 ASN A 113 15.420 -13.286 -14.125 1.00 31.55 N ATOM 833 N THR A 114 19.526 -17.047 -14.456 1.00 37.72 N ATOM 834 CA THR A 114 20.910 -17.379 -14.777 1.00 40.93 C ATOM 835 C THR A 114 21.083 -18.885 -15.027 1.00 44.00 C ATOM 836 O THR A 114 21.661 -19.273 -16.038 1.00 46.26 O ATOM 837 CB THR A 114 21.909 -16.873 -13.709 1.00 41.25 C ATOM 838 OG1 THR A 114 21.781 -17.633 -12.510 1.00 47.96 O ATOM 839 CG2 THR A 114 21.684 -15.394 -13.392 1.00 39.61 C ATOM 840 N HIS A 115 20.552 -19.728 -14.144 1.00 46.84 N ATOM 841 CA HIS A 115 20.831 -21.173 -14.197 1.00 51.43 C ATOM 842 C HIS A 115 19.791 -22.019 -14.923 1.00 51.57 C ATOM 843 O HIS A 115 20.170 -22.949 -15.621 1.00 56.77 O ATOM 844 CB HIS A 115 21.077 -21.731 -12.791 1.00 53.04 C ATOM 845 CG HIS A 115 22.260 -21.121 -12.107 1.00 56.65 C ATOM 846 ND1 HIS A 115 22.143 -20.124 -11.161 1.00 56.95 N ATOM 847 CD2 HIS A 115 23.588 -21.347 -12.251 1.00 59.13 C ATOM 848 CE1 HIS A 115 23.346 -19.772 -10.742 1.00 57.97 C ATOM 849 NE2 HIS A 115 24.240 -20.499 -11.388 1.00 60.00 N ATOM 850 N LEU A 116 18.503 -21.711 -14.775 1.00 52.53 N ATOM 851 CA LEU A 116 17.425 -22.582 -15.302 1.00 55.46 C ATOM 852 C LEU A 116 16.786 -22.118 -16.616 1.00 57.01 C ATOM 853 O LEU A 116 16.322 -22.946 -17.403 1.00 58.32 O ATOM 854 CB LEU A 116 16.338 -22.793 -14.244 1.00 55.00 C ATOM 855 CG LEU A 116 16.801 -23.272 -12.860 1.00 56.26 C ATOM 856 CD1 LEU A 116 15.652 -23.192 -11.864 1.00 57.09 C ATOM 857 CD2 LEU A 116 17.367 -24.684 -12.893 1.00 57.78 C ATOM 858 N SER A 117 16.756 -20.810 -16.854 1.00 60.82 N ATOM 859 CA SER A 117 16.279 -20.269 -18.129 1.00 65.66 C ATOM 860 C SER A 117 17.222 -20.612 -19.295 1.00 70.73 C ATOM 861 O SER A 117 16.788 -20.633 -20.450 1.00 71.84 O ATOM 862 CB SER A 117 16.092 -18.756 -18.042 1.00 65.41 C ATOM 863 OG SER A 117 15.327 -18.289 -19.137 1.00 67.72 O ATOM 864 N LYS A 118 18.501 -20.860 -18.994 1.00 75.33 N ATOM 865 CA LYS A 118 19.456 -21.368 -19.988 1.00 76.09 C ATOM 866 C LYS A 118 18.963 -22.683 -20.609 1.00 75.55 C ATOM 867 O LYS A 118 18.969 -22.832 -21.832 1.00 76.95 O ATOM 868 CB LYS A 118 20.842 -21.559 -19.359 1.00 75.65 C ATOM 869 N LYS A 119 18.520 -23.614 -19.761 1.00 72.25 N ATOM 870 CA LYS A 119 17.916 -24.873 -20.214 1.00 70.42 C ATOM 871 C LYS A 119 16.542 -24.618 -20.835 1.00 70.75 C ATOM 872 O LYS A 119 15.768 -25.545 -21.075 1.00 72.13 O ATOM 873 CB LYS A 119 17.792 -25.862 -19.050 1.00 67.14 C TER 874 LYS A 119 ATOM 875 O5' DA B 3 48.143 -3.177 -20.106 1.00 92.06 O ATOM 876 C5' DA B 3 46.745 -2.999 -20.413 1.00 92.47 C ATOM 877 C4' DA B 3 46.240 -4.140 -21.266 1.00 93.23 C ATOM 878 O4' DA B 3 46.525 -5.393 -20.613 1.00 93.74 O ATOM 879 C3' DA B 3 44.731 -4.143 -21.500 1.00 93.97 C ATOM 880 O3' DA B 3 44.404 -3.440 -22.706 1.00 94.95 O ATOM 881 C2' DA B 3 44.383 -5.620 -21.605 1.00 92.38 C ATOM 882 C1' DA B 3 45.589 -6.369 -21.045 1.00 91.31 C ATOM 883 N9 DA B 3 45.285 -7.239 -19.908 1.00 88.77 N ATOM 884 C8 DA B 3 45.635 -7.073 -18.590 1.00 86.41 C ATOM 885 N7 DA B 3 45.214 -8.036 -17.807 1.00 84.14 N ATOM 886 C5 DA B 3 44.543 -8.895 -18.666 1.00 81.56 C ATOM 887 C6 DA B 3 43.867 -10.110 -18.452 1.00 78.73 C ATOM 888 N6 DA B 3 43.754 -10.693 -17.256 1.00 75.65 N ATOM 889 N1 DA B 3 43.304 -10.713 -19.523 1.00 77.27 N ATOM 890 C2 DA B 3 43.420 -10.129 -20.723 1.00 77.92 C ATOM 891 N3 DA B 3 44.028 -8.988 -21.049 1.00 79.28 N ATOM 892 C4 DA B 3 44.577 -8.415 -19.963 1.00 84.29 C ATOM 893 P DT B 4 42.932 -2.827 -22.923 1.00 97.68 P ATOM 894 OP1 DT B 4 42.923 -2.085 -24.210 1.00 98.77 O ATOM 895 OP2 DT B 4 42.531 -2.129 -21.675 1.00 96.68 O ATOM 896 O5' DT B 4 42.027 -4.123 -23.119 1.00 93.49 O ATOM 897 C5' DT B 4 42.141 -4.936 -24.303 1.00 88.31 C ATOM 898 C4' DT B 4 41.313 -6.193 -24.157 1.00 85.60 C ATOM 899 O4' DT B 4 41.621 -6.851 -22.905 1.00 82.39 O ATOM 900 C3' DT B 4 39.800 -5.950 -24.158 1.00 83.46 C ATOM 901 O3' DT B 4 39.180 -6.601 -25.271 1.00 84.03 O ATOM 902 C2' DT B 4 39.322 -6.503 -22.824 1.00 81.11 C ATOM 903 C1' DT B 4 40.437 -7.434 -22.398 1.00 77.89 C ATOM 904 N1 DT B 4 40.586 -7.573 -20.931 1.00 70.14 N ATOM 905 C2 DT B 4 40.403 -8.813 -20.355 1.00 67.15 C ATOM 906 O2 DT B 4 40.135 -9.816 -20.995 1.00 65.91 O ATOM 907 N3 DT B 4 40.560 -8.837 -18.990 1.00 66.03 N ATOM 908 C4 DT B 4 40.864 -7.770 -18.165 1.00 66.00 C ATOM 909 O4 DT B 4 40.969 -7.945 -16.954 1.00 65.57 O ATOM 910 C5 DT B 4 41.031 -6.499 -18.836 1.00 65.02 C ATOM 911 C7 DT B 4 41.359 -5.286 -18.024 1.00 63.75 C ATOM 912 C6 DT B 4 40.884 -6.465 -20.166 1.00 68.52 C ATOM 913 P DT B 5 37.617 -6.389 -25.566 1.00 86.16 P ATOM 914 OP1 DT B 5 37.411 -6.433 -27.037 1.00 84.20 O ATOM 915 OP2 DT B 5 37.146 -5.212 -24.789 1.00 82.76 O ATOM 916 O5' DT B 5 36.968 -7.715 -24.970 1.00 82.61 O ATOM 917 C5' DT B 5 37.428 -9.005 -25.412 1.00 75.85 C ATOM 918 C4' DT B 5 36.688 -10.103 -24.687 1.00 72.30 C ATOM 919 O4' DT B 5 37.072 -10.120 -23.291 1.00 69.57 O ATOM 920 C3' DT B 5 35.163 -9.980 -24.714 1.00 68.98 C ATOM 921 O3' DT B 5 34.639 -11.255 -25.103 1.00 71.13 O ATOM 922 C2' DT B 5 34.817 -9.508 -23.310 1.00 67.60 C ATOM 923 C1' DT B 5 35.918 -10.138 -22.471 1.00 65.30 C ATOM 924 N1 DT B 5 36.260 -9.458 -21.197 1.00 61.39 N ATOM 925 C2 DT B 5 36.380 -10.226 -20.058 1.00 58.04 C ATOM 926 O2 DT B 5 36.188 -11.430 -20.040 1.00 60.67 O ATOM 927 N3 DT B 5 36.724 -9.524 -18.929 1.00 54.10 N ATOM 928 C4 DT B 5 36.968 -8.167 -18.830 1.00 54.10 C ATOM 929 O4 DT B 5 37.268 -7.677 -17.745 1.00 52.81 O ATOM 930 C5 DT B 5 36.836 -7.426 -20.064 1.00 55.13 C ATOM 931 C7 DT B 5 37.077 -5.949 -20.051 1.00 54.38 C ATOM 932 C6 DT B 5 36.501 -8.100 -21.172 1.00 56.78 C ATOM 933 P DC B 6 33.070 -11.544 -25.074 1.00 73.59 P ATOM 934 OP1 DC B 6 32.777 -12.610 -26.066 1.00 73.09 O ATOM 935 OP2 DC B 6 32.357 -10.242 -25.155 1.00 75.89 O ATOM 936 O5' DC B 6 32.877 -12.192 -23.635 1.00 67.47 O ATOM 937 C5' DC B 6 33.685 -13.313 -23.237 1.00 65.20 C ATOM 938 C4' DC B 6 33.271 -13.775 -21.861 1.00 63.63 C ATOM 939 O4' DC B 6 33.745 -12.842 -20.862 1.00 60.91 O ATOM 940 C3' DC B 6 31.756 -13.887 -21.672 1.00 63.11 C ATOM 941 O3' DC B 6 31.463 -15.240 -21.317 1.00 64.55 O ATOM 942 C2' DC B 6 31.426 -12.840 -20.617 1.00 61.63 C ATOM 943 C1' DC B 6 32.742 -12.635 -19.887 1.00 59.32 C ATOM 944 N1 DC B 6 32.949 -11.291 -19.313 1.00 54.18 N ATOM 945 C2 DC B 6 33.168 -11.155 -17.936 1.00 54.15 C ATOM 946 O2 DC B 6 33.149 -12.168 -17.220 1.00 55.64 O ATOM 947 N3 DC B 6 33.379 -9.923 -17.419 1.00 52.16 N ATOM 948 C4 DC B 6 33.390 -8.855 -18.222 1.00 52.76 C ATOM 949 N4 DC B 6 33.605 -7.659 -17.670 1.00 52.38 N ATOM 950 C5 DC B 6 33.176 -8.966 -19.627 1.00 50.76 C ATOM 951 C6 DC B 6 32.967 -10.191 -20.125 1.00 53.29 C ATOM 952 P DT B 7 29.955 -15.735 -21.175 1.00 69.09 P ATOM 953 OP1 DT B 7 29.900 -17.157 -21.606 1.00 67.61 O ATOM 954 OP2 DT B 7 29.061 -14.726 -21.809 1.00 63.56 O ATOM 955 O5' DT B 7 29.733 -15.695 -19.601 1.00 63.75 O ATOM 956 C5' DT B 7 30.709 -16.274 -18.719 1.00 59.55 C ATOM 957 C4' DT B 7 30.323 -16.024 -17.282 1.00 57.07 C ATOM 958 O4' DT B 7 30.637 -14.662 -16.921 1.00 53.91 O ATOM 959 C3' DT B 7 28.838 -16.225 -16.969 1.00 55.90 C ATOM 960 O3' DT B 7 28.769 -17.177 -15.905 1.00 55.74 O ATOM 961 C2' DT B 7 28.323 -14.821 -16.677 1.00 54.26 C ATOM 962 C1' DT B 7 29.566 -14.097 -16.189 1.00 52.23 C ATOM 963 N1 DT B 7 29.624 -12.634 -16.395 1.00 48.45 N ATOM 964 C2 DT B 7 29.988 -11.832 -15.334 1.00 44.70 C ATOM 965 O2 DT B 7 30.190 -12.262 -14.210 1.00 46.63 O ATOM 966 N3 DT B 7 30.082 -10.496 -15.634 1.00 43.85 N ATOM 967 C4 DT B 7 29.877 -9.899 -16.865 1.00 46.58 C ATOM 968 O4 DT B 7 30.005 -8.684 -16.984 1.00 45.27 O ATOM 969 C5 DT B 7 29.522 -10.802 -17.936 1.00 47.61 C ATOM 970 C7 DT B 7 29.279 -10.245 -19.303 1.00 48.10 C ATOM 971 C6 DT B 7 29.426 -12.107 -17.654 1.00 47.58 C ATOM 972 P DC B 8 27.360 -17.729 -15.393 1.00 58.24 P ATOM 973 OP1 DC B 8 27.578 -19.072 -14.795 1.00 56.21 O ATOM 974 OP2 DC B 8 26.353 -17.538 -16.469 1.00 57.13 O ATOM 975 O5' DC B 8 27.034 -16.731 -14.200 1.00 55.84 O ATOM 976 C5' DC B 8 28.046 -16.446 -13.223 1.00 54.38 C ATOM 977 C4' DC B 8 27.550 -15.376 -12.287 1.00 52.35 C ATOM 978 O4' DC B 8 27.585 -14.092 -12.949 1.00 50.72 O ATOM 979 C3' DC B 8 26.109 -15.578 -11.822 1.00 52.39 C ATOM 980 O3' DC B 8 26.119 -15.290 -10.428 1.00 54.32 O ATOM 981 C2' DC B 8 25.318 -14.586 -12.659 1.00 50.75 C ATOM 982 C1' DC B 8 26.326 -13.457 -12.828 1.00 48.50 C ATOM 983 N1 DC B 8 26.177 -12.536 -13.976 1.00 44.50 N ATOM 984 C2 DC B 8 26.718 -11.251 -13.861 1.00 43.45 C ATOM 985 O2 DC B 8 27.260 -10.921 -12.797 1.00 43.42 O ATOM 986 N3 DC B 8 26.612 -10.391 -14.900 1.00 43.00 N ATOM 987 C4 DC B 8 26.017 -10.780 -16.029 1.00 45.49 C ATOM 988 N4 DC B 8 25.941 -9.900 -17.031 1.00 46.62 N ATOM 989 C5 DC B 8 25.469 -12.089 -16.181 1.00 45.45 C ATOM 990 C6 DC B 8 25.579 -12.930 -15.142 1.00 44.92 C ATOM 991 P DC B 9 25.184 -16.083 -9.419 1.00 51.88 P ATOM 992 OP1 DC B 9 26.048 -16.925 -8.556 1.00 50.65 O ATOM 993 OP2 DC B 9 24.056 -16.680 -10.180 1.00 49.97 O ATOM 994 O5' DC B 9 24.640 -14.902 -8.506 1.00 45.41 O ATOM 995 C5' DC B 9 25.563 -13.953 -7.955 1.00 40.29 C ATOM 996 C4' DC B 9 24.934 -12.582 -7.935 1.00 39.36 C ATOM 997 O4' DC B 9 24.917 -11.998 -9.264 1.00 36.58 O ATOM 998 C3' DC B 9 23.482 -12.566 -7.450 1.00 36.87 C ATOM 999 O3' DC B 9 23.333 -11.475 -6.555 1.00 37.16 O ATOM 1000 C2' DC B 9 22.694 -12.273 -8.712 1.00 37.61 C ATOM 1001 C1' DC B 9 23.673 -11.349 -9.409 1.00 36.29 C ATOM 1002 N1 DC B 9 23.472 -11.053 -10.834 1.00 33.21 N ATOM 1003 C2 DC B 9 23.909 -9.817 -11.320 1.00 33.41 C ATOM 1004 O2 DC B 9 24.433 -9.016 -10.534 1.00 32.57 O ATOM 1005 N3 DC B 9 23.732 -9.519 -12.628 1.00 31.99 N ATOM 1006 C4 DC B 9 23.154 -10.405 -13.441 1.00 32.96 C ATOM 1007 N4 DC B 9 23.009 -10.073 -14.725 1.00 35.52 N ATOM 1008 C5 DC B 9 22.708 -11.676 -12.976 1.00 34.19 C ATOM 1009 C6 DC B 9 22.879 -11.954 -11.676 1.00 33.69 C ATOM 1010 P DA B 10 23.346 -11.705 -4.985 1.00 32.02 P ATOM 1011 OP1 DA B 10 24.484 -12.579 -4.670 1.00 33.73 O ATOM 1012 OP2 DA B 10 21.976 -12.095 -4.582 1.00 33.69 O ATOM 1013 O5' DA B 10 23.614 -10.230 -4.447 1.00 30.41 O ATOM 1014 C5' DA B 10 24.865 -9.574 -4.700 1.00 28.48 C ATOM 1015 C4' DA B 10 24.647 -8.096 -4.917 1.00 27.63 C ATOM 1016 O4' DA B 10 24.084 -7.849 -6.226 1.00 27.01 O ATOM 1017 C3' DA B 10 23.700 -7.426 -3.923 1.00 26.67 C ATOM 1018 O3' DA B 10 24.246 -6.141 -3.639 1.00 26.64 O ATOM 1019 C2' DA B 10 22.370 -7.399 -4.659 1.00 25.70 C ATOM 1020 C1' DA B 10 22.778 -7.290 -6.126 1.00 26.26 C ATOM 1021 N9 DA B 10 21.934 -7.998 -7.088 1.00 25.01 N ATOM 1022 C8 DA B 10 21.183 -9.135 -6.910 1.00 24.79 C ATOM 1023 N7 DA B 10 20.574 -9.541 -7.998 1.00 25.65 N ATOM 1024 C5 DA B 10 20.976 -8.630 -8.965 1.00 24.59 C ATOM 1025 C6 DA B 10 20.697 -8.523 -10.338 1.00 25.17 C ATOM 1026 N6 DA B 10 19.900 -9.365 -10.997 1.00 26.02 N ATOM 1027 N1 DA B 10 21.241 -7.485 -11.012 1.00 26.27 N ATOM 1028 C2 DA B 10 22.024 -6.626 -10.345 1.00 26.50 C ATOM 1029 N3 DA B 10 22.382 -6.638 -9.060 1.00 25.40 N ATOM 1030 C4 DA B 10 21.814 -7.675 -8.418 1.00 25.52 C ATOM 1031 P DA B 11 23.530 -5.161 -2.634 1.00 26.77 P ATOM 1032 OP1 DA B 11 24.574 -4.276 -2.062 1.00 27.83 O ATOM 1033 OP2 DA B 11 22.644 -5.949 -1.737 1.00 26.06 O ATOM 1034 O5' DA B 11 22.612 -4.286 -3.586 1.00 27.26 O ATOM 1035 C5' DA B 11 23.232 -3.508 -4.623 1.00 28.67 C ATOM 1036 C4' DA B 11 22.186 -2.951 -5.556 1.00 28.42 C ATOM 1037 O4' DA B 11 21.596 -4.018 -6.332 1.00 28.18 O ATOM 1038 C3' DA B 11 21.024 -2.230 -4.859 1.00 30.25 C ATOM 1039 O3' DA B 11 21.073 -0.887 -5.336 1.00 33.15 O ATOM 1040 C2' DA B 11 19.792 -3.020 -5.274 1.00 28.44 C ATOM 1041 C1' DA B 11 20.246 -3.672 -6.565 1.00 28.20 C ATOM 1042 N9 DA B 11 19.523 -4.882 -6.954 1.00 27.25 N ATOM 1043 C8 DA B 11 19.091 -5.906 -6.147 1.00 27.13 C ATOM 1044 N7 DA B 11 18.460 -6.857 -6.792 1.00 26.61 N ATOM 1045 C5 DA B 11 18.469 -6.428 -8.111 1.00 26.62 C ATOM 1046 C6 DA B 11 17.953 -6.990 -9.293 1.00 25.87 C ATOM 1047 N6 DA B 11 17.308 -8.156 -9.337 1.00 25.20 N ATOM 1048 N1 DA B 11 18.143 -6.312 -10.447 1.00 25.96 N ATOM 1049 C2 DA B 11 18.796 -5.143 -10.402 1.00 26.98 C ATOM 1050 N3 DA B 11 19.319 -4.509 -9.353 1.00 27.36 N ATOM 1051 C4 DA B 11 19.121 -5.213 -8.225 1.00 26.95 C ATOM 1052 P DC B 12 20.083 0.249 -4.817 1.00 35.46 P ATOM 1053 OP1 DC B 12 20.915 1.357 -4.304 1.00 33.02 O ATOM 1054 OP2 DC B 12 19.049 -0.348 -3.935 1.00 33.49 O ATOM 1055 O5' DC B 12 19.454 0.744 -6.195 1.00 36.78 O ATOM 1056 C5' DC B 12 20.328 1.192 -7.256 1.00 37.36 C ATOM 1057 C4' DC B 12 19.662 1.015 -8.598 1.00 39.88 C ATOM 1058 O4' DC B 12 19.308 -0.373 -8.781 1.00 41.16 O ATOM 1059 C3' DC B 12 18.364 1.812 -8.721 1.00 40.40 C ATOM 1060 O3' DC B 12 18.494 2.919 -9.604 1.00 41.37 O ATOM 1061 C2' DC B 12 17.352 0.835 -9.283 1.00 40.92 C ATOM 1062 C1' DC B 12 18.090 -0.463 -9.502 1.00 40.04 C ATOM 1063 N1 DC B 12 17.334 -1.619 -8.988 1.00 37.55 N ATOM 1064 C2 DC B 12 16.711 -2.480 -9.899 1.00 35.19 C ATOM 1065 O2 DC B 12 16.829 -2.257 -11.112 1.00 37.79 O ATOM 1066 N3 DC B 12 16.008 -3.538 -9.436 1.00 33.39 N ATOM 1067 C4 DC B 12 15.904 -3.746 -8.121 1.00 33.27 C ATOM 1068 N4 DC B 12 15.206 -4.805 -7.712 1.00 32.93 N ATOM 1069 C5 DC B 12 16.507 -2.872 -7.170 1.00 34.31 C ATOM 1070 C6 DC B 12 17.203 -1.827 -7.642 1.00 35.46 C ATOM 1071 P DC B 13 17.354 4.024 -9.649 1.00 41.82 P ATOM 1072 OP1 DC B 13 17.966 5.264 -10.193 1.00 44.61 O ATOM 1073 OP2 DC B 13 16.653 4.035 -8.346 1.00 41.85 O ATOM 1074 O5' DC B 13 16.314 3.445 -10.707 1.00 41.46 O ATOM 1075 C5' DC B 13 16.696 3.225 -12.079 1.00 41.25 C ATOM 1076 C4' DC B 13 15.514 2.728 -12.877 1.00 40.95 C ATOM 1077 O4' DC B 13 15.181 1.384 -12.463 1.00 38.97 O ATOM 1078 C3' DC B 13 14.254 3.574 -12.704 1.00 41.57 C ATOM 1079 O3' DC B 13 13.852 4.173 -13.933 1.00 44.37 O ATOM 1080 C2' DC B 13 13.196 2.623 -12.173 1.00 40.66 C ATOM 1081 C1' DC B 13 13.786 1.231 -12.261 1.00 39.85 C ATOM 1082 N1 DC B 13 13.598 0.439 -11.032 1.00 37.78 N ATOM 1083 C2 DC B 13 12.850 -0.741 -11.083 1.00 36.94 C ATOM 1084 O2 DC B 13 12.337 -1.082 -12.159 1.00 37.18 O ATOM 1085 N3 DC B 13 12.701 -1.480 -9.958 1.00 36.78 N ATOM 1086 C4 DC B 13 13.261 -1.075 -8.815 1.00 35.11 C ATOM 1087 N4 DC B 13 13.083 -1.830 -7.729 1.00 34.43 N ATOM 1088 C5 DC B 13 14.014 0.131 -8.732 1.00 36.75 C ATOM 1089 C6 DC B 13 14.161 0.848 -9.854 1.00 36.31 C ATOM 1090 P DG B 14 12.646 5.227 -13.943 1.00 46.19 P ATOM 1091 OP1 DG B 14 12.872 6.168 -15.068 1.00 50.14 O ATOM 1092 OP2 DG B 14 12.449 5.745 -12.563 1.00 44.43 O ATOM 1093 O5' DG B 14 11.375 4.314 -14.224 1.00 41.76 O ATOM 1094 C5' DG B 14 11.337 3.399 -15.330 1.00 39.38 C ATOM 1095 C4' DG B 14 10.041 2.626 -15.282 1.00 37.62 C ATOM 1096 O4' DG B 14 10.085 1.680 -14.187 1.00 35.67 O ATOM 1097 C3' DG B 14 8.794 3.487 -15.059 1.00 36.50 C ATOM 1098 O3' DG B 14 7.757 3.033 -15.936 1.00 37.56 O ATOM 1099 C2' DG B 14 8.492 3.300 -13.581 1.00 35.34 C ATOM 1100 C1' DG B 14 8.983 1.881 -13.314 1.00 33.49 C ATOM 1101 N9 DG B 14 9.439 1.624 -11.950 1.00 31.09 N ATOM 1102 C8 DG B 14 10.163 2.476 -11.150 1.00 30.72 C ATOM 1103 N7 DG B 14 10.429 1.973 -9.975 1.00 29.88 N ATOM 1104 C5 DG B 14 9.839 0.716 -9.997 1.00 29.72 C ATOM 1105 C6 DG B 14 9.787 -0.292 -9.000 1.00 29.28 C ATOM 1106 O6 DG B 14 10.272 -0.277 -7.865 1.00 28.50 O ATOM 1107 N1 DG B 14 9.089 -1.413 -9.439 1.00 29.20 N ATOM 1108 C2 DG B 14 8.512 -1.546 -10.678 1.00 29.31 C ATOM 1109 N2 DG B 14 7.877 -2.705 -10.916 1.00 28.54 N ATOM 1110 N3 DG B 14 8.555 -0.614 -11.617 1.00 28.72 N ATOM 1111 C4 DG B 14 9.227 0.484 -11.210 1.00 29.43 C ATOM 1112 P DC B 15 6.343 3.788 -16.002 1.00 37.89 P ATOM 1113 OP1 DC B 15 5.836 3.668 -17.395 1.00 40.64 O ATOM 1114 OP2 DC B 15 6.486 5.117 -15.371 1.00 37.43 O ATOM 1115 O5' DC B 15 5.431 2.864 -15.088 1.00 38.45 O ATOM 1116 C5' DC B 15 5.340 1.458 -15.372 1.00 38.01 C ATOM 1117 C4' DC B 15 4.644 0.768 -14.228 1.00 39.23 C ATOM 1118 O4' DC B 15 5.513 0.757 -13.071 1.00 38.33 O ATOM 1119 C3' DC B 15 3.350 1.463 -13.790 1.00 40.56 C ATOM 1120 O3' DC B 15 2.247 0.578 -13.994 1.00 45.62 O ATOM 1121 C2' DC B 15 3.589 1.823 -12.333 1.00 39.48 C ATOM 1122 C1' DC B 15 4.699 0.872 -11.926 1.00 37.51 C ATOM 1123 N1 DC B 15 5.541 1.320 -10.802 1.00 33.79 N ATOM 1124 C2 DC B 15 5.747 0.450 -9.727 1.00 32.75 C ATOM 1125 O2 DC B 15 5.225 -0.674 -9.756 1.00 32.49 O ATOM 1126 N3 DC B 15 6.507 0.857 -8.683 1.00 30.57 N ATOM 1127 C4 DC B 15 7.041 2.080 -8.684 1.00 30.39 C ATOM 1128 N4 DC B 15 7.785 2.438 -7.636 1.00 28.90 N ATOM 1129 C5 DC B 15 6.849 2.986 -9.769 1.00 30.43 C ATOM 1130 C6 DC B 15 6.101 2.568 -10.797 1.00 31.94 C ATOM 1131 P DA B 16 0.755 1.047 -13.659 1.00 49.56 P ATOM 1132 OP1 DA B 16 -0.138 0.521 -14.719 1.00 53.13 O ATOM 1133 OP2 DA B 16 0.766 2.496 -13.338 1.00 49.44 O ATOM 1134 O5' DA B 16 0.434 0.225 -12.341 1.00 47.54 O ATOM 1135 C5' DA B 16 0.628 -1.196 -12.347 1.00 47.58 C ATOM 1136 C4' DA B 16 0.219 -1.771 -11.015 1.00 47.20 C ATOM 1137 O4' DA B 16 1.209 -1.432 -10.017 1.00 44.41 O ATOM 1138 C3' DA B 16 -1.115 -1.257 -10.477 1.00 46.00 C ATOM 1139 O3' DA B 16 -1.728 -2.393 -9.866 1.00 49.65 O ATOM 1140 C2' DA B 16 -0.701 -0.155 -9.519 1.00 44.25 C ATOM 1141 C1' DA B 16 0.609 -0.691 -8.965 1.00 43.65 C ATOM 1142 N9 DA B 16 1.578 0.311 -8.518 1.00 40.69 N ATOM 1143 C8 DA B 16 1.949 1.480 -9.136 1.00 38.75 C ATOM 1144 N7 DA B 16 2.860 2.158 -8.480 1.00 38.24 N ATOM 1145 C5 DA B 16 3.114 1.379 -7.360 1.00 35.84 C ATOM 1146 C6 DA B 16 3.979 1.548 -6.266 1.00 34.00 C ATOM 1147 N6 DA B 16 4.787 2.600 -6.117 1.00 32.42 N ATOM 1148 N1 DA B 16 3.990 0.583 -5.318 1.00 32.78 N ATOM 1149 C2 DA B 16 3.178 -0.471 -5.466 1.00 32.61 C ATOM 1150 N3 DA B 16 2.317 -0.738 -6.447 1.00 34.69 N ATOM 1151 C4 DA B 16 2.338 0.234 -7.375 1.00 37.25 C ATOM 1152 P DT B 17 -3.177 -2.310 -9.209 1.00 51.66 P ATOM 1153 OP1 DT B 17 -3.874 -3.582 -9.529 1.00 50.24 O ATOM 1154 OP2 DT B 17 -3.797 -1.009 -9.569 1.00 47.72 O ATOM 1155 O5' DT B 17 -2.835 -2.345 -7.656 1.00 47.72 O ATOM 1156 C5' DT B 17 -2.050 -3.436 -7.141 1.00 44.66 C ATOM 1157 C4' DT B 17 -1.634 -3.148 -5.720 1.00 43.70 C ATOM 1158 O4' DT B 17 -0.736 -2.015 -5.677 1.00 40.15 O ATOM 1159 C3' DT B 17 -2.790 -2.813 -4.774 1.00 42.50 C ATOM 1160 O3' DT B 17 -2.628 -3.677 -3.649 1.00 43.74 O ATOM 1161 C2' DT B 17 -2.596 -1.336 -4.469 1.00 41.38 C ATOM 1162 C1' DT B 17 -1.088 -1.192 -4.580 1.00 39.97 C ATOM 1163 N1 DT B 17 -0.549 0.163 -4.850 1.00 36.32 N ATOM 1164 C2 DT B 17 0.410 0.683 -4.006 1.00 34.01 C ATOM 1165 O2 DT B 17 0.808 0.106 -3.009 1.00 33.32 O ATOM 1166 N3 DT B 17 0.893 1.914 -4.378 1.00 33.16 N ATOM 1167 C4 DT B 17 0.512 2.662 -5.474 1.00 32.74 C ATOM 1168 O4 DT B 17 1.032 3.754 -5.675 1.00 33.25 O ATOM 1169 C5 DT B 17 -0.489 2.053 -6.320 1.00 34.43 C ATOM 1170 C7 DT B 17 -0.960 2.787 -7.535 1.00 36.35 C ATOM 1171 C6 DT B 17 -0.952 0.844 -5.977 1.00 34.87 C ATOM 1172 P DT B 18 -3.739 -3.759 -2.506 1.00 46.03 P ATOM 1173 OP1 DT B 18 -3.786 -5.164 -2.029 1.00 44.10 O ATOM 1174 OP2 DT B 18 -4.969 -3.088 -2.999 1.00 41.55 O ATOM 1175 O5' DT B 18 -3.099 -2.876 -1.341 1.00 40.99 O ATOM 1176 C5' DT B 18 -1.839 -3.259 -0.765 1.00 39.09 C ATOM 1177 C4' DT B 18 -1.340 -2.183 0.170 1.00 37.77 C ATOM 1178 O4' DT B 18 -1.007 -0.986 -0.571 1.00 36.13 O ATOM 1179 C3' DT B 18 -2.330 -1.755 1.261 1.00 35.88 C ATOM 1180 O3' DT B 18 -1.662 -1.963 2.509 1.00 35.96 O ATOM 1181 C2' DT B 18 -2.649 -0.305 0.927 1.00 35.92 C ATOM 1182 C1' DT B 18 -1.397 0.142 0.193 1.00 36.07 C ATOM 1183 N1 DT B 18 -1.541 1.279 -0.740 1.00 34.52 N ATOM 1184 C2 DT B 18 -0.720 2.378 -0.594 1.00 33.38 C ATOM 1185 O2 DT B 18 0.099 2.489 0.303 1.00 33.05 O ATOM 1186 N3 DT B 18 -0.898 3.354 -1.545 1.00 32.72 N ATOM 1187 C4 DT B 18 -1.783 3.334 -2.605 1.00 33.03 C ATOM 1188 O4 DT B 18 -1.826 4.285 -3.380 1.00 34.71 O ATOM 1189 C5 DT B 18 -2.608 2.150 -2.699 1.00 32.84 C ATOM 1190 C7 DT B 18 -3.601 2.043 -3.812 1.00 34.73 C ATOM 1191 C6 DT B 18 -2.437 1.190 -1.783 1.00 32.99 C ATOM 1192 P DT B 19 -2.370 -1.634 3.905 1.00 36.64 P ATOM 1193 OP1 DT B 19 -1.839 -2.577 4.911 1.00 37.88 O ATOM 1194 OP2 DT B 19 -3.830 -1.515 3.688 1.00 38.03 O ATOM 1195 O5' DT B 19 -1.809 -0.185 4.244 1.00 37.00 O ATOM 1196 C5' DT B 19 -0.391 0.050 4.198 1.00 36.68 C ATOM 1197 C4' DT B 19 -0.060 1.464 4.611 1.00 36.30 C ATOM 1198 O4' DT B 19 -0.310 2.369 3.517 1.00 34.96 O ATOM 1199 C3' DT B 19 -0.842 2.005 5.809 1.00 35.93 C ATOM 1200 O3' DT B 19 0.137 2.468 6.741 1.00 38.76 O ATOM 1201 C2' DT B 19 -1.762 3.058 5.210 1.00 35.43 C ATOM 1202 C1' DT B 19 -0.992 3.519 3.987 1.00 35.66 C ATOM 1203 N1 DT B 19 -1.782 4.046 2.853 1.00 34.84 N ATOM 1204 C2 DT B 19 -1.388 5.231 2.265 1.00 35.47 C ATOM 1205 O2 DT B 19 -0.467 5.911 2.682 1.00 35.98 O ATOM 1206 N3 DT B 19 -2.130 5.600 1.170 1.00 35.03 N ATOM 1207 C4 DT B 19 -3.187 4.911 0.608 1.00 34.59 C ATOM 1208 O4 DT B 19 -3.758 5.369 -0.376 1.00 37.64 O ATOM 1209 C5 DT B 19 -3.536 3.670 1.265 1.00 33.36 C ATOM 1210 C7 DT B 19 -4.673 2.858 0.730 1.00 32.23 C ATOM 1211 C6 DT B 19 -2.808 3.293 2.325 1.00 33.97 C ATOM 1212 P DT B 20 -0.299 3.131 8.119 1.00 42.28 P ATOM 1213 OP1 DT B 20 0.707 2.758 9.137 1.00 43.74 O ATOM 1214 OP2 DT B 20 -1.732 2.827 8.359 1.00 43.52 O ATOM 1215 O5' DT B 20 -0.181 4.681 7.786 1.00 43.05 O ATOM 1216 C5' DT B 20 1.053 5.212 7.287 1.00 42.93 C ATOM 1217 C4' DT B 20 0.904 6.686 7.010 1.00 46.35 C ATOM 1218 O4' DT B 20 0.098 6.873 5.827 1.00 45.51 O ATOM 1219 C3' DT B 20 0.231 7.489 8.127 1.00 48.58 C ATOM 1220 O3' DT B 20 1.102 8.571 8.469 1.00 56.12 O ATOM 1221 C2' DT B 20 -1.092 7.936 7.525 1.00 46.72 C ATOM 1222 C1' DT B 20 -0.797 7.943 6.035 1.00 45.17 C ATOM 1223 N1 DT B 20 -1.944 7.740 5.127 1.00 43.62 N ATOM 1224 C2 DT B 20 -2.054 8.560 4.026 1.00 42.00 C ATOM 1225 O2 DT B 20 -1.277 9.470 3.790 1.00 43.16 O ATOM 1226 N3 DT B 20 -3.118 8.277 3.206 1.00 42.15 N ATOM 1227 C4 DT B 20 -4.053 7.271 3.368 1.00 41.28 C ATOM 1228 O4 DT B 20 -4.957 7.141 2.548 1.00 43.25 O ATOM 1229 C5 DT B 20 -3.867 6.438 4.534 1.00 38.84 C ATOM 1230 C7 DT B 20 -4.831 5.324 4.793 1.00 38.61 C ATOM 1231 C6 DT B 20 -2.828 6.702 5.337 1.00 41.05 C ATOM 1232 P DC B 21 0.909 9.388 9.833 1.00 62.78 P ATOM 1233 OP1 DC B 21 2.246 9.883 10.253 1.00 64.63 O ATOM 1234 OP2 DC B 21 0.094 8.568 10.769 1.00 58.11 O ATOM 1235 O5' DC B 21 0.049 10.642 9.364 1.00 65.76 O ATOM 1236 C5' DC B 21 0.500 11.480 8.282 1.00 71.44 C ATOM 1237 C4' DC B 21 -0.597 12.438 7.885 1.00 75.14 C ATOM 1238 O4' DC B 21 -1.627 11.710 7.172 1.00 76.00 O ATOM 1239 C3' DC B 21 -1.297 13.122 9.065 1.00 78.22 C ATOM 1240 O3' DC B 21 -1.533 14.507 8.786 1.00 82.70 O ATOM 1241 C2' DC B 21 -2.589 12.337 9.209 1.00 76.74 C ATOM 1242 C1' DC B 21 -2.886 11.998 7.756 1.00 75.60 C ATOM 1243 N1 DC B 21 -3.798 10.869 7.467 1.00 72.10 N ATOM 1244 C2 DC B 21 -4.381 10.801 6.195 1.00 67.80 C ATOM 1245 O2 DC B 21 -4.105 11.677 5.360 1.00 67.08 O ATOM 1246 N3 DC B 21 -5.228 9.784 5.907 1.00 66.52 N ATOM 1247 C4 DC B 21 -5.497 8.858 6.831 1.00 68.11 C ATOM 1248 N4 DC B 21 -6.336 7.872 6.503 1.00 66.35 N ATOM 1249 C5 DC B 21 -4.918 8.903 8.134 1.00 69.25 C ATOM 1250 C6 DC B 21 -4.083 9.915 8.407 1.00 71.59 C TER 1251 DC B 21 ATOM 1252 O5' DC C 1 -16.004 11.973 2.318 1.00120.58 O ATOM 1253 C5' DC C 1 -14.834 11.415 1.688 1.00118.58 C ATOM 1254 C4' DC C 1 -13.979 12.517 1.105 1.00117.47 C ATOM 1255 O4' DC C 1 -13.054 12.999 2.111 1.00116.20 O ATOM 1256 C3' DC C 1 -13.113 12.108 -0.088 1.00114.48 C ATOM 1257 O3' DC C 1 -13.062 13.208 -1.006 1.00114.24 O ATOM 1258 C2' DC C 1 -11.781 11.793 0.567 1.00113.32 C ATOM 1259 C1' DC C 1 -11.722 12.872 1.631 1.00111.55 C ATOM 1260 N1 DC C 1 -10.851 12.560 2.779 1.00105.86 N ATOM 1261 C2 DC C 1 -9.714 13.346 3.010 1.00102.37 C ATOM 1262 O2 DC C 1 -9.469 14.290 2.243 1.00104.84 O ATOM 1263 N3 DC C 1 -8.914 13.058 4.063 1.00 97.73 N ATOM 1264 C4 DC C 1 -9.210 12.032 4.865 1.00 97.62 C ATOM 1265 N4 DC C 1 -8.392 11.784 5.891 1.00 95.31 N ATOM 1266 C5 DC C 1 -10.358 11.214 4.651 1.00 99.15 C ATOM 1267 C6 DC C 1 -11.143 11.510 3.606 1.00103.06 C ATOM 1268 P DG C 2 -12.083 13.180 -2.276 1.00117.90 P ATOM 1269 OP1 DG C 2 -12.655 14.081 -3.312 1.00117.10 O ATOM 1270 OP2 DG C 2 -11.801 11.760 -2.615 1.00116.90 O ATOM 1271 O5' DG C 2 -10.750 13.837 -1.700 1.00105.83 O ATOM 1272 C5' DG C 2 -9.874 14.634 -2.521 1.00 95.36 C ATOM 1273 C4' DG C 2 -8.464 14.095 -2.459 1.00 88.91 C ATOM 1274 O4' DG C 2 -8.246 13.404 -1.202 1.00 84.36 O ATOM 1275 C3' DG C 2 -8.099 13.090 -3.560 1.00 85.04 C ATOM 1276 O3' DG C 2 -6.780 13.323 -4.060 1.00 84.78 O ATOM 1277 C2' DG C 2 -8.096 11.760 -2.832 1.00 81.23 C ATOM 1278 C1' DG C 2 -7.565 12.195 -1.483 1.00 76.67 C ATOM 1279 N9 DG C 2 -7.771 11.279 -0.366 1.00 68.01 N ATOM 1280 C8 DG C 2 -8.618 10.198 -0.308 1.00 66.05 C ATOM 1281 N7 DG C 2 -8.551 9.555 0.826 1.00 64.04 N ATOM 1282 C5 DG C 2 -7.590 10.242 1.555 1.00 61.88 C ATOM 1283 C6 DG C 2 -7.089 10.013 2.863 1.00 61.65 C ATOM 1284 O6 DG C 2 -7.402 9.124 3.666 1.00 62.37 O ATOM 1285 N1 DG C 2 -6.122 10.951 3.213 1.00 62.49 N ATOM 1286 C2 DG C 2 -5.695 11.981 2.410 1.00 63.71 C ATOM 1287 N2 DG C 2 -4.750 12.783 2.927 1.00 64.28 N ATOM 1288 N3 DG C 2 -6.153 12.204 1.188 1.00 62.67 N ATOM 1289 C4 DG C 2 -7.096 11.307 0.831 1.00 64.67 C ATOM 1290 P DA C 3 -6.527 14.402 -5.208 1.00 87.46 P ATOM 1291 OP1 DA C 3 -7.638 15.386 -5.174 1.00 91.47 O ATOM 1292 OP2 DA C 3 -6.227 13.673 -6.464 1.00 87.45 O ATOM 1293 O5' DA C 3 -5.191 15.126 -4.732 1.00 83.14 O ATOM 1294 C5' DA C 3 -5.082 15.728 -3.426 1.00 78.63 C ATOM 1295 C4' DA C 3 -3.647 15.755 -2.949 1.00 73.83 C ATOM 1296 O4' DA C 3 -3.456 14.741 -1.937 1.00 70.83 O ATOM 1297 C3' DA C 3 -2.574 15.480 -4.001 1.00 70.73 C ATOM 1298 O3' DA C 3 -1.416 16.246 -3.651 1.00 67.57 O ATOM 1299 C2' DA C 3 -2.402 13.972 -3.919 1.00 68.26 C ATOM 1300 C1' DA C 3 -2.665 13.671 -2.447 1.00 66.19 C ATOM 1301 N9 DA C 3 -3.373 12.423 -2.165 1.00 59.66 N ATOM 1302 C8 DA C 3 -4.245 11.712 -2.956 1.00 55.99 C ATOM 1303 N7 DA C 3 -4.719 10.634 -2.381 1.00 52.62 N ATOM 1304 C5 DA C 3 -4.133 10.641 -1.123 1.00 51.40 C ATOM 1305 C6 DA C 3 -4.229 9.765 -0.029 1.00 49.61 C ATOM 1306 N6 DA C 3 -4.989 8.668 -0.023 1.00 48.70 N ATOM 1307 N1 DA C 3 -3.502 10.054 1.072 1.00 50.24 N ATOM 1308 C2 DA C 3 -2.737 11.155 1.067 1.00 51.14 C ATOM 1309 N3 DA C 3 -2.567 12.056 0.102 1.00 50.91 N ATOM 1310 C4 DA C 3 -3.300 11.737 -0.978 1.00 53.02 C ATOM 1311 P DA C 4 -0.018 16.000 -4.381 1.00 66.51 P ATOM 1312 OP1 DA C 4 0.690 17.300 -4.459 1.00 66.19 O ATOM 1313 OP2 DA C 4 -0.263 15.225 -5.625 1.00 68.80 O ATOM 1314 O5' DA C 4 0.770 15.115 -3.317 1.00 63.81 O ATOM 1315 C5' DA C 4 1.012 15.641 -1.998 1.00 62.05 C ATOM 1316 C4' DA C 4 1.667 14.601 -1.122 1.00 59.79 C ATOM 1317 O4' DA C 4 0.784 13.466 -0.956 1.00 57.78 O ATOM 1318 C3' DA C 4 2.992 14.050 -1.660 1.00 57.66 C ATOM 1319 O3' DA C 4 3.966 14.209 -0.621 1.00 57.30 O ATOM 1320 C2' DA C 4 2.654 12.626 -2.076 1.00 54.33 C ATOM 1321 C1' DA C 4 1.510 12.264 -1.149 1.00 53.36 C ATOM 1322 N9 DA C 4 0.581 11.259 -1.666 1.00 47.98 N ATOM 1323 C8 DA C 4 0.015 11.196 -2.915 1.00 47.19 C ATOM 1324 N7 DA C 4 -0.796 10.179 -3.076 1.00 45.17 N ATOM 1325 C5 DA C 4 -0.761 9.528 -1.851 1.00 42.20 C ATOM 1326 C6 DA C 4 -1.400 8.369 -1.378 1.00 40.91 C ATOM 1327 N6 DA C 4 -2.235 7.632 -2.113 1.00 41.01 N ATOM 1328 N1 DA C 4 -1.148 7.986 -0.107 1.00 40.39 N ATOM 1329 C2 DA C 4 -0.312 8.727 0.632 1.00 39.85 C ATOM 1330 N3 DA C 4 0.349 9.834 0.298 1.00 43.62 N ATOM 1331 C4 DA C 4 0.078 10.185 -0.971 1.00 43.72 C ATOM 1332 P DA C 5 5.417 13.564 -0.744 1.00 59.90 P ATOM 1333 OP1 DA C 5 6.357 14.402 0.042 1.00 57.89 O ATOM 1334 OP2 DA C 5 5.690 13.291 -2.180 1.00 56.49 O ATOM 1335 O5' DA C 5 5.246 12.200 0.061 1.00 55.36 O ATOM 1336 C5' DA C 5 4.645 12.203 1.371 1.00 51.55 C ATOM 1337 C4' DA C 5 4.697 10.822 1.985 1.00 49.55 C ATOM 1338 O4' DA C 5 3.712 9.958 1.367 1.00 46.48 O ATOM 1339 C3' DA C 5 6.038 10.104 1.839 1.00 47.73 C ATOM 1340 O3' DA C 5 6.316 9.446 3.076 1.00 49.68 O ATOM 1341 C2' DA C 5 5.803 9.154 0.677 1.00 46.65 C ATOM 1342 C1' DA C 5 4.336 8.797 0.849 1.00 43.69 C ATOM 1343 N9 DA C 5 3.623 8.421 -0.372 1.00 40.46 N ATOM 1344 C8 DA C 5 3.671 9.011 -1.610 1.00 37.75 C ATOM 1345 N7 DA C 5 2.875 8.455 -2.491 1.00 37.32 N ATOM 1346 C5 DA C 5 2.252 7.437 -1.783 1.00 35.20 C ATOM 1347 C6 DA C 5 1.301 6.470 -2.153 1.00 34.12 C ATOM 1348 N6 DA C 5 0.785 6.369 -3.379 1.00 32.92 N ATOM 1349 N1 DA C 5 0.894 5.594 -1.207 1.00 33.46 N ATOM 1350 C2 DA C 5 1.410 5.696 0.025 1.00 34.03 C ATOM 1351 N3 DA C 5 2.309 6.560 0.492 1.00 35.10 N ATOM 1352 C4 DA C 5 2.698 7.409 -0.474 1.00 36.90 C ATOM 1353 P DA C 6 7.741 8.759 3.334 1.00 50.18 P ATOM 1354 OP1 DA C 6 8.204 9.170 4.679 1.00 46.33 O ATOM 1355 OP2 DA C 6 8.596 8.981 2.144 1.00 46.70 O ATOM 1356 O5' DA C 6 7.379 7.208 3.353 1.00 43.50 O ATOM 1357 C5' DA C 6 6.326 6.698 4.181 1.00 37.71 C ATOM 1358 C4' DA C 6 5.877 5.349 3.669 1.00 36.94 C ATOM 1359 O4' DA C 6 5.222 5.495 2.389 1.00 34.98 O ATOM 1360 C3' DA C 6 7.003 4.326 3.462 1.00 35.58 C ATOM 1361 O3' DA C 6 6.744 3.228 4.338 1.00 37.00 O ATOM 1362 C2' DA C 6 6.927 3.981 1.981 1.00 35.97 C ATOM 1363 C1' DA C 6 5.495 4.337 1.633 1.00 35.87 C ATOM 1364 N9 DA C 6 5.241 4.649 0.228 1.00 35.19 N ATOM 1365 C8 DA C 6 5.793 5.656 -0.525 1.00 35.17 C ATOM 1366 N7 DA C 6 5.353 5.695 -1.759 1.00 34.22 N ATOM 1367 C5 DA C 6 4.453 4.640 -1.826 1.00 34.63 C ATOM 1368 C6 DA C 6 3.653 4.145 -2.869 1.00 33.88 C ATOM 1369 N6 DA C 6 3.627 4.671 -4.095 1.00 34.94 N ATOM 1370 N1 DA C 6 2.865 3.079 -2.605 1.00 34.39 N ATOM 1371 C2 DA C 6 2.896 2.548 -1.375 1.00 34.32 C ATOM 1372 N3 DA C 6 3.609 2.922 -0.314 1.00 35.24 N ATOM 1373 C4 DA C 6 4.377 3.985 -0.610 1.00 34.82 C ATOM 1374 P DT C 7 7.752 1.987 4.442 1.00 37.81 P ATOM 1375 OP1 DT C 7 7.709 1.493 5.832 1.00 38.56 O ATOM 1376 OP2 DT C 7 9.047 2.364 3.816 1.00 38.36 O ATOM 1377 O5' DT C 7 7.064 0.908 3.493 1.00 35.37 O ATOM 1378 C5' DT C 7 5.741 0.437 3.790 1.00 33.04 C ATOM 1379 C4' DT C 7 5.255 -0.491 2.703 1.00 32.66 C ATOM 1380 O4' DT C 7 5.146 0.231 1.460 1.00 32.16 O ATOM 1381 C3' DT C 7 6.152 -1.701 2.420 1.00 32.04 C ATOM 1382 O3' DT C 7 5.352 -2.870 2.615 1.00 30.84 O ATOM 1383 C2' DT C 7 6.623 -1.490 0.986 1.00 31.33 C ATOM 1384 C1' DT C 7 5.517 -0.629 0.404 1.00 32.27 C ATOM 1385 N1 DT C 7 5.846 0.221 -0.761 1.00 31.09 N ATOM 1386 C2 DT C 7 5.096 0.096 -1.912 1.00 31.56 C ATOM 1387 O2 DT C 7 4.212 -0.732 -2.049 1.00 32.13 O ATOM 1388 N3 DT C 7 5.432 0.974 -2.912 1.00 32.03 N ATOM 1389 C4 DT C 7 6.408 1.950 -2.874 1.00 31.76 C ATOM 1390 O4 DT C 7 6.591 2.665 -3.854 1.00 33.88 O ATOM 1391 C5 DT C 7 7.143 2.039 -1.632 1.00 32.33 C ATOM 1392 C7 DT C 7 8.223 3.067 -1.499 1.00 33.28 C ATOM 1393 C6 DT C 7 6.817 1.193 -0.645 1.00 31.62 C ATOM 1394 P DG C 8 6.016 -4.324 2.688 1.00 30.69 P ATOM 1395 OP1 DG C 8 5.122 -5.185 3.497 1.00 33.39 O ATOM 1396 OP2 DG C 8 7.442 -4.187 3.054 1.00 31.93 O ATOM 1397 O5' DG C 8 5.923 -4.840 1.189 1.00 30.72 O ATOM 1398 C5' DG C 8 4.641 -4.940 0.550 1.00 31.38 C ATOM 1399 C4' DG C 8 4.806 -5.316 -0.903 1.00 32.75 C ATOM 1400 O4' DG C 8 5.124 -4.154 -1.699 1.00 32.02 O ATOM 1401 C3' DG C 8 5.896 -6.353 -1.189 1.00 33.82 C ATOM 1402 O3' DG C 8 5.203 -7.426 -1.832 1.00 36.67 O ATOM 1403 C2' DG C 8 6.921 -5.595 -2.021 1.00 32.59 C ATOM 1404 C1' DG C 8 6.092 -4.505 -2.670 1.00 31.42 C ATOM 1405 N9 DG C 8 6.783 -3.280 -3.070 1.00 30.20 N ATOM 1406 C8 DG C 8 7.652 -2.522 -2.322 1.00 29.87 C ATOM 1407 N7 DG C 8 8.063 -1.448 -2.944 1.00 29.11 N ATOM 1408 C5 DG C 8 7.405 -1.487 -4.166 1.00 28.48 C ATOM 1409 C6 DG C 8 7.453 -0.589 -5.266 1.00 28.97 C ATOM 1410 O6 DG C 8 8.106 0.458 -5.383 1.00 28.33 O ATOM 1411 N1 DG C 8 6.634 -1.013 -6.308 1.00 27.83 N ATOM 1412 C2 DG C 8 5.866 -2.152 -6.294 1.00 28.49 C ATOM 1413 N2 DG C 8 5.137 -2.392 -7.393 1.00 28.35 N ATOM 1414 N3 DG C 8 5.808 -2.992 -5.272 1.00 29.33 N ATOM 1415 C4 DG C 8 6.608 -2.609 -4.257 1.00 28.48 C ATOM 1416 P DC C 9 5.948 -8.752 -2.270 1.00 35.77 P ATOM 1417 OP1 DC C 9 5.027 -9.874 -2.016 1.00 38.81 O ATOM 1418 OP2 DC C 9 7.311 -8.750 -1.702 1.00 36.57 O ATOM 1419 O5' DC C 9 6.042 -8.570 -3.844 1.00 35.20 O ATOM 1420 C5' DC C 9 4.844 -8.419 -4.625 1.00 33.82 C ATOM 1421 C4' DC C 9 5.222 -8.002 -6.024 1.00 33.68 C ATOM 1422 O4' DC C 9 5.840 -6.704 -5.979 1.00 33.04 O ATOM 1423 C3' DC C 9 6.243 -8.925 -6.692 1.00 33.67 C ATOM 1424 O3' DC C 9 5.525 -9.694 -7.649 1.00 33.33 O ATOM 1425 C2' DC C 9 7.281 -7.988 -7.298 1.00 33.50 C ATOM 1426 C1' DC C 9 6.710 -6.592 -7.082 1.00 32.10 C ATOM 1427 N1 DC C 9 7.693 -5.544 -6.763 1.00 31.04 N ATOM 1428 C2 DC C 9 7.924 -4.533 -7.700 1.00 28.56 C ATOM 1429 O2 DC C 9 7.319 -4.568 -8.778 1.00 30.35 O ATOM 1430 N3 DC C 9 8.796 -3.542 -7.404 1.00 26.56 N ATOM 1431 C4 DC C 9 9.436 -3.546 -6.232 1.00 27.11 C ATOM 1432 N4 DC C 9 10.296 -2.555 -5.988 1.00 26.90 N ATOM 1433 C5 DC C 9 9.229 -4.572 -5.263 1.00 26.74 C ATOM 1434 C6 DC C 9 8.351 -5.538 -5.564 1.00 27.81 C ATOM 1435 P DG C 10 6.150 -11.019 -8.268 1.00 33.09 P ATOM 1436 OP1 DG C 10 5.020 -11.883 -8.678 1.00 34.40 O ATOM 1437 OP2 DG C 10 7.166 -11.558 -7.341 1.00 31.89 O ATOM 1438 O5' DG C 10 6.881 -10.478 -9.570 1.00 30.96 O ATOM 1439 C5' DG C 10 6.092 -9.985 -10.662 1.00 32.13 C ATOM 1440 C4' DG C 10 6.987 -9.371 -11.712 1.00 31.53 C ATOM 1441 O4' DG C 10 7.644 -8.201 -11.164 1.00 31.10 O ATOM 1442 C3' DG C 10 8.106 -10.281 -12.238 1.00 31.53 C ATOM 1443 O3' DG C 10 8.128 -10.143 -13.660 1.00 33.73 O ATOM 1444 C2' DG C 10 9.348 -9.732 -11.563 1.00 31.05 C ATOM 1445 C1' DG C 10 9.027 -8.257 -11.470 1.00 29.73 C ATOM 1446 N9 DG C 10 9.748 -7.537 -10.426 1.00 29.66 N ATOM 1447 C8 DG C 10 10.051 -7.988 -9.163 1.00 30.33 C ATOM 1448 N7 DG C 10 10.712 -7.114 -8.453 1.00 28.77 N ATOM 1449 C5 DG C 10 10.853 -6.022 -9.296 1.00 27.25 C ATOM 1450 C6 DG C 10 11.474 -4.770 -9.076 1.00 27.85 C ATOM 1451 O6 DG C 10 12.047 -4.364 -8.058 1.00 28.87 O ATOM 1452 N1 DG C 10 11.395 -3.954 -10.202 1.00 27.37 N ATOM 1453 C2 DG C 10 10.792 -4.303 -11.388 1.00 27.22 C ATOM 1454 N2 DG C 10 10.814 -3.384 -12.364 1.00 28.34 N ATOM 1455 N3 DG C 10 10.202 -5.465 -11.601 1.00 27.67 N ATOM 1456 C4 DG C 10 10.271 -6.271 -10.521 1.00 28.91 C ATOM 1457 P DG C 11 9.171 -10.927 -14.594 1.00 34.52 P ATOM 1458 OP1 DG C 11 8.378 -11.690 -15.574 1.00 35.58 O ATOM 1459 OP2 DG C 11 10.145 -11.663 -13.749 1.00 35.86 O ATOM 1460 O5' DG C 11 9.904 -9.719 -15.326 1.00 33.13 O ATOM 1461 C5' DG C 11 9.143 -8.699 -15.992 1.00 33.70 C ATOM 1462 C4' DG C 11 10.039 -7.579 -16.469 1.00 34.02 C ATOM 1463 O4' DG C 11 10.617 -6.873 -15.342 1.00 32.92 O ATOM 1464 C3' DG C 11 11.220 -8.022 -17.329 1.00 35.20 C ATOM 1465 O3' DG C 11 11.438 -7.007 -18.312 1.00 37.37 O ATOM 1466 C2' DG C 11 12.353 -8.125 -16.322 1.00 33.26 C ATOM 1467 C1' DG C 11 12.037 -6.975 -15.380 1.00 32.06 C ATOM 1468 N9 DG C 11 12.510 -7.150 -14.010 1.00 30.59 N ATOM 1469 C8 DG C 11 12.298 -8.237 -13.197 1.00 29.66 C ATOM 1470 N7 DG C 11 12.829 -8.101 -12.011 1.00 28.80 N ATOM 1471 C5 DG C 11 13.415 -6.844 -12.039 1.00 28.40 C ATOM 1472 C6 DG C 11 14.141 -6.147 -11.038 1.00 28.49 C ATOM 1473 O6 DG C 11 14.419 -6.514 -9.889 1.00 29.61 O ATOM 1474 N1 DG C 11 14.574 -4.907 -11.492 1.00 28.73 N ATOM 1475 C2 DG C 11 14.320 -4.390 -12.741 1.00 28.24 C ATOM 1476 N2 DG C 11 14.804 -3.167 -12.984 1.00 26.97 N ATOM 1477 N3 DG C 11 13.650 -5.032 -13.684 1.00 27.43 N ATOM 1478 C4 DG C 11 13.230 -6.244 -13.267 1.00 28.57 C ATOM 1479 P DT C 12 12.558 -7.177 -19.437 1.00 41.32 P ATOM 1480 OP1 DT C 12 12.094 -6.430 -20.635 1.00 40.52 O ATOM 1481 OP2 DT C 12 12.909 -8.612 -19.537 1.00 38.51 O ATOM 1482 O5' DT C 12 13.812 -6.418 -18.809 1.00 38.76 O ATOM 1483 C5' DT C 12 13.744 -5.007 -18.537 1.00 36.94 C ATOM 1484 C4' DT C 12 14.976 -4.553 -17.791 1.00 35.59 C ATOM 1485 O4' DT C 12 15.054 -5.200 -16.505 1.00 32.76 O ATOM 1486 C3' DT C 12 16.308 -4.837 -18.491 1.00 35.97 C ATOM 1487 O3' DT C 12 16.841 -3.567 -18.867 1.00 36.68 O ATOM 1488 C2' DT C 12 17.145 -5.576 -17.449 1.00 33.70 C ATOM 1489 C1' DT C 12 16.416 -5.303 -16.146 1.00 32.24 C ATOM 1490 N1 DT C 12 16.515 -6.354 -15.113 1.00 30.48 N ATOM 1491 C2 DT C 12 17.087 -6.046 -13.898 1.00 29.79 C ATOM 1492 O2 DT C 12 17.562 -4.952 -13.641 1.00 28.90 O ATOM 1493 N3 DT C 12 17.081 -7.074 -12.986 1.00 29.65 N ATOM 1494 C4 DT C 12 16.552 -8.340 -13.157 1.00 29.59 C ATOM 1495 O4 DT C 12 16.611 -9.155 -12.241 1.00 28.13 O ATOM 1496 C5 DT C 12 15.958 -8.591 -14.454 1.00 29.43 C ATOM 1497 C7 DT C 12 15.386 -9.943 -14.744 1.00 29.24 C ATOM 1498 C6 DT C 12 15.960 -7.595 -15.350 1.00 29.30 C ATOM 1499 P DT C 13 18.105 -3.458 -19.826 1.00 40.57 P ATOM 1500 OP1 DT C 13 17.987 -2.178 -20.574 1.00 38.66 O ATOM 1501 OP2 DT C 13 18.269 -4.745 -20.545 1.00 37.04 O ATOM 1502 O5' DT C 13 19.322 -3.294 -18.811 1.00 38.23 O ATOM 1503 C5' DT C 13 19.366 -2.200 -17.873 1.00 37.58 C ATOM 1504 C4' DT C 13 20.555 -2.351 -16.953 1.00 39.58 C ATOM 1505 O4' DT C 13 20.316 -3.427 -16.007 1.00 37.05 O ATOM 1506 C3' DT C 13 21.869 -2.705 -17.657 1.00 39.72 C ATOM 1507 O3' DT C 13 22.948 -2.040 -16.996 1.00 44.86 O ATOM 1508 C2' DT C 13 21.972 -4.204 -17.444 1.00 38.03 C ATOM 1509 C1' DT C 13 21.439 -4.289 -16.024 1.00 35.70 C ATOM 1510 N1 DT C 13 21.018 -5.610 -15.503 1.00 33.23 N ATOM 1511 C2 DT C 13 21.206 -5.848 -14.156 1.00 31.42 C ATOM 1512 O2 DT C 13 21.696 -5.031 -13.394 1.00 31.19 O ATOM 1513 N3 DT C 13 20.790 -7.083 -13.731 1.00 29.18 N ATOM 1514 C4 DT C 13 20.216 -8.078 -14.493 1.00 28.73 C ATOM 1515 O4 DT C 13 19.892 -9.135 -13.967 1.00 30.63 O ATOM 1516 C5 DT C 13 20.044 -7.762 -15.896 1.00 29.14 C ATOM 1517 C7 DT C 13 19.434 -8.784 -16.801 1.00 28.79 C ATOM 1518 C6 DT C 13 20.446 -6.559 -16.323 1.00 29.75 C ATOM 1519 P DG C 14 23.632 -0.740 -17.642 1.00 47.27 P ATOM 1520 OP1 DG C 14 22.585 0.293 -17.821 1.00 46.29 O ATOM 1521 OP2 DG C 14 24.455 -1.184 -18.791 1.00 45.54 O ATOM 1522 O5' DG C 14 24.556 -0.215 -16.461 1.00 43.96 O ATOM 1523 C5' DG C 14 23.964 0.232 -15.235 1.00 45.34 C ATOM 1524 C4' DG C 14 24.897 -0.011 -14.072 1.00 47.75 C ATOM 1525 O4' DG C 14 24.858 -1.397 -13.658 1.00 47.28 O ATOM 1526 C3' DG C 14 26.370 0.292 -14.320 1.00 46.73 C ATOM 1527 O3' DG C 14 26.850 0.739 -13.051 1.00 48.49 O ATOM 1528 C2' DG C 14 26.934 -1.050 -14.755 1.00 43.96 C ATOM 1529 C1' DG C 14 26.075 -2.055 -13.986 1.00 43.76 C ATOM 1530 N9 DG C 14 25.719 -3.292 -14.671 1.00 41.38 N ATOM 1531 C8 DG C 14 25.559 -3.493 -16.020 1.00 41.52 C ATOM 1532 N7 DG C 14 25.181 -4.707 -16.315 1.00 42.01 N ATOM 1533 C5 DG C 14 25.044 -5.333 -15.085 1.00 38.87 C ATOM 1534 C6 DG C 14 24.654 -6.661 -14.767 1.00 39.24 C ATOM 1535 O6 DG C 14 24.326 -7.573 -15.535 1.00 43.34 O ATOM 1536 N1 DG C 14 24.670 -6.884 -13.394 1.00 37.61 N ATOM 1537 C2 DG C 14 25.010 -5.951 -12.446 1.00 38.48 C ATOM 1538 N2 DG C 14 24.969 -6.360 -11.169 1.00 36.25 N ATOM 1539 N3 DG C 14 25.372 -4.709 -12.730 1.00 38.26 N ATOM 1540 C4 DG C 14 25.371 -4.473 -14.059 1.00 40.03 C ATOM 1541 P DG C 15 28.315 1.323 -12.884 1.00 51.18 P ATOM 1542 OP1 DG C 15 28.263 2.331 -11.794 1.00 51.18 O ATOM 1543 OP2 DG C 15 28.837 1.687 -14.229 1.00 47.50 O ATOM 1544 O5' DG C 15 29.134 0.072 -12.335 1.00 47.28 O ATOM 1545 C5' DG C 15 28.704 -0.624 -11.149 1.00 44.10 C ATOM 1546 C4' DG C 15 29.476 -1.912 -10.995 1.00 41.68 C ATOM 1547 O4' DG C 15 28.936 -2.926 -11.877 1.00 39.20 O ATOM 1548 C3' DG C 15 30.964 -1.813 -11.340 1.00 41.72 C ATOM 1549 O3' DG C 15 31.674 -2.620 -10.400 1.00 42.60 O ATOM 1550 C2' DG C 15 31.040 -2.427 -12.727 1.00 39.39 C ATOM 1551 C1' DG C 15 30.016 -3.529 -12.568 1.00 38.62 C ATOM 1552 N9 DG C 15 29.493 -4.151 -13.778 1.00 37.14 N ATOM 1553 C8 DG C 15 29.507 -3.660 -15.061 1.00 37.47 C ATOM 1554 N7 DG C 15 28.967 -4.475 -15.926 1.00 38.71 N ATOM 1555 C5 DG C 15 28.579 -5.572 -15.169 1.00 37.07 C ATOM 1556 C6 DG C 15 27.947 -6.781 -15.559 1.00 37.24 C ATOM 1557 O6 DG C 15 27.584 -7.132 -16.687 1.00 38.48 O ATOM 1558 N1 DG C 15 27.741 -7.625 -14.472 1.00 37.48 N ATOM 1559 C2 DG C 15 28.104 -7.346 -13.176 1.00 36.89 C ATOM 1560 N2 DG C 15 27.827 -8.288 -12.263 1.00 35.14 N ATOM 1561 N3 DG C 15 28.702 -6.226 -12.803 1.00 35.57 N ATOM 1562 C4 DG C 15 28.904 -5.390 -13.843 1.00 36.89 C ATOM 1563 P DA C 16 32.942 -2.043 -9.662 1.00 42.07 P ATOM 1564 OP1 DA C 16 32.533 -0.813 -8.949 1.00 42.54 O ATOM 1565 OP2 DA C 16 34.050 -1.999 -10.646 1.00 42.34 O ATOM 1566 O5' DA C 16 33.265 -3.173 -8.588 1.00 41.27 O ATOM 1567 C5' DA C 16 32.270 -3.649 -7.664 1.00 40.91 C ATOM 1568 C4' DA C 16 32.374 -5.148 -7.517 1.00 40.84 C ATOM 1569 O4' DA C 16 31.903 -5.795 -8.722 1.00 41.87 O ATOM 1570 C3' DA C 16 33.786 -5.681 -7.278 1.00 43.05 C ATOM 1571 O3' DA C 16 33.708 -6.713 -6.292 1.00 45.18 O ATOM 1572 C2' DA C 16 34.225 -6.177 -8.648 1.00 43.00 C ATOM 1573 C1' DA C 16 32.915 -6.619 -9.289 1.00 43.26 C ATOM 1574 N9 DA C 16 32.815 -6.491 -10.745 1.00 42.48 N ATOM 1575 C8 DA C 16 33.236 -5.452 -11.539 1.00 42.07 C ATOM 1576 N7 DA C 16 32.945 -5.606 -12.809 1.00 41.58 N ATOM 1577 C5 DA C 16 32.257 -6.810 -12.850 1.00 40.63 C ATOM 1578 C6 DA C 16 31.674 -7.532 -13.907 1.00 41.27 C ATOM 1579 N6 DA C 16 31.694 -7.129 -15.179 1.00 42.62 N ATOM 1580 N1 DA C 16 31.081 -8.709 -13.612 1.00 41.20 N ATOM 1581 C2 DA C 16 31.061 -9.115 -12.335 1.00 41.86 C ATOM 1582 N3 DA C 16 31.569 -8.522 -11.255 1.00 42.85 N ATOM 1583 C4 DA C 16 32.162 -7.362 -11.585 1.00 41.47 C ATOM 1584 P DG C 17 35.034 -7.289 -5.619 1.00 46.59 P ATOM 1585 OP1 DG C 17 34.691 -7.687 -4.236 1.00 47.90 O ATOM 1586 OP2 DG C 17 36.144 -6.329 -5.865 1.00 46.32 O ATOM 1587 O5' DG C 17 35.321 -8.597 -6.475 1.00 45.31 O ATOM 1588 C5' DG C 17 34.392 -9.683 -6.451 1.00 47.39 C ATOM 1589 C4' DG C 17 34.690 -10.645 -7.576 1.00 50.44 C ATOM 1590 O4' DG C 17 34.447 -10.004 -8.850 1.00 50.80 O ATOM 1591 C3' DG C 17 36.131 -11.176 -7.624 1.00 51.68 C ATOM 1592 O3' DG C 17 36.050 -12.593 -7.392 1.00 54.50 O ATOM 1593 C2' DG C 17 36.663 -10.662 -8.957 1.00 51.77 C ATOM 1594 C1' DG C 17 35.397 -10.490 -9.769 1.00 49.65 C ATOM 1595 N9 DG C 17 35.477 -9.545 -10.876 1.00 46.47 N ATOM 1596 C8 DG C 17 36.055 -8.297 -10.876 1.00 45.76 C ATOM 1597 N7 DG C 17 35.957 -7.688 -12.026 1.00 43.98 N ATOM 1598 C5 DG C 17 35.266 -8.583 -12.831 1.00 43.27 C ATOM 1599 C6 DG C 17 34.864 -8.478 -14.187 1.00 43.82 C ATOM 1600 O6 DG C 17 35.034 -7.537 -14.972 1.00 47.42 O ATOM 1601 N1 DG C 17 34.194 -9.622 -14.611 1.00 44.06 N ATOM 1602 C2 DG C 17 33.934 -10.721 -13.829 1.00 42.86 C ATOM 1603 N2 DG C 17 33.267 -11.726 -14.417 1.00 42.70 N ATOM 1604 N3 DG C 17 34.302 -10.829 -12.564 1.00 43.66 N ATOM 1605 C4 DG C 17 34.965 -9.734 -12.135 1.00 44.20 C ATOM 1606 P DA C 18 37.126 -13.625 -7.977 1.00 58.21 P ATOM 1607 OP1 DA C 18 37.054 -14.863 -7.159 1.00 62.25 O ATOM 1608 OP2 DA C 18 38.429 -12.931 -8.146 1.00 58.49 O ATOM 1609 O5' DA C 18 36.531 -13.977 -9.408 1.00 58.96 O ATOM 1610 C5' DA C 18 35.343 -14.777 -9.523 1.00 56.66 C ATOM 1611 C4' DA C 18 35.298 -15.387 -10.901 1.00 55.53 C ATOM 1612 O4' DA C 18 35.331 -14.316 -11.873 1.00 54.46 O ATOM 1613 C3' DA C 18 36.485 -16.294 -11.226 1.00 56.51 C ATOM 1614 O3' DA C 18 36.012 -17.446 -11.933 1.00 57.09 O ATOM 1615 C2' DA C 18 37.409 -15.391 -12.028 1.00 55.81 C ATOM 1616 C1' DA C 18 36.430 -14.487 -12.753 1.00 53.13 C ATOM 1617 N9 DA C 18 36.939 -13.160 -13.093 1.00 48.04 N ATOM 1618 C8 DA C 18 37.618 -12.273 -12.293 1.00 46.09 C ATOM 1619 N7 DA C 18 37.930 -11.152 -12.895 1.00 46.09 N ATOM 1620 C5 DA C 18 37.416 -11.306 -14.175 1.00 44.32 C ATOM 1621 C6 DA C 18 37.418 -10.466 -15.304 1.00 43.38 C ATOM 1622 N6 DA C 18 37.973 -9.253 -15.324 1.00 45.24 N ATOM 1623 N1 DA C 18 36.824 -10.923 -16.428 1.00 43.65 N ATOM 1624 C2 DA C 18 36.258 -12.139 -16.406 1.00 45.77 C ATOM 1625 N3 DA C 18 36.199 -13.022 -15.410 1.00 43.77 N ATOM 1626 C4 DA C 18 36.801 -12.537 -14.310 1.00 44.82 C ATOM 1627 P DA C 19 37.031 -18.557 -12.480 1.00 59.62 P ATOM 1628 OP1 DA C 19 36.349 -19.875 -12.421 1.00 63.63 O ATOM 1629 OP2 DA C 19 38.348 -18.367 -11.819 1.00 56.94 O ATOM 1630 O5' DA C 19 37.156 -18.185 -14.019 1.00 60.15 O ATOM 1631 C5' DA C 19 35.987 -18.145 -14.849 1.00 59.65 C ATOM 1632 C4' DA C 19 36.361 -17.577 -16.195 1.00 60.82 C ATOM 1633 O4' DA C 19 36.868 -16.236 -16.019 1.00 58.24 O ATOM 1634 C3' DA C 19 37.461 -18.360 -16.918 1.00 61.83 C ATOM 1635 O3' DA C 19 36.971 -18.778 -18.195 1.00 68.75 O ATOM 1636 C2' DA C 19 38.624 -17.383 -17.009 1.00 58.00 C ATOM 1637 C1' DA C 19 37.941 -16.037 -16.913 1.00 55.62 C ATOM 1638 N9 DA C 19 38.758 -14.945 -16.388 1.00 51.90 N ATOM 1639 C8 DA C 19 39.363 -14.853 -15.158 1.00 50.37 C ATOM 1640 N7 DA C 19 40.010 -13.729 -14.971 1.00 49.19 N ATOM 1641 C5 DA C 19 39.806 -13.026 -16.150 1.00 48.16 C ATOM 1642 C6 DA C 19 40.230 -11.757 -16.581 1.00 46.22 C ATOM 1643 N6 DA C 19 40.978 -10.936 -15.842 1.00 47.73 N ATOM 1644 N1 DA C 19 39.849 -11.351 -17.813 1.00 48.48 N ATOM 1645 C2 DA C 19 39.092 -12.173 -18.554 1.00 49.40 C ATOM 1646 N3 DA C 19 38.636 -13.390 -18.260 1.00 49.26 N ATOM 1647 C4 DA C 19 39.034 -13.762 -17.031 1.00 49.71 C ATOM 1648 P DT C 20 37.830 -19.767 -19.106 1.00 72.36 P ATOM 1649 OP1 DT C 20 36.889 -20.689 -19.793 1.00 73.48 O ATOM 1650 OP2 DT C 20 38.930 -20.322 -18.275 1.00 75.96 O ATOM 1651 O5' DT C 20 38.450 -18.784 -20.195 1.00 72.43 O ATOM 1652 C5' DT C 20 37.587 -18.031 -21.066 1.00 72.88 C ATOM 1653 C4' DT C 20 38.366 -16.950 -21.777 1.00 72.35 C ATOM 1654 O4' DT C 20 38.960 -16.052 -20.814 1.00 71.16 O ATOM 1655 C3' DT C 20 39.514 -17.456 -22.657 1.00 75.32 C ATOM 1656 O3' DT C 20 39.299 -16.998 -23.995 1.00 84.11 O ATOM 1657 C2' DT C 20 40.764 -16.849 -22.038 1.00 72.61 C ATOM 1658 C1' DT C 20 40.217 -15.638 -21.308 1.00 69.66 C ATOM 1659 N1 DT C 20 41.021 -15.165 -20.160 1.00 64.77 N ATOM 1660 C2 DT C 20 41.531 -13.885 -20.192 1.00 63.29 C ATOM 1661 O2 DT C 20 41.365 -13.122 -21.130 1.00 64.86 O ATOM 1662 N3 DT C 20 42.251 -13.529 -19.079 1.00 61.47 N ATOM 1663 C4 DT C 20 42.504 -14.305 -17.964 1.00 58.56 C ATOM 1664 O4 DT C 20 43.169 -13.847 -17.039 1.00 58.11 O ATOM 1665 C5 DT C 20 41.934 -15.633 -17.994 1.00 59.61 C ATOM 1666 C7 DT C 20 42.156 -16.548 -16.830 1.00 57.42 C ATOM 1667 C6 DT C 20 41.230 -15.991 -19.076 1.00 61.42 C ATOM 1668 P DT C 21 40.105 -17.642 -25.217 1.00 90.21 P ATOM 1669 OP1 DT C 21 39.168 -17.773 -26.362 1.00 84.69 O ATOM 1670 OP2 DT C 21 40.834 -18.842 -24.719 1.00 89.45 O ATOM 1671 O5' DT C 21 41.171 -16.511 -25.567 1.00 89.86 O ATOM 1672 C5' DT C 21 40.781 -15.328 -26.288 1.00 88.71 C ATOM 1673 C4' DT C 21 41.909 -14.324 -26.273 1.00 87.03 C ATOM 1674 O4' DT C 21 42.282 -14.054 -24.905 1.00 84.90 O ATOM 1675 C3' DT C 21 43.189 -14.785 -26.983 1.00 87.14 C ATOM 1676 O3' DT C 21 43.476 -13.959 -28.119 1.00 91.62 O ATOM 1677 C2' DT C 21 44.277 -14.669 -25.925 1.00 84.68 C ATOM 1678 C1' DT C 21 43.658 -13.750 -24.886 1.00 81.86 C ATOM 1679 N1 DT C 21 44.146 -13.919 -23.497 1.00 74.61 N ATOM 1680 C2 DT C 21 44.634 -12.811 -22.836 1.00 71.20 C ATOM 1681 O2 DT C 21 44.681 -11.701 -23.337 1.00 73.38 O ATOM 1682 N3 DT C 21 45.070 -13.054 -21.557 1.00 68.55 N ATOM 1683 C4 DT C 21 45.066 -14.264 -20.889 1.00 67.29 C ATOM 1684 O4 DT C 21 45.491 -14.328 -19.738 1.00 64.77 O ATOM 1685 C5 DT C 21 44.537 -15.383 -21.640 1.00 67.33 C ATOM 1686 C7 DT C 21 44.487 -16.733 -20.997 1.00 69.23 C ATOM 1687 C6 DT C 21 44.107 -15.156 -22.888 1.00 69.76 C TER 1688 DT C 21 HETATM 1689 MG MG A 201 11.243 -18.092 0.931 1.00 30.67 MG HETATM 1690 O HOH A 301 7.898 -23.135 -16.088 1.00 43.71 O HETATM 1691 O HOH A 302 28.765 -11.827 3.037 1.00 29.59 O HETATM 1692 O HOH A 303 15.069 -23.901 0.671 1.00 27.26 O HETATM 1693 O HOH A 304 21.221 -1.834 17.826 1.00 35.99 O HETATM 1694 O HOH A 305 16.488 -6.585 19.184 1.00 54.36 O HETATM 1695 O HOH A 306 30.405 3.491 3.328 1.00 35.98 O HETATM 1696 O HOH A 307 9.401 -24.943 -14.935 1.00 39.52 O HETATM 1697 O HOH A 308 33.960 -0.796 3.098 1.00 42.73 O HETATM 1698 O HOH A 309 8.083 -14.465 -0.867 1.00 37.81 O HETATM 1699 O HOH A 310 10.774 -12.842 -0.972 1.00 42.26 O HETATM 1700 O HOH A 311 12.239 -2.338 -1.338 1.00 27.14 O HETATM 1701 O HOH A 312 25.071 5.807 3.180 1.00 38.17 O HETATM 1702 O HOH A 313 29.158 2.049 10.256 1.00 29.54 O HETATM 1703 O HOH A 314 12.570 -31.011 -4.530 1.00 42.29 O HETATM 1704 O HOH A 315 25.658 6.470 -5.709 1.00 48.34 O HETATM 1705 O HOH A 316 15.683 5.868 4.844 1.00 33.88 O HETATM 1706 O HOH A 317 32.325 -3.012 2.355 1.00 40.97 O HETATM 1707 O HOH A 318 20.167 -16.499 -6.529 1.00 41.92 O HETATM 1708 O HOH A 319 19.276 -31.233 -0.345 1.00 42.52 O HETATM 1709 O HOH A 320 4.299 -15.949 -15.837 1.00 45.61 O HETATM 1710 O HOH A 321 19.134 5.005 -1.685 1.00 40.21 O HETATM 1711 O HOH A 322 12.011 3.719 -8.120 1.00 49.47 O HETATM 1712 O HOH A 323 27.519 -7.684 0.177 1.00 35.35 O HETATM 1713 O HOH A 324 18.902 -7.140 -2.830 1.00 33.64 O HETATM 1714 O HOH A 325 9.940 -16.333 1.210 1.00 42.69 O HETATM 1715 O HOH A 326 25.631 -9.225 -0.923 1.00 35.10 O HETATM 1716 O HOH A 327 10.059 -19.295 2.695 1.00 39.45 O HETATM 1717 O HOH A 328 12.311 -17.372 3.099 1.00 36.55 O HETATM 1718 O HOH A 329 21.598 -16.416 8.080 1.00 53.33 O HETATM 1719 O HOH A 330 12.372 -14.765 2.837 1.00 49.41 O HETATM 1720 O HOH B 101 -6.020 -0.443 2.819 1.00 31.06 O HETATM 1721 O HOH B 102 20.204 -13.793 -5.678 1.00 26.81 O HETATM 1722 O HOH B 103 19.291 -2.121 -1.869 1.00 29.61 O HETATM 1723 O HOH B 104 20.943 -2.406 -10.077 1.00 38.63 O HETATM 1724 O HOH B 105 27.032 -5.130 -1.038 1.00 30.69 O HETATM 1725 O HOH B 106 14.261 -1.202 -5.261 1.00 31.08 O HETATM 1726 O HOH B 107 -6.019 4.782 -1.962 1.00 42.27 O HETATM 1727 O HOH B 108 2.252 1.777 2.049 1.00 37.79 O HETATM 1728 O HOH B 109 21.096 -8.357 -1.413 1.00 37.21 O HETATM 1729 O HOH B 110 11.831 -0.570 -14.952 1.00 41.98 O HETATM 1730 O HOH B 111 1.513 -3.540 -6.645 1.00 42.17 O HETATM 1731 O HOH B 112 16.273 0.227 -4.468 1.00 37.56 O HETATM 1732 O HOH B 113 -4.217 0.656 -7.208 1.00 44.88 O HETATM 1733 O HOH B 114 19.857 -4.832 -1.664 1.00 21.43 O HETATM 1734 O HOH B 115 24.601 -4.657 -8.352 1.00 30.24 O HETATM 1735 O HOH B 116 19.993 -9.954 -3.651 1.00 44.13 O HETATM 1736 O HOH B 117 21.460 -17.772 -8.652 1.00 37.39 O HETATM 1737 O HOH B 118 2.897 3.472 4.210 1.00 40.45 O HETATM 1738 O HOH B 119 22.899 -10.301 -1.048 1.00 43.33 O HETATM 1739 O HOH B 120 16.113 3.109 -4.629 1.00 55.36 O HETATM 1740 O HOH C 101 9.470 -10.546 -7.034 1.00 33.96 O HETATM 1741 O HOH C 102 8.342 -3.663 5.497 1.00 33.72 O HETATM 1742 O HOH C 103 18.947 -11.555 -14.555 1.00 38.06 O HETATM 1743 O HOH C 104 4.149 -13.483 -6.685 1.00 35.10 O HETATM 1744 O HOH C 105 26.152 -5.868 -18.607 1.00 45.20 O HETATM 1745 O HOH C 106 17.125 -11.829 -12.303 1.00 29.18 O HETATM 1746 O HOH C 107 12.873 -4.983 -5.502 1.00 28.71 O HETATM 1747 O HOH C 108 10.098 -0.810 -1.187 1.00 33.24 O HETATM 1748 O HOH C 109 1.842 -1.285 -0.732 1.00 36.38 O HETATM 1749 O HOH C 110 23.977 -7.653 -18.315 1.00 37.95 O HETATM 1750 O HOH C 111 2.316 6.065 3.258 1.00 34.96 O HETATM 1751 O HOH C 112 8.992 3.795 -4.848 1.00 38.78 O HETATM 1752 O HOH C 113 12.305 -2.810 -3.979 1.00 30.47 O HETATM 1753 O HOH C 114 12.755 -12.010 -14.864 1.00 38.37 O HETATM 1754 O HOH C 115 37.104 -5.187 -12.855 1.00 52.08 O HETATM 1755 O HOH C 116 1.271 11.064 2.894 1.00 56.24 O HETATM 1756 O HOH C 117 3.225 -4.448 -4.587 1.00 53.94 O HETATM 1757 O HOH C 118 10.021 0.569 1.077 1.00 39.42 O HETATM 1758 O HOH C 119 4.176 2.609 6.542 1.00 41.82 O CONECT 692 1689 CONECT 717 1689 CONECT 735 1689 CONECT 1689 692 717 735 MASTER 312 0 1 6 0 0 2 6 1755 3 4 14 END
Display Options:
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6kks
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
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
6kks
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Transcription factor WER 12-130 (named WER-R2R3)
Ligand Name
21-mer dsDNA
EC.Number
E.C.-.-.-.-
Resolution
2.15(Å)
Affinity (Kd/Ki/IC50)
Kd=51nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Nucleic Acids Res. Vol. 48: pp. 460-471
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):
Q9SEI0
Entrez Gene ID
NCBI Entrez Gene ID:
831327
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓