Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 16-JUL-06 2HOS TITLE PHAGE-SELECTED HOMEODOMAIN BOUND TO UNMODIFIED DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: 5'-D(*TP*TP*TP*TP*GP*CP*CP*AP*TP*GP*TP*AP*AP*TP*CP*CP*CP*CP COMPND 3 *GP*GP*A)-3'; COMPND 4 CHAIN: C; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 5'-D(*AP*TP*CP*CP*GP*GP*GP*GP*AP*TP*TP*AP*CP*AP*TP*GP*GP*CP COMPND 8 *AP*AP*A)-3'; COMPND 9 CHAIN: D; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 3; COMPND 12 MOLECULE: SEGMENTATION POLARITY HOMEOBOX PROTEIN ENGRAILED; COMPND 13 CHAIN: A, B; COMPND 14 FRAGMENT: ENGRAILED HOMEODOMAIN; COMPND 15 SYNONYM: HOMEOBOX; COMPND 16 ENGINEERED: YES; COMPND 17 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: COMMERCIAL SOLID PHASE SYNTHESIS; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: COMMERCIAL SOLID PHASE SYNTHESIS; SOURCE 7 MOL_ID: 3; SOURCE 8 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; SOURCE 9 ORGANISM_COMMON: FRUIT FLY; SOURCE 10 ORGANISM_TAXID: 7227; SOURCE 11 GENE: EN; SOURCE 12 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 13 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 14 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 15 EXPRESSION_SYSTEM_VECTOR_TYPE: PMAL-C2; SOURCE 16 EXPRESSION_SYSTEM_PLASMID: PMAL-ENHDF KEYWDS HOMEODOMAIN, PHAGE DISPLAY, TRANSCRIPTION-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR K.M.SHOKAT,M.E.FELDMAN,M.D.SIMON REVDAT 5 18-OCT-17 2HOS 1 REMARK REVDAT 4 13-JUL-11 2HOS 1 VERSN REVDAT 3 24-FEB-09 2HOS 1 VERSN REVDAT 2 08-MAY-07 2HOS 1 JRNL REVDAT 1 12-DEC-06 2HOS 0 JRNL AUTH M.D.SIMON,M.E.FELDMAN,D.RAUH,A.E.MARIS,D.E.WEMMER,K.M.SHOKAT JRNL TITL STRUCTURE AND PROPERTIES OF A RE-ENGINEERED HOMEODOMAIN JRNL TITL 2 PROTEIN-DNA INTERFACE. JRNL REF ACS CHEM.BIOL. V. 1 755 2006 JRNL REFN ISSN 1554-8929 JRNL PMID 17240973 JRNL DOI 10.1021/CB6003756 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.48 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 86.3 REMARK 3 NUMBER OF REFLECTIONS : 23285 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) : 0.225 REMARK 3 R VALUE (WORKING SET) : 0.223 REMARK 3 FREE R VALUE : 0.257 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.800 REMARK 3 FREE R VALUE TEST SET COUNT : 1710 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) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.95 REMARK 3 REFLECTION IN BIN (WORKING SET) : 966 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 49.53 REMARK 3 BIN R VALUE (WORKING SET) : 0.3590 REMARK 3 BIN FREE R VALUE SET COUNT : 83 REMARK 3 BIN FREE R VALUE : 0.4190 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 950 REMARK 3 NUCLEIC ACID ATOMS : 855 REMARK 3 HETEROGEN ATOMS : 31 REMARK 3 SOLVENT ATOMS : 129 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 42.35 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.96000 REMARK 3 B22 (A**2) : 0.40000 REMARK 3 B33 (A**2) : 0.55000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.01000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.164 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.154 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.124 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.198 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.950 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.931 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1977 ; 0.010 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2829 ; 1.702 ; 2.506 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 122 ; 4.613 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 59 ;30.522 ;22.203 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 205 ;14.034 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 18 ;18.710 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 299 ; 0.085 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1217 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 703 ; 0.185 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1224 ; 0.298 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 149 ; 0.156 ; 0.200 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): 61 ; 0.207 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 16 ; 0.091 ; 0.200 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): 598 ; 0.690 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 923 ; 1.132 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1853 ; 1.726 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1901 ; 2.667 ; 4.500 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 : 3 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 5 A 60 REMARK 3 ORIGIN FOR THE GROUP (A): 17.0160 29.5070 32.7710 REMARK 3 T TENSOR REMARK 3 T11: .0597 T22: -.2044 REMARK 3 T33: -.2127 T12: -.0314 REMARK 3 T13: .1222 T23: .0044 REMARK 3 L TENSOR REMARK 3 L11: 2.4584 L22: 12.6404 REMARK 3 L33: 6.3337 L12: -1.0140 REMARK 3 L13: -1.2035 L23: 1.3568 REMARK 3 S TENSOR REMARK 3 S11: .0802 S12: .0281 S13: -.0139 REMARK 3 S21: -.9454 S22: .0106 S23: -.8471 REMARK 3 S31: -.0608 S32: .2179 S33: -.0907 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : B 2 B 59 REMARK 3 ORIGIN FOR THE GROUP (A): -3.6340 20.2970 62.2880 REMARK 3 T TENSOR REMARK 3 T11: -.1067 T22: -.2502 REMARK 3 T33: -.2947 T12: -.0134 REMARK 3 T13: .0047 T23: -.0152 REMARK 3 L TENSOR REMARK 3 L11: 4.3849 L22: 11.4431 REMARK 3 L33: 3.3347 L12: -.1014 REMARK 3 L13: -1.9005 L23: -1.4333 REMARK 3 S TENSOR REMARK 3 S11: -.0930 S12: -.0582 S13: -.0542 REMARK 3 S21: .2189 S22: .0418 S23: .2225 REMARK 3 S31: .0915 S32: .0000 S33: .0511 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 2 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : C 1 C 21 REMARK 3 RESIDUE RANGE : D 22 D 42 REMARK 3 ORIGIN FOR THE GROUP (A): 25.1870 28.4350 47.8570 REMARK 3 T TENSOR REMARK 3 T11: .0264 T22: .2235 REMARK 3 T33: .1370 T12: -.1430 REMARK 3 T13: -.0708 T23: .0375 REMARK 3 L TENSOR REMARK 3 L11: 11.5285 L22: .4576 REMARK 3 L33: .5300 L12: 2.1346 REMARK 3 L13: -1.3477 L23: -.0972 REMARK 3 S TENSOR REMARK 3 S11: -.2852 S12: -.4113 S13: -.8804 REMARK 3 S21: -.1822 S22: .1812 S23: -.5553 REMARK 3 S31: -.0844 S32: .2985 S33: .1041 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 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 REMARK 4 REMARK 4 2HOS COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-JUL-06. REMARK 100 THE DEPOSITION ID IS D_1000038588. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 25-JUL-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.11588 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : KOHZU: DOUBLE CRYSTAL SI(111) REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO, HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK, HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28750 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 84.3 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.03500 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 33.7 REMARK 200 DATA REDUNDANCY IN SHELL : 2.30 REMARK 200 R MERGE FOR SHELL (I) : 0.39100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 2HDD REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 61.99 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.24 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: WELL: 20% PEG400, 100MM NH4OAC DROP: REMARK 280 0.5MM DNA PROTEIN COMPLEX, 0.55M NH4OAC, 3.5MM BIS-TRIS-PROPANE, REMARK 280 10% PEG-400, PH 7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 63.54850 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.51250 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.54850 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.51250 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: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D, A, B 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 -2 REMARK 465 SER A -1 REMARK 465 ASP A 0 REMARK 465 GLU A 1 REMARK 465 LYS A 2 REMARK 465 ARG A 3 REMARK 465 PRO A 4 REMARK 465 GLY B -2 REMARK 465 SER B -1 REMARK 465 ASP B 0 REMARK 465 GLU B 1 REMARK 465 THR B 60 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 LYS A 17 CD CE NZ REMARK 470 LYS A 58 CD CE NZ REMARK 470 THR A 60 CB OG1 CG2 REMARK 470 LYS B 2 CD CE NZ REMARK 470 LYS B 58 CB CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 DG C 20 O3' DG C 20 C3' -0.066 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DT C 1 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES REMARK 500 DT C 4 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DG C 5 O4' - C1' - N9 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC C 6 C3' - O3' - P ANGL. DEV. = 7.6 DEGREES REMARK 500 DC C 7 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DT C 11 C3' - C2' - C1' ANGL. DEV. = -5.2 DEGREES REMARK 500 DT C 11 O4' - C1' - N1 ANGL. DEV. = 3.3 DEGREES REMARK 500 DC C 15 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DC C 16 O4' - C1' - N1 ANGL. DEV. = 5.2 DEGREES REMARK 500 DC C 17 O4' - C1' - N1 ANGL. DEV. = 2.0 DEGREES REMARK 500 DC C 18 P - O5' - C5' ANGL. DEV. = -12.0 DEGREES REMARK 500 DA C 21 O4' - C1' - N9 ANGL. DEV. = 4.2 DEGREES REMARK 500 DA D 22 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DT D 23 O4' - C1' - N1 ANGL. DEV. = 2.7 DEGREES REMARK 500 DC D 24 O4' - C1' - N1 ANGL. DEV. = 5.3 DEGREES REMARK 500 DG D 26 C3' - C2' - C1' ANGL. DEV. = -5.7 DEGREES REMARK 500 DG D 26 O4' - C1' - N9 ANGL. DEV. = 7.3 DEGREES REMARK 500 DG D 28 O4' - C1' - N9 ANGL. DEV. = 2.2 DEGREES REMARK 500 DG D 29 O4' - C1' - N9 ANGL. DEV. = 3.0 DEGREES REMARK 500 DA D 30 C2 - N3 - C4 ANGL. DEV. = 3.1 DEGREES REMARK 500 DT D 31 O4' - C1' - N1 ANGL. DEV. = 2.9 DEGREES REMARK 500 DC D 34 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DT D 36 O4' - C1' - N1 ANGL. DEV. = 3.7 DEGREES REMARK 500 DG D 38 C3' - C2' - C1' ANGL. DEV. = -5.4 DEGREES REMARK 500 DG D 38 O4' - C1' - N9 ANGL. DEV. = 2.9 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3MO B 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL C 204 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2HDD RELATED DB: PDB REMARK 900 ENGRAILED HOMEODOMAIN Q50K MUTANT BOUND TO IDENTICAL DNA REMARK 900 RELATED ID: 2HOT RELATED DB: PDB DBREF 2HOS A 0 60 UNP P02836 HMEN_DROME 453 513 DBREF 2HOS B 0 60 UNP P02836 HMEN_DROME 453 513 DBREF 2HOS C 1 21 PDB 2HOS 2HOS 1 21 DBREF 2HOS D 22 42 PDB 2HOS 2HOS 22 42 SEQADV 2HOS GLY A -2 UNP P02836 CLONING ARTIFACT SEQADV 2HOS SER A -1 UNP P02836 CLONING ARTIFACT SEQADV 2HOS VAL A 45 UNP P02836 ILE 498 ENGINEERED SEQADV 2HOS GLY A 47 UNP P02836 ILE 500 ENGINEERED SEQADV 2HOS LYS A 50 UNP P02836 GLN 503 ENGINEERED SEQADV 2HOS MET A 52 UNP P02836 LYS 505 ENGINEERED SEQADV 2HOS GLY B -2 UNP P02836 CLONING ARTIFACT SEQADV 2HOS SER B -1 UNP P02836 CLONING ARTIFACT SEQADV 2HOS VAL B 45 UNP P02836 ILE 498 ENGINEERED SEQADV 2HOS GLY B 47 UNP P02836 ILE 500 ENGINEERED SEQADV 2HOS LYS B 50 UNP P02836 GLN 503 ENGINEERED SEQADV 2HOS MET B 52 UNP P02836 LYS 505 ENGINEERED SEQRES 1 C 21 DT DT DT DT DG DC DC DA DT DG DT DA DA SEQRES 2 C 21 DT DC DC DC DC DG DG DA SEQRES 1 D 21 DA DT DC DC DG DG DG DG DA DT DT DA DC SEQRES 2 D 21 DA DT DG DG DC DA DA DA SEQRES 1 A 63 GLY SER ASP GLU LYS ARG PRO ARG THR ALA PHE SER SER SEQRES 2 A 63 GLU GLN LEU ALA ARG LEU LYS ARG GLU PHE ASN GLU ASN SEQRES 3 A 63 ARG TYR LEU THR GLU ARG ARG ARG GLN GLN LEU SER SER SEQRES 4 A 63 GLU LEU GLY LEU ASN GLU ALA GLN VAL LYS GLY TRP PHE SEQRES 5 A 63 LYS ASN MET ARG ALA LYS ILE LYS LYS SER THR SEQRES 1 B 63 GLY SER ASP GLU LYS ARG PRO ARG THR ALA PHE SER SER SEQRES 2 B 63 GLU GLN LEU ALA ARG LEU LYS ARG GLU PHE ASN GLU ASN SEQRES 3 B 63 ARG TYR LEU THR GLU ARG ARG ARG GLN GLN LEU SER SER SEQRES 4 B 63 GLU LEU GLY LEU ASN GLU ALA GLN VAL LYS GLY TRP PHE SEQRES 5 B 63 LYS ASN MET ARG ALA LYS ILE LYS LYS SER THR HET GOL C 204 6 HET GOL A 201 6 HET 3MO B 301 7 HET GOL B 202 6 HET GOL B 203 6 HETNAM GOL GLYCEROL HETNAM 3MO 3-METHYL-1,3-OXAZOLIDIN-2-ONE HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL HETSYN 3MO 3-METHYL-2-OXAZOLIDINONE FORMUL 5 GOL 4(C3 H8 O3) FORMUL 7 3MO C4 H7 N O2 FORMUL 10 HOH *129(H2 O) HELIX 1 1 SER A 9 ASN A 23 1 15 HELIX 2 2 THR A 27 GLY A 39 1 13 HELIX 3 3 ASN A 41 THR A 60 1 20 HELIX 4 4 SER B 9 ASN B 23 1 15 HELIX 5 5 THR B 27 GLY B 39 1 13 HELIX 6 6 ASN B 41 SER B 59 1 19 SITE 1 AC1 5 SER B 9 GLU B 11 TYR B 25 LEU B 38 SITE 2 AC1 5 GOL C 204 SITE 1 AC2 7 ASN A 51 MET A 52 LYS A 55 HOH A 206 SITE 2 AC2 7 HOH A 209 DT C 11 DA C 12 SITE 1 AC3 4 PHE B 20 ASN B 21 ARG B 24 HOH B 308 SITE 1 AC4 5 ARG B 24 TYR B 25 GLU B 37 ARG B 53 SITE 2 AC4 5 HOH C 210 SITE 1 AC5 4 3MO B 301 DC C 18 DG C 19 HOH C 227 CRYST1 127.097 45.025 73.081 90.00 118.41 90.00 C 1 2 1 8 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 0.007868 0.000000 0.004256 0.00000 SCALE2 0.000000 0.022210 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015557 0.00000 ATOM 1 O5' DT C 1 54.140 40.529 40.276 1.00 32.17 O ATOM 2 C5' DT C 1 55.442 40.833 39.771 1.00 30.88 C ATOM 3 C4' DT C 1 56.498 39.759 40.015 1.00 30.61 C ATOM 4 O4' DT C 1 57.444 40.229 41.012 1.00 31.21 O ATOM 5 C3' DT C 1 56.003 38.409 40.514 1.00 31.67 C ATOM 6 O3' DT C 1 55.887 37.485 39.425 1.00 32.88 O ATOM 7 C2' DT C 1 57.091 37.950 41.472 1.00 29.34 C ATOM 8 C1' DT C 1 57.635 39.246 42.020 1.00 29.23 C ATOM 9 N1 DT C 1 57.094 39.688 43.384 1.00 27.47 N ATOM 10 C2 DT C 1 57.625 39.099 44.514 1.00 26.79 C ATOM 11 O2 DT C 1 58.476 38.235 44.473 1.00 27.36 O ATOM 12 N3 DT C 1 57.134 39.571 45.706 1.00 26.46 N ATOM 13 C4 DT C 1 56.174 40.550 45.892 1.00 27.30 C ATOM 14 O4 DT C 1 55.816 40.880 47.026 1.00 27.08 O ATOM 15 C5 DT C 1 55.652 41.127 44.664 1.00 27.01 C ATOM 16 C7 DT C 1 54.597 42.195 44.683 1.00 27.91 C ATOM 17 C6 DT C 1 56.132 40.675 43.495 1.00 26.83 C ATOM 18 P DT C 2 55.142 36.085 39.600 1.00 35.47 P ATOM 19 OP1 DT C 2 55.218 35.416 38.281 1.00 37.39 O ATOM 20 OP2 DT C 2 53.816 36.294 40.211 1.00 31.72 O ATOM 21 O5' DT C 2 56.055 35.284 40.636 1.00 33.87 O ATOM 22 C5' DT C 2 57.330 34.735 40.322 1.00 34.27 C ATOM 23 C4' DT C 2 57.746 33.838 41.481 1.00 35.27 C ATOM 24 O4' DT C 2 57.693 34.547 42.756 1.00 34.25 O ATOM 25 C3' DT C 2 56.840 32.630 41.671 1.00 35.98 C ATOM 26 O3' DT C 2 57.610 31.483 42.005 1.00 38.60 O ATOM 27 C2' DT C 2 55.897 33.022 42.809 1.00 34.60 C ATOM 28 C1' DT C 2 56.808 33.905 43.660 1.00 32.92 C ATOM 29 N1 DT C 2 56.076 34.936 44.481 1.00 32.39 N ATOM 30 C2 DT C 2 56.262 34.972 45.857 1.00 31.88 C ATOM 31 O2 DT C 2 56.996 34.214 46.472 1.00 31.36 O ATOM 32 N3 DT C 2 55.549 35.958 46.495 1.00 30.69 N ATOM 33 C4 DT C 2 54.697 36.889 45.924 1.00 31.62 C ATOM 34 O4 DT C 2 54.119 37.728 46.604 1.00 31.37 O ATOM 35 C5 DT C 2 54.543 36.799 44.488 1.00 31.82 C ATOM 36 C7 DT C 2 53.648 37.743 43.738 1.00 32.01 C ATOM 37 C6 DT C 2 55.229 35.838 43.850 1.00 32.29 C ATOM 38 P DT C 3 57.032 30.028 41.655 1.00 40.51 P ATOM 39 OP1 DT C 3 58.255 29.235 41.368 1.00 40.44 O ATOM 40 OP2 DT C 3 55.913 30.151 40.688 1.00 38.95 O ATOM 41 O5' DT C 3 56.355 29.508 43.006 1.00 41.99 O ATOM 42 C5' DT C 3 57.124 29.351 44.199 1.00 43.92 C ATOM 43 C4' DT C 3 56.173 29.334 45.374 1.00 44.70 C ATOM 44 O4' DT C 3 55.569 30.639 45.487 1.00 44.32 O ATOM 45 C3' DT C 3 55.011 28.373 45.209 1.00 46.14 C ATOM 46 O3' DT C 3 54.946 27.542 46.344 1.00 48.93 O ATOM 47 C2' DT C 3 53.767 29.257 45.095 1.00 45.87 C ATOM 48 C1' DT C 3 54.238 30.469 45.885 1.00 44.61 C ATOM 49 N1 DT C 3 53.514 31.759 45.659 1.00 44.73 N ATOM 50 C2 DT C 3 53.288 32.560 46.762 1.00 44.38 C ATOM 51 O2 DT C 3 53.648 32.265 47.891 1.00 44.07 O ATOM 52 N3 DT C 3 52.618 33.727 46.491 1.00 43.90 N ATOM 53 C4 DT C 3 52.167 34.173 45.263 1.00 44.08 C ATOM 54 O4 DT C 3 51.581 35.244 45.155 1.00 43.73 O ATOM 55 C5 DT C 3 52.438 33.292 44.143 1.00 44.57 C ATOM 56 C7 DT C 3 51.999 33.658 42.754 1.00 44.46 C ATOM 57 C6 DT C 3 53.087 32.141 44.394 1.00 44.80 C ATOM 58 P DT C 4 54.623 25.995 46.120 1.00 50.99 P ATOM 59 OP1 DT C 4 55.945 25.327 46.025 1.00 50.76 O ATOM 60 OP2 DT C 4 53.609 25.856 45.040 1.00 50.40 O ATOM 61 O5' DT C 4 53.881 25.582 47.474 1.00 52.10 O ATOM 62 C5' DT C 4 52.572 26.077 47.705 1.00 53.80 C ATOM 63 C4' DT C 4 52.554 26.939 48.953 1.00 54.98 C ATOM 64 O4' DT C 4 52.631 28.351 48.613 1.00 55.18 O ATOM 65 C3' DT C 4 51.284 26.728 49.759 1.00 55.50 C ATOM 66 O3' DT C 4 51.584 26.464 51.119 1.00 56.44 O ATOM 67 C2' DT C 4 50.495 28.020 49.629 1.00 55.13 C ATOM 68 C1' DT C 4 51.526 29.039 49.170 1.00 54.65 C ATOM 69 N1 DT C 4 50.905 29.969 48.182 1.00 54.63 N ATOM 70 C2 DT C 4 50.569 31.235 48.617 1.00 54.29 C ATOM 71 O2 DT C 4 50.772 31.632 49.754 1.00 54.35 O ATOM 72 N3 DT C 4 49.989 32.032 47.659 1.00 54.06 N ATOM 73 C4 DT C 4 49.714 31.697 46.345 1.00 54.07 C ATOM 74 O4 DT C 4 49.193 32.506 45.585 1.00 54.28 O ATOM 75 C5 DT C 4 50.080 30.349 45.951 1.00 54.21 C ATOM 76 C7 DT C 4 49.834 29.856 44.553 1.00 54.30 C ATOM 77 C6 DT C 4 50.645 29.558 46.880 1.00 54.46 C ATOM 78 P DG C 5 50.690 25.395 51.913 1.00 56.70 P ATOM 79 OP1 DG C 5 51.660 24.385 52.395 1.00 57.03 O ATOM 80 OP2 DG C 5 49.544 24.962 51.068 1.00 56.30 O ATOM 81 O5' DG C 5 50.093 26.199 53.172 1.00 55.94 O ATOM 82 C5' DG C 5 50.148 27.629 53.296 1.00 53.79 C ATOM 83 C4' DG C 5 48.766 28.255 53.439 1.00 52.12 C ATOM 84 O4' DG C 5 48.545 29.214 52.367 1.00 50.58 O ATOM 85 C3' DG C 5 47.562 27.304 53.406 1.00 52.39 C ATOM 86 O3' DG C 5 46.597 27.751 54.360 1.00 54.29 O ATOM 87 C2' DG C 5 47.035 27.485 51.984 1.00 50.52 C ATOM 88 C1' DG C 5 47.248 28.991 51.852 1.00 47.55 C ATOM 89 N9 DG C 5 47.096 29.557 50.507 1.00 46.90 N ATOM 90 C8 DG C 5 47.344 28.952 49.293 1.00 46.13 C ATOM 91 N7 DG C 5 47.105 29.724 48.269 1.00 45.98 N ATOM 92 C5 DG C 5 46.661 30.910 48.838 1.00 45.63 C ATOM 93 C6 DG C 5 46.250 32.116 48.224 1.00 45.89 C ATOM 94 O6 DG C 5 46.201 32.357 47.009 1.00 45.91 O ATOM 95 N1 DG C 5 45.872 33.086 49.161 1.00 45.76 N ATOM 96 C2 DG C 5 45.890 32.910 50.528 1.00 45.89 C ATOM 97 N2 DG C 5 45.496 33.945 51.284 1.00 45.58 N ATOM 98 N3 DG C 5 46.280 31.783 51.112 1.00 45.88 N ATOM 99 C4 DG C 5 46.648 30.828 50.213 1.00 46.30 C ATOM 100 P DC C 6 45.637 26.750 55.164 1.00 56.06 P ATOM 101 OP1 DC C 6 46.476 26.081 56.190 1.00 56.17 O ATOM 102 OP2 DC C 6 44.856 25.951 54.183 1.00 56.41 O ATOM 103 O5' DC C 6 44.587 27.726 55.890 1.00 55.48 O ATOM 104 C5' DC C 6 44.954 29.019 56.386 1.00 54.54 C ATOM 105 C4' DC C 6 44.029 30.097 55.856 1.00 53.64 C ATOM 106 O4' DC C 6 44.321 30.334 54.458 1.00 52.33 O ATOM 107 C3' DC C 6 42.543 29.750 55.946 1.00 54.33 C ATOM 108 O3' DC C 6 41.943 30.456 57.072 1.00 57.13 O ATOM 109 C2' DC C 6 41.974 30.028 54.550 1.00 52.51 C ATOM 110 C1' DC C 6 43.121 30.666 53.779 1.00 50.40 C ATOM 111 N1 DC C 6 43.247 30.277 52.320 1.00 49.10 N ATOM 112 C2 DC C 6 42.939 31.213 51.307 1.00 48.14 C ATOM 113 O2 DC C 6 42.547 32.349 51.603 1.00 47.90 O ATOM 114 N3 DC C 6 43.078 30.852 50.004 1.00 47.29 N ATOM 115 C4 DC C 6 43.500 29.625 49.691 1.00 48.27 C ATOM 116 N4 DC C 6 43.613 29.325 48.395 1.00 48.43 N ATOM 117 C5 DC C 6 43.821 28.656 50.695 1.00 48.25 C ATOM 118 C6 DC C 6 43.682 29.022 51.979 1.00 48.52 C ATOM 119 P DC C 7 40.582 31.315 57.070 1.00 59.13 P ATOM 120 OP1 DC C 7 40.326 31.751 58.461 1.00 59.76 O ATOM 121 OP2 DC C 7 39.515 30.558 56.365 1.00 58.79 O ATOM 122 O5' DC C 7 41.046 32.606 56.235 1.00 59.04 O ATOM 123 C5' DC C 7 40.335 33.839 56.293 1.00 58.04 C ATOM 124 C4' DC C 7 39.433 34.022 55.082 1.00 56.90 C ATOM 125 O4' DC C 7 39.866 33.245 53.928 1.00 55.59 O ATOM 126 C3' DC C 7 37.979 33.625 55.307 1.00 57.25 C ATOM 127 O3' DC C 7 37.202 34.651 54.737 1.00 58.87 O ATOM 128 C2' DC C 7 37.823 32.349 54.488 1.00 55.76 C ATOM 129 C1' DC C 7 38.703 32.739 53.306 1.00 53.48 C ATOM 130 N1 DC C 7 39.041 31.650 52.324 1.00 52.26 N ATOM 131 C2 DC C 7 39.181 31.968 50.966 1.00 50.56 C ATOM 132 O2 DC C 7 39.023 33.141 50.603 1.00 50.26 O ATOM 133 N3 DC C 7 39.489 30.975 50.089 1.00 50.08 N ATOM 134 C4 DC C 7 39.654 29.718 50.518 1.00 51.05 C ATOM 135 N4 DC C 7 39.953 28.769 49.625 1.00 51.18 N ATOM 136 C5 DC C 7 39.514 29.372 51.894 1.00 51.24 C ATOM 137 C6 DC C 7 39.209 30.358 52.748 1.00 52.07 C ATOM 138 P DA C 8 36.006 35.380 55.510 1.00 59.99 P ATOM 139 OP1 DA C 8 36.330 35.438 56.957 1.00 60.03 O ATOM 140 OP2 DA C 8 34.734 34.751 55.057 1.00 60.48 O ATOM 141 O5' DA C 8 36.098 36.855 54.866 1.00 58.79 O ATOM 142 C5' DA C 8 36.884 37.103 53.680 1.00 56.96 C ATOM 143 C4' DA C 8 36.061 37.235 52.396 1.00 55.62 C ATOM 144 O4' DA C 8 36.300 36.115 51.501 1.00 54.20 O ATOM 145 C3' DA C 8 34.545 37.353 52.531 1.00 55.50 C ATOM 146 O3' DA C 8 34.145 38.461 51.730 1.00 57.65 O ATOM 147 C2' DA C 8 33.999 36.022 52.003 1.00 53.63 C ATOM 148 C1' DA C 8 35.084 35.543 51.045 1.00 50.51 C ATOM 149 N9 DA C 8 35.302 34.097 51.049 1.00 49.42 N ATOM 150 C8 DA C 8 35.316 33.280 52.149 1.00 48.88 C ATOM 151 N7 DA C 8 35.551 32.019 51.885 1.00 48.26 N ATOM 152 C5 DA C 8 35.710 32.004 50.515 1.00 48.26 C ATOM 153 C6 DA C 8 35.981 30.957 49.615 1.00 48.67 C ATOM 154 N6 DA C 8 36.146 29.691 50.016 1.00 48.62 N ATOM 155 N1 DA C 8 36.073 31.265 48.298 1.00 48.62 N ATOM 156 C2 DA C 8 35.898 32.536 47.908 1.00 48.38 C ATOM 157 N3 DA C 8 35.643 33.605 48.666 1.00 48.49 N ATOM 158 C4 DA C 8 35.560 33.272 49.973 1.00 48.81 C ATOM 159 P DT C 9 32.631 38.991 51.614 1.00 59.25 P ATOM 160 OP1 DT C 9 32.699 40.470 51.662 1.00 59.55 O ATOM 161 OP2 DT C 9 31.742 38.240 52.543 1.00 58.57 O ATOM 162 O5' DT C 9 32.230 38.568 50.128 1.00 57.95 O ATOM 163 C5' DT C 9 33.153 38.727 49.048 1.00 56.01 C ATOM 164 C4' DT C 9 32.730 37.828 47.902 1.00 53.15 C ATOM 165 O4' DT C 9 33.041 36.445 48.213 1.00 52.23 O ATOM 166 C3' DT C 9 31.235 37.850 47.598 1.00 52.69 C ATOM 167 O3' DT C 9 31.102 38.150 46.213 1.00 52.79 O ATOM 168 C2' DT C 9 30.733 36.451 47.991 1.00 50.72 C ATOM 169 C1' DT C 9 31.984 35.628 47.732 1.00 48.41 C ATOM 170 N1 DT C 9 32.107 34.274 48.378 1.00 46.75 N ATOM 171 C2 DT C 9 32.505 33.220 47.578 1.00 45.93 C ATOM 172 O2 DT C 9 32.733 33.327 46.382 1.00 46.60 O ATOM 173 N3 DT C 9 32.624 32.019 48.227 1.00 44.25 N ATOM 174 C4 DT C 9 32.396 31.777 49.565 1.00 45.98 C ATOM 175 O4 DT C 9 32.534 30.657 50.042 1.00 47.01 O ATOM 176 C5 DT C 9 31.996 32.919 50.356 1.00 46.25 C ATOM 177 C7 DT C 9 31.724 32.758 51.827 1.00 46.31 C ATOM 178 C6 DT C 9 31.872 34.103 49.733 1.00 46.19 C ATOM 179 P DG C 10 29.671 38.269 45.516 1.00 54.23 P ATOM 180 OP1 DG C 10 29.774 39.343 44.495 1.00 53.92 O ATOM 181 OP2 DG C 10 28.621 38.315 46.561 1.00 54.28 O ATOM 182 O5' DG C 10 29.544 36.849 44.790 1.00 51.04 O ATOM 183 C5' DG C 10 30.437 36.516 43.729 1.00 47.45 C ATOM 184 C4' DG C 10 29.965 35.230 43.072 1.00 44.06 C ATOM 185 O4' DG C 10 30.171 34.135 43.995 1.00 43.60 O ATOM 186 C3' DG C 10 28.497 35.187 42.675 1.00 43.30 C ATOM 187 O3' DG C 10 28.466 34.675 41.337 1.00 42.49 O ATOM 188 C2' DG C 10 27.847 34.301 43.747 1.00 42.13 C ATOM 189 C1' DG C 10 28.992 33.409 44.216 1.00 38.65 C ATOM 190 N9 DG C 10 28.995 33.000 45.625 1.00 37.17 N ATOM 191 C8 DG C 10 28.708 33.746 46.740 1.00 36.90 C ATOM 192 N7 DG C 10 28.809 33.078 47.865 1.00 37.44 N ATOM 193 C5 DG C 10 29.177 31.795 47.464 1.00 37.09 C ATOM 194 C6 DG C 10 29.427 30.612 48.220 1.00 36.73 C ATOM 195 O6 DG C 10 29.377 30.447 49.446 1.00 36.90 O ATOM 196 N1 DG C 10 29.772 29.530 47.410 1.00 36.38 N ATOM 197 C2 DG C 10 29.871 29.588 46.042 1.00 37.04 C ATOM 198 N2 DG C 10 30.212 28.453 45.422 1.00 37.82 N ATOM 199 N3 DG C 10 29.647 30.684 45.321 1.00 36.62 N ATOM 200 C4 DG C 10 29.295 31.744 46.089 1.00 35.74 C ATOM 201 P DT C 11 27.128 34.548 40.477 1.00 43.17 P ATOM 202 OP1 DT C 11 27.478 34.609 39.043 1.00 43.93 O ATOM 203 OP2 DT C 11 26.100 35.462 41.032 1.00 43.95 O ATOM 204 O5' DT C 11 26.703 33.051 40.838 1.00 41.44 O ATOM 205 C5' DT C 11 27.444 31.922 40.364 1.00 38.72 C ATOM 206 C4' DT C 11 26.839 30.659 40.946 1.00 36.62 C ATOM 207 O4' DT C 11 27.122 30.657 42.366 1.00 35.78 O ATOM 208 C3' DT C 11 25.315 30.561 40.827 1.00 36.18 C ATOM 209 O3' DT C 11 24.874 29.247 40.484 1.00 34.88 O ATOM 210 C2' DT C 11 24.813 30.867 42.226 1.00 35.69 C ATOM 211 C1' DT C 11 25.946 30.200 42.986 1.00 36.03 C ATOM 212 N1 DT C 11 25.942 30.499 44.419 1.00 35.62 N ATOM 213 C2 DT C 11 26.302 29.477 45.262 1.00 35.18 C ATOM 214 O2 DT C 11 26.641 28.376 44.837 1.00 35.10 O ATOM 215 N3 DT C 11 26.257 29.813 46.591 1.00 33.91 N ATOM 216 C4 DT C 11 25.885 31.052 47.114 1.00 36.21 C ATOM 217 O4 DT C 11 25.876 31.282 48.323 1.00 35.74 O ATOM 218 C5 DT C 11 25.506 32.071 46.155 1.00 35.39 C ATOM 219 C7 DT C 11 25.088 33.443 46.605 1.00 35.72 C ATOM 220 C6 DT C 11 25.549 31.749 44.863 1.00 35.92 C ATOM 221 P DA C 12 24.200 28.974 39.075 1.00 36.47 P ATOM 222 OP1 DA C 12 25.120 29.415 38.011 1.00 35.38 O ATOM 223 OP2 DA C 12 22.791 29.439 39.147 1.00 35.12 O ATOM 224 O5' DA C 12 24.140 27.369 39.066 1.00 37.22 O ATOM 225 C5' DA C 12 25.325 26.594 39.327 1.00 37.31 C ATOM 226 C4' DA C 12 24.993 25.402 40.203 1.00 36.35 C ATOM 227 O4' DA C 12 24.948 25.843 41.573 1.00 36.58 O ATOM 228 C3' DA C 12 23.650 24.735 39.943 1.00 37.22 C ATOM 229 O3' DA C 12 23.840 23.339 40.087 1.00 38.52 O ATOM 230 C2' DA C 12 22.719 25.316 41.011 1.00 36.05 C ATOM 231 C1' DA C 12 23.693 25.538 42.157 1.00 33.97 C ATOM 232 N9 DA C 12 23.406 26.648 43.065 1.00 33.92 N ATOM 233 C8 DA C 12 22.967 27.903 42.738 1.00 32.77 C ATOM 234 N7 DA C 12 22.829 28.692 43.773 1.00 32.53 N ATOM 235 C5 DA C 12 23.199 27.913 44.843 1.00 32.55 C ATOM 236 C6 DA C 12 23.270 28.174 46.221 1.00 32.24 C ATOM 237 N6 DA C 12 22.938 29.350 46.757 1.00 33.02 N ATOM 238 N1 DA C 12 23.680 27.172 47.028 1.00 33.70 N ATOM 239 C2 DA C 12 24.010 25.986 46.491 1.00 32.62 C ATOM 240 N3 DA C 12 23.994 25.627 45.208 1.00 33.00 N ATOM 241 C4 DA C 12 23.567 26.644 44.428 1.00 32.81 C ATOM 242 P DA C 13 22.715 22.251 39.818 1.00 40.12 P ATOM 243 OP1 DA C 13 23.454 21.081 39.300 1.00 41.94 O ATOM 244 OP2 DA C 13 21.569 22.757 39.020 1.00 39.42 O ATOM 245 O5' DA C 13 22.156 21.940 41.288 1.00 39.03 O ATOM 246 C5' DA C 13 23.059 21.580 42.324 1.00 38.45 C ATOM 247 C4' DA C 13 22.383 21.526 43.683 1.00 37.04 C ATOM 248 O4' DA C 13 22.321 22.872 44.184 1.00 34.62 O ATOM 249 C3' DA C 13 20.964 20.976 43.745 1.00 37.59 C ATOM 250 O3' DA C 13 20.976 19.785 44.517 1.00 40.46 O ATOM 251 C2' DA C 13 20.158 22.052 44.450 1.00 35.13 C ATOM 252 C1' DA C 13 21.219 22.955 45.040 1.00 32.41 C ATOM 253 N9 DA C 13 20.816 24.349 45.049 1.00 31.80 N ATOM 254 C8 DA C 13 20.500 25.137 43.974 1.00 30.88 C ATOM 255 N7 DA C 13 20.187 26.365 44.305 1.00 29.48 N ATOM 256 C5 DA C 13 20.292 26.381 45.684 1.00 29.71 C ATOM 257 C6 DA C 13 20.091 27.387 46.651 1.00 30.41 C ATOM 258 N6 DA C 13 19.715 28.634 46.352 1.00 29.91 N ATOM 259 N1 DA C 13 20.316 27.064 47.950 1.00 30.87 N ATOM 260 C2 DA C 13 20.696 25.816 48.260 1.00 30.17 C ATOM 261 N3 DA C 13 20.909 24.788 47.443 1.00 29.83 N ATOM 262 C4 DA C 13 20.686 25.141 46.162 1.00 31.54 C ATOM 263 P DT C 14 19.690 18.937 44.945 1.00 42.48 P ATOM 264 OP1 DT C 14 20.187 17.556 45.127 1.00 43.24 O ATOM 265 OP2 DT C 14 18.507 19.181 44.083 1.00 41.45 O ATOM 266 O5' DT C 14 19.350 19.539 46.380 1.00 41.19 O ATOM 267 C5' DT C 14 20.266 19.362 47.438 1.00 40.93 C ATOM 268 C4' DT C 14 19.619 19.812 48.727 1.00 40.13 C ATOM 269 O4' DT C 14 19.515 21.255 48.708 1.00 38.09 O ATOM 270 C3' DT C 14 18.223 19.248 48.953 1.00 40.71 C ATOM 271 O3' DT C 14 18.208 18.657 50.245 1.00 43.85 O ATOM 272 C2' DT C 14 17.299 20.456 48.837 1.00 38.91 C ATOM 273 C1' DT C 14 18.222 21.633 49.117 1.00 36.12 C ATOM 274 N1 DT C 14 17.854 22.901 48.401 1.00 34.93 N ATOM 275 C2 DT C 14 17.695 24.055 49.151 1.00 34.72 C ATOM 276 O2 DT C 14 17.844 24.096 50.358 1.00 34.48 O ATOM 277 N3 DT C 14 17.362 25.175 48.426 1.00 32.97 N ATOM 278 C4 DT C 14 17.175 25.236 47.055 1.00 34.09 C ATOM 279 O4 DT C 14 16.876 26.267 46.470 1.00 34.47 O ATOM 280 C5 DT C 14 17.350 24.009 46.334 1.00 33.48 C ATOM 281 C7 DT C 14 17.161 24.020 44.848 1.00 33.85 C ATOM 282 C6 DT C 14 17.679 22.904 47.025 1.00 33.69 C ATOM 283 P DC C 15 16.970 17.829 50.833 1.00 46.26 P ATOM 284 OP1 DC C 15 17.565 16.893 51.808 1.00 46.89 O ATOM 285 OP2 DC C 15 16.078 17.344 49.748 1.00 45.40 O ATOM 286 O5' DC C 15 16.180 18.977 51.622 1.00 45.80 O ATOM 287 C5' DC C 15 16.889 19.662 52.656 1.00 44.17 C ATOM 288 C4' DC C 15 15.991 20.690 53.299 1.00 43.30 C ATOM 289 O4' DC C 15 16.023 21.888 52.496 1.00 40.78 O ATOM 290 C3' DC C 15 14.537 20.249 53.391 1.00 44.56 C ATOM 291 O3' DC C 15 14.063 20.379 54.709 1.00 47.27 O ATOM 292 C2' DC C 15 13.770 21.196 52.489 1.00 42.00 C ATOM 293 C1' DC C 15 14.708 22.384 52.397 1.00 39.36 C ATOM 294 N1 DC C 15 14.514 23.073 51.102 1.00 35.84 N ATOM 295 C2 DC C 15 14.277 24.450 51.094 1.00 36.98 C ATOM 296 O2 DC C 15 14.260 25.060 52.171 1.00 36.54 O ATOM 297 N3 DC C 15 14.082 25.075 49.896 1.00 34.81 N ATOM 298 C4 DC C 15 14.124 24.372 48.762 1.00 35.54 C ATOM 299 N4 DC C 15 13.927 25.031 47.608 1.00 35.30 N ATOM 300 C5 DC C 15 14.349 22.959 48.753 1.00 33.96 C ATOM 301 C6 DC C 15 14.540 22.361 49.934 1.00 36.42 C ATOM 302 P DC C 16 12.703 19.667 55.149 1.00 49.32 P ATOM 303 OP1 DC C 16 13.048 19.142 56.487 1.00 48.85 O ATOM 304 OP2 DC C 16 12.135 18.788 54.090 1.00 48.76 O ATOM 305 O5' DC C 16 11.657 20.860 55.286 1.00 47.34 O ATOM 306 C5' DC C 16 11.926 21.958 56.136 1.00 46.16 C ATOM 307 C4' DC C 16 11.042 23.095 55.688 1.00 44.93 C ATOM 308 O4' DC C 16 11.516 23.521 54.377 1.00 44.33 O ATOM 309 C3' DC C 16 9.575 22.684 55.553 1.00 45.09 C ATOM 310 O3' DC C 16 8.685 23.455 56.381 1.00 45.46 O ATOM 311 C2' DC C 16 9.303 22.886 54.076 1.00 44.08 C ATOM 312 C1' DC C 16 10.380 23.878 53.654 1.00 41.82 C ATOM 313 N1 DC C 16 10.584 23.856 52.176 1.00 39.90 N ATOM 314 C2 DC C 16 10.542 25.074 51.477 1.00 39.48 C ATOM 315 O2 DC C 16 10.384 26.123 52.118 1.00 41.42 O ATOM 316 N3 DC C 16 10.689 25.068 50.132 1.00 35.72 N ATOM 317 C4 DC C 16 10.846 23.900 49.502 1.00 37.98 C ATOM 318 N4 DC C 16 11.000 23.904 48.180 1.00 38.58 N ATOM 319 C5 DC C 16 10.886 22.650 50.195 1.00 40.01 C ATOM 320 C6 DC C 16 10.735 22.666 51.523 1.00 38.98 C ATOM 321 P DC C 17 7.090 23.224 56.425 1.00 42.63 P ATOM 322 OP1 DC C 17 6.833 23.108 57.865 1.00 46.81 O ATOM 323 OP2 DC C 17 6.587 22.197 55.480 1.00 44.84 O ATOM 324 O5' DC C 17 6.446 24.588 55.891 1.00 42.84 O ATOM 325 C5' DC C 17 6.730 25.821 56.543 1.00 40.28 C ATOM 326 C4' DC C 17 6.325 26.931 55.585 1.00 37.16 C ATOM 327 O4' DC C 17 7.286 27.000 54.511 1.00 36.02 O ATOM 328 C3' DC C 17 5.008 26.742 54.876 1.00 39.22 C ATOM 329 O3' DC C 17 4.024 27.113 55.795 1.00 38.90 O ATOM 330 C2' DC C 17 5.178 27.768 53.772 1.00 36.49 C ATOM 331 C1' DC C 17 6.582 27.409 53.332 1.00 37.44 C ATOM 332 N1 DC C 17 6.765 26.382 52.223 1.00 37.88 N ATOM 333 C2 DC C 17 6.621 26.818 50.913 1.00 35.34 C ATOM 334 O2 DC C 17 6.328 28.010 50.689 1.00 36.83 O ATOM 335 N3 DC C 17 6.838 25.932 49.904 1.00 36.80 N ATOM 336 C4 DC C 17 7.134 24.661 50.155 1.00 36.51 C ATOM 337 N4 DC C 17 7.305 23.863 49.087 1.00 37.54 N ATOM 338 C5 DC C 17 7.242 24.172 51.495 1.00 37.11 C ATOM 339 C6 DC C 17 7.059 25.060 52.492 1.00 37.38 C ATOM 340 P DC C 18 2.512 26.710 55.670 1.00 30.59 P ATOM 341 OP1 DC C 18 1.778 27.450 56.718 1.00 35.50 O ATOM 342 OP2 DC C 18 2.467 25.238 55.655 1.00 33.99 O ATOM 343 O5' DC C 18 1.843 27.188 54.308 1.00 29.58 O ATOM 344 C5' DC C 18 1.795 28.621 54.291 1.00 34.51 C ATOM 345 C4' DC C 18 1.617 29.096 52.879 1.00 36.16 C ATOM 346 O4' DC C 18 2.758 28.659 52.117 1.00 38.55 O ATOM 347 C3' DC C 18 0.491 28.348 52.245 1.00 34.63 C ATOM 348 O3' DC C 18 -0.687 28.972 52.703 1.00 38.76 O ATOM 349 C2' DC C 18 0.799 28.591 50.767 1.00 35.97 C ATOM 350 C1' DC C 18 2.311 28.397 50.786 1.00 33.62 C ATOM 351 N1 DC C 18 2.815 27.019 50.325 1.00 33.61 N ATOM 352 C2 DC C 18 3.001 26.753 48.960 1.00 34.10 C ATOM 353 O2 DC C 18 2.761 27.611 48.125 1.00 32.80 O ATOM 354 N3 DC C 18 3.472 25.560 48.552 1.00 33.10 N ATOM 355 C4 DC C 18 3.743 24.616 49.430 1.00 34.79 C ATOM 356 N4 DC C 18 4.199 23.458 48.939 1.00 33.60 N ATOM 357 C5 DC C 18 3.554 24.821 50.840 1.00 33.99 C ATOM 358 C6 DC C 18 3.083 26.018 51.226 1.00 33.94 C ATOM 359 P DG C 19 -2.164 28.648 52.205 1.00 40.10 P ATOM 360 OP1 DG C 19 -2.974 29.600 52.973 1.00 43.72 O ATOM 361 OP2 DG C 19 -2.433 27.186 52.368 1.00 42.15 O ATOM 362 O5' DG C 19 -2.387 28.871 50.658 1.00 43.44 O ATOM 363 C5' DG C 19 -2.323 30.163 50.069 1.00 42.37 C ATOM 364 C4' DG C 19 -2.491 29.946 48.591 1.00 41.23 C ATOM 365 O4' DG C 19 -1.509 28.978 48.154 1.00 42.08 O ATOM 366 C3' DG C 19 -3.823 29.383 48.178 1.00 40.21 C ATOM 367 O3' DG C 19 -4.093 29.983 46.922 1.00 46.98 O ATOM 368 C2' DG C 19 -3.572 27.892 47.981 1.00 38.52 C ATOM 369 C1' DG C 19 -2.124 27.876 47.501 1.00 36.78 C ATOM 370 N9 DG C 19 -1.374 26.675 47.940 1.00 35.39 N ATOM 371 C8 DG C 19 -1.303 26.139 49.204 1.00 36.78 C ATOM 372 N7 DG C 19 -0.526 25.079 49.278 1.00 37.08 N ATOM 373 C5 DG C 19 -0.093 24.897 47.949 1.00 34.37 C ATOM 374 C6 DG C 19 0.747 23.907 47.380 1.00 34.38 C ATOM 375 O6 DG C 19 1.304 22.961 47.972 1.00 33.19 O ATOM 376 N1 DG C 19 0.945 24.089 45.991 1.00 34.25 N ATOM 377 C2 DG C 19 0.404 25.118 45.257 1.00 34.43 C ATOM 378 N2 DG C 19 0.675 25.150 43.943 1.00 36.48 N ATOM 379 N3 DG C 19 -0.380 26.051 45.776 1.00 34.23 N ATOM 380 C4 DG C 19 -0.592 25.876 47.134 1.00 35.40 C ATOM 381 P DG C 20 -5.568 29.880 46.361 1.00 49.72 P ATOM 382 OP1 DG C 20 -5.777 31.217 45.732 1.00 50.77 O ATOM 383 OP2 DG C 20 -6.407 29.350 47.437 1.00 49.26 O ATOM 384 O5' DG C 20 -5.646 28.796 45.154 1.00 49.25 O ATOM 385 C5' DG C 20 -4.799 28.913 44.020 1.00 46.08 C ATOM 386 C4' DG C 20 -4.584 27.568 43.368 1.00 45.59 C ATOM 387 O4' DG C 20 -3.886 26.676 44.242 1.00 48.11 O ATOM 388 C3' DG C 20 -5.879 26.825 43.063 1.00 47.51 C ATOM 389 O3' DG C 20 -5.937 26.815 41.711 1.00 50.68 O ATOM 390 C2' DG C 20 -5.679 25.424 43.656 1.00 47.53 C ATOM 391 C1' DG C 20 -4.174 25.375 43.836 1.00 39.89 C ATOM 392 N9 DG C 20 -3.682 24.510 44.901 1.00 37.93 N ATOM 393 C8 DG C 20 -3.914 24.616 46.263 1.00 36.50 C ATOM 394 N7 DG C 20 -3.313 23.684 46.935 1.00 35.53 N ATOM 395 C5 DG C 20 -2.584 22.959 45.990 1.00 36.33 C ATOM 396 C6 DG C 20 -1.746 21.826 46.142 1.00 36.38 C ATOM 397 O6 DG C 20 -1.436 21.247 47.190 1.00 35.43 O ATOM 398 N1 DG C 20 -1.221 21.381 44.921 1.00 35.24 N ATOM 399 C2 DG C 20 -1.493 21.954 43.698 1.00 37.41 C ATOM 400 N2 DG C 20 -0.910 21.380 42.631 1.00 36.03 N ATOM 401 N3 DG C 20 -2.289 23.016 43.533 1.00 36.49 N ATOM 402 C4 DG C 20 -2.814 23.447 44.723 1.00 37.29 C ATOM 403 P DA C 21 -7.270 26.332 40.987 1.00 51.99 P ATOM 404 OP1 DA C 21 -7.370 27.054 39.695 1.00 54.49 O ATOM 405 OP2 DA C 21 -8.392 26.298 41.960 1.00 49.79 O ATOM 406 O5' DA C 21 -6.878 24.815 40.678 1.00 51.03 O ATOM 407 C5' DA C 21 -5.843 24.516 39.754 1.00 47.12 C ATOM 408 C4' DA C 21 -5.653 23.012 39.778 1.00 45.47 C ATOM 409 O4' DA C 21 -5.131 22.668 41.078 1.00 41.84 O ATOM 410 C3' DA C 21 -6.889 22.128 39.600 1.00 42.38 C ATOM 411 O3' DA C 21 -6.519 21.088 38.693 1.00 48.41 O ATOM 412 C2' DA C 21 -7.159 21.585 41.000 1.00 43.78 C ATOM 413 C1' DA C 21 -5.736 21.488 41.542 1.00 36.46 C ATOM 414 N9 DA C 21 -5.611 21.325 43.010 1.00 34.64 N ATOM 415 C8 DA C 21 -6.308 21.976 44.004 1.00 33.57 C ATOM 416 N7 DA C 21 -6.011 21.598 45.239 1.00 34.57 N ATOM 417 C5 DA C 21 -5.058 20.607 45.033 1.00 33.55 C ATOM 418 C6 DA C 21 -4.344 19.785 45.928 1.00 33.51 C ATOM 419 N6 DA C 21 -4.510 19.862 47.247 1.00 32.24 N ATOM 420 N1 DA C 21 -3.468 18.887 45.411 1.00 33.45 N ATOM 421 C2 DA C 21 -3.324 18.819 44.074 1.00 33.94 C ATOM 422 N3 DA C 21 -3.939 19.539 43.135 1.00 31.77 N ATOM 423 C4 DA C 21 -4.805 20.422 43.668 1.00 33.28 C TER 424 DA C 21 ATOM 425 O5' DA D 22 -1.527 13.310 54.368 1.00 34.36 O ATOM 426 C5' DA D 22 -1.594 11.883 54.194 1.00 33.96 C ATOM 427 C4' DA D 22 -1.833 11.501 52.740 1.00 32.93 C ATOM 428 O4' DA D 22 -3.177 11.897 52.403 1.00 31.37 O ATOM 429 C3' DA D 22 -0.956 12.206 51.703 1.00 33.52 C ATOM 430 O3' DA D 22 0.231 11.470 51.428 1.00 35.33 O ATOM 431 C2' DA D 22 -1.837 12.225 50.467 1.00 31.91 C ATOM 432 C1' DA D 22 -3.225 12.325 51.058 1.00 30.77 C ATOM 433 N9 DA D 22 -3.825 13.652 50.966 1.00 30.33 N ATOM 434 C8 DA D 22 -4.039 14.553 51.973 1.00 29.98 C ATOM 435 N7 DA D 22 -4.631 15.649 51.578 1.00 30.32 N ATOM 436 C5 DA D 22 -4.825 15.470 50.222 1.00 30.19 C ATOM 437 C6 DA D 22 -5.400 16.268 49.218 1.00 30.26 C ATOM 438 N6 DA D 22 -5.921 17.490 49.420 1.00 29.11 N ATOM 439 N1 DA D 22 -5.423 15.766 47.961 1.00 31.35 N ATOM 440 C2 DA D 22 -4.918 14.549 47.722 1.00 30.69 C ATOM 441 N3 DA D 22 -4.352 13.713 48.580 1.00 30.04 N ATOM 442 C4 DA D 22 -4.333 14.236 49.824 1.00 31.07 C ATOM 443 P DT D 23 1.441 12.147 50.634 1.00 39.04 P ATOM 444 OP1 DT D 23 2.537 11.147 50.657 1.00 36.99 O ATOM 445 OP2 DT D 23 1.629 13.518 51.183 1.00 33.92 O ATOM 446 O5' DT D 23 0.881 12.308 49.133 1.00 38.44 O ATOM 447 C5' DT D 23 0.550 11.178 48.302 1.00 39.64 C ATOM 448 C4' DT D 23 0.359 11.647 46.875 1.00 40.23 C ATOM 449 O4' DT D 23 -0.849 12.439 46.802 1.00 38.96 O ATOM 450 C3' DT D 23 1.489 12.565 46.438 1.00 42.06 C ATOM 451 O3' DT D 23 2.376 11.904 45.565 1.00 45.50 O ATOM 452 C2' DT D 23 0.837 13.725 45.710 1.00 40.15 C ATOM 453 C1' DT D 23 -0.624 13.626 46.065 1.00 38.25 C ATOM 454 N1 DT D 23 -1.117 14.823 46.813 1.00 37.89 N ATOM 455 C2 DT D 23 -1.804 15.753 46.066 1.00 37.36 C ATOM 456 O2 DT D 23 -2.020 15.645 44.862 1.00 37.84 O ATOM 457 N3 DT D 23 -2.251 16.822 46.788 1.00 35.08 N ATOM 458 C4 DT D 23 -2.101 17.060 48.136 1.00 36.07 C ATOM 459 O4 DT D 23 -2.585 18.071 48.629 1.00 37.08 O ATOM 460 C5 DT D 23 -1.357 16.053 48.868 1.00 35.83 C ATOM 461 C7 DT D 23 -1.103 16.200 50.340 1.00 36.94 C ATOM 462 C6 DT D 23 -0.900 14.989 48.177 1.00 36.22 C ATOM 463 P DC D 24 3.830 12.523 45.336 1.00 49.49 P ATOM 464 OP1 DC D 24 4.662 11.399 44.854 1.00 49.20 O ATOM 465 OP2 DC D 24 4.257 13.317 46.525 1.00 48.94 O ATOM 466 O5' DC D 24 3.591 13.568 44.137 1.00 49.01 O ATOM 467 C5' DC D 24 2.707 13.297 43.020 1.00 47.27 C ATOM 468 C4' DC D 24 2.541 14.575 42.212 1.00 46.17 C ATOM 469 O4' DC D 24 1.450 15.352 42.792 1.00 44.38 O ATOM 470 C3' DC D 24 3.804 15.437 42.230 1.00 46.16 C ATOM 471 O3' DC D 24 4.375 15.686 40.927 1.00 48.18 O ATOM 472 C2' DC D 24 3.370 16.723 42.913 1.00 44.33 C ATOM 473 C1' DC D 24 1.848 16.700 42.911 1.00 40.86 C ATOM 474 N1 DC D 24 1.387 17.353 44.185 1.00 38.64 N ATOM 475 C2 DC D 24 0.454 18.407 44.162 1.00 38.10 C ATOM 476 O2 DC D 24 -0.044 18.776 43.078 1.00 36.05 O ATOM 477 N3 DC D 24 0.095 18.972 45.351 1.00 35.51 N ATOM 478 C4 DC D 24 0.646 18.556 46.495 1.00 36.88 C ATOM 479 N4 DC D 24 0.274 19.145 47.635 1.00 36.70 N ATOM 480 C5 DC D 24 1.607 17.506 46.537 1.00 36.89 C ATOM 481 C6 DC D 24 1.947 16.948 45.368 1.00 38.28 C ATOM 482 P DC D 25 5.616 16.694 40.660 1.00 50.19 P ATOM 483 OP1 DC D 25 6.221 16.236 39.393 1.00 52.11 O ATOM 484 OP2 DC D 25 6.495 16.868 41.840 1.00 48.34 O ATOM 485 O5' DC D 25 4.862 18.075 40.357 1.00 49.47 O ATOM 486 C5' DC D 25 3.637 18.065 39.588 1.00 47.38 C ATOM 487 C4' DC D 25 3.073 19.459 39.371 1.00 45.50 C ATOM 488 O4' DC D 25 2.388 19.936 40.554 1.00 42.93 O ATOM 489 C3' DC D 25 4.129 20.495 39.047 1.00 45.69 C ATOM 490 O3' DC D 25 3.685 21.317 37.959 1.00 49.26 O ATOM 491 C2' DC D 25 4.337 21.247 40.360 1.00 41.97 C ATOM 492 C1' DC D 25 2.958 21.151 41.001 1.00 39.08 C ATOM 493 N1 DC D 25 2.944 21.100 42.490 1.00 36.31 N ATOM 494 C2 DC D 25 2.366 22.142 43.233 1.00 35.64 C ATOM 495 O2 DC D 25 1.881 23.118 42.644 1.00 33.83 O ATOM 496 N3 DC D 25 2.379 22.067 44.598 1.00 33.86 N ATOM 497 C4 DC D 25 2.900 21.013 45.224 1.00 34.97 C ATOM 498 N4 DC D 25 2.866 20.991 46.569 1.00 35.18 N ATOM 499 C5 DC D 25 3.502 19.948 44.492 1.00 35.24 C ATOM 500 C6 DC D 25 3.497 20.031 43.144 1.00 36.78 C ATOM 501 P DG D 26 4.797 22.110 37.115 1.00 51.83 P ATOM 502 OP1 DG D 26 4.358 22.117 35.702 1.00 51.59 O ATOM 503 OP2 DG D 26 6.153 21.649 37.550 1.00 51.23 O ATOM 504 O5' DG D 26 4.775 23.598 37.713 1.00 50.99 O ATOM 505 C5' DG D 26 3.592 24.393 37.843 1.00 49.06 C ATOM 506 C4' DG D 26 3.982 25.581 38.705 1.00 45.93 C ATOM 507 O4' DG D 26 3.739 25.259 40.110 1.00 45.63 O ATOM 508 C3' DG D 26 5.473 25.936 38.622 1.00 45.87 C ATOM 509 O3' DG D 26 5.743 27.292 38.939 1.00 45.35 O ATOM 510 C2' DG D 26 6.045 25.112 39.757 1.00 44.36 C ATOM 511 C1' DG D 26 4.966 25.447 40.781 1.00 41.45 C ATOM 512 N9 DG D 26 5.126 24.698 42.021 1.00 41.82 N ATOM 513 C8 DG D 26 5.815 23.513 42.190 1.00 40.60 C ATOM 514 N7 DG D 26 5.823 23.086 43.414 1.00 40.74 N ATOM 515 C5 DG D 26 5.108 24.070 44.108 1.00 40.80 C ATOM 516 C6 DG D 26 4.791 24.159 45.485 1.00 39.72 C ATOM 517 O6 DG D 26 5.108 23.350 46.354 1.00 40.61 O ATOM 518 N1 DG D 26 4.058 25.301 45.799 1.00 39.16 N ATOM 519 C2 DG D 26 3.680 26.253 44.886 1.00 39.82 C ATOM 520 N2 DG D 26 2.982 27.297 45.354 1.00 40.19 N ATOM 521 N3 DG D 26 3.953 26.179 43.578 1.00 41.06 N ATOM 522 C4 DG D 26 4.683 25.075 43.269 1.00 40.70 C ATOM 523 P DG D 27 6.821 28.197 38.172 1.00 45.90 P ATOM 524 OP1 DG D 27 6.204 28.381 36.846 1.00 44.70 O ATOM 525 OP2 DG D 27 8.256 27.835 38.420 1.00 43.99 O ATOM 526 O5' DG D 27 6.631 29.550 39.003 1.00 43.31 O ATOM 527 C5' DG D 27 7.449 29.776 40.075 1.00 35.77 C ATOM 528 C4' DG D 27 6.598 30.485 41.100 1.00 37.79 C ATOM 529 O4' DG D 27 5.666 29.584 41.772 1.00 38.10 O ATOM 530 C3' DG D 27 7.461 31.070 42.182 1.00 34.80 C ATOM 531 O3' DG D 27 7.944 32.365 41.740 1.00 31.41 O ATOM 532 C2' DG D 27 6.523 31.064 43.387 1.00 37.87 C ATOM 533 C1' DG D 27 5.776 29.755 43.173 1.00 37.25 C ATOM 534 N9 DG D 27 6.403 28.557 43.737 1.00 35.69 N ATOM 535 C8 DG D 27 7.028 27.543 43.045 1.00 35.23 C ATOM 536 N7 DG D 27 7.516 26.600 43.811 1.00 37.38 N ATOM 537 C5 DG D 27 7.183 27.010 45.109 1.00 36.24 C ATOM 538 C6 DG D 27 7.407 26.396 46.365 1.00 36.27 C ATOM 539 O6 DG D 27 7.987 25.335 46.607 1.00 35.80 O ATOM 540 N1 DG D 27 6.909 27.160 47.423 1.00 36.47 N ATOM 541 C2 DG D 27 6.240 28.363 47.284 1.00 37.09 C ATOM 542 N2 DG D 27 5.828 28.987 48.412 1.00 36.47 N ATOM 543 N3 DG D 27 6.005 28.939 46.126 1.00 35.50 N ATOM 544 C4 DG D 27 6.509 28.225 45.079 1.00 37.68 C ATOM 545 P DG D 28 9.301 32.931 42.291 1.00 32.60 P ATOM 546 OP1 DG D 28 9.362 34.262 41.647 1.00 35.00 O ATOM 547 OP2 DG D 28 10.452 32.029 42.164 1.00 30.32 O ATOM 548 O5' DG D 28 9.050 33.120 43.855 1.00 35.44 O ATOM 549 C5' DG D 28 8.118 34.045 44.418 1.00 35.82 C ATOM 550 C4' DG D 28 8.163 33.836 45.925 1.00 32.69 C ATOM 551 O4' DG D 28 7.801 32.465 46.228 1.00 32.89 O ATOM 552 C3' DG D 28 9.557 34.014 46.483 1.00 36.45 C ATOM 553 O3' DG D 28 9.615 35.267 47.085 1.00 39.26 O ATOM 554 C2' DG D 28 9.704 32.943 47.535 1.00 33.95 C ATOM 555 C1' DG D 28 8.634 31.944 47.254 1.00 34.08 C ATOM 556 N9 DG D 28 9.199 30.658 46.851 1.00 34.76 N ATOM 557 C8 DG D 28 9.529 30.230 45.580 1.00 34.36 C ATOM 558 N7 DG D 28 10.014 29.016 45.539 1.00 32.84 N ATOM 559 C5 DG D 28 9.984 28.609 46.867 1.00 34.41 C ATOM 560 C6 DG D 28 10.402 27.397 47.470 1.00 34.71 C ATOM 561 O6 DG D 28 10.843 26.379 46.921 1.00 34.62 O ATOM 562 N1 DG D 28 10.205 27.408 48.850 1.00 33.75 N ATOM 563 C2 DG D 28 9.706 28.465 49.580 1.00 33.82 C ATOM 564 N2 DG D 28 9.604 28.307 50.926 1.00 33.19 N ATOM 565 N3 DG D 28 9.343 29.614 49.029 1.00 32.34 N ATOM 566 C4 DG D 28 9.508 29.619 47.685 1.00 34.62 C ATOM 567 P DG D 29 10.965 35.906 47.589 1.00 44.37 P ATOM 568 OP1 DG D 29 10.664 37.343 47.759 1.00 43.87 O ATOM 569 OP2 DG D 29 12.099 35.493 46.718 1.00 44.44 O ATOM 570 O5' DG D 29 11.247 35.280 49.022 1.00 43.62 O ATOM 571 C5' DG D 29 10.269 35.154 50.052 1.00 42.35 C ATOM 572 C4' DG D 29 10.944 34.509 51.247 1.00 37.52 C ATOM 573 O4' DG D 29 11.024 33.070 51.079 1.00 35.31 O ATOM 574 C3' DG D 29 12.363 34.963 51.517 1.00 40.70 C ATOM 575 O3' DG D 29 12.385 35.253 52.891 1.00 43.82 O ATOM 576 C2' DG D 29 13.292 33.787 51.189 1.00 38.00 C ATOM 577 C1' DG D 29 12.354 32.595 51.137 1.00 34.58 C ATOM 578 N9 DG D 29 12.635 31.653 50.040 1.00 33.38 N ATOM 579 C8 DG D 29 12.679 31.872 48.668 1.00 33.87 C ATOM 580 N7 DG D 29 12.937 30.795 47.953 1.00 31.74 N ATOM 581 C5 DG D 29 13.086 29.802 48.926 1.00 32.15 C ATOM 582 C6 DG D 29 13.381 28.421 48.803 1.00 33.09 C ATOM 583 O6 DG D 29 13.606 27.768 47.776 1.00 31.52 O ATOM 584 N1 DG D 29 13.435 27.782 50.048 1.00 32.47 N ATOM 585 C2 DG D 29 13.215 28.388 51.265 1.00 33.80 C ATOM 586 N2 DG D 29 13.308 27.615 52.366 1.00 32.47 N ATOM 587 N3 DG D 29 12.933 29.675 51.400 1.00 32.70 N ATOM 588 C4 DG D 29 12.893 30.316 50.201 1.00 31.73 C ATOM 589 P DA D 30 13.731 35.540 53.665 1.00 44.93 P ATOM 590 OP1 DA D 30 13.326 36.120 54.972 1.00 48.51 O ATOM 591 OP2 DA D 30 14.686 36.271 52.801 1.00 45.72 O ATOM 592 O5' DA D 30 14.330 34.084 53.942 1.00 44.69 O ATOM 593 C5' DA D 30 13.742 33.175 54.875 1.00 43.41 C ATOM 594 C4' DA D 30 14.715 32.033 55.099 1.00 40.42 C ATOM 595 O4' DA D 30 14.824 31.246 53.885 1.00 40.13 O ATOM 596 C3' DA D 30 16.119 32.489 55.417 1.00 41.46 C ATOM 597 O3' DA D 30 16.406 31.989 56.739 1.00 44.07 O ATOM 598 C2' DA D 30 17.017 31.932 54.306 1.00 38.96 C ATOM 599 C1' DA D 30 16.158 30.835 53.672 1.00 36.76 C ATOM 600 N9 DA D 30 16.317 30.646 52.224 1.00 35.81 N ATOM 601 C8 DA D 30 16.280 31.618 51.268 1.00 35.74 C ATOM 602 N7 DA D 30 16.415 31.157 50.050 1.00 33.68 N ATOM 603 C5 DA D 30 16.534 29.779 50.198 1.00 34.01 C ATOM 604 C6 DA D 30 16.709 28.698 49.287 1.00 35.45 C ATOM 605 N6 DA D 30 16.799 28.830 47.959 1.00 34.54 N ATOM 606 N1 DA D 30 16.800 27.439 49.787 1.00 36.66 N ATOM 607 C2 DA D 30 16.710 27.258 51.099 1.00 33.16 C ATOM 608 N3 DA D 30 16.526 28.191 52.026 1.00 34.88 N ATOM 609 C4 DA D 30 16.462 29.446 51.528 1.00 34.69 C ATOM 610 P DT D 31 17.869 31.961 57.350 1.00 49.08 P ATOM 611 OP1 DT D 31 17.738 32.144 58.809 1.00 48.02 O ATOM 612 OP2 DT D 31 18.790 32.834 56.568 1.00 50.02 O ATOM 613 O5' DT D 31 18.219 30.435 57.067 1.00 47.51 O ATOM 614 C5' DT D 31 19.397 30.251 56.364 1.00 46.36 C ATOM 615 C4' DT D 31 19.462 28.842 55.859 1.00 45.48 C ATOM 616 O4' DT D 31 18.997 28.758 54.490 1.00 42.22 O ATOM 617 C3' DT D 31 20.917 28.430 55.877 1.00 46.00 C ATOM 618 O3' DT D 31 21.007 27.126 56.373 1.00 50.14 O ATOM 619 C2' DT D 31 21.344 28.531 54.426 1.00 43.82 C ATOM 620 C1' DT D 31 20.039 28.279 53.669 1.00 40.14 C ATOM 621 N1 DT D 31 19.990 28.913 52.295 1.00 39.98 N ATOM 622 C2 DT D 31 20.039 28.062 51.211 1.00 37.75 C ATOM 623 O2 DT D 31 20.119 26.849 51.322 1.00 38.79 O ATOM 624 N3 DT D 31 20.001 28.688 49.994 1.00 37.44 N ATOM 625 C4 DT D 31 19.903 30.045 49.755 1.00 38.18 C ATOM 626 O4 DT D 31 19.872 30.477 48.610 1.00 39.67 O ATOM 627 C5 DT D 31 19.852 30.889 50.930 1.00 39.19 C ATOM 628 C7 DT D 31 19.756 32.386 50.805 1.00 39.30 C ATOM 629 C6 DT D 31 19.900 30.291 52.129 1.00 37.77 C ATOM 630 P DT D 32 22.384 26.641 56.995 1.00 52.15 P ATOM 631 OP1 DT D 32 22.250 26.815 58.464 1.00 53.25 O ATOM 632 OP2 DT D 32 23.532 27.266 56.285 1.00 50.20 O ATOM 633 O5' DT D 32 22.338 25.069 56.663 1.00 52.29 O ATOM 634 C5' DT D 32 21.595 24.542 55.561 1.00 50.62 C ATOM 635 C4' DT D 32 22.491 23.966 54.472 1.00 49.49 C ATOM 636 O4' DT D 32 22.400 24.764 53.259 1.00 48.39 O ATOM 637 C3' DT D 32 23.979 23.870 54.791 1.00 48.90 C ATOM 638 O3' DT D 32 24.404 22.601 54.328 1.00 50.31 O ATOM 639 C2' DT D 32 24.595 25.013 53.988 1.00 48.01 C ATOM 640 C1' DT D 32 23.700 24.982 52.752 1.00 46.03 C ATOM 641 N1 DT D 32 23.666 26.206 51.883 1.00 45.37 N ATOM 642 C2 DT D 32 23.631 26.011 50.514 1.00 44.73 C ATOM 643 O2 DT D 32 23.628 24.912 49.978 1.00 45.02 O ATOM 644 N3 DT D 32 23.597 27.164 49.774 1.00 44.28 N ATOM 645 C4 DT D 32 23.584 28.462 50.246 1.00 44.55 C ATOM 646 O4 DT D 32 23.541 29.417 49.481 1.00 44.98 O ATOM 647 C5 DT D 32 23.621 28.611 51.680 1.00 44.89 C ATOM 648 C7 DT D 32 23.619 29.989 52.279 1.00 44.84 C ATOM 649 C6 DT D 32 23.666 27.487 52.427 1.00 45.08 C ATOM 650 P DA D 33 25.790 21.923 54.761 1.00 51.36 P ATOM 651 OP1 DA D 33 25.428 20.686 55.482 1.00 50.98 O ATOM 652 OP2 DA D 33 26.693 22.933 55.378 1.00 50.52 O ATOM 653 O5' DA D 33 26.427 21.510 53.355 1.00 50.52 O ATOM 654 C5' DA D 33 25.612 21.072 52.274 1.00 49.87 C ATOM 655 C4' DA D 33 26.414 21.094 50.985 1.00 48.82 C ATOM 656 O4' DA D 33 26.381 22.406 50.371 1.00 47.49 O ATOM 657 C3' DA D 33 27.889 20.776 51.133 1.00 49.45 C ATOM 658 O3' DA D 33 28.239 20.008 50.000 1.00 52.21 O ATOM 659 C2' DA D 33 28.568 22.150 51.154 1.00 47.59 C ATOM 660 C1' DA D 33 27.678 22.940 50.204 1.00 45.42 C ATOM 661 N9 DA D 33 27.520 24.355 50.502 1.00 44.53 N ATOM 662 C8 DA D 33 27.493 24.940 51.738 1.00 44.27 C ATOM 663 N7 DA D 33 27.315 26.239 51.703 1.00 44.55 N ATOM 664 C5 DA D 33 27.202 26.519 50.350 1.00 43.90 C ATOM 665 C6 DA D 33 26.992 27.721 49.646 1.00 44.36 C ATOM 666 N6 DA D 33 26.861 28.897 50.264 1.00 44.65 N ATOM 667 N1 DA D 33 26.934 27.671 48.296 1.00 44.03 N ATOM 668 C2 DA D 33 27.072 26.479 47.692 1.00 44.09 C ATOM 669 N3 DA D 33 27.268 25.280 48.246 1.00 43.64 N ATOM 670 C4 DA D 33 27.326 25.369 49.590 1.00 43.87 C ATOM 671 P DC D 34 29.692 19.365 49.849 1.00 54.06 P ATOM 672 OP1 DC D 34 29.478 18.049 49.209 1.00 54.45 O ATOM 673 OP2 DC D 34 30.408 19.475 51.143 1.00 54.17 O ATOM 674 O5' DC D 34 30.440 20.332 48.822 1.00 54.85 O ATOM 675 C5' DC D 34 29.857 20.653 47.560 1.00 56.01 C ATOM 676 C4' DC D 34 30.579 21.838 46.941 1.00 56.28 C ATOM 677 O4' DC D 34 30.122 23.074 47.551 1.00 55.60 O ATOM 678 C3' DC D 34 32.095 21.826 47.120 1.00 57.22 C ATOM 679 O3' DC D 34 32.707 22.200 45.893 1.00 59.49 O ATOM 680 C2' DC D 34 32.334 22.885 48.194 1.00 56.32 C ATOM 681 C1' DC D 34 31.260 23.878 47.761 1.00 54.23 C ATOM 682 N1 DC D 34 30.972 25.017 48.697 1.00 53.09 N ATOM 683 C2 DC D 34 30.583 26.243 48.134 1.00 52.43 C ATOM 684 O2 DC D 34 30.477 26.329 46.899 1.00 51.82 O ATOM 685 N3 DC D 34 30.327 27.295 48.964 1.00 51.75 N ATOM 686 C4 DC D 34 30.454 27.154 50.290 1.00 52.56 C ATOM 687 N4 DC D 34 30.189 28.216 51.060 1.00 52.42 N ATOM 688 C5 DC D 34 30.856 25.912 50.882 1.00 52.46 C ATOM 689 C6 DC D 34 31.101 24.882 50.057 1.00 52.83 C ATOM 690 P DA D 35 33.337 21.077 44.947 1.00 60.89 P ATOM 691 OP1 DA D 35 32.220 20.197 44.515 1.00 60.61 O ATOM 692 OP2 DA D 35 34.521 20.532 45.656 1.00 60.88 O ATOM 693 O5' DA D 35 33.900 21.906 43.689 1.00 60.46 O ATOM 694 C5' DA D 35 33.007 22.567 42.777 1.00 59.36 C ATOM 695 C4' DA D 35 33.437 24.000 42.472 1.00 57.79 C ATOM 696 O4' DA D 35 33.121 24.886 43.583 1.00 55.95 O ATOM 697 C3' DA D 35 34.919 24.217 42.157 1.00 58.11 C ATOM 698 O3' DA D 35 35.001 25.031 40.978 1.00 60.15 O ATOM 699 C2' DA D 35 35.460 24.909 43.416 1.00 55.99 C ATOM 700 C1' DA D 35 34.240 25.709 43.869 1.00 52.83 C ATOM 701 N9 DA D 35 34.170 26.063 45.290 1.00 51.86 N ATOM 702 C8 DA D 35 34.382 25.242 46.366 1.00 50.96 C ATOM 703 N7 DA D 35 34.228 25.837 47.526 1.00 50.70 N ATOM 704 C5 DA D 35 33.884 27.137 47.188 1.00 50.42 C ATOM 705 C6 DA D 35 33.589 28.274 47.969 1.00 50.57 C ATOM 706 N6 DA D 35 33.594 28.257 49.304 1.00 50.61 N ATOM 707 N1 DA D 35 33.285 29.425 47.327 1.00 50.58 N ATOM 708 C2 DA D 35 33.282 29.436 45.985 1.00 50.81 C ATOM 709 N3 DA D 35 33.537 28.431 45.141 1.00 50.66 N ATOM 710 C4 DA D 35 33.840 27.298 45.814 1.00 50.97 C ATOM 711 P DT D 36 36.340 25.228 40.113 1.00 61.75 P ATOM 712 OP1 DT D 36 36.104 24.579 38.805 1.00 61.36 O ATOM 713 OP2 DT D 36 37.522 24.849 40.927 1.00 61.87 O ATOM 714 O5' DT D 36 36.414 26.815 39.885 1.00 61.67 O ATOM 715 C5' DT D 36 35.433 27.706 40.427 1.00 61.33 C ATOM 716 C4' DT D 36 36.079 28.912 41.083 1.00 60.96 C ATOM 717 O4' DT D 36 35.868 28.859 42.519 1.00 60.15 O ATOM 718 C3' DT D 36 37.590 29.024 40.887 1.00 61.61 C ATOM 719 O3' DT D 36 37.951 30.378 40.645 1.00 63.42 O ATOM 720 C2' DT D 36 38.138 28.561 42.233 1.00 60.78 C ATOM 721 C1' DT D 36 37.089 29.195 43.141 1.00 58.71 C ATOM 722 N1 DT D 36 37.118 28.780 44.591 1.00 57.82 N ATOM 723 C2 DT D 36 36.691 29.684 45.554 1.00 57.03 C ATOM 724 O2 DT D 36 36.274 30.804 45.304 1.00 56.62 O ATOM 725 N3 DT D 36 36.762 29.220 46.847 1.00 56.62 N ATOM 726 C4 DT D 36 37.208 27.976 47.270 1.00 57.41 C ATOM 727 O4 DT D 36 37.228 27.666 48.460 1.00 57.42 O ATOM 728 C5 DT D 36 37.645 27.079 46.219 1.00 57.27 C ATOM 729 C7 DT D 36 38.151 25.701 46.548 1.00 57.41 C ATOM 730 C6 DT D 36 37.581 27.520 44.949 1.00 57.45 C ATOM 731 P DG D 37 38.140 30.971 39.167 1.00 64.20 P ATOM 732 OP1 DG D 37 36.956 30.559 38.365 1.00 64.36 O ATOM 733 OP2 DG D 37 39.520 30.667 38.710 1.00 63.78 O ATOM 734 O5' DG D 37 38.058 32.548 39.441 1.00 62.68 O ATOM 735 C5' DG D 37 36.984 33.070 40.237 1.00 60.44 C ATOM 736 C4' DG D 37 37.421 34.222 41.134 1.00 58.46 C ATOM 737 O4' DG D 37 37.662 33.787 42.503 1.00 56.41 O ATOM 738 C3' DG D 37 38.691 34.977 40.766 1.00 58.70 C ATOM 739 O3' DG D 37 38.494 36.272 41.311 1.00 60.77 O ATOM 740 C2' DG D 37 39.765 34.185 41.519 1.00 56.41 C ATOM 741 C1' DG D 37 39.032 33.964 42.843 1.00 52.49 C ATOM 742 N9 DG D 37 39.414 32.809 43.657 1.00 51.26 N ATOM 743 C8 DG D 37 39.902 31.581 43.259 1.00 50.63 C ATOM 744 N7 DG D 37 40.112 30.759 44.254 1.00 50.34 N ATOM 745 C5 DG D 37 39.734 31.487 45.380 1.00 50.17 C ATOM 746 C6 DG D 37 39.739 31.136 46.753 1.00 50.06 C ATOM 747 O6 DG D 37 40.091 30.066 47.261 1.00 50.24 O ATOM 748 N1 DG D 37 39.279 32.172 47.569 1.00 50.25 N ATOM 749 C2 DG D 37 38.864 33.405 47.109 1.00 50.36 C ATOM 750 N2 DG D 37 38.457 34.292 48.028 1.00 50.69 N ATOM 751 N3 DG D 37 38.853 33.752 45.829 1.00 50.24 N ATOM 752 C4 DG D 37 39.298 32.747 45.025 1.00 50.58 C ATOM 753 P DG D 38 39.347 37.564 40.903 1.00 63.05 P ATOM 754 OP1 DG D 38 38.673 38.106 39.699 1.00 63.12 O ATOM 755 OP2 DG D 38 40.805 37.242 40.857 1.00 62.32 O ATOM 756 O5' DG D 38 39.092 38.553 42.156 1.00 60.84 O ATOM 757 C5' DG D 38 38.527 38.095 43.409 1.00 57.23 C ATOM 758 C4' DG D 38 39.519 38.179 44.569 1.00 54.54 C ATOM 759 O4' DG D 38 39.963 36.855 44.987 1.00 52.85 O ATOM 760 C3' DG D 38 40.813 38.932 44.292 1.00 53.39 C ATOM 761 O3' DG D 38 41.207 39.590 45.481 1.00 54.80 O ATOM 762 C2' DG D 38 41.794 37.814 43.957 1.00 51.48 C ATOM 763 C1' DG D 38 41.378 36.864 45.069 1.00 47.36 C ATOM 764 N9 DG D 38 41.921 35.508 44.994 1.00 46.05 N ATOM 765 C8 DG D 38 42.378 34.825 43.886 1.00 45.31 C ATOM 766 N7 DG D 38 42.807 33.621 44.156 1.00 44.94 N ATOM 767 C5 DG D 38 42.628 33.502 45.533 1.00 44.92 C ATOM 768 C6 DG D 38 42.912 32.417 46.402 1.00 45.00 C ATOM 769 O6 DG D 38 43.394 31.318 46.098 1.00 45.15 O ATOM 770 N1 DG D 38 42.579 32.705 47.732 1.00 45.07 N ATOM 771 C2 DG D 38 42.040 33.904 48.163 1.00 45.06 C ATOM 772 N2 DG D 38 41.782 34.020 49.473 1.00 44.96 N ATOM 773 N3 DG D 38 41.767 34.928 47.359 1.00 44.43 N ATOM 774 C4 DG D 38 42.086 34.657 46.064 1.00 45.01 C ATOM 775 P DC D 39 41.946 41.001 45.387 1.00 55.57 P ATOM 776 OP1 DC D 39 40.917 41.950 44.897 1.00 56.14 O ATOM 777 OP2 DC D 39 43.233 40.820 44.664 1.00 55.20 O ATOM 778 O5' DC D 39 42.286 41.374 46.912 1.00 54.05 O ATOM 779 C5' DC D 39 41.468 40.897 48.001 1.00 50.68 C ATOM 780 C4' DC D 39 42.302 40.105 48.999 1.00 47.28 C ATOM 781 O4' DC D 39 42.628 38.790 48.477 1.00 45.48 O ATOM 782 C3' DC D 39 43.647 40.726 49.360 1.00 46.50 C ATOM 783 O3' DC D 39 43.794 40.602 50.748 1.00 46.96 O ATOM 784 C2' DC D 39 44.674 39.856 48.632 1.00 44.58 C ATOM 785 C1' DC D 39 43.982 38.506 48.766 1.00 41.32 C ATOM 786 N1 DC D 39 44.481 37.429 47.861 1.00 39.60 N ATOM 787 C2 DC D 39 44.714 36.140 48.376 1.00 38.08 C ATOM 788 O2 DC D 39 44.508 35.906 49.577 1.00 37.11 O ATOM 789 N3 DC D 39 45.165 35.171 47.533 1.00 36.90 N ATOM 790 C4 DC D 39 45.382 35.444 46.245 1.00 38.08 C ATOM 791 N4 DC D 39 45.827 34.460 45.458 1.00 38.46 N ATOM 792 C5 DC D 39 45.149 36.744 45.704 1.00 38.19 C ATOM 793 C6 DC D 39 44.702 37.694 46.538 1.00 38.75 C ATOM 794 P DA D 40 44.664 41.657 51.561 1.00 48.01 P ATOM 795 OP1 DA D 40 43.731 42.748 51.935 1.00 48.73 O ATOM 796 OP2 DA D 40 45.917 41.939 50.820 1.00 47.64 O ATOM 797 O5' DA D 40 45.028 40.863 52.906 1.00 45.46 O ATOM 798 C5' DA D 40 44.562 39.527 53.125 1.00 40.09 C ATOM 799 C4' DA D 40 45.706 38.606 53.518 1.00 35.72 C ATOM 800 O4' DA D 40 46.107 37.736 52.437 1.00 33.23 O ATOM 801 C3' DA D 40 46.985 39.280 53.970 1.00 33.98 C ATOM 802 O3' DA D 40 47.300 38.601 55.137 1.00 33.98 O ATOM 803 C2' DA D 40 48.004 39.008 52.862 1.00 32.82 C ATOM 804 C1' DA D 40 47.512 37.662 52.357 1.00 31.94 C ATOM 805 N9 DA D 40 47.779 37.343 50.962 1.00 31.27 N ATOM 806 C8 DA D 40 47.608 38.131 49.855 1.00 31.17 C ATOM 807 N7 DA D 40 47.924 37.534 48.726 1.00 31.23 N ATOM 808 C5 DA D 40 48.310 36.268 49.124 1.00 30.75 C ATOM 809 C6 DA D 40 48.758 35.139 48.417 1.00 30.87 C ATOM 810 N6 DA D 40 48.896 35.104 47.093 1.00 31.14 N ATOM 811 N1 DA D 40 49.070 34.038 49.131 1.00 30.85 N ATOM 812 C2 DA D 40 48.940 34.058 50.465 1.00 31.04 C ATOM 813 N3 DA D 40 48.518 35.054 51.242 1.00 30.70 N ATOM 814 C4 DA D 40 48.220 36.134 50.500 1.00 31.03 C ATOM 815 P DA D 41 48.383 39.171 56.144 1.00 32.26 P ATOM 816 OP1 DA D 41 47.946 38.777 57.500 1.00 33.33 O ATOM 817 OP2 DA D 41 48.690 40.587 55.829 1.00 32.65 O ATOM 818 O5' DA D 41 49.684 38.328 55.769 1.00 31.13 O ATOM 819 C5' DA D 41 49.676 36.908 55.789 1.00 27.36 C ATOM 820 C4' DA D 41 51.053 36.401 55.423 1.00 25.42 C ATOM 821 O4' DA D 41 51.085 36.189 53.998 1.00 23.04 O ATOM 822 C3' DA D 41 52.200 37.363 55.703 1.00 23.40 C ATOM 823 O3' DA D 41 53.372 36.623 55.920 1.00 25.03 O ATOM 824 C2' DA D 41 52.380 38.095 54.379 1.00 23.66 C ATOM 825 C1' DA D 41 52.161 36.916 53.443 1.00 22.59 C ATOM 826 N9 DA D 41 51.860 37.259 52.058 1.00 22.59 N ATOM 827 C8 DA D 41 51.328 38.413 51.549 1.00 22.10 C ATOM 828 N7 DA D 41 51.188 38.397 50.246 1.00 23.16 N ATOM 829 C5 DA D 41 51.657 37.141 49.887 1.00 22.91 C ATOM 830 C6 DA D 41 51.801 36.482 48.653 1.00 22.70 C ATOM 831 N6 DA D 41 51.447 37.028 47.487 1.00 22.90 N ATOM 832 N1 DA D 41 52.324 35.237 48.657 1.00 22.20 N ATOM 833 C2 DA D 41 52.679 34.672 49.810 1.00 21.58 C ATOM 834 N3 DA D 41 52.599 35.195 51.025 1.00 21.98 N ATOM 835 C4 DA D 41 52.084 36.435 50.991 1.00 22.28 C ATOM 836 P DA D 42 54.314 36.986 57.136 1.00 22.83 P ATOM 837 OP1 DA D 42 53.559 36.563 58.336 1.00 25.08 O ATOM 838 OP2 DA D 42 54.859 38.362 56.992 1.00 24.70 O ATOM 839 O5' DA D 42 55.591 36.031 57.002 1.00 27.05 O ATOM 840 C5' DA D 42 55.386 34.607 56.683 1.00 27.47 C ATOM 841 C4' DA D 42 56.642 34.085 55.958 1.00 27.90 C ATOM 842 O4' DA D 42 56.371 34.216 54.531 1.00 28.44 O ATOM 843 C3' DA D 42 57.958 34.802 56.264 1.00 27.91 C ATOM 844 O3' DA D 42 59.115 33.933 56.404 1.00 28.46 O ATOM 845 C2' DA D 42 58.160 35.741 55.066 1.00 28.38 C ATOM 846 C1' DA D 42 57.382 35.043 53.937 1.00 26.85 C ATOM 847 N9 DA D 42 56.630 35.968 53.082 1.00 28.17 N ATOM 848 C8 DA D 42 55.947 37.111 53.443 1.00 27.62 C ATOM 849 N7 DA D 42 55.312 37.712 52.454 1.00 27.37 N ATOM 850 C5 DA D 42 55.588 36.909 51.355 1.00 27.81 C ATOM 851 C6 DA D 42 55.241 36.997 49.985 1.00 27.96 C ATOM 852 N6 DA D 42 54.493 37.987 49.465 1.00 26.80 N ATOM 853 N1 DA D 42 55.672 36.008 49.161 1.00 27.01 N ATOM 854 C2 DA D 42 56.428 35.013 49.667 1.00 27.84 C ATOM 855 N3 DA D 42 56.852 34.835 50.925 1.00 28.09 N ATOM 856 C4 DA D 42 56.382 35.818 51.729 1.00 29.46 C TER 857 DA D 42 ATOM 858 N ARG A 5 27.254 19.106 41.609 1.00 52.21 N ATOM 859 CA ARG A 5 27.074 20.539 41.224 1.00 52.29 C ATOM 860 C ARG A 5 27.578 20.765 39.802 1.00 51.88 C ATOM 861 O ARG A 5 28.718 20.432 39.477 1.00 51.96 O ATOM 862 CB ARG A 5 27.811 21.459 42.212 1.00 52.28 C ATOM 863 CG ARG A 5 27.684 22.952 41.927 1.00 52.62 C ATOM 864 CD ARG A 5 28.676 23.775 42.743 1.00 52.88 C ATOM 865 NE ARG A 5 28.784 25.143 42.232 1.00 54.60 N ATOM 866 CZ ARG A 5 28.101 26.190 42.697 1.00 55.28 C ATOM 867 NH1 ARG A 5 27.248 26.048 43.705 1.00 55.72 N ATOM 868 NH2 ARG A 5 28.271 27.389 42.154 1.00 55.23 N ATOM 869 N THR A 6 26.721 21.331 38.957 1.00 51.64 N ATOM 870 CA THR A 6 27.104 21.641 37.580 1.00 51.23 C ATOM 871 C THR A 6 27.474 23.110 37.406 1.00 50.58 C ATOM 872 O THR A 6 26.914 23.985 38.066 1.00 50.60 O ATOM 873 CB THR A 6 26.002 21.257 36.571 1.00 51.33 C ATOM 874 OG1 THR A 6 24.731 21.703 37.058 1.00 51.60 O ATOM 875 CG2 THR A 6 25.978 19.739 36.356 1.00 51.65 C ATOM 876 N ALA A 7 28.443 23.369 36.532 1.00 49.83 N ATOM 877 CA ALA A 7 28.785 24.730 36.144 1.00 49.00 C ATOM 878 C ALA A 7 28.426 24.913 34.679 1.00 48.41 C ATOM 879 O ALA A 7 28.919 24.186 33.813 1.00 48.36 O ATOM 880 CB ALA A 7 30.260 25.010 36.384 1.00 49.09 C ATOM 881 N PHE A 8 27.544 25.870 34.412 1.00 47.56 N ATOM 882 CA PHE A 8 27.093 26.143 33.055 1.00 46.84 C ATOM 883 C PHE A 8 28.188 26.882 32.294 1.00 46.55 C ATOM 884 O PHE A 8 28.830 27.780 32.841 1.00 46.51 O ATOM 885 CB PHE A 8 25.800 26.978 33.057 1.00 46.47 C ATOM 886 CG PHE A 8 24.726 26.455 33.983 1.00 46.05 C ATOM 887 CD1 PHE A 8 24.069 25.261 33.713 1.00 45.70 C ATOM 888 CD2 PHE A 8 24.361 27.168 35.118 1.00 45.09 C ATOM 889 CE1 PHE A 8 23.070 24.781 34.568 1.00 46.41 C ATOM 890 CE2 PHE A 8 23.364 26.691 35.975 1.00 45.09 C ATOM 891 CZ PHE A 8 22.721 25.503 35.700 1.00 44.50 C ATOM 892 N SER A 9 28.397 26.488 31.040 1.00 46.06 N ATOM 893 CA SER A 9 29.340 27.156 30.144 1.00 45.80 C ATOM 894 C SER A 9 28.877 28.581 29.840 1.00 45.50 C ATOM 895 O SER A 9 27.690 28.898 30.000 1.00 45.02 O ATOM 896 CB SER A 9 29.449 26.372 28.839 1.00 45.89 C ATOM 897 OG SER A 9 28.199 26.357 28.174 1.00 46.19 O ATOM 898 N SER A 10 29.801 29.432 29.392 1.00 45.18 N ATOM 899 CA SER A 10 29.455 30.818 29.053 1.00 45.11 C ATOM 900 C SER A 10 28.364 30.897 27.976 1.00 44.90 C ATOM 901 O SER A 10 27.507 31.771 28.024 1.00 45.10 O ATOM 902 CB SER A 10 30.692 31.618 28.638 1.00 45.13 C ATOM 903 OG SER A 10 31.292 31.074 27.479 1.00 45.58 O ATOM 904 N GLU A 11 28.393 29.964 27.028 1.00 44.54 N ATOM 905 CA GLU A 11 27.376 29.850 25.978 1.00 44.32 C ATOM 906 C GLU A 11 25.985 29.515 26.536 1.00 43.51 C ATOM 907 O GLU A 11 24.974 30.019 26.040 1.00 43.14 O ATOM 908 CB GLU A 11 27.807 28.789 24.961 1.00 44.50 C ATOM 909 CG GLU A 11 26.967 28.728 23.695 1.00 45.43 C ATOM 910 CD GLU A 11 27.554 27.789 22.661 1.00 45.65 C ATOM 911 OE1 GLU A 11 27.705 26.581 22.954 1.00 47.50 O ATOM 912 OE2 GLU A 11 27.876 28.263 21.552 1.00 47.71 O ATOM 913 N GLN A 12 25.940 28.658 27.554 1.00 42.70 N ATOM 914 CA GLN A 12 24.684 28.326 28.218 1.00 41.94 C ATOM 915 C GLN A 12 24.170 29.517 29.034 1.00 42.24 C ATOM 916 O GLN A 12 22.991 29.863 28.950 1.00 42.48 O ATOM 917 CB GLN A 12 24.843 27.087 29.093 1.00 41.67 C ATOM 918 CG GLN A 12 24.791 25.764 28.309 1.00 41.34 C ATOM 919 CD GLN A 12 25.331 24.575 29.087 1.00 41.18 C ATOM 920 OE1 GLN A 12 26.105 24.733 30.029 1.00 41.04 O ATOM 921 NE2 GLN A 12 24.935 23.373 28.681 1.00 38.92 N ATOM 922 N LEU A 13 25.060 30.141 29.808 1.00 41.96 N ATOM 923 CA LEU A 13 24.707 31.311 30.614 1.00 41.79 C ATOM 924 C LEU A 13 24.259 32.485 29.746 1.00 41.01 C ATOM 925 O LEU A 13 23.287 33.162 30.070 1.00 41.47 O ATOM 926 CB LEU A 13 25.864 31.722 31.535 1.00 42.06 C ATOM 927 CG LEU A 13 26.167 30.773 32.704 1.00 42.41 C ATOM 928 CD1 LEU A 13 27.446 31.180 33.419 1.00 43.64 C ATOM 929 CD2 LEU A 13 24.992 30.671 33.690 1.00 43.16 C ATOM 930 N ALA A 14 24.957 32.717 28.641 1.00 40.36 N ATOM 931 CA ALA A 14 24.557 33.755 27.694 1.00 39.90 C ATOM 932 C ALA A 14 23.132 33.523 27.189 1.00 39.59 C ATOM 933 O ALA A 14 22.333 34.447 27.165 1.00 39.28 O ATOM 934 CB ALA A 14 25.550 33.857 26.520 1.00 39.86 C ATOM 935 N ARG A 15 22.818 32.287 26.806 1.00 39.23 N ATOM 936 CA ARG A 15 21.490 31.950 26.304 1.00 39.47 C ATOM 937 C ARG A 15 20.414 32.017 27.385 1.00 38.75 C ATOM 938 O ARG A 15 19.332 32.556 27.148 1.00 38.34 O ATOM 939 CB ARG A 15 21.494 30.565 25.663 1.00 40.05 C ATOM 940 CG ARG A 15 20.122 30.072 25.212 1.00 43.13 C ATOM 941 CD ARG A 15 19.547 30.907 24.047 1.00 46.54 C ATOM 942 NE ARG A 15 18.218 30.419 23.685 1.00 49.45 N ATOM 943 CZ ARG A 15 17.984 29.417 22.839 1.00 52.54 C ATOM 944 NH1 ARG A 15 18.986 28.795 22.220 1.00 53.24 N ATOM 945 NH2 ARG A 15 16.735 29.041 22.596 1.00 53.61 N ATOM 946 N LEU A 16 20.701 31.430 28.548 1.00 38.39 N ATOM 947 CA LEU A 16 19.825 31.534 29.715 1.00 37.89 C ATOM 948 C LEU A 16 19.493 32.992 30.069 1.00 38.53 C ATOM 949 O LEU A 16 18.322 33.316 30.293 1.00 38.92 O ATOM 950 CB LEU A 16 20.453 30.825 30.907 1.00 37.81 C ATOM 951 CG LEU A 16 20.483 29.293 30.857 1.00 36.12 C ATOM 952 CD1 LEU A 16 21.533 28.798 31.814 1.00 37.71 C ATOM 953 CD2 LEU A 16 19.123 28.745 31.254 1.00 39.33 C ATOM 954 N LYS A 17 20.511 33.856 30.110 1.00 38.73 N ATOM 955 CA LYS A 17 20.313 35.291 30.381 1.00 38.98 C ATOM 956 C LYS A 17 19.436 36.003 29.343 1.00 38.78 C ATOM 957 O LYS A 17 18.573 36.793 29.705 1.00 38.66 O ATOM 958 CB LYS A 17 21.656 36.021 30.557 1.00 39.69 C ATOM 959 CG LYS A 17 22.365 35.672 31.869 1.00 40.92 C ATOM 960 N ARG A 18 19.678 35.746 28.059 1.00 38.82 N ATOM 961 CA AARG A 18 18.854 36.321 27.002 0.50 38.94 C ATOM 962 CA BARG A 18 18.850 36.304 26.985 0.50 38.73 C ATOM 963 C ARG A 18 17.414 35.802 27.097 1.00 38.80 C ATOM 964 O ARG A 18 16.469 36.549 26.871 1.00 39.02 O ATOM 965 CB AARG A 18 19.454 36.029 25.624 0.50 38.83 C ATOM 966 CB BARG A 18 19.391 35.926 25.604 0.50 38.69 C ATOM 967 CG AARG A 18 18.906 36.903 24.499 0.50 39.84 C ATOM 968 CG BARG A 18 20.861 36.207 25.379 0.50 39.07 C ATOM 969 CD AARG A 18 19.689 36.736 23.187 0.50 39.54 C ATOM 970 CD BARG A 18 21.274 35.793 23.974 0.50 40.24 C ATOM 971 NE AARG A 18 19.704 35.353 22.702 0.50 41.72 N ATOM 972 NE BARG A 18 22.695 35.455 23.885 0.50 41.48 N ATOM 973 CZ AARG A 18 20.796 34.598 22.579 0.50 42.17 C ATOM 974 CZ BARG A 18 23.168 34.277 23.484 0.50 41.93 C ATOM 975 NH1AARG A 18 21.993 35.090 22.888 0.50 42.70 N ATOM 976 NH1BARG A 18 22.344 33.304 23.106 0.50 41.43 N ATOM 977 NH2AARG A 18 20.694 33.350 22.129 0.50 40.87 N ATOM 978 NH2BARG A 18 24.477 34.076 23.440 0.50 42.55 N ATOM 979 N GLU A 19 17.246 34.519 27.428 1.00 38.13 N ATOM 980 CA GLU A 19 15.907 33.968 27.592 1.00 38.38 C ATOM 981 C GLU A 19 15.237 34.617 28.828 1.00 37.84 C ATOM 982 O GLU A 19 14.073 35.017 28.773 1.00 38.78 O ATOM 983 CB GLU A 19 15.931 32.417 27.690 1.00 37.88 C ATOM 984 CG GLU A 19 16.390 31.702 26.405 1.00 40.92 C ATOM 985 CD GLU A 19 15.329 31.645 25.320 1.00 44.55 C ATOM 986 OE1 GLU A 19 14.162 31.998 25.603 1.00 46.14 O ATOM 987 OE2 GLU A 19 15.663 31.240 24.174 1.00 48.74 O ATOM 988 N PHE A 20 15.987 34.753 29.919 1.00 37.57 N ATOM 989 CA PHE A 20 15.480 35.380 31.155 1.00 37.60 C ATOM 990 C PHE A 20 15.026 36.846 30.934 1.00 37.71 C ATOM 991 O PHE A 20 14.007 37.292 31.503 1.00 35.98 O ATOM 992 CB PHE A 20 16.550 35.335 32.253 1.00 37.58 C ATOM 993 CG PHE A 20 16.069 35.818 33.592 1.00 38.06 C ATOM 994 CD1 PHE A 20 15.429 34.943 34.464 1.00 39.06 C ATOM 995 CD2 PHE A 20 16.256 37.161 33.989 1.00 39.02 C ATOM 996 CE1 PHE A 20 14.972 35.386 35.709 1.00 41.03 C ATOM 997 CE2 PHE A 20 15.795 37.606 35.250 1.00 37.78 C ATOM 998 CZ PHE A 20 15.144 36.718 36.088 1.00 37.67 C ATOM 999 N ASN A 21 15.800 37.575 30.135 1.00 37.90 N ATOM 1000 CA AASN A 21 15.472 38.957 29.784 0.50 38.21 C ATOM 1001 CA BASN A 21 15.494 38.960 29.751 0.50 38.12 C ATOM 1002 C ASN A 21 14.141 39.043 29.041 1.00 38.52 C ATOM 1003 O ASN A 21 13.348 39.940 29.301 1.00 39.04 O ATOM 1004 CB AASN A 21 16.591 39.586 28.943 0.50 38.37 C ATOM 1005 CB BASN A 21 16.624 39.497 28.849 0.50 38.14 C ATOM 1006 CG AASN A 21 17.812 39.968 29.770 0.50 38.80 C ATOM 1007 CG BASN A 21 16.297 40.843 28.209 0.50 38.28 C ATOM 1008 OD1AASN A 21 17.835 39.814 30.991 0.50 40.27 O ATOM 1009 OD1BASN A 21 15.925 40.910 27.036 0.50 41.02 O ATOM 1010 ND2AASN A 21 18.835 40.475 29.099 0.50 40.11 N ATOM 1011 ND2BASN A 21 16.462 41.919 28.966 0.50 36.38 N ATOM 1012 N GLU A 22 13.890 38.094 28.132 1.00 38.45 N ATOM 1013 CA GLU A 22 12.637 38.041 27.372 1.00 39.48 C ATOM 1014 C GLU A 22 11.428 37.597 28.212 1.00 38.94 C ATOM 1015 O GLU A 22 10.364 38.206 28.132 1.00 39.10 O ATOM 1016 CB GLU A 22 12.794 37.147 26.142 1.00 39.51 C ATOM 1017 CG GLU A 22 13.748 37.714 25.108 1.00 42.88 C ATOM 1018 CD GLU A 22 13.959 36.786 23.923 1.00 43.45 C ATOM 1019 OE1 GLU A 22 13.930 35.538 24.102 1.00 49.70 O ATOM 1020 OE2 GLU A 22 14.168 37.312 22.810 1.00 49.02 O ATOM 1021 N ASN A 23 11.600 36.538 29.004 1.00 39.26 N ATOM 1022 CA AASN A 23 10.557 36.072 29.916 0.50 39.32 C ATOM 1023 CA BASN A 23 10.549 35.990 29.875 0.50 39.14 C ATOM 1024 C ASN A 23 11.183 35.481 31.174 1.00 39.23 C ATOM 1025 O ASN A 23 11.911 34.485 31.131 1.00 38.77 O ATOM 1026 CB AASN A 23 9.622 35.064 29.228 0.50 39.57 C ATOM 1027 CB BASN A 23 9.848 34.797 29.192 0.50 39.18 C ATOM 1028 CG AASN A 23 8.421 34.677 30.095 0.50 40.30 C ATOM 1029 CG BASN A 23 9.258 35.137 27.840 0.50 38.96 C ATOM 1030 OD1AASN A 23 8.231 35.175 31.218 0.50 41.19 O ATOM 1031 OD1BASN A 23 8.203 35.756 27.749 0.50 38.85 O ATOM 1032 ND2AASN A 23 7.609 33.770 29.578 0.50 38.91 N ATOM 1033 ND2BASN A 23 9.922 34.696 26.776 0.50 38.76 N ATOM 1034 N ARG A 24 10.918 36.121 32.316 1.00 40.04 N ATOM 1035 CA ARG A 24 11.552 35.686 33.561 1.00 40.77 C ATOM 1036 C ARG A 24 10.935 34.417 34.148 1.00 40.40 C ATOM 1037 O ARG A 24 11.486 33.845 35.085 1.00 40.21 O ATOM 1038 CB ARG A 24 11.655 36.837 34.594 1.00 41.74 C ATOM 1039 CG ARG A 24 10.355 37.326 35.223 1.00 42.09 C ATOM 1040 CD ARG A 24 10.504 38.750 35.881 1.00 42.08 C ATOM 1041 NE ARG A 24 9.499 38.976 36.914 1.00 45.08 N ATOM 1042 CZ ARG A 24 8.214 39.273 36.694 1.00 46.84 C ATOM 1043 NH1 ARG A 24 7.736 39.399 35.449 1.00 43.88 N ATOM 1044 NH2 ARG A 24 7.393 39.420 37.734 1.00 44.05 N ATOM 1045 N TYR A 25 9.814 33.972 33.568 1.00 39.87 N ATOM 1046 CA TYR A 25 9.145 32.723 33.960 1.00 39.70 C ATOM 1047 C TYR A 25 9.022 31.823 32.764 1.00 40.28 C ATOM 1048 O TYR A 25 8.484 32.216 31.725 1.00 39.92 O ATOM 1049 CB TYR A 25 7.753 32.968 34.571 1.00 38.66 C ATOM 1050 CG TYR A 25 7.801 33.656 35.926 1.00 37.48 C ATOM 1051 CD1 TYR A 25 7.943 32.917 37.101 1.00 36.71 C ATOM 1052 CD2 TYR A 25 7.726 35.045 36.021 1.00 38.53 C ATOM 1053 CE1 TYR A 25 7.990 33.546 38.344 1.00 36.19 C ATOM 1054 CE2 TYR A 25 7.763 35.687 37.255 1.00 36.85 C ATOM 1055 CZ TYR A 25 7.918 34.926 38.408 1.00 37.28 C ATOM 1056 OH TYR A 25 7.976 35.555 39.623 1.00 38.10 O ATOM 1057 N LEU A 26 9.525 30.612 32.946 1.00 41.73 N ATOM 1058 CA LEU A 26 9.449 29.501 31.989 1.00 43.34 C ATOM 1059 C LEU A 26 8.087 28.863 31.900 1.00 43.16 C ATOM 1060 O LEU A 26 7.457 28.602 32.912 1.00 43.24 O ATOM 1061 CB LEU A 26 10.350 28.380 32.489 1.00 44.53 C ATOM 1062 CG LEU A 26 11.865 28.482 32.497 1.00 45.61 C ATOM 1063 CD1 LEU A 26 12.348 27.152 33.060 1.00 48.18 C ATOM 1064 CD2 LEU A 26 12.396 28.714 31.070 1.00 45.24 C ATOM 1065 N THR A 27 7.651 28.551 30.689 1.00 42.30 N ATOM 1066 CA THR A 27 6.538 27.650 30.534 1.00 43.02 C ATOM 1067 C THR A 27 7.175 26.266 30.482 1.00 43.00 C ATOM 1068 O THR A 27 8.389 26.155 30.302 1.00 42.60 O ATOM 1069 CB THR A 27 5.820 27.891 29.232 1.00 42.98 C ATOM 1070 OG1 THR A 27 6.786 27.846 28.179 1.00 43.24 O ATOM 1071 CG2 THR A 27 5.133 29.256 29.227 1.00 43.68 C ATOM 1072 N GLU A 28 6.363 25.224 30.648 1.00 43.36 N ATOM 1073 CA GLU A 28 6.819 23.841 30.522 1.00 43.72 C ATOM 1074 C GLU A 28 7.485 23.612 29.158 1.00 43.65 C ATOM 1075 O GLU A 28 8.602 23.109 29.079 1.00 43.07 O ATOM 1076 CB GLU A 28 5.624 22.899 30.706 1.00 44.22 C ATOM 1077 CG GLU A 28 5.911 21.424 30.503 1.00 45.42 C ATOM 1078 CD GLU A 28 4.645 20.623 30.325 1.00 48.34 C ATOM 1079 OE1 GLU A 28 3.821 20.994 29.459 1.00 50.20 O ATOM 1080 OE2 GLU A 28 4.472 19.617 31.045 1.00 49.66 O ATOM 1081 N ARG A 29 6.782 24.009 28.098 1.00 43.88 N ATOM 1082 CA ARG A 29 7.278 23.959 26.716 1.00 44.15 C ATOM 1083 C ARG A 29 8.682 24.574 26.561 1.00 43.98 C ATOM 1084 O ARG A 29 9.620 23.886 26.146 1.00 43.96 O ATOM 1085 CB ARG A 29 6.256 24.621 25.773 1.00 44.03 C ATOM 1086 CG ARG A 29 6.489 24.375 24.290 1.00 45.02 C ATOM 1087 CD ARG A 29 5.253 24.709 23.467 1.00 45.06 C ATOM 1088 NE ARG A 29 5.363 24.259 22.075 1.00 46.84 N ATOM 1089 CZ ARG A 29 4.940 23.082 21.619 1.00 46.63 C ATOM 1090 NH1 ARG A 29 4.362 22.206 22.435 1.00 46.31 N ATOM 1091 NH2 ARG A 29 5.082 22.782 20.333 1.00 48.08 N ATOM 1092 N ARG A 30 8.817 25.851 26.922 1.00 43.33 N ATOM 1093 CA ARG A 30 10.068 26.600 26.809 1.00 43.12 C ATOM 1094 C ARG A 30 11.171 25.986 27.671 1.00 42.46 C ATOM 1095 O ARG A 30 12.327 25.908 27.253 1.00 41.63 O ATOM 1096 CB ARG A 30 9.833 28.032 27.276 1.00 44.16 C ATOM 1097 CG ARG A 30 10.871 29.030 26.828 1.00 48.10 C ATOM 1098 CD ARG A 30 10.341 30.456 27.024 1.00 51.73 C ATOM 1099 NE ARG A 30 10.565 30.897 28.395 1.00 57.35 N ATOM 1100 CZ ARG A 30 11.430 31.841 28.756 1.00 58.92 C ATOM 1101 NH1 ARG A 30 12.151 32.501 27.846 1.00 60.23 N ATOM 1102 NH2 ARG A 30 11.561 32.130 30.037 1.00 60.30 N ATOM 1103 N ARG A 31 10.811 25.566 28.878 1.00 40.53 N ATOM 1104 CA ARG A 31 11.753 24.842 29.739 1.00 41.85 C ATOM 1105 C ARG A 31 12.297 23.593 29.034 1.00 41.11 C ATOM 1106 O ARG A 31 13.497 23.360 29.082 1.00 41.09 O ATOM 1107 CB ARG A 31 11.110 24.461 31.084 1.00 40.68 C ATOM 1108 CG ARG A 31 11.970 23.555 31.977 1.00 43.88 C ATOM 1109 CD ARG A 31 11.192 22.925 33.177 1.00 43.20 C ATOM 1110 NE ARG A 31 10.297 21.825 32.794 1.00 49.55 N ATOM 1111 CZ ARG A 31 8.990 21.759 33.076 1.00 51.39 C ATOM 1112 NH1 ARG A 31 8.386 22.729 33.760 1.00 53.90 N ATOM 1113 NH2 ARG A 31 8.278 20.716 32.674 1.00 52.36 N ATOM 1114 N GLN A 32 11.411 22.805 28.417 1.00 41.13 N ATOM 1115 CA GLN A 32 11.795 21.574 27.706 1.00 41.99 C ATOM 1116 C GLN A 32 12.720 21.926 26.538 1.00 41.89 C ATOM 1117 O GLN A 32 13.783 21.332 26.367 1.00 42.13 O ATOM 1118 CB GLN A 32 10.572 20.815 27.161 1.00 41.41 C ATOM 1119 CG GLN A 32 9.637 20.151 28.183 1.00 41.95 C ATOM 1120 CD GLN A 32 8.417 19.519 27.518 1.00 42.27 C ATOM 1121 OE1 GLN A 32 7.848 20.083 26.577 1.00 44.66 O ATOM 1122 NE2 GLN A 32 8.021 18.333 27.987 1.00 40.91 N ATOM 1123 N GLN A 33 12.301 22.910 25.760 1.00 41.95 N ATOM 1124 CA GLN A 33 13.005 23.325 24.553 1.00 42.42 C ATOM 1125 C GLN A 33 14.384 23.926 24.848 1.00 41.96 C ATOM 1126 O GLN A 33 15.370 23.535 24.231 1.00 42.01 O ATOM 1127 CB GLN A 33 12.114 24.268 23.756 1.00 42.57 C ATOM 1128 CG GLN A 33 10.886 23.543 23.192 1.00 43.75 C ATOM 1129 CD GLN A 33 9.947 24.436 22.398 1.00 43.73 C ATOM 1130 OE1 GLN A 33 10.193 25.628 22.217 1.00 44.46 O ATOM 1131 NE2 GLN A 33 8.858 23.851 21.916 1.00 46.72 N ATOM 1132 N LEU A 34 14.445 24.849 25.802 1.00 42.03 N ATOM 1133 CA LEU A 34 15.715 25.377 26.340 1.00 42.34 C ATOM 1134 C LEU A 34 16.690 24.324 26.838 1.00 42.27 C ATOM 1135 O LEU A 34 17.878 24.371 26.518 1.00 42.08 O ATOM 1136 CB LEU A 34 15.466 26.393 27.457 1.00 42.27 C ATOM 1137 CG LEU A 34 15.719 27.861 27.180 1.00 43.57 C ATOM 1138 CD1 LEU A 34 15.509 28.639 28.468 1.00 43.71 C ATOM 1139 CD2 LEU A 34 17.121 28.086 26.597 1.00 43.64 C ATOM 1140 N SER A 35 16.175 23.378 27.618 1.00 42.34 N ATOM 1141 CA ASER A 35 16.988 22.290 28.131 0.50 42.45 C ATOM 1142 CA BSER A 35 16.950 22.245 28.131 0.50 42.44 C ATOM 1143 C SER A 35 17.575 21.434 27.004 1.00 42.29 C ATOM 1144 O SER A 35 18.776 21.137 27.015 1.00 42.84 O ATOM 1145 CB ASER A 35 16.178 21.470 29.141 0.50 42.46 C ATOM 1146 CB BSER A 35 16.059 21.350 29.013 0.50 42.42 C ATOM 1147 OG ASER A 35 15.582 22.353 30.083 0.50 42.72 O ATOM 1148 OG BSER A 35 16.506 20.005 29.025 0.50 42.71 O ATOM 1149 N SER A 36 16.744 21.075 26.023 1.00 42.11 N ATOM 1150 CA SER A 36 17.142 20.289 24.855 1.00 41.40 C ATOM 1151 C SER A 36 18.250 20.991 24.063 1.00 41.76 C ATOM 1152 O SER A 36 19.309 20.415 23.790 1.00 41.01 O ATOM 1153 CB SER A 36 15.907 20.051 23.974 1.00 41.06 C ATOM 1154 OG SER A 36 16.154 19.214 22.864 1.00 41.41 O ATOM 1155 N GLU A 37 17.996 22.247 23.711 1.00 41.80 N ATOM 1156 CA GLU A 37 18.961 23.083 23.006 1.00 42.21 C ATOM 1157 C GLU A 37 20.276 23.319 23.758 1.00 41.49 C ATOM 1158 O GLU A 37 21.326 23.391 23.143 1.00 41.34 O ATOM 1159 CB GLU A 37 18.323 24.425 22.681 1.00 42.70 C ATOM 1160 CG GLU A 37 17.267 24.365 21.583 1.00 46.14 C ATOM 1161 CD GLU A 37 16.331 25.561 21.649 1.00 50.97 C ATOM 1162 OE1 GLU A 37 16.606 26.470 22.459 1.00 53.80 O ATOM 1163 OE2 GLU A 37 15.328 25.601 20.901 1.00 52.55 O ATOM 1164 N LEU A 38 20.231 23.441 25.082 1.00 40.79 N ATOM 1165 CA LEU A 38 21.457 23.731 25.822 1.00 40.35 C ATOM 1166 C LEU A 38 22.245 22.502 26.282 1.00 40.48 C ATOM 1167 O LEU A 38 23.381 22.623 26.748 1.00 40.42 O ATOM 1168 CB LEU A 38 21.182 24.682 26.983 1.00 40.76 C ATOM 1169 CG LEU A 38 20.810 26.111 26.564 1.00 39.65 C ATOM 1170 CD1 LEU A 38 20.585 26.974 27.781 1.00 39.76 C ATOM 1171 CD2 LEU A 38 21.893 26.714 25.641 1.00 41.14 C ATOM 1172 N GLY A 39 21.650 21.321 26.130 1.00 40.33 N ATOM 1173 CA GLY A 39 22.230 20.098 26.678 1.00 40.06 C ATOM 1174 C GLY A 39 22.174 20.077 28.198 1.00 39.58 C ATOM 1175 O GLY A 39 23.126 19.656 28.855 1.00 39.53 O ATOM 1176 N LEU A 40 21.062 20.543 28.760 1.00 39.56 N ATOM 1177 CA LEU A 40 20.871 20.552 30.212 1.00 38.79 C ATOM 1178 C LEU A 40 19.620 19.775 30.590 1.00 38.73 C ATOM 1179 O LEU A 40 18.729 19.581 29.768 1.00 38.47 O ATOM 1180 CB LEU A 40 20.767 21.996 30.742 1.00 39.55 C ATOM 1181 CG LEU A 40 21.991 22.891 30.559 1.00 39.24 C ATOM 1182 CD1 LEU A 40 21.638 24.356 30.762 1.00 39.49 C ATOM 1183 CD2 LEU A 40 23.130 22.463 31.471 1.00 39.46 C ATOM 1184 N ASN A 41 19.548 19.331 31.839 1.00 37.84 N ATOM 1185 CA ASN A 41 18.320 18.767 32.340 1.00 38.05 C ATOM 1186 C ASN A 41 17.361 19.859 32.707 1.00 37.90 C ATOM 1187 O ASN A 41 17.778 20.948 33.114 1.00 38.55 O ATOM 1188 CB ASN A 41 18.589 17.881 33.552 1.00 38.54 C ATOM 1189 CG ASN A 41 19.532 16.763 33.238 1.00 38.37 C ATOM 1190 OD1 ASN A 41 19.372 16.064 32.242 1.00 38.83 O ATOM 1191 ND2 ASN A 41 20.527 16.583 34.084 1.00 39.68 N ATOM 1192 N GLU A 42 16.073 19.580 32.565 1.00 37.81 N ATOM 1193 CA GLU A 42 15.041 20.575 32.869 1.00 38.07 C ATOM 1194 C GLU A 42 15.098 21.137 34.288 1.00 38.49 C ATOM 1195 O GLU A 42 14.860 22.331 34.475 1.00 37.88 O ATOM 1196 CB GLU A 42 13.646 20.039 32.560 1.00 38.26 C ATOM 1197 CG GLU A 42 13.395 19.896 31.071 1.00 38.51 C ATOM 1198 CD GLU A 42 12.038 19.291 30.753 1.00 43.45 C ATOM 1199 OE1 GLU A 42 11.058 19.556 31.487 1.00 45.78 O ATOM 1200 OE2 GLU A 42 11.946 18.533 29.773 1.00 42.46 O ATOM 1201 N ALA A 43 15.440 20.296 35.270 1.00 38.98 N ATOM 1202 CA ALA A 43 15.607 20.768 36.641 1.00 39.01 C ATOM 1203 C ALA A 43 16.701 21.837 36.795 1.00 39.02 C ATOM 1204 O ALA A 43 16.584 22.725 37.643 1.00 38.66 O ATOM 1205 CB ALA A 43 15.872 19.601 37.584 1.00 38.21 C ATOM 1206 N GLN A 44 17.761 21.742 35.996 1.00 39.35 N ATOM 1207 CA GLN A 44 18.862 22.703 36.062 1.00 39.55 C ATOM 1208 C GLN A 44 18.455 24.066 35.495 1.00 39.79 C ATOM 1209 O GLN A 44 18.820 25.113 36.035 1.00 38.86 O ATOM 1210 CB GLN A 44 20.075 22.174 35.303 1.00 39.99 C ATOM 1211 CG GLN A 44 20.741 20.955 35.915 1.00 40.02 C ATOM 1212 CD GLN A 44 21.756 20.340 34.974 1.00 41.60 C ATOM 1213 OE1 GLN A 44 21.435 19.962 33.849 1.00 40.67 O ATOM 1214 NE2 GLN A 44 22.994 20.249 35.427 1.00 42.24 N ATOM 1215 N VAL A 45 17.745 24.039 34.368 1.00 39.49 N ATOM 1216 CA VAL A 45 17.187 25.246 33.757 1.00 39.01 C ATOM 1217 C VAL A 45 16.118 25.865 34.667 1.00 40.02 C ATOM 1218 O VAL A 45 16.115 27.077 34.900 1.00 40.45 O ATOM 1219 CB VAL A 45 16.618 24.946 32.329 1.00 38.99 C ATOM 1220 CG1 VAL A 45 15.961 26.180 31.729 1.00 37.77 C ATOM 1221 CG2 VAL A 45 17.746 24.471 31.411 1.00 37.28 C ATOM 1222 N LYS A 46 15.217 25.044 35.200 1.00 40.72 N ATOM 1223 CA LYS A 46 14.204 25.541 36.140 1.00 40.73 C ATOM 1224 C LYS A 46 14.873 26.185 37.371 1.00 39.99 C ATOM 1225 O LYS A 46 14.503 27.291 37.788 1.00 39.81 O ATOM 1226 CB LYS A 46 13.284 24.396 36.568 1.00 41.92 C ATOM 1227 CG LYS A 46 12.159 24.823 37.479 1.00 45.48 C ATOM 1228 CD LYS A 46 11.759 23.711 38.431 1.00 50.90 C ATOM 1229 CE LYS A 46 10.879 24.250 39.554 1.00 53.87 C ATOM 1230 NZ LYS A 46 11.685 24.778 40.710 1.00 57.01 N ATOM 1231 N GLY A 47 15.861 25.500 37.937 1.00 39.68 N ATOM 1232 CA GLY A 47 16.607 26.019 39.079 1.00 39.24 C ATOM 1233 C GLY A 47 17.384 27.308 38.840 1.00 38.87 C ATOM 1234 O GLY A 47 17.499 28.139 39.738 1.00 39.10 O ATOM 1235 N TRP A 48 17.968 27.444 37.656 1.00 38.12 N ATOM 1236 CA TRP A 48 18.642 28.673 37.266 1.00 38.18 C ATOM 1237 C TRP A 48 17.685 29.875 37.283 1.00 37.47 C ATOM 1238 O TRP A 48 18.003 30.909 37.853 1.00 36.60 O ATOM 1239 CB TRP A 48 19.333 28.523 35.893 1.00 38.56 C ATOM 1240 CG TRP A 48 20.211 29.698 35.594 1.00 39.00 C ATOM 1241 CD1 TRP A 48 21.530 29.841 35.911 1.00 38.32 C ATOM 1242 CD2 TRP A 48 19.819 30.915 34.944 1.00 39.12 C ATOM 1243 NE1 TRP A 48 21.989 31.067 35.490 1.00 38.28 N ATOM 1244 CE2 TRP A 48 20.960 31.742 34.888 1.00 39.46 C ATOM 1245 CE3 TRP A 48 18.617 31.380 34.391 1.00 38.88 C ATOM 1246 CZ2 TRP A 48 20.933 33.016 34.312 1.00 39.45 C ATOM 1247 CZ3 TRP A 48 18.593 32.667 33.835 1.00 37.80 C ATOM 1248 CH2 TRP A 48 19.740 33.450 33.791 1.00 38.73 C ATOM 1249 N PHE A 49 16.520 29.724 36.647 1.00 37.59 N ATOM 1250 CA PHE A 49 15.494 30.759 36.603 1.00 37.98 C ATOM 1251 C PHE A 49 15.026 31.127 38.040 1.00 38.84 C ATOM 1252 O PHE A 49 14.941 32.329 38.397 1.00 39.66 O ATOM 1253 CB PHE A 49 14.329 30.333 35.687 1.00 37.25 C ATOM 1254 CG PHE A 49 14.512 30.732 34.238 1.00 39.72 C ATOM 1255 CD1 PHE A 49 13.790 31.796 33.695 1.00 38.40 C ATOM 1256 CD2 PHE A 49 15.389 30.018 33.412 1.00 37.76 C ATOM 1257 CE1 PHE A 49 13.963 32.169 32.328 1.00 38.47 C ATOM 1258 CE2 PHE A 49 15.583 30.394 32.048 1.00 41.20 C ATOM 1259 CZ PHE A 49 14.865 31.465 31.518 1.00 37.18 C ATOM 1260 N LYS A 50 14.828 30.118 38.888 1.00 38.39 N ATOM 1261 CA LYS A 50 14.397 30.330 40.282 1.00 38.09 C ATOM 1262 C LYS A 50 15.449 31.136 41.033 1.00 38.39 C ATOM 1263 O LYS A 50 15.125 32.123 41.701 1.00 39.28 O ATOM 1264 CB LYS A 50 14.145 28.978 40.976 1.00 37.71 C ATOM 1265 CG LYS A 50 13.898 29.058 42.490 1.00 37.99 C ATOM 1266 CD LYS A 50 13.773 27.645 43.080 1.00 37.00 C ATOM 1267 CE LYS A 50 13.245 27.702 44.482 1.00 37.67 C ATOM 1268 NZ LYS A 50 14.248 28.312 45.363 1.00 35.96 N ATOM 1269 N ASN A 51 16.714 30.728 40.906 1.00 37.92 N ATOM 1270 CA ASN A 51 17.817 31.396 41.589 1.00 37.08 C ATOM 1271 C ASN A 51 18.083 32.794 41.041 1.00 37.72 C ATOM 1272 O ASN A 51 18.414 33.686 41.798 1.00 37.34 O ATOM 1273 CB ASN A 51 19.086 30.552 41.509 1.00 36.58 C ATOM 1274 CG ASN A 51 19.068 29.396 42.471 1.00 36.61 C ATOM 1275 OD1 ASN A 51 18.664 29.544 43.629 1.00 39.31 O ATOM 1276 ND2 ASN A 51 19.515 28.236 42.012 1.00 31.44 N ATOM 1277 N MET A 52 17.903 32.983 39.728 1.00 38.01 N ATOM 1278 CA MET A 52 18.049 34.311 39.120 1.00 38.51 C ATOM 1279 C MET A 52 17.015 35.329 39.659 1.00 38.08 C ATOM 1280 O MET A 52 17.368 36.463 39.997 1.00 38.03 O ATOM 1281 CB MET A 52 18.029 34.206 37.588 1.00 38.84 C ATOM 1282 CG MET A 52 18.472 35.474 36.816 1.00 41.19 C ATOM 1283 SD MET A 52 20.067 36.180 37.271 1.00 46.16 S ATOM 1284 CE MET A 52 21.231 35.082 36.543 1.00 46.22 C ATOM 1285 N ARG A 53 15.748 34.936 39.737 1.00 37.92 N ATOM 1286 CA ARG A 53 14.726 35.817 40.293 1.00 37.93 C ATOM 1287 C ARG A 53 15.001 36.124 41.788 1.00 38.24 C ATOM 1288 O ARG A 53 14.819 37.269 42.246 1.00 37.94 O ATOM 1289 CB ARG A 53 13.316 35.234 40.120 1.00 38.02 C ATOM 1290 CG ARG A 53 12.822 35.010 38.709 1.00 37.62 C ATOM 1291 CD ARG A 53 11.350 34.576 38.728 1.00 37.05 C ATOM 1292 NE ARG A 53 11.124 33.250 39.328 1.00 35.93 N ATOM 1293 CZ ARG A 53 11.132 32.084 38.663 1.00 39.08 C ATOM 1294 NH1 ARG A 53 11.305 32.047 37.343 1.00 37.70 N ATOM 1295 NH2 ARG A 53 10.914 30.948 39.310 1.00 36.95 N ATOM 1296 N ALA A 54 15.463 35.128 42.545 1.00 38.93 N ATOM 1297 CA ALA A 54 15.806 35.344 43.963 1.00 39.29 C ATOM 1298 C ALA A 54 16.960 36.339 44.102 1.00 40.15 C ATOM 1299 O ALA A 54 16.879 37.272 44.912 1.00 41.12 O ATOM 1300 CB ALA A 54 16.154 34.016 44.676 1.00 38.99 C ATOM 1301 N LYS A 55 18.018 36.139 43.307 1.00 40.78 N ATOM 1302 CA LYS A 55 19.239 36.946 43.364 1.00 41.59 C ATOM 1303 C LYS A 55 18.943 38.426 43.127 1.00 41.87 C ATOM 1304 O LYS A 55 19.462 39.301 43.826 1.00 41.73 O ATOM 1305 CB LYS A 55 20.246 36.466 42.317 1.00 41.47 C ATOM 1306 CG LYS A 55 21.557 37.267 42.293 1.00 43.23 C ATOM 1307 CD LYS A 55 22.424 36.838 41.119 1.00 45.50 C ATOM 1308 CE LYS A 55 23.132 38.016 40.457 1.00 49.01 C ATOM 1309 NZ LYS A 55 23.588 37.634 39.076 1.00 49.66 N ATOM 1310 N ILE A 56 18.089 38.680 42.150 1.00 41.59 N ATOM 1311 CA ILE A 56 17.653 40.024 41.804 1.00 42.12 C ATOM 1312 C ILE A 56 16.822 40.661 42.936 1.00 42.51 C ATOM 1313 O ILE A 56 17.098 41.789 43.366 1.00 42.48 O ATOM 1314 CB ILE A 56 16.904 39.988 40.441 1.00 41.89 C ATOM 1315 CG1 ILE A 56 17.913 39.824 39.305 1.00 40.28 C ATOM 1316 CG2 ILE A 56 16.095 41.264 40.204 1.00 43.17 C ATOM 1317 CD1 ILE A 56 17.323 39.301 38.058 1.00 36.21 C ATOM 1318 N LYS A 57 15.822 39.944 43.435 1.00 43.11 N ATOM 1319 CA LYS A 57 15.039 40.447 44.579 1.00 43.89 C ATOM 1320 C LYS A 57 15.914 40.779 45.776 1.00 44.22 C ATOM 1321 O LYS A 57 15.652 41.751 46.467 1.00 44.21 O ATOM 1322 CB LYS A 57 13.950 39.468 45.005 1.00 43.84 C ATOM 1323 CG LYS A 57 12.690 39.584 44.170 1.00 45.36 C ATOM 1324 CD LYS A 57 11.482 38.954 44.844 1.00 46.17 C ATOM 1325 CE LYS A 57 10.758 39.910 45.758 1.00 48.03 C ATOM 1326 NZ LYS A 57 9.534 39.255 46.334 1.00 47.08 N ATOM 1327 N LYS A 58 16.960 39.978 45.984 1.00 45.20 N ATOM 1328 CA LYS A 58 17.890 40.115 47.118 1.00 46.00 C ATOM 1329 C LYS A 58 18.780 41.345 46.975 1.00 46.82 C ATOM 1330 O LYS A 58 19.378 41.798 47.955 1.00 46.96 O ATOM 1331 CB LYS A 58 18.746 38.848 47.267 1.00 45.65 C ATOM 1332 CG LYS A 58 19.225 38.556 48.686 1.00 45.77 C ATOM 1333 N SER A 59 18.870 41.880 45.757 1.00 47.72 N ATOM 1334 CA SER A 59 19.490 43.187 45.526 1.00 48.71 C ATOM 1335 C SER A 59 18.491 44.325 45.813 1.00 49.27 C ATOM 1336 O SER A 59 18.832 45.319 46.456 1.00 49.49 O ATOM 1337 CB SER A 59 20.050 43.282 44.097 1.00 48.91 C ATOM 1338 OG SER A 59 19.027 43.492 43.135 1.00 48.69 O ATOM 1339 N THR A 60 17.253 44.149 45.349 1.00 49.97 N ATOM 1340 CA THR A 60 16.194 45.159 45.483 1.00 50.26 C ATOM 1341 C THR A 60 14.972 44.705 44.682 1.00 50.65 C ATOM 1342 O THR A 60 13.926 44.381 45.256 1.00 50.45 O ATOM 1343 OXT THR A 60 15.017 44.640 43.440 1.00 50.60 O TER 1344 THR A 60 ATOM 1345 N LYS B 2 4.529 6.636 49.435 1.00 46.52 N ATOM 1346 CA LYS B 2 3.420 7.561 49.806 1.00 46.50 C ATOM 1347 C LYS B 2 2.952 7.332 51.239 1.00 46.35 C ATOM 1348 O LYS B 2 2.860 6.197 51.714 1.00 46.44 O ATOM 1349 CB LYS B 2 2.242 7.445 48.831 1.00 46.31 C ATOM 1350 CG LYS B 2 2.509 8.062 47.454 1.00 46.68 C ATOM 1351 N ARG B 3 2.666 8.436 51.914 1.00 46.33 N ATOM 1352 CA ARG B 3 2.200 8.433 53.294 1.00 45.94 C ATOM 1353 C ARG B 3 0.778 7.862 53.383 1.00 46.20 C ATOM 1354 O ARG B 3 -0.092 8.244 52.592 1.00 46.52 O ATOM 1355 CB ARG B 3 2.246 9.858 53.818 1.00 45.70 C ATOM 1356 CG ARG B 3 1.813 10.025 55.252 1.00 44.73 C ATOM 1357 CD ARG B 3 2.096 11.441 55.728 1.00 46.17 C ATOM 1358 NE ARG B 3 3.501 11.821 55.547 1.00 44.15 N ATOM 1359 CZ ARG B 3 4.494 11.464 56.358 1.00 46.33 C ATOM 1360 NH1 ARG B 3 4.259 10.712 57.436 1.00 44.21 N ATOM 1361 NH2 ARG B 3 5.730 11.874 56.100 1.00 44.10 N ATOM 1362 N PRO B 4 0.545 6.923 54.322 1.00 46.34 N ATOM 1363 CA PRO B 4 -0.811 6.417 54.565 1.00 46.22 C ATOM 1364 C PRO B 4 -1.799 7.511 54.991 1.00 46.00 C ATOM 1365 O PRO B 4 -1.425 8.458 55.683 1.00 44.91 O ATOM 1366 CB PRO B 4 -0.613 5.421 55.712 1.00 45.87 C ATOM 1367 CG PRO B 4 0.808 5.012 55.607 1.00 46.28 C ATOM 1368 CD PRO B 4 1.529 6.247 55.190 1.00 46.45 C ATOM 1369 N ARG B 5 -3.050 7.379 54.563 1.00 45.95 N ATOM 1370 CA ARG B 5 -4.100 8.248 55.072 1.00 45.84 C ATOM 1371 C ARG B 5 -4.507 7.669 56.416 1.00 45.64 C ATOM 1372 O ARG B 5 -4.575 6.457 56.584 1.00 45.29 O ATOM 1373 CB ARG B 5 -5.305 8.261 54.135 1.00 46.38 C ATOM 1374 CG ARG B 5 -5.001 8.596 52.693 1.00 46.38 C ATOM 1375 CD ARG B 5 -6.294 8.623 51.915 1.00 45.97 C ATOM 1376 NE ARG B 5 -6.090 8.717 50.477 1.00 46.37 N ATOM 1377 CZ ARG B 5 -7.082 8.786 49.597 1.00 46.12 C ATOM 1378 NH1 ARG B 5 -8.342 8.779 50.016 1.00 45.69 N ATOM 1379 NH2 ARG B 5 -6.818 8.867 48.302 1.00 46.55 N ATOM 1380 N THR B 6 -4.764 8.535 57.378 1.00 45.22 N ATOM 1381 CA THR B 6 -5.207 8.099 58.684 1.00 45.24 C ATOM 1382 C THR B 6 -6.605 8.648 58.924 1.00 44.75 C ATOM 1383 O THR B 6 -7.103 9.428 58.128 1.00 46.46 O ATOM 1384 CB THR B 6 -4.230 8.571 59.777 1.00 45.11 C ATOM 1385 OG1 THR B 6 -4.504 7.849 60.962 1.00 45.95 O ATOM 1386 CG2 THR B 6 -4.380 10.055 60.060 1.00 44.61 C ATOM 1387 N ALA B 7 -7.253 8.232 59.995 1.00 43.26 N ATOM 1388 CA ALA B 7 -8.477 8.883 60.407 1.00 41.77 C ATOM 1389 C ALA B 7 -8.187 9.490 61.778 1.00 41.02 C ATOM 1390 O ALA B 7 -7.516 8.868 62.601 1.00 40.91 O ATOM 1391 CB ALA B 7 -9.639 7.884 60.462 1.00 41.67 C ATOM 1392 N PHE B 8 -8.662 10.709 62.002 1.00 39.81 N ATOM 1393 CA PHE B 8 -8.502 11.379 63.285 1.00 40.22 C ATOM 1394 C PHE B 8 -9.649 11.013 64.215 1.00 39.51 C ATOM 1395 O PHE B 8 -10.791 10.858 63.787 1.00 39.37 O ATOM 1396 CB PHE B 8 -8.387 12.911 63.110 1.00 40.10 C ATOM 1397 CG PHE B 8 -7.299 13.331 62.145 1.00 41.91 C ATOM 1398 CD1 PHE B 8 -5.955 13.148 62.466 1.00 44.85 C ATOM 1399 CD2 PHE B 8 -7.612 13.892 60.910 1.00 43.14 C ATOM 1400 CE1 PHE B 8 -4.943 13.528 61.585 1.00 45.87 C ATOM 1401 CE2 PHE B 8 -6.608 14.261 60.017 1.00 43.58 C ATOM 1402 CZ PHE B 8 -5.270 14.084 60.357 1.00 44.45 C ATOM 1403 N SER B 9 -9.334 10.844 65.491 1.00 39.35 N ATOM 1404 CA SER B 9 -10.353 10.541 66.488 1.00 39.71 C ATOM 1405 C SER B 9 -11.129 11.824 66.747 1.00 40.13 C ATOM 1406 O SER B 9 -10.711 12.908 66.302 1.00 40.17 O ATOM 1407 CB SER B 9 -9.718 10.020 67.783 1.00 39.75 C ATOM 1408 OG SER B 9 -8.921 11.020 68.404 1.00 38.77 O ATOM 1409 N SER B 10 -12.258 11.714 67.436 1.00 40.66 N ATOM 1410 CA SER B 10 -13.008 12.918 67.764 1.00 41.23 C ATOM 1411 C SER B 10 -12.214 13.834 68.705 1.00 40.50 C ATOM 1412 O SER B 10 -12.299 15.039 68.577 1.00 40.16 O ATOM 1413 CB SER B 10 -14.417 12.604 68.278 1.00 41.25 C ATOM 1414 OG SER B 10 -14.389 11.753 69.398 1.00 43.36 O ATOM 1415 N GLU B 11 -11.433 13.263 69.625 1.00 40.42 N ATOM 1416 CA GLU B 11 -10.589 14.079 70.503 1.00 39.90 C ATOM 1417 C GLU B 11 -9.495 14.835 69.735 1.00 39.00 C ATOM 1418 O GLU B 11 -9.199 16.015 70.027 1.00 37.42 O ATOM 1419 CB GLU B 11 -9.972 13.234 71.615 1.00 40.68 C ATOM 1420 CG GLU B 11 -9.169 14.085 72.596 1.00 43.76 C ATOM 1421 CD GLU B 11 -8.711 13.333 73.822 1.00 48.91 C ATOM 1422 OE1 GLU B 11 -9.114 12.165 73.998 1.00 50.78 O ATOM 1423 OE2 GLU B 11 -7.948 13.926 74.623 1.00 50.77 O ATOM 1424 N GLN B 12 -8.895 14.162 68.751 1.00 37.70 N ATOM 1425 CA GLN B 12 -7.887 14.791 67.905 1.00 37.11 C ATOM 1426 C GLN B 12 -8.500 15.936 67.107 1.00 38.01 C ATOM 1427 O GLN B 12 -7.951 17.037 67.101 1.00 37.87 O ATOM 1428 CB GLN B 12 -7.229 13.756 66.986 1.00 36.89 C ATOM 1429 CG GLN B 12 -6.289 12.815 67.745 1.00 36.52 C ATOM 1430 CD GLN B 12 -5.784 11.649 66.918 1.00 35.85 C ATOM 1431 OE1 GLN B 12 -4.683 11.166 67.133 1.00 34.76 O ATOM 1432 NE2 GLN B 12 -6.586 11.195 65.974 1.00 31.74 N ATOM 1433 N LEU B 13 -9.653 15.689 66.479 1.00 38.57 N ATOM 1434 CA LEU B 13 -10.363 16.726 65.711 1.00 39.65 C ATOM 1435 C LEU B 13 -10.831 17.894 66.559 1.00 39.85 C ATOM 1436 O LEU B 13 -10.816 19.023 66.077 1.00 40.24 O ATOM 1437 CB LEU B 13 -11.570 16.152 64.960 1.00 39.76 C ATOM 1438 CG LEU B 13 -11.268 15.187 63.805 1.00 42.38 C ATOM 1439 CD1 LEU B 13 -12.537 14.472 63.345 1.00 45.39 C ATOM 1440 CD2 LEU B 13 -10.573 15.912 62.647 1.00 44.78 C ATOM 1441 N ALA B 14 -11.259 17.645 67.799 1.00 40.38 N ATOM 1442 CA ALA B 14 -11.668 18.753 68.663 1.00 40.89 C ATOM 1443 C ALA B 14 -10.472 19.646 69.015 1.00 41.44 C ATOM 1444 O ALA B 14 -10.587 20.870 69.008 1.00 41.29 O ATOM 1445 CB ALA B 14 -12.377 18.250 69.925 1.00 40.64 C ATOM 1446 N ARG B 15 -9.330 19.031 69.321 1.00 41.68 N ATOM 1447 CA ARG B 15 -8.104 19.774 69.618 1.00 41.90 C ATOM 1448 C ARG B 15 -7.547 20.522 68.404 1.00 41.89 C ATOM 1449 O ARG B 15 -7.183 21.698 68.500 1.00 41.94 O ATOM 1450 CB ARG B 15 -7.043 18.848 70.207 1.00 41.76 C ATOM 1451 CG ARG B 15 -5.746 19.553 70.543 1.00 44.09 C ATOM 1452 CD ARG B 15 -5.917 20.647 71.619 1.00 50.22 C ATOM 1453 NE ARG B 15 -4.667 21.376 71.807 1.00 52.74 N ATOM 1454 CZ ARG B 15 -3.623 20.916 72.494 1.00 54.91 C ATOM 1455 NH1 ARG B 15 -3.664 19.726 73.093 1.00 53.98 N ATOM 1456 NH2 ARG B 15 -2.531 21.661 72.589 1.00 57.31 N ATOM 1457 N LEU B 16 -7.501 19.856 67.257 1.00 41.74 N ATOM 1458 CA LEU B 16 -7.110 20.515 66.018 1.00 41.31 C ATOM 1459 C LEU B 16 -7.931 21.759 65.748 1.00 41.57 C ATOM 1460 O LEU B 16 -7.355 22.824 65.497 1.00 41.86 O ATOM 1461 CB LEU B 16 -7.184 19.549 64.822 1.00 41.07 C ATOM 1462 CG LEU B 16 -6.060 18.520 64.859 1.00 40.09 C ATOM 1463 CD1 LEU B 16 -6.424 17.354 63.996 1.00 39.30 C ATOM 1464 CD2 LEU B 16 -4.696 19.102 64.475 1.00 41.85 C ATOM 1465 N LYS B 17 -9.261 21.615 65.784 1.00 41.85 N ATOM 1466 CA LYS B 17 -10.193 22.720 65.512 1.00 42.07 C ATOM 1467 C LYS B 17 -10.082 23.885 66.490 1.00 41.98 C ATOM 1468 O LYS B 17 -10.193 25.039 66.097 1.00 41.51 O ATOM 1469 CB LYS B 17 -11.632 22.212 65.494 1.00 42.33 C ATOM 1470 CG LYS B 17 -12.007 21.412 64.262 1.00 43.41 C ATOM 1471 CD LYS B 17 -13.468 20.979 64.350 1.00 47.73 C ATOM 1472 CE LYS B 17 -13.821 19.901 63.328 1.00 50.23 C ATOM 1473 NZ LYS B 17 -15.121 19.234 63.671 1.00 51.84 N ATOM 1474 N ARG B 18 -9.881 23.576 67.763 1.00 42.27 N ATOM 1475 CA ARG B 18 -9.660 24.580 68.804 1.00 42.69 C ATOM 1476 C ARG B 18 -8.424 25.414 68.459 1.00 42.70 C ATOM 1477 O ARG B 18 -8.378 26.626 68.647 1.00 41.77 O ATOM 1478 CB ARG B 18 -9.473 23.827 70.125 1.00 43.42 C ATOM 1479 CG ARG B 18 -8.910 24.571 71.314 1.00 45.70 C ATOM 1480 CD ARG B 18 -8.945 23.602 72.510 1.00 51.40 C ATOM 1481 NE ARG B 18 -8.635 24.236 73.793 1.00 55.49 N ATOM 1482 CZ ARG B 18 -7.465 24.135 74.425 1.00 57.17 C ATOM 1483 NH1 ARG B 18 -6.465 23.423 73.902 1.00 56.33 N ATOM 1484 NH2 ARG B 18 -7.299 24.750 75.590 1.00 57.79 N ATOM 1485 N GLU B 19 -7.426 24.727 67.932 1.00 42.55 N ATOM 1486 CA GLU B 19 -6.169 25.319 67.548 1.00 43.19 C ATOM 1487 C GLU B 19 -6.340 26.196 66.300 1.00 41.54 C ATOM 1488 O GLU B 19 -5.931 27.359 66.304 1.00 41.54 O ATOM 1489 CB GLU B 19 -5.179 24.189 67.301 1.00 44.03 C ATOM 1490 CG GLU B 19 -3.746 24.514 67.633 1.00 48.13 C ATOM 1491 CD GLU B 19 -3.513 24.986 69.044 1.00 49.49 C ATOM 1492 OE1 GLU B 19 -3.736 24.222 70.008 1.00 51.84 O ATOM 1493 OE2 GLU B 19 -3.064 26.135 69.177 1.00 50.44 O ATOM 1494 N PHE B 20 -6.993 25.655 65.277 1.00 40.40 N ATOM 1495 CA PHE B 20 -7.295 26.366 64.020 1.00 40.22 C ATOM 1496 C PHE B 20 -8.115 27.632 64.254 1.00 39.26 C ATOM 1497 O PHE B 20 -8.024 28.587 63.480 1.00 39.77 O ATOM 1498 CB PHE B 20 -8.056 25.425 63.089 1.00 39.99 C ATOM 1499 CG PHE B 20 -8.191 25.915 61.682 1.00 40.72 C ATOM 1500 CD1 PHE B 20 -7.160 25.731 60.771 1.00 39.89 C ATOM 1501 CD2 PHE B 20 -9.366 26.524 61.258 1.00 41.42 C ATOM 1502 CE1 PHE B 20 -7.277 26.162 59.456 1.00 37.52 C ATOM 1503 CE2 PHE B 20 -9.513 26.970 59.927 1.00 41.60 C ATOM 1504 CZ PHE B 20 -8.470 26.791 59.025 1.00 39.51 C ATOM 1505 N ASN B 21 -8.929 27.619 65.309 1.00 39.23 N ATOM 1506 CA AASN B 21 -9.754 28.765 65.711 0.50 38.21 C ATOM 1507 CA BASN B 21 -9.740 28.786 65.641 0.50 38.70 C ATOM 1508 C ASN B 21 -8.938 29.947 66.223 1.00 37.98 C ATOM 1509 O ASN B 21 -9.375 31.096 66.155 1.00 38.23 O ATOM 1510 CB AASN B 21 -10.774 28.337 66.775 0.50 38.17 C ATOM 1511 CB BASN B 21 -10.935 28.402 66.524 0.50 39.08 C ATOM 1512 CG AASN B 21 -11.860 29.382 67.012 0.50 37.43 C ATOM 1513 CG BASN B 21 -12.079 27.773 65.724 0.50 40.38 C ATOM 1514 OD1AASN B 21 -12.585 29.756 66.095 0.50 37.33 O ATOM 1515 OD1BASN B 21 -12.184 27.959 64.506 0.50 42.66 O ATOM 1516 ND2AASN B 21 -11.976 29.851 68.251 0.50 37.16 N ATOM 1517 ND2BASN B 21 -12.939 27.020 66.409 0.50 41.67 N ATOM 1518 N GLU B 22 -7.770 29.658 66.784 1.00 37.19 N ATOM 1519 CA GLU B 22 -6.864 30.707 67.248 1.00 36.60 C ATOM 1520 C GLU B 22 -5.947 31.218 66.123 1.00 36.45 C ATOM 1521 O GLU B 22 -5.717 32.428 65.969 1.00 34.66 O ATOM 1522 CB GLU B 22 -6.035 30.207 68.431 1.00 36.68 C ATOM 1523 CG GLU B 22 -6.850 29.904 69.719 1.00 37.68 C ATOM 1524 CD GLU B 22 -7.911 30.941 70.063 1.00 37.56 C ATOM 1525 OE1 GLU B 22 -7.625 32.174 70.038 1.00 38.24 O ATOM 1526 OE2 GLU B 22 -9.046 30.514 70.409 1.00 36.64 O ATOM 1527 N ASN B 23 -5.436 30.289 65.325 1.00 35.93 N ATOM 1528 CA ASN B 23 -4.472 30.625 64.285 1.00 36.44 C ATOM 1529 C ASN B 23 -4.566 29.548 63.207 1.00 37.92 C ATOM 1530 O ASN B 23 -4.380 28.385 63.493 1.00 37.59 O ATOM 1531 CB ASN B 23 -3.050 30.701 64.898 1.00 36.04 C ATOM 1532 CG ASN B 23 -2.018 31.306 63.948 1.00 35.05 C ATOM 1533 OD1 ASN B 23 -2.256 31.440 62.780 1.00 35.01 O ATOM 1534 ND2 ASN B 23 -0.870 31.667 64.467 1.00 34.06 N ATOM 1535 N ARG B 24 -4.875 29.947 61.976 1.00 37.89 N ATOM 1536 CA ARG B 24 -4.937 29.009 60.858 1.00 38.01 C ATOM 1537 C ARG B 24 -3.584 28.544 60.307 1.00 37.41 C ATOM 1538 O ARG B 24 -3.533 27.637 59.510 1.00 37.09 O ATOM 1539 CB ARG B 24 -5.811 29.598 59.749 1.00 39.03 C ATOM 1540 CG ARG B 24 -7.268 29.806 60.174 1.00 38.24 C ATOM 1541 CD ARG B 24 -8.018 30.516 59.066 1.00 44.38 C ATOM 1542 NE ARG B 24 -9.415 30.729 59.417 1.00 47.88 N ATOM 1543 CZ ARG B 24 -10.363 31.095 58.558 1.00 50.33 C ATOM 1544 NH1 ARG B 24 -10.074 31.272 57.271 1.00 51.39 N ATOM 1545 NH2 ARG B 24 -11.611 31.265 58.983 1.00 49.75 N ATOM 1546 N TYR B 25 -2.487 29.104 60.813 1.00 38.45 N ATOM 1547 CA TYR B 25 -1.134 28.740 60.406 1.00 38.84 C ATOM 1548 C TYR B 25 -0.314 28.235 61.585 1.00 40.32 C ATOM 1549 O TYR B 25 -0.459 28.726 62.690 1.00 40.22 O ATOM 1550 CB TYR B 25 -0.429 29.952 59.762 1.00 38.74 C ATOM 1551 CG TYR B 25 -1.127 30.370 58.500 1.00 38.88 C ATOM 1552 CD1 TYR B 25 -0.813 29.753 57.273 1.00 38.93 C ATOM 1553 CD2 TYR B 25 -2.117 31.348 58.515 1.00 40.58 C ATOM 1554 CE1 TYR B 25 -1.465 30.112 56.092 1.00 37.11 C ATOM 1555 CE2 TYR B 25 -2.776 31.728 57.337 1.00 40.12 C ATOM 1556 CZ TYR B 25 -2.439 31.092 56.127 1.00 40.38 C ATOM 1557 OH TYR B 25 -3.082 31.429 54.959 1.00 39.67 O ATOM 1558 N LEU B 26 0.525 27.241 61.312 1.00 40.73 N ATOM 1559 CA LEU B 26 1.342 26.562 62.285 1.00 42.28 C ATOM 1560 C LEU B 26 2.770 27.006 62.173 1.00 42.79 C ATOM 1561 O LEU B 26 3.350 26.996 61.070 1.00 46.30 O ATOM 1562 CB LEU B 26 1.350 25.069 61.980 1.00 42.74 C ATOM 1563 CG LEU B 26 0.152 24.240 62.314 1.00 43.36 C ATOM 1564 CD1 LEU B 26 0.353 22.846 61.696 1.00 45.91 C ATOM 1565 CD2 LEU B 26 0.077 24.186 63.870 1.00 42.61 C ATOM 1566 N THR B 27 3.347 27.395 63.287 1.00 42.15 N ATOM 1567 CA THR B 27 4.787 27.513 63.383 1.00 40.27 C ATOM 1568 C THR B 27 5.332 26.098 63.657 1.00 40.34 C ATOM 1569 O THR B 27 4.577 25.184 64.013 1.00 39.84 O ATOM 1570 CB THR B 27 5.195 28.470 64.495 1.00 41.04 C ATOM 1571 OG1 THR B 27 4.757 27.953 65.757 1.00 37.17 O ATOM 1572 CG2 THR B 27 4.599 29.866 64.265 1.00 40.62 C ATOM 1573 N GLU B 28 6.637 25.922 63.493 1.00 40.52 N ATOM 1574 CA GLU B 28 7.296 24.656 63.781 1.00 40.88 C ATOM 1575 C GLU B 28 7.092 24.147 65.228 1.00 40.50 C ATOM 1576 O GLU B 28 6.716 22.993 65.433 1.00 39.65 O ATOM 1577 CB GLU B 28 8.787 24.779 63.456 1.00 41.38 C ATOM 1578 CG GLU B 28 9.583 23.513 63.735 1.00 43.16 C ATOM 1579 CD GLU B 28 11.059 23.682 63.460 1.00 45.30 C ATOM 1580 OE1 GLU B 28 11.633 24.701 63.900 1.00 46.44 O ATOM 1581 OE2 GLU B 28 11.649 22.780 62.822 1.00 47.82 O ATOM 1582 N ARG B 29 7.341 24.996 66.224 1.00 40.48 N ATOM 1583 CA ARG B 29 7.229 24.573 67.618 1.00 40.66 C ATOM 1584 C ARG B 29 5.820 24.115 67.946 1.00 41.10 C ATOM 1585 O ARG B 29 5.633 23.100 68.626 1.00 41.36 O ATOM 1586 CB ARG B 29 7.662 25.686 68.587 1.00 40.81 C ATOM 1587 CG ARG B 29 7.377 25.363 70.070 1.00 41.54 C ATOM 1588 CD ARG B 29 8.119 26.300 71.028 1.00 41.54 C ATOM 1589 NE ARG B 29 8.260 27.626 70.432 1.00 44.56 N ATOM 1590 CZ ARG B 29 9.051 28.593 70.875 1.00 44.73 C ATOM 1591 NH1 ARG B 29 9.787 28.419 71.960 1.00 44.71 N ATOM 1592 NH2 ARG B 29 9.094 29.750 70.228 1.00 45.32 N ATOM 1593 N ARG B 30 4.840 24.859 67.438 1.00 41.26 N ATOM 1594 CA ARG B 30 3.432 24.603 67.694 1.00 41.96 C ATOM 1595 C ARG B 30 2.994 23.287 67.028 1.00 40.99 C ATOM 1596 O ARG B 30 2.301 22.484 67.639 1.00 40.55 O ATOM 1597 CB ARG B 30 2.614 25.777 67.188 1.00 41.49 C ATOM 1598 CG ARG B 30 1.106 25.637 67.330 1.00 43.97 C ATOM 1599 CD ARG B 30 0.418 27.007 67.022 1.00 45.23 C ATOM 1600 NE ARG B 30 -1.034 26.980 67.222 1.00 48.38 N ATOM 1601 CZ ARG B 30 -1.942 27.170 66.259 1.00 50.13 C ATOM 1602 NH1 ARG B 30 -3.228 27.106 66.560 1.00 51.65 N ATOM 1603 NH2 ARG B 30 -1.588 27.460 65.016 1.00 44.86 N ATOM 1604 N ARG B 31 3.410 23.086 65.779 1.00 39.30 N ATOM 1605 CA ARG B 31 3.244 21.795 65.128 1.00 39.82 C ATOM 1606 C ARG B 31 3.839 20.616 65.938 1.00 39.47 C ATOM 1607 O ARG B 31 3.160 19.604 66.103 1.00 39.76 O ATOM 1608 CB ARG B 31 3.772 21.841 63.686 1.00 40.15 C ATOM 1609 CG ARG B 31 3.506 20.567 62.878 1.00 41.16 C ATOM 1610 CD ARG B 31 4.122 20.669 61.510 1.00 44.07 C ATOM 1611 NE ARG B 31 5.578 20.561 61.558 1.00 44.73 N ATOM 1612 CZ ARG B 31 6.419 21.462 61.061 1.00 49.15 C ATOM 1613 NH1 ARG B 31 5.962 22.555 60.458 1.00 51.20 N ATOM 1614 NH2 ARG B 31 7.724 21.266 61.153 1.00 48.73 N ATOM 1615 N GLN B 32 5.068 20.747 66.460 1.00 38.99 N ATOM 1616 CA GLN B 32 5.707 19.673 67.207 1.00 39.59 C ATOM 1617 C GLN B 32 4.912 19.349 68.463 1.00 39.18 C ATOM 1618 O GLN B 32 4.616 18.182 68.739 1.00 38.08 O ATOM 1619 CB GLN B 32 7.145 20.050 67.614 1.00 39.84 C ATOM 1620 CG GLN B 32 8.088 20.313 66.438 1.00 41.32 C ATOM 1621 CD GLN B 32 9.392 21.002 66.837 1.00 41.29 C ATOM 1622 OE1 GLN B 32 10.302 21.139 66.009 1.00 42.46 O ATOM 1623 NE2 GLN B 32 9.494 21.439 68.104 1.00 44.11 N ATOM 1624 N GLN B 33 4.614 20.399 69.232 1.00 38.38 N ATOM 1625 CA GLN B 33 3.837 20.305 70.473 1.00 38.67 C ATOM 1626 C GLN B 33 2.499 19.641 70.254 1.00 39.36 C ATOM 1627 O GLN B 33 2.080 18.774 70.994 1.00 38.80 O ATOM 1628 CB GLN B 33 3.590 21.710 71.012 1.00 38.32 C ATOM 1629 CG GLN B 33 4.649 22.128 72.038 1.00 38.12 C ATOM 1630 CD GLN B 33 4.554 23.600 72.439 1.00 39.20 C ATOM 1631 OE1 GLN B 33 4.001 24.432 71.716 1.00 40.70 O ATOM 1632 NE2 GLN B 33 5.116 23.924 73.600 1.00 40.30 N ATOM 1633 N LEU B 34 1.828 20.069 69.210 1.00 39.75 N ATOM 1634 CA LEU B 34 0.492 19.605 68.948 1.00 42.56 C ATOM 1635 C LEU B 34 0.494 18.165 68.434 1.00 43.66 C ATOM 1636 O LEU B 34 -0.352 17.344 68.837 1.00 44.81 O ATOM 1637 CB LEU B 34 -0.178 20.579 67.990 1.00 42.37 C ATOM 1638 CG LEU B 34 -1.618 20.428 67.541 1.00 44.01 C ATOM 1639 CD1 LEU B 34 -2.578 20.355 68.685 1.00 45.31 C ATOM 1640 CD2 LEU B 34 -1.869 21.657 66.709 1.00 42.55 C ATOM 1641 N SER B 35 1.489 17.832 67.616 1.00 44.25 N ATOM 1642 CA SER B 35 1.633 16.474 67.113 1.00 44.84 C ATOM 1643 C SER B 35 1.980 15.520 68.257 1.00 44.31 C ATOM 1644 O SER B 35 1.436 14.415 68.342 1.00 44.81 O ATOM 1645 CB SER B 35 2.680 16.424 65.992 1.00 45.18 C ATOM 1646 OG SER B 35 2.341 17.319 64.936 1.00 47.84 O ATOM 1647 N SER B 36 2.859 15.958 69.157 1.00 43.80 N ATOM 1648 CA SER B 36 3.271 15.163 70.299 1.00 43.16 C ATOM 1649 C SER B 36 2.107 14.925 71.266 1.00 42.74 C ATOM 1650 O SER B 36 1.975 13.834 71.829 1.00 42.95 O ATOM 1651 CB SER B 36 4.434 15.849 71.030 1.00 42.29 C ATOM 1652 OG SER B 36 4.751 15.181 72.236 1.00 45.33 O ATOM 1653 N GLU B 37 1.288 15.953 71.459 1.00 41.45 N ATOM 1654 CA GLU B 37 0.164 15.911 72.387 1.00 40.95 C ATOM 1655 C GLU B 37 -0.983 15.049 71.882 1.00 39.80 C ATOM 1656 O GLU B 37 -1.641 14.379 72.667 1.00 39.32 O ATOM 1657 CB GLU B 37 -0.324 17.335 72.683 1.00 41.05 C ATOM 1658 CG GLU B 37 0.395 17.954 73.896 1.00 43.32 C ATOM 1659 CD GLU B 37 0.411 19.482 73.882 1.00 46.98 C ATOM 1660 OE1 GLU B 37 -0.249 20.104 73.011 1.00 48.18 O ATOM 1661 OE2 GLU B 37 1.102 20.068 74.746 1.00 48.15 O ATOM 1662 N LEU B 38 -1.224 15.094 70.572 1.00 38.47 N ATOM 1663 CA LEU B 38 -2.258 14.294 69.935 1.00 38.32 C ATOM 1664 C LEU B 38 -1.839 12.883 69.471 1.00 37.84 C ATOM 1665 O LEU B 38 -2.695 12.099 69.084 1.00 38.81 O ATOM 1666 CB LEU B 38 -2.877 15.070 68.760 1.00 37.11 C ATOM 1667 CG LEU B 38 -3.636 16.341 69.147 1.00 37.05 C ATOM 1668 CD1 LEU B 38 -4.241 16.983 67.889 1.00 37.46 C ATOM 1669 CD2 LEU B 38 -4.730 16.019 70.160 1.00 38.97 C ATOM 1670 N GLY B 39 -0.548 12.553 69.526 1.00 37.82 N ATOM 1671 CA GLY B 39 -0.049 11.285 68.981 1.00 36.86 C ATOM 1672 C GLY B 39 -0.214 11.176 67.477 1.00 37.39 C ATOM 1673 O GLY B 39 -0.607 10.133 66.942 1.00 37.04 O ATOM 1674 N LEU B 40 0.064 12.274 66.783 1.00 36.85 N ATOM 1675 CA LEU B 40 -0.078 12.343 65.348 1.00 37.79 C ATOM 1676 C LEU B 40 1.256 12.666 64.705 1.00 37.87 C ATOM 1677 O LEU B 40 2.023 13.440 65.268 1.00 38.51 O ATOM 1678 CB LEU B 40 -1.059 13.453 64.963 1.00 37.69 C ATOM 1679 CG LEU B 40 -2.536 13.181 65.228 1.00 39.43 C ATOM 1680 CD1 LEU B 40 -3.322 14.429 64.889 1.00 37.09 C ATOM 1681 CD2 LEU B 40 -2.986 11.982 64.381 1.00 38.81 C ATOM 1682 N ASN B 41 1.516 12.084 63.532 1.00 37.67 N ATOM 1683 CA ASN B 41 2.651 12.469 62.714 1.00 37.98 C ATOM 1684 C ASN B 41 2.519 13.956 62.382 1.00 37.87 C ATOM 1685 O ASN B 41 1.431 14.428 62.097 1.00 38.78 O ATOM 1686 CB ASN B 41 2.690 11.627 61.438 1.00 37.68 C ATOM 1687 CG ASN B 41 4.037 11.659 60.763 1.00 39.16 C ATOM 1688 OD1 ASN B 41 4.443 12.679 60.195 1.00 39.10 O ATOM 1689 ND2 ASN B 41 4.748 10.540 60.809 1.00 36.25 N ATOM 1690 N GLU B 42 3.624 14.685 62.418 1.00 37.99 N ATOM 1691 CA GLU B 42 3.617 16.118 62.097 1.00 38.17 C ATOM 1692 C GLU B 42 3.113 16.411 60.710 1.00 38.24 C ATOM 1693 O GLU B 42 2.503 17.433 60.500 1.00 39.28 O ATOM 1694 CB GLU B 42 5.017 16.671 62.235 1.00 39.09 C ATOM 1695 CG GLU B 42 5.407 16.911 63.675 1.00 38.83 C ATOM 1696 CD GLU B 42 6.740 17.611 63.762 1.00 42.94 C ATOM 1697 OE1 GLU B 42 6.974 18.539 62.969 1.00 43.71 O ATOM 1698 OE2 GLU B 42 7.559 17.227 64.604 1.00 41.57 O ATOM 1699 N ALA B 43 3.377 15.495 59.783 1.00 38.18 N ATOM 1700 CA ALA B 43 2.911 15.598 58.410 1.00 38.90 C ATOM 1701 C ALA B 43 1.384 15.524 58.282 1.00 39.41 C ATOM 1702 O ALA B 43 0.789 16.172 57.384 1.00 40.33 O ATOM 1703 CB ALA B 43 3.580 14.553 57.551 1.00 38.67 C ATOM 1704 N GLN B 44 0.761 14.730 59.149 1.00 39.08 N ATOM 1705 CA GLN B 44 -0.710 14.655 59.265 1.00 38.88 C ATOM 1706 C GLN B 44 -1.346 15.961 59.790 1.00 38.70 C ATOM 1707 O GLN B 44 -2.373 16.422 59.267 1.00 39.06 O ATOM 1708 CB GLN B 44 -1.132 13.443 60.118 1.00 38.32 C ATOM 1709 CG GLN B 44 -0.739 12.049 59.521 1.00 38.90 C ATOM 1710 CD GLN B 44 -1.549 11.665 58.287 1.00 40.94 C ATOM 1711 OE1 GLN B 44 -2.591 12.263 58.013 1.00 40.41 O ATOM 1712 NE2 GLN B 44 -1.089 10.633 57.550 1.00 37.70 N ATOM 1713 N VAL B 45 -0.722 16.540 60.801 1.00 38.21 N ATOM 1714 CA VAL B 45 -1.115 17.815 61.404 1.00 39.33 C ATOM 1715 C VAL B 45 -0.931 18.967 60.408 1.00 40.76 C ATOM 1716 O VAL B 45 -1.857 19.751 60.167 1.00 41.45 O ATOM 1717 CB VAL B 45 -0.299 18.055 62.707 1.00 38.65 C ATOM 1718 CG1 VAL B 45 -0.573 19.452 63.312 1.00 38.90 C ATOM 1719 CG2 VAL B 45 -0.652 16.956 63.729 1.00 39.34 C ATOM 1720 N LYS B 46 0.250 19.024 59.800 1.00 40.94 N ATOM 1721 CA LYS B 46 0.556 20.026 58.769 1.00 42.41 C ATOM 1722 C LYS B 46 -0.511 19.923 57.687 1.00 41.43 C ATOM 1723 O LYS B 46 -1.052 20.932 57.193 1.00 41.17 O ATOM 1724 CB LYS B 46 1.927 19.687 58.163 1.00 41.94 C ATOM 1725 CG LYS B 46 2.440 20.647 57.163 1.00 46.63 C ATOM 1726 CD LYS B 46 3.938 20.500 57.020 1.00 49.91 C ATOM 1727 CE LYS B 46 4.340 19.211 56.330 1.00 51.92 C ATOM 1728 NZ LYS B 46 5.827 19.106 56.367 1.00 53.84 N ATOM 1729 N GLY B 47 -0.793 18.690 57.317 1.00 39.50 N ATOM 1730 CA GLY B 47 -1.733 18.396 56.247 1.00 40.00 C ATOM 1731 C GLY B 47 -3.165 18.786 56.531 1.00 39.21 C ATOM 1732 O GLY B 47 -3.855 19.261 55.642 1.00 40.37 O ATOM 1733 N TRP B 48 -3.625 18.522 57.750 1.00 39.78 N ATOM 1734 CA TRP B 48 -4.954 18.888 58.193 1.00 39.03 C ATOM 1735 C TRP B 48 -5.152 20.403 58.136 1.00 38.44 C ATOM 1736 O TRP B 48 -6.176 20.857 57.673 1.00 39.37 O ATOM 1737 CB TRP B 48 -5.190 18.390 59.631 1.00 39.02 C ATOM 1738 CG TRP B 48 -6.589 18.602 60.099 1.00 39.49 C ATOM 1739 CD1 TRP B 48 -7.659 17.746 59.962 1.00 40.08 C ATOM 1740 CD2 TRP B 48 -7.092 19.764 60.775 1.00 40.60 C ATOM 1741 NE1 TRP B 48 -8.789 18.309 60.531 1.00 40.18 N ATOM 1742 CE2 TRP B 48 -8.466 19.544 61.028 1.00 40.87 C ATOM 1743 CE3 TRP B 48 -6.513 20.971 61.194 1.00 42.23 C ATOM 1744 CZ2 TRP B 48 -9.261 20.482 61.689 1.00 40.22 C ATOM 1745 CZ3 TRP B 48 -7.314 21.904 61.829 1.00 41.69 C ATOM 1746 CH2 TRP B 48 -8.673 21.642 62.077 1.00 38.31 C ATOM 1747 N PHE B 49 -4.185 21.164 58.648 1.00 37.43 N ATOM 1748 CA PHE B 49 -4.243 22.646 58.600 1.00 36.76 C ATOM 1749 C PHE B 49 -4.277 23.153 57.151 1.00 36.61 C ATOM 1750 O PHE B 49 -5.015 24.120 56.842 1.00 36.54 O ATOM 1751 CB PHE B 49 -3.057 23.266 59.337 1.00 37.12 C ATOM 1752 CG PHE B 49 -3.293 23.492 60.818 1.00 36.70 C ATOM 1753 CD1 PHE B 49 -3.561 24.766 61.297 1.00 38.89 C ATOM 1754 CD2 PHE B 49 -3.215 22.453 61.724 1.00 39.52 C ATOM 1755 CE1 PHE B 49 -3.775 25.000 62.644 1.00 36.25 C ATOM 1756 CE2 PHE B 49 -3.420 22.671 63.112 1.00 37.80 C ATOM 1757 CZ PHE B 49 -3.708 23.945 63.562 1.00 35.59 C ATOM 1758 N LYS B 50 -3.485 22.519 56.281 1.00 35.83 N ATOM 1759 CA LYS B 50 -3.429 22.895 54.858 1.00 36.79 C ATOM 1760 C LYS B 50 -4.790 22.679 54.250 1.00 36.38 C ATOM 1761 O LYS B 50 -5.330 23.563 53.572 1.00 37.72 O ATOM 1762 CB LYS B 50 -2.386 22.064 54.094 1.00 36.46 C ATOM 1763 CG LYS B 50 -2.276 22.408 52.628 1.00 36.67 C ATOM 1764 CD LYS B 50 -1.288 21.533 51.834 1.00 36.06 C ATOM 1765 CE LYS B 50 -1.251 21.958 50.378 1.00 36.69 C ATOM 1766 NZ LYS B 50 -2.126 21.065 49.566 1.00 37.04 N ATOM 1767 N ASN B 51 -5.351 21.491 54.461 1.00 36.18 N ATOM 1768 CA ASN B 51 -6.650 21.176 53.851 1.00 35.82 C ATOM 1769 C ASN B 51 -7.793 21.995 54.428 1.00 35.70 C ATOM 1770 O ASN B 51 -8.730 22.349 53.707 1.00 36.18 O ATOM 1771 CB ASN B 51 -6.990 19.670 54.013 1.00 36.10 C ATOM 1772 CG ASN B 51 -6.124 18.758 53.149 1.00 37.39 C ATOM 1773 OD1 ASN B 51 -5.560 17.741 53.636 1.00 41.02 O ATOM 1774 ND2 ASN B 51 -6.027 19.081 51.873 1.00 31.06 N ATOM 1775 N MET B 52 -7.743 22.231 55.740 1.00 37.13 N ATOM 1776 CA MET B 52 -8.741 23.060 56.422 1.00 38.59 C ATOM 1777 C MET B 52 -8.750 24.530 55.939 1.00 38.20 C ATOM 1778 O MET B 52 -9.811 25.103 55.749 1.00 38.40 O ATOM 1779 CB MET B 52 -8.543 22.999 57.940 1.00 38.94 C ATOM 1780 CG MET B 52 -9.710 23.562 58.742 1.00 42.76 C ATOM 1781 SD MET B 52 -11.118 22.454 58.911 1.00 48.59 S ATOM 1782 CE MET B 52 -12.240 23.181 57.740 1.00 47.07 C ATOM 1783 N ARG B 53 -7.582 25.139 55.746 1.00 37.53 N ATOM 1784 CA ARG B 53 -7.536 26.468 55.123 1.00 37.66 C ATOM 1785 C ARG B 53 -8.200 26.475 53.773 1.00 37.56 C ATOM 1786 O ARG B 53 -8.898 27.412 53.463 1.00 37.77 O ATOM 1787 CB ARG B 53 -6.109 26.980 54.960 1.00 37.75 C ATOM 1788 CG ARG B 53 -5.488 27.381 56.298 1.00 35.51 C ATOM 1789 CD ARG B 53 -4.114 28.069 56.109 1.00 38.76 C ATOM 1790 NE ARG B 53 -3.078 27.240 55.464 1.00 39.64 N ATOM 1791 CZ ARG B 53 -2.186 26.469 56.081 1.00 35.92 C ATOM 1792 NH1 ARG B 53 -2.150 26.330 57.410 1.00 38.44 N ATOM 1793 NH2 ARG B 53 -1.316 25.811 55.348 1.00 33.82 N ATOM 1794 N ALA B 54 -7.955 25.444 52.971 1.00 38.64 N ATOM 1795 CA ALA B 54 -8.509 25.384 51.599 1.00 39.20 C ATOM 1796 C ALA B 54 -10.023 25.129 51.570 1.00 40.84 C ATOM 1797 O ALA B 54 -10.732 25.638 50.688 1.00 39.69 O ATOM 1798 CB ALA B 54 -7.781 24.332 50.796 1.00 39.47 C ATOM 1799 N LYS B 55 -10.502 24.310 52.507 1.00 42.89 N ATOM 1800 CA LYS B 55 -11.934 24.069 52.702 1.00 45.15 C ATOM 1801 C LYS B 55 -12.671 25.336 53.143 1.00 46.46 C ATOM 1802 O LYS B 55 -13.752 25.633 52.644 1.00 46.92 O ATOM 1803 CB LYS B 55 -12.160 22.971 53.746 1.00 45.51 C ATOM 1804 CG LYS B 55 -13.625 22.517 53.828 1.00 46.88 C ATOM 1805 CD LYS B 55 -13.958 21.929 55.191 1.00 49.44 C ATOM 1806 CE LYS B 55 -15.436 21.544 55.269 1.00 51.58 C ATOM 1807 NZ LYS B 55 -15.763 21.116 56.664 1.00 53.11 N ATOM 1808 N ILE B 56 -12.079 26.076 54.079 1.00 48.55 N ATOM 1809 CA ILE B 56 -12.692 27.291 54.633 1.00 50.26 C ATOM 1810 C ILE B 56 -12.599 28.467 53.674 1.00 51.27 C ATOM 1811 O ILE B 56 -13.486 29.329 53.649 1.00 51.94 O ATOM 1812 CB ILE B 56 -12.113 27.647 56.025 1.00 50.35 C ATOM 1813 CG1 ILE B 56 -12.543 26.580 57.033 1.00 51.83 C ATOM 1814 CG2 ILE B 56 -12.597 29.010 56.473 1.00 51.01 C ATOM 1815 CD1 ILE B 56 -12.337 26.942 58.497 1.00 54.06 C ATOM 1816 N LYS B 57 -11.547 28.488 52.861 1.00 52.31 N ATOM 1817 CA LYS B 57 -11.455 29.467 51.779 1.00 53.14 C ATOM 1818 C LYS B 57 -12.506 29.185 50.698 1.00 53.36 C ATOM 1819 O LYS B 57 -13.078 30.114 50.120 1.00 53.34 O ATOM 1820 CB LYS B 57 -10.047 29.486 51.177 1.00 53.51 C ATOM 1821 CG LYS B 57 -9.690 30.793 50.489 1.00 54.66 C ATOM 1822 CD LYS B 57 -8.654 30.558 49.411 1.00 56.79 C ATOM 1823 CE LYS B 57 -8.382 31.823 48.612 1.00 58.08 C ATOM 1824 NZ LYS B 57 -7.577 32.801 49.401 1.00 59.23 N ATOM 1825 N LYS B 58 -12.759 27.903 50.438 1.00 53.69 N ATOM 1826 CA LYS B 58 -13.793 27.484 49.487 1.00 53.25 C ATOM 1827 C LYS B 58 -15.221 27.655 50.026 1.00 53.38 C ATOM 1828 O LYS B 58 -16.161 27.836 49.251 1.00 52.92 O ATOM 1829 N SER B 59 -15.378 27.588 51.348 1.00 53.45 N ATOM 1830 CA SER B 59 -16.676 27.754 52.008 1.00 53.68 C ATOM 1831 C SER B 59 -17.024 29.227 52.179 1.00 53.76 C ATOM 1832 O SER B 59 -16.775 30.046 51.293 1.00 53.98 O ATOM 1833 CB SER B 59 -16.685 27.075 53.383 1.00 53.95 C ATOM 1834 OG SER B 59 -16.177 25.751 53.329 1.00 54.23 O TER 1835 SER B 59 HETATM 1836 C1 GOL C 204 1.279 32.382 49.209 1.00 53.93 C HETATM 1837 O1 GOL C 204 -0.071 32.254 48.853 1.00 52.14 O HETATM 1838 C2 GOL C 204 1.348 32.254 50.716 1.00 53.39 C HETATM 1839 O2 GOL C 204 0.248 32.943 51.271 1.00 54.13 O HETATM 1840 C3 GOL C 204 2.674 32.800 51.236 1.00 54.69 C HETATM 1841 O3 GOL C 204 3.645 31.773 51.169 1.00 54.80 O HETATM 1842 C1 GOL A 201 21.684 33.238 41.502 1.00 58.30 C HETATM 1843 O1 GOL A 201 22.544 33.116 42.624 1.00 58.40 O HETATM 1844 C2 GOL A 201 22.307 32.716 40.205 1.00 58.37 C HETATM 1845 O2 GOL A 201 21.369 31.938 39.472 1.00 57.51 O HETATM 1846 C3 GOL A 201 22.763 33.922 39.385 1.00 58.58 C HETATM 1847 O3 GOL A 201 23.533 33.550 38.262 1.00 58.78 O HETATM 1848 N2 3MO B 301 -0.151 33.963 56.248 1.00 44.06 N HETATM 1849 C4 3MO B 301 0.133 32.836 54.238 1.00 45.28 C HETATM 1850 O6 3MO B 301 1.543 32.962 57.447 1.00 45.19 O HETATM 1851 C1 3MO B 301 0.872 33.144 56.440 1.00 44.42 C HETATM 1852 O5 3MO B 301 1.128 32.452 55.202 1.00 46.23 O HETATM 1853 C3 3MO B 301 -0.735 33.914 54.906 1.00 44.29 C HETATM 1854 C7 3MO B 301 -0.732 34.893 57.191 1.00 41.48 C HETATM 1855 C1 GOL B 202 5.131 9.904 64.699 1.00 44.93 C HETATM 1856 O1 GOL B 202 6.130 10.899 64.591 1.00 50.11 O HETATM 1857 C2 GOL B 202 4.067 10.362 65.689 1.00 44.78 C HETATM 1858 O2 GOL B 202 4.673 10.525 66.957 1.00 46.42 O HETATM 1859 C3 GOL B 202 2.981 9.298 65.783 1.00 44.51 C HETATM 1860 O3 GOL B 202 3.592 8.067 66.122 1.00 42.13 O HETATM 1861 C1 GOL B 203 -6.897 33.262 54.912 1.00 66.04 C HETATM 1862 O1 GOL B 203 -5.664 33.926 55.078 1.00 66.46 O HETATM 1863 C2 GOL B 203 -6.910 31.955 55.700 1.00 65.90 C HETATM 1864 O2 GOL B 203 -5.711 31.811 56.421 1.00 66.50 O HETATM 1865 C3 GOL B 203 -7.052 30.782 54.737 1.00 65.98 C HETATM 1866 O3 GOL B 203 -8.136 29.973 55.136 1.00 65.83 O HETATM 1867 O HOH C 205 -7.383 22.807 47.188 1.00 37.20 O HETATM 1868 O HOH C 206 19.512 23.986 52.455 1.00 52.49 O HETATM 1869 O HOH C 207 52.248 39.870 46.201 1.00 46.24 O HETATM 1870 O HOH C 208 11.353 21.563 46.686 1.00 55.92 O HETATM 1871 O HOH C 209 16.809 27.629 44.328 1.00 36.52 O HETATM 1872 O HOH C 210 -5.584 29.863 52.201 1.00 40.13 O HETATM 1873 O HOH C 211 20.825 27.642 39.493 1.00 36.51 O HETATM 1874 O HOH C 212 -4.173 25.377 51.729 1.00 29.48 O HETATM 1875 O HOH C 213 8.021 21.009 48.944 1.00 54.31 O HETATM 1876 O HOH C 214 -4.135 23.587 49.599 1.00 32.45 O HETATM 1877 O HOH C 215 -5.947 27.601 51.025 1.00 36.67 O HETATM 1878 O HOH C 216 -0.090 24.921 52.102 1.00 31.96 O HETATM 1879 O HOH C 217 13.639 23.590 45.217 1.00 46.37 O HETATM 1880 O HOH C 218 -1.295 22.156 39.673 1.00 55.63 O HETATM 1881 O HOH C 219 -5.853 21.360 49.491 1.00 46.53 O HETATM 1882 O HOH C 220 3.196 29.161 58.617 1.00 39.19 O HETATM 1883 O HOH C 221 -7.142 27.113 48.284 1.00 40.50 O HETATM 1884 O HOH C 222 -1.724 24.673 40.944 1.00 45.53 O HETATM 1885 O HOH C 223 27.419 28.167 37.015 1.00 50.18 O HETATM 1886 O HOH C 224 59.775 35.917 43.691 1.00 53.04 O HETATM 1887 O HOH C 225 5.692 29.298 59.351 1.00 52.59 O HETATM 1888 O HOH C 226 1.613 23.385 53.688 1.00 59.15 O HETATM 1889 O HOH C 227 5.545 30.468 51.928 1.00 59.32 O HETATM 1890 O HOH C 228 1.486 29.747 47.319 1.00 49.94 O HETATM 1891 O HOH C 229 -8.741 24.064 43.426 1.00 61.58 O HETATM 1892 O HOH C 230 -2.552 32.396 45.303 1.00 59.35 O HETATM 1893 O HOH D 43 10.591 29.061 42.783 1.00 35.53 O HETATM 1894 O HOH D 44 -4.074 11.002 47.359 1.00 39.39 O HETATM 1895 O HOH D 45 54.430 40.176 51.564 1.00 40.25 O HETATM 1896 O HOH D 46 -3.399 18.895 51.050 1.00 31.93 O HETATM 1897 O HOH D 47 53.591 33.140 53.121 1.00 45.75 O HETATM 1898 O HOH D 48 55.444 42.471 50.217 1.00 44.73 O HETATM 1899 O HOH D 49 50.346 41.191 53.339 1.00 47.22 O HETATM 1900 O HOH D 50 12.378 35.216 44.099 1.00 28.92 O HETATM 1901 O HOH D 51 13.546 30.973 45.301 1.00 35.05 O HETATM 1902 O HOH D 52 15.733 26.774 54.739 1.00 53.17 O HETATM 1903 O HOH D 53 7.507 31.633 50.432 1.00 40.35 O HETATM 1904 O HOH D 54 16.583 30.990 46.024 1.00 40.28 O HETATM 1905 O HOH D 55 4.230 31.214 46.380 1.00 51.96 O HETATM 1906 O HOH D 56 11.119 30.701 53.681 1.00 48.79 O HETATM 1907 O HOH D 57 1.401 18.631 50.065 1.00 46.02 O HETATM 1908 O HOH D 58 10.936 25.462 44.042 1.00 45.41 O HETATM 1909 O HOH D 59 7.213 20.307 43.971 1.00 46.23 O HETATM 1910 O HOH D 60 12.693 32.512 43.199 1.00 25.52 O HETATM 1911 O HOH D 61 10.697 36.329 42.622 1.00 34.37 O HETATM 1912 O HOH D 62 52.940 34.400 59.772 1.00 38.14 O HETATM 1913 O HOH D 63 16.510 32.903 47.920 1.00 41.35 O HETATM 1914 O HOH D 64 -2.301 10.176 45.318 1.00 63.84 O HETATM 1915 O HOH D 65 -1.532 15.138 41.854 1.00 54.69 O HETATM 1916 O HOH D 66 -2.670 15.416 54.727 1.00 31.55 O HETATM 1917 O HOH D 67 53.026 41.628 53.288 1.00 45.22 O HETATM 1918 O HOH D 68 8.759 30.906 52.523 1.00 54.43 O HETATM 1919 O HOH D 69 3.546 15.522 38.396 1.00 50.76 O HETATM 1920 O HOH D 70 1.230 14.268 53.587 1.00 43.75 O HETATM 1921 O HOH D 71 54.414 41.414 56.649 1.00 50.82 O HETATM 1922 O HOH D 72 19.969 33.008 47.002 1.00 55.56 O HETATM 1923 O HOH D 73 48.657 33.843 54.142 1.00 56.06 O HETATM 1924 O HOH D 74 2.607 27.692 41.305 1.00 57.99 O HETATM 1925 O HOH D 75 4.580 19.119 47.937 1.00 50.26 O HETATM 1926 O HOH D 76 6.467 21.054 46.818 1.00 45.79 O HETATM 1927 O HOH D 77 41.045 28.124 46.096 1.00 61.49 O HETATM 1928 O HOH A 202 3.495 25.671 31.344 1.00 49.31 O HETATM 1929 O HOH A 203 18.263 43.627 27.637 1.00 55.85 O HETATM 1930 O HOH A 204 19.622 17.880 37.107 1.00 46.47 O HETATM 1931 O HOH A 205 13.481 38.975 40.686 1.00 40.39 O HETATM 1932 O HOH A 206 24.658 31.862 37.042 1.00 50.39 O HETATM 1933 O HOH A 207 21.170 46.094 47.170 1.00 54.52 O HETATM 1934 O HOH A 208 14.736 24.287 41.986 1.00 48.54 O HETATM 1935 O HOH A 209 21.742 31.285 44.248 1.00 44.57 O HETATM 1936 O HOH A 210 16.847 26.135 42.210 1.00 39.80 O HETATM 1937 O HOH A 211 15.470 17.015 31.551 1.00 31.54 O HETATM 1938 O HOH A 212 20.307 25.393 38.371 1.00 31.01 O HETATM 1939 O HOH A 213 6.075 28.545 25.816 1.00 54.41 O HETATM 1940 O HOH A 214 11.912 28.410 37.662 1.00 25.61 O HETATM 1941 O HOH A 215 10.515 29.740 35.886 1.00 31.41 O HETATM 1942 O HOH A 216 8.769 25.531 34.538 1.00 42.57 O HETATM 1943 O HOH A 217 6.684 36.480 32.623 1.00 51.78 O HETATM 1944 O HOH A 218 4.903 20.735 26.437 1.00 57.36 O HETATM 1945 O HOH A 219 17.026 20.759 20.428 1.00 44.58 O HETATM 1946 O HOH A 220 10.967 38.285 40.793 1.00 42.93 O HETATM 1947 O HOH A 221 13.297 20.417 39.839 1.00 43.01 O HETATM 1948 O HOH A 222 19.162 39.847 34.209 1.00 58.07 O HETATM 1949 O HOH A 223 19.358 38.304 32.469 1.00 50.75 O HETATM 1950 O HOH A 224 5.842 25.839 34.282 1.00 62.76 O HETATM 1951 O HOH A 225 18.904 24.425 41.360 1.00 43.17 O HETATM 1952 O HOH A 226 27.178 24.960 25.264 1.00 56.08 O HETATM 1953 O HOH A 227 21.857 39.689 28.149 1.00 48.89 O HETATM 1954 O HOH A 228 3.881 24.909 28.619 1.00 54.00 O HETATM 1955 O HOH A 229 13.342 38.963 37.996 1.00 43.43 O HETATM 1956 O HOH A 230 18.067 22.084 41.434 1.00 48.94 O HETATM 1957 O HOH A 231 15.052 22.403 39.715 1.00 53.35 O HETATM 1958 O HOH A 232 16.249 34.357 23.325 1.00 58.63 O HETATM 1959 O HOH A 233 8.685 37.839 44.202 1.00 50.36 O HETATM 1960 O HOH B 302 -2.100 17.831 53.023 1.00 44.57 O HETATM 1961 O HOH B 303 7.784 28.013 61.906 1.00 43.00 O HETATM 1962 O HOH B 304 -5.175 32.167 50.210 1.00 45.62 O HETATM 1963 O HOH B 305 -16.293 25.542 56.417 1.00 60.36 O HETATM 1964 O HOH B 306 6.634 16.771 58.870 1.00 54.48 O HETATM 1965 O HOH B 307 -11.893 10.478 70.545 1.00 33.78 O HETATM 1966 O HOH B 308 5.971 13.366 63.476 1.00 36.70 O HETATM 1967 O HOH B 309 -0.051 23.447 57.233 1.00 29.37 O HETATM 1968 O HOH B 310 -7.092 6.327 63.679 1.00 32.11 O HETATM 1969 O HOH B 311 -9.996 28.129 70.030 1.00 39.91 O HETATM 1970 O HOH B 312 -12.967 22.156 69.295 1.00 52.60 O HETATM 1971 O HOH B 313 6.774 13.597 59.026 1.00 49.73 O HETATM 1972 O HOH B 314 10.499 18.315 64.068 1.00 59.53 O HETATM 1973 O HOH B 315 -5.964 16.415 56.363 1.00 27.13 O HETATM 1974 O HOH B 316 -3.801 15.162 57.222 1.00 29.22 O HETATM 1975 O HOH B 317 0.579 18.238 52.829 1.00 41.43 O HETATM 1976 O HOH B 318 -5.468 17.770 73.271 1.00 50.87 O HETATM 1977 O HOH B 319 6.361 15.919 67.432 1.00 52.56 O HETATM 1978 O HOH B 320 -3.192 8.716 49.302 1.00 48.48 O HETATM 1979 O HOH B 321 -14.731 16.469 67.507 1.00 41.97 O HETATM 1980 O HOH B 322 0.280 25.965 58.614 1.00 23.80 O HETATM 1981 O HOH B 323 7.236 10.086 58.709 1.00 46.41 O HETATM 1982 O HOH B 324 -12.406 28.825 61.947 1.00 53.60 O HETATM 1983 O HOH B 325 -13.977 24.167 62.627 1.00 56.33 O HETATM 1984 O HOH B 326 -14.038 24.643 67.757 1.00 60.48 O HETATM 1985 O HOH B 327 -13.951 10.349 65.143 1.00 58.06 O HETATM 1986 O HOH B 328 6.652 29.134 67.291 1.00 47.33 O HETATM 1987 O HOH B 329 8.547 27.844 66.020 1.00 41.18 O HETATM 1988 O HOH B 330 -12.932 9.036 68.271 1.00 52.66 O HETATM 1989 O HOH B 331 1.449 16.793 54.507 1.00 46.74 O HETATM 1990 O HOH B 332 -6.095 15.521 73.587 1.00 46.40 O HETATM 1991 O HOH B 333 -13.031 26.976 69.102 1.00 53.04 O HETATM 1992 O HOH B 334 -11.891 25.431 63.732 1.00 54.39 O HETATM 1993 O HOH B 335 4.810 14.128 66.598 1.00 56.40 O HETATM 1994 O HOH B 336 3.917 23.782 59.717 1.00 51.04 O HETATM 1995 O HOH B 337 7.283 5.459 49.450 1.00 54.22 O CONECT 1836 1837 1838 CONECT 1837 1836 CONECT 1838 1836 1839 1840 CONECT 1839 1838 CONECT 1840 1838 1841 CONECT 1841 1840 CONECT 1842 1843 1844 CONECT 1843 1842 CONECT 1844 1842 1845 1846 CONECT 1845 1844 CONECT 1846 1844 1847 CONECT 1847 1846 CONECT 1848 1851 1853 1854 CONECT 1849 1852 1853 CONECT 1850 1851 CONECT 1851 1848 1850 1852 CONECT 1852 1849 1851 CONECT 1853 1848 1849 CONECT 1854 1848 CONECT 1855 1856 1857 CONECT 1856 1855 CONECT 1857 1855 1858 1859 CONECT 1858 1857 CONECT 1859 1857 1860 CONECT 1860 1859 CONECT 1861 1862 1863 CONECT 1862 1861 CONECT 1863 1861 1864 1865 CONECT 1864 1863 CONECT 1865 1863 1866 CONECT 1866 1865 MASTER 409 0 5 6 0 0 8 6 1965 4 31 14 END
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Related entries of code: 2hos
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2hdd
RCSB PDB
PDBbind
21aa, >2HDD_2|Chain... *
2hot
RCSB PDB
PDBbind
21aa, >2HOT_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2hos
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Segmentation polarity homeobox protein engrailed
Ligand Name
TAATCC20
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=5.8nM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
ACS Chem. Biol. 2006, 12, 755-760.
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):
P02836
Entrez Gene ID
NCBI Entrez Gene ID:
36240
ASD
Information of known allosteric effects of PDB entries
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