Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION/DNA 16-JUL-06 2HOT TITLE PHAGE SELECTED HOMEODOMAIN BOUND TO MODIFIED 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: SOLID-PHASE DNA SYNTHESIS; SOURCE 4 MOL_ID: 2; SOURCE 5 SYNTHETIC: YES; SOURCE 6 OTHER_DETAILS: COMMERCIAL SOLID-PHASE DNA 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 M.E.FELDMAN,M.D.SIMON,K.M.SHOKAT REVDAT 5 18-OCT-17 2HOT 1 REMARK REVDAT 4 13-JUL-11 2HOT 1 VERSN REVDAT 3 24-FEB-09 2HOT 1 VERSN REVDAT 2 08-MAY-07 2HOT 1 JRNL REVDAT 1 12-DEC-06 2HOT 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. 2.19 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) : 2.19 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.88 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 89.1 REMARK 3 NUMBER OF REFLECTIONS : 15927 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) : 0.224 REMARK 3 R VALUE (WORKING SET) : 0.222 REMARK 3 FREE R VALUE : 0.254 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1183 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.19 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.25 REMARK 3 REFLECTION IN BIN (WORKING SET) : 832 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 62.92 REMARK 3 BIN R VALUE (WORKING SET) : 0.2760 REMARK 3 BIN FREE R VALUE SET COUNT : 57 REMARK 3 BIN FREE R VALUE : 0.4000 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 938 REMARK 3 NUCLEIC ACID ATOMS : 854 REMARK 3 HETEROGEN ATOMS : 21 REMARK 3 SOLVENT ATOMS : 80 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) : 38.42 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.08000 REMARK 3 B22 (A**2) : 0.33000 REMARK 3 B33 (A**2) : 0.73000 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): 0.246 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.205 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.134 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 9.875 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.935 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.920 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1926 ; 0.010 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2756 ; 1.660 ; 2.518 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 112 ; 4.870 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 50 ;30.250 ;22.000 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 197 ;13.987 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 15 ;17.408 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 295 ; 0.078 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1163 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 601 ; 0.180 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1185 ; 0.296 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 110 ; 0.167 ; 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): 45 ; 0.205 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 9 ; 0.149 ; 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): 585 ; 0.632 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 895 ; 1.032 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1817 ; 1.512 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1861 ; 2.440 ; 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): 17.1870 29.3670 33.0710 REMARK 3 T TENSOR REMARK 3 T11: .0214 T22: -.1818 REMARK 3 T33: -.2091 T12: -.0269 REMARK 3 T13: .1143 T23: .0115 REMARK 3 L TENSOR REMARK 3 L11: 2.6828 L22: 12.3002 REMARK 3 L33: 5.5397 L12: -.6772 REMARK 3 L13: -.2233 L23: 1.7250 REMARK 3 S TENSOR REMARK 3 S11: .0198 S12: .0077 S13: -.0476 REMARK 3 S21: -.7935 S22: -.0620 S23: -.7270 REMARK 3 S31: -.0140 S32: .2685 S33: .0422 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): -4.0500 20.2410 62.3060 REMARK 3 T TENSOR REMARK 3 T11: -.1070 T22: -.2200 REMARK 3 T33: -.2351 T12: -.0255 REMARK 3 T13: .0476 T23: -.0075 REMARK 3 L TENSOR REMARK 3 L11: 3.2291 L22: 9.7122 REMARK 3 L33: 3.0486 L12: -.7342 REMARK 3 L13: -1.6442 L23: -.8750 REMARK 3 S TENSOR REMARK 3 S11: -.1014 S12: -.0168 S13: -.0182 REMARK 3 S21: .1202 S22: .0717 S23: .1865 REMARK 3 S31: .0554 S32: -.0798 S33: .0297 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): 25.0810 28.3670 48.0200 REMARK 3 T TENSOR REMARK 3 T11: .0351 T22: .3027 REMARK 3 T33: .1206 T12: -.1352 REMARK 3 T13: -.0793 T23: .0454 REMARK 3 L TENSOR REMARK 3 L11: 10.0942 L22: .3092 REMARK 3 L33: .0438 L12: 1.7600 REMARK 3 L13: -.5841 L23: -.0971 REMARK 3 S TENSOR REMARK 3 S11: -.3632 S12: -.1037 S13: -.5070 REMARK 3 S21: -.0403 S22: .2098 S23: -.3674 REMARK 3 S31: -.0539 S32: .2261 S33: .1534 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 2HOT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-JUL-06. REMARK 100 THE DEPOSITION ID IS D_1000038589. 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 : 18302 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.190 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.2 REMARK 200 DATA REDUNDANCY : 3.000 REMARK 200 R MERGE (I) : 0.04000 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 13.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.19 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.27 REMARK 200 COMPLETENESS FOR SHELL (%) : 76.3 REMARK 200 DATA REDUNDANCY IN SHELL : 2.40 REMARK 200 R MERGE FOR SHELL (I) : 0.29300 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: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 62.40 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.27 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG-400/NH4OAC, PH 7, VAPOR DIFFUSION, REMARK 280 HANGING DROP, TEMPERATURE 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 63.92800 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.52300 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 63.92800 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.52300 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 GLU A 11 CD OE1 OE2 REMARK 470 GLU A 22 CD OE1 OE2 REMARK 470 ARG A 29 CD NE CZ NH1 NH2 REMARK 470 LYS A 57 CD CE NZ REMARK 470 LYS A 58 CD CE NZ REMARK 470 THR A 60 CB OG1 CG2 REMARK 470 GLU B 11 OE1 OE2 REMARK 470 ARG B 29 CZ NH1 NH2 REMARK 470 LYS B 57 CG CD CE NZ 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. = 4.6 DEGREES REMARK 500 DT C 3 O4' - C1' - N1 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT C 4 C1' - O4' - C4' ANGL. DEV. = -6.5 DEGREES REMARK 500 DT C 4 O4' - C1' - N1 ANGL. DEV. = 3.6 DEGREES REMARK 500 DC C 6 C3' - O3' - P ANGL. DEV. = 8.2 DEGREES REMARK 500 DC C 7 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DT C 11 C3' - C2' - C1' ANGL. DEV. = -5.5 DEGREES REMARK 500 DT C 11 O4' - C1' - N1 ANGL. DEV. = 4.0 DEGREES REMARK 500 DC C 15 O4' - C1' - N1 ANGL. DEV. = 1.8 DEGREES REMARK 500 DC C 16 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES REMARK 500 DC C 17 O4' - C4' - C3' ANGL. DEV. = -3.0 DEGREES REMARK 500 DG C 19 O4' - C1' - N9 ANGL. DEV. = 2.8 DEGREES REMARK 500 DG C 20 O4' - C1' - N9 ANGL. DEV. = 1.8 DEGREES REMARK 500 DA C 21 O4' - C1' - N9 ANGL. DEV. = 5.0 DEGREES REMARK 500 DA D 22 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES REMARK 500 DT D 23 O4' - C1' - N1 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC D 24 O4' - C1' - N1 ANGL. DEV. = 4.2 DEGREES REMARK 500 DG D 26 O4' - C1' - N9 ANGL. DEV. = 4.3 DEGREES REMARK 500 DG D 27 O4' - C1' - N9 ANGL. DEV. = 5.1 DEGREES REMARK 500 DG D 29 O4' - C1' - N9 ANGL. DEV. = 2.6 DEGREES REMARK 500 DT D 31 O4' - C1' - N1 ANGL. DEV. = 2.1 DEGREES REMARK 500 DC D 34 O4' - C1' - N1 ANGL. DEV. = 4.6 DEGREES REMARK 500 DT D 36 O4' - C1' - N1 ANGL. DEV. = 3.5 DEGREES REMARK 500 DC D 39 C3' - C2' - C1' ANGL. DEV. = -5.7 DEGREES REMARK 500 DC D 39 O4' - C1' - N1 ANGL. DEV. = 3.7 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 P2O C 22 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL B 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 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2HDD RELATED DB: PDB REMARK 900 ENGRAILED HOMEODOMAIN Q50K MUTANT BOUND TO THE SAME DNA BUT REMARK 900 UNMODIFIED REMARK 900 RELATED ID: 2HOS RELATED DB: PDB DBREF 2HOT A 0 60 UNP P02836 HMEN_DROME 453 513 DBREF 2HOT B 0 60 UNP P02836 HMEN_DROME 453 513 DBREF 2HOT C 1 21 PDB 2HOT 2HOT 1 21 DBREF 2HOT D 22 42 PDB 2HOT 2HOT 22 42 SEQADV 2HOT GLY A -2 UNP P02836 CLONING ARTIFACT SEQADV 2HOT SER A -1 UNP P02836 CLONING ARTIFACT SEQADV 2HOT VAL A 45 UNP P02836 ILE 498 ENGINEERED SEQADV 2HOT GLY A 47 UNP P02836 ILE 500 ENGINEERED SEQADV 2HOT LYS A 50 UNP P02836 GLN 503 ENGINEERED SEQADV 2HOT MET A 52 UNP P02836 LYS 505 ENGINEERED SEQADV 2HOT GLY B -2 UNP P02836 CLONING ARTIFACT SEQADV 2HOT SER B -1 UNP P02836 CLONING ARTIFACT SEQADV 2HOT VAL B 45 UNP P02836 ILE 498 ENGINEERED SEQADV 2HOT GLY B 47 UNP P02836 ILE 500 ENGINEERED SEQADV 2HOT LYS B 50 UNP P02836 GLN 503 ENGINEERED SEQADV 2HOT 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 P2O C 22 9 HET GOL B 201 6 HET GOL B 202 6 HETNAM P2O 3-PROP-2-YN-1-YL-1,3-OXAZOLIDIN-2-ONE HETNAM GOL GLYCEROL HETSYN P2O 1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 5 P2O C6 H7 N O2 FORMUL 6 GOL 2(C3 H8 O3) FORMUL 8 HOH *80(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 21 1 13 HELIX 5 5 THR B 27 GLY B 39 1 13 HELIX 6 6 ASN B 41 SER B 59 1 19 LINK C5 DT C 14 C7 P2O C 22 1555 1555 1.45 SITE 1 AC1 6 ALA A 43 LYS A 46 GLY A 47 LYS A 50 SITE 2 AC1 6 DA C 13 DT C 14 SITE 1 AC2 4 PHE B 20 ASN B 21 ARG B 24 ASN B 41 SITE 1 AC3 7 SER B 9 GLU B 11 GLN B 12 TYR B 25 SITE 2 AC3 7 HOH B 219 DC C 18 HOH C 23 CRYST1 127.856 45.046 73.568 90.00 118.65 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 0.007821 0.000000 0.004273 0.00000 SCALE2 0.000000 0.022200 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015489 0.00000 ATOM 1 O5' DT C 1 54.044 40.473 40.370 1.00 25.50 O ATOM 2 C5' DT C 1 55.398 40.957 40.185 1.00 24.10 C ATOM 3 C4' DT C 1 56.516 39.919 40.290 1.00 24.40 C ATOM 4 O4' DT C 1 57.526 40.394 41.233 1.00 25.98 O ATOM 5 C3' DT C 1 56.140 38.530 40.780 1.00 26.11 C ATOM 6 O3' DT C 1 56.021 37.599 39.679 1.00 29.77 O ATOM 7 C2' DT C 1 57.273 38.109 41.701 1.00 24.36 C ATOM 8 C1' DT C 1 57.772 39.427 42.244 1.00 23.60 C ATOM 9 N1 DT C 1 57.221 39.842 43.614 1.00 22.82 N ATOM 10 C2 DT C 1 57.812 39.269 44.729 1.00 21.22 C ATOM 11 O2 DT C 1 58.715 38.456 44.666 1.00 21.78 O ATOM 12 N3 DT C 1 57.327 39.697 45.938 1.00 20.46 N ATOM 13 C4 DT C 1 56.314 40.617 46.145 1.00 22.05 C ATOM 14 O4 DT C 1 55.977 40.904 47.290 1.00 21.80 O ATOM 15 C5 DT C 1 55.710 41.182 44.937 1.00 21.81 C ATOM 16 C7 DT C 1 54.604 42.194 45.017 1.00 20.63 C ATOM 17 C6 DT C 1 56.192 40.775 43.746 1.00 21.60 C ATOM 18 P DT C 2 55.180 36.248 39.882 1.00 31.93 P ATOM 19 OP1 DT C 2 55.169 35.536 38.583 1.00 34.49 O ATOM 20 OP2 DT C 2 53.877 36.544 40.514 1.00 29.27 O ATOM 21 O5' DT C 2 56.084 35.435 40.929 1.00 31.04 O ATOM 22 C5' DT C 2 57.431 35.037 40.668 1.00 31.47 C ATOM 23 C4' DT C 2 57.859 34.036 41.735 1.00 33.09 C ATOM 24 O4' DT C 2 57.882 34.590 43.097 1.00 31.31 O ATOM 25 C3' DT C 2 56.956 32.809 41.813 1.00 33.05 C ATOM 26 O3' DT C 2 57.762 31.687 42.135 1.00 37.57 O ATOM 27 C2' DT C 2 55.999 33.143 42.953 1.00 31.71 C ATOM 28 C1' DT C 2 56.877 33.969 43.895 1.00 29.60 C ATOM 29 N1 DT C 2 56.141 35.023 44.685 1.00 28.65 N ATOM 30 C2 DT C 2 56.286 35.042 46.062 1.00 27.64 C ATOM 31 O2 DT C 2 56.968 34.248 46.699 1.00 27.52 O ATOM 32 N3 DT C 2 55.590 36.049 46.684 1.00 27.45 N ATOM 33 C4 DT C 2 54.786 37.013 46.103 1.00 28.27 C ATOM 34 O4 DT C 2 54.218 37.857 46.796 1.00 28.62 O ATOM 35 C5 DT C 2 54.667 36.938 44.655 1.00 27.57 C ATOM 36 C7 DT C 2 53.831 37.927 43.893 1.00 26.62 C ATOM 37 C6 DT C 2 55.344 35.960 44.029 1.00 27.62 C ATOM 38 P DT C 3 57.300 30.188 41.826 1.00 39.96 P ATOM 39 OP1 DT C 3 58.564 29.429 41.660 1.00 40.24 O ATOM 40 OP2 DT C 3 56.219 30.208 40.812 1.00 38.84 O ATOM 41 O5' DT C 3 56.588 29.692 43.171 1.00 42.01 O ATOM 42 C5' DT C 3 57.177 29.798 44.472 1.00 43.16 C ATOM 43 C4' DT C 3 56.069 29.547 45.481 1.00 43.46 C ATOM 44 O4' DT C 3 55.480 30.824 45.847 1.00 42.85 O ATOM 45 C3' DT C 3 54.917 28.706 44.934 1.00 45.03 C ATOM 46 O3' DT C 3 54.291 27.845 45.890 1.00 48.25 O ATOM 47 C2' DT C 3 53.894 29.770 44.541 1.00 44.50 C ATOM 48 C1' DT C 3 54.083 30.707 45.729 1.00 41.58 C ATOM 49 N1 DT C 3 53.413 32.042 45.625 1.00 41.00 N ATOM 50 C2 DT C 3 53.220 32.782 46.780 1.00 40.40 C ATOM 51 O2 DT C 3 53.584 32.424 47.887 1.00 39.83 O ATOM 52 N3 DT C 3 52.583 33.984 46.586 1.00 39.75 N ATOM 53 C4 DT C 3 52.128 34.504 45.389 1.00 40.01 C ATOM 54 O4 DT C 3 51.575 35.593 45.342 1.00 40.08 O ATOM 55 C5 DT C 3 52.355 33.682 44.218 1.00 40.11 C ATOM 56 C7 DT C 3 51.911 34.130 42.855 1.00 40.22 C ATOM 57 C6 DT C 3 52.972 32.505 44.395 1.00 40.34 C ATOM 58 P DT C 4 55.023 26.738 46.780 1.00 50.60 P ATOM 59 OP1 DT C 4 56.281 26.281 46.128 1.00 49.51 O ATOM 60 OP2 DT C 4 53.942 25.781 47.130 1.00 48.01 O ATOM 61 O5' DT C 4 55.449 27.615 48.067 1.00 50.50 O ATOM 62 C5' DT C 4 55.036 27.266 49.393 1.00 50.65 C ATOM 63 C4' DT C 4 53.784 27.981 49.895 1.00 49.71 C ATOM 64 O4' DT C 4 53.275 29.000 48.993 1.00 48.81 O ATOM 65 C3' DT C 4 52.584 27.075 50.194 1.00 50.37 C ATOM 66 O3' DT C 4 52.294 27.192 51.576 1.00 51.11 O ATOM 67 C2' DT C 4 51.434 27.664 49.371 1.00 49.55 C ATOM 68 C1' DT C 4 51.911 29.111 49.354 1.00 48.92 C ATOM 69 N1 DT C 4 51.174 30.071 48.470 1.00 48.81 N ATOM 70 C2 DT C 4 50.790 31.285 49.016 1.00 48.43 C ATOM 71 O2 DT C 4 51.011 31.620 50.166 1.00 48.46 O ATOM 72 N3 DT C 4 50.122 32.114 48.153 1.00 47.94 N ATOM 73 C4 DT C 4 49.810 31.869 46.833 1.00 48.23 C ATOM 74 O4 DT C 4 49.210 32.705 46.170 1.00 48.65 O ATOM 75 C5 DT C 4 50.235 30.581 46.314 1.00 48.67 C ATOM 76 C7 DT C 4 49.947 30.188 44.889 1.00 48.51 C ATOM 77 C6 DT C 4 50.890 29.752 47.149 1.00 48.65 C ATOM 78 P DG C 5 51.659 26.001 52.439 1.00 51.39 P ATOM 79 OP1 DG C 5 52.756 25.580 53.345 1.00 51.42 O ATOM 80 OP2 DG C 5 50.977 25.030 51.545 1.00 51.67 O ATOM 81 O5' DG C 5 50.478 26.711 53.264 1.00 50.01 O ATOM 82 C5' DG C 5 50.632 28.023 53.809 1.00 48.37 C ATOM 83 C4' DG C 5 49.298 28.745 53.937 1.00 46.22 C ATOM 84 O4' DG C 5 49.029 29.549 52.760 1.00 44.41 O ATOM 85 C3' DG C 5 48.065 27.868 54.136 1.00 47.07 C ATOM 86 O3' DG C 5 47.434 28.306 55.338 1.00 49.91 O ATOM 87 C2' DG C 5 47.206 28.137 52.891 1.00 44.92 C ATOM 88 C1' DG C 5 47.631 29.560 52.542 1.00 41.22 C ATOM 89 N9 DG C 5 47.383 30.001 51.167 1.00 40.26 N ATOM 90 C8 DG C 5 47.679 29.315 50.010 1.00 39.82 C ATOM 91 N7 DG C 5 47.355 29.960 48.922 1.00 39.93 N ATOM 92 C5 DG C 5 46.818 31.155 49.383 1.00 39.37 C ATOM 93 C6 DG C 5 46.297 32.253 48.660 1.00 39.43 C ATOM 94 O6 DG C 5 46.216 32.375 47.433 1.00 39.29 O ATOM 95 N1 DG C 5 45.845 33.273 49.502 1.00 39.49 N ATOM 96 C2 DG C 5 45.891 33.232 50.878 1.00 39.25 C ATOM 97 N2 DG C 5 45.411 34.299 51.533 1.00 39.16 N ATOM 98 N3 DG C 5 46.379 32.206 51.565 1.00 39.28 N ATOM 99 C4 DG C 5 46.826 31.202 50.761 1.00 39.73 C ATOM 100 P DC C 6 46.413 27.400 56.180 1.00 52.18 P ATOM 101 OP1 DC C 6 47.238 26.656 57.162 1.00 52.42 O ATOM 102 OP2 DC C 6 45.515 26.677 55.239 1.00 52.36 O ATOM 103 O5' DC C 6 45.503 28.471 56.967 1.00 51.92 O ATOM 104 C5' DC C 6 45.583 29.887 56.725 1.00 50.95 C ATOM 105 C4' DC C 6 44.372 30.441 55.982 1.00 50.25 C ATOM 106 O4' DC C 6 44.574 30.368 54.555 1.00 49.12 O ATOM 107 C3' DC C 6 43.029 29.753 56.213 1.00 51.08 C ATOM 108 O3' DC C 6 42.362 30.413 57.334 1.00 54.22 O ATOM 109 C2' DC C 6 42.335 29.798 54.836 1.00 49.40 C ATOM 110 C1' DC C 6 43.305 30.613 53.979 1.00 47.21 C ATOM 111 N1 DC C 6 43.375 30.327 52.490 1.00 45.91 N ATOM 112 C2 DC C 6 42.988 31.313 51.549 1.00 45.11 C ATOM 113 O2 DC C 6 42.563 32.416 51.926 1.00 44.78 O ATOM 114 N3 DC C 6 43.079 31.035 50.222 1.00 44.12 N ATOM 115 C4 DC C 6 43.535 29.848 49.814 1.00 45.34 C ATOM 116 N4 DC C 6 43.603 29.632 48.498 1.00 45.27 N ATOM 117 C5 DC C 6 43.944 28.834 50.741 1.00 45.13 C ATOM 118 C6 DC C 6 43.849 29.117 52.050 1.00 45.40 C ATOM 119 P DC C 7 40.888 31.078 57.360 1.00 57.43 P ATOM 120 OP1 DC C 7 40.718 31.686 58.701 1.00 56.97 O ATOM 121 OP2 DC C 7 39.888 30.077 56.899 1.00 56.57 O ATOM 122 O5' DC C 7 41.028 32.273 56.287 1.00 56.51 O ATOM 123 C5' DC C 7 40.465 33.573 56.507 1.00 55.01 C ATOM 124 C4' DC C 7 39.378 33.863 55.480 1.00 53.54 C ATOM 125 O4' DC C 7 39.739 33.319 54.177 1.00 51.76 O ATOM 126 C3' DC C 7 38.011 33.271 55.809 1.00 53.80 C ATOM 127 O3' DC C 7 36.981 34.141 55.338 1.00 56.19 O ATOM 128 C2' DC C 7 38.005 31.992 54.978 1.00 51.92 C ATOM 129 C1' DC C 7 38.661 32.535 53.708 1.00 49.17 C ATOM 130 N1 DC C 7 39.099 31.508 52.691 1.00 47.44 N ATOM 131 C2 DC C 7 39.150 31.859 51.333 1.00 46.46 C ATOM 132 O2 DC C 7 38.857 33.014 50.998 1.00 46.36 O ATOM 133 N3 DC C 7 39.532 30.922 50.423 1.00 45.55 N ATOM 134 C4 DC C 7 39.848 29.684 50.820 1.00 46.48 C ATOM 135 N4 DC C 7 40.222 28.797 49.896 1.00 46.60 N ATOM 136 C5 DC C 7 39.796 29.301 52.195 1.00 46.67 C ATOM 137 C6 DC C 7 39.415 30.233 53.080 1.00 46.78 C ATOM 138 P DA C 8 36.354 35.344 56.196 1.00 57.25 P ATOM 139 OP1 DA C 8 37.457 36.140 56.786 1.00 57.31 O ATOM 140 OP2 DA C 8 35.295 34.772 57.061 1.00 56.76 O ATOM 141 O5' DA C 8 35.661 36.213 55.035 1.00 56.29 O ATOM 142 C5' DA C 8 36.490 36.918 54.096 1.00 53.95 C ATOM 143 C4' DA C 8 35.837 37.099 52.729 1.00 52.17 C ATOM 144 O4' DA C 8 36.187 36.006 51.832 1.00 50.66 O ATOM 145 C3' DA C 8 34.313 37.209 52.704 1.00 51.58 C ATOM 146 O3' DA C 8 33.960 38.217 51.770 1.00 52.40 O ATOM 147 C2' DA C 8 33.867 35.822 52.245 1.00 49.78 C ATOM 148 C1' DA C 8 35.022 35.353 51.362 1.00 47.29 C ATOM 149 N9 DA C 8 35.266 33.912 51.439 1.00 46.44 N ATOM 150 C8 DA C 8 35.296 33.161 52.585 1.00 46.24 C ATOM 151 N7 DA C 8 35.537 31.886 52.381 1.00 46.72 N ATOM 152 C5 DA C 8 35.679 31.796 51.005 1.00 45.21 C ATOM 153 C6 DA C 8 35.957 30.703 50.159 1.00 45.46 C ATOM 154 N6 DA C 8 36.134 29.457 50.621 1.00 45.31 N ATOM 155 N1 DA C 8 36.039 30.949 48.828 1.00 45.64 N ATOM 156 C2 DA C 8 35.849 32.200 48.374 1.00 45.62 C ATOM 157 N3 DA C 8 35.589 33.304 49.080 1.00 45.19 N ATOM 158 C4 DA C 8 35.517 33.035 50.402 1.00 45.27 C ATOM 159 P DT C 9 32.481 38.834 51.643 1.00 54.05 P ATOM 160 OP1 DT C 9 32.595 40.213 52.170 1.00 54.14 O ATOM 161 OP2 DT C 9 31.468 37.900 52.197 1.00 53.32 O ATOM 162 O5' DT C 9 32.241 38.903 50.059 1.00 52.08 O ATOM 163 C5' DT C 9 33.229 38.434 49.131 1.00 49.91 C ATOM 164 C4' DT C 9 32.679 37.369 48.189 1.00 47.75 C ATOM 165 O4' DT C 9 32.936 36.028 48.676 1.00 46.56 O ATOM 166 C3' DT C 9 31.181 37.410 47.936 1.00 46.51 C ATOM 167 O3' DT C 9 31.044 37.790 46.574 1.00 46.98 O ATOM 168 C2' DT C 9 30.697 35.981 48.232 1.00 45.30 C ATOM 169 C1' DT C 9 31.977 35.169 48.102 1.00 42.76 C ATOM 170 N1 DT C 9 32.075 33.865 48.839 1.00 40.99 N ATOM 171 C2 DT C 9 32.448 32.714 48.163 1.00 40.38 C ATOM 172 O2 DT C 9 32.690 32.661 46.964 1.00 40.29 O ATOM 173 N3 DT C 9 32.530 31.592 48.954 1.00 39.56 N ATOM 174 C4 DT C 9 32.281 31.504 50.315 1.00 40.43 C ATOM 175 O4 DT C 9 32.374 30.448 50.933 1.00 40.93 O ATOM 176 C5 DT C 9 31.901 32.736 50.960 1.00 40.41 C ATOM 177 C7 DT C 9 31.606 32.758 52.437 1.00 41.37 C ATOM 178 C6 DT C 9 31.825 33.842 50.201 1.00 40.73 C ATOM 179 P DG C 10 29.634 38.130 45.897 1.00 47.38 P ATOM 180 OP1 DG C 10 29.892 39.294 45.015 1.00 46.76 O ATOM 181 OP2 DG C 10 28.581 38.176 46.939 1.00 47.25 O ATOM 182 O5' DG C 10 29.341 36.831 45.002 1.00 45.29 O ATOM 183 C5' DG C 10 30.335 36.420 44.042 1.00 42.28 C ATOM 184 C4' DG C 10 29.973 35.103 43.369 1.00 39.41 C ATOM 185 O4' DG C 10 30.171 34.001 44.289 1.00 37.92 O ATOM 186 C3' DG C 10 28.538 34.977 42.876 1.00 37.81 C ATOM 187 O3' DG C 10 28.617 34.315 41.645 1.00 37.19 O ATOM 188 C2' DG C 10 27.861 34.149 43.971 1.00 37.32 C ATOM 189 C1' DG C 10 28.994 33.253 44.465 1.00 34.93 C ATOM 190 N9 DG C 10 28.972 32.828 45.865 1.00 34.14 N ATOM 191 C8 DG C 10 28.675 33.572 46.981 1.00 33.64 C ATOM 192 N7 DG C 10 28.765 32.895 48.099 1.00 33.65 N ATOM 193 C5 DG C 10 29.150 31.613 47.707 1.00 33.54 C ATOM 194 C6 DG C 10 29.398 30.428 48.466 1.00 35.21 C ATOM 195 O6 DG C 10 29.353 30.254 49.709 1.00 34.57 O ATOM 196 N1 DG C 10 29.747 29.348 47.641 1.00 34.30 N ATOM 197 C2 DG C 10 29.860 29.402 46.277 1.00 33.43 C ATOM 198 N2 DG C 10 30.224 28.273 45.650 1.00 33.55 N ATOM 199 N3 DG C 10 29.640 30.502 45.571 1.00 34.01 N ATOM 200 C4 DG C 10 29.285 31.566 46.336 1.00 33.48 C ATOM 201 P DT C 11 27.364 34.163 40.667 1.00 39.29 P ATOM 202 OP1 DT C 11 27.868 34.224 39.283 1.00 37.73 O ATOM 203 OP2 DT C 11 26.270 35.056 41.121 1.00 39.76 O ATOM 204 O5' DT C 11 26.900 32.674 41.000 1.00 38.02 O ATOM 205 C5' DT C 11 27.613 31.540 40.505 1.00 36.47 C ATOM 206 C4' DT C 11 26.975 30.298 41.094 1.00 35.04 C ATOM 207 O4' DT C 11 27.210 30.283 42.521 1.00 34.54 O ATOM 208 C3' DT C 11 25.454 30.246 40.941 1.00 34.75 C ATOM 209 O3' DT C 11 25.044 28.938 40.645 1.00 33.82 O ATOM 210 C2' DT C 11 24.930 30.625 42.311 1.00 34.73 C ATOM 211 C1' DT C 11 25.995 29.904 43.121 1.00 33.78 C ATOM 212 N1 DT C 11 25.967 30.204 44.561 1.00 33.80 N ATOM 213 C2 DT C 11 26.371 29.207 45.437 1.00 33.15 C ATOM 214 O2 DT C 11 26.753 28.101 45.092 1.00 34.26 O ATOM 215 N3 DT C 11 26.311 29.547 46.756 1.00 30.38 N ATOM 216 C4 DT C 11 25.903 30.761 47.265 1.00 32.90 C ATOM 217 O4 DT C 11 25.882 30.961 48.471 1.00 35.17 O ATOM 218 C5 DT C 11 25.505 31.771 46.311 1.00 33.77 C ATOM 219 C7 DT C 11 25.046 33.118 46.793 1.00 33.70 C ATOM 220 C6 DT C 11 25.548 31.453 45.003 1.00 34.00 C ATOM 221 P DA C 12 24.572 28.645 39.168 1.00 33.14 P ATOM 222 OP1 DA C 12 25.678 29.009 38.256 1.00 34.58 O ATOM 223 OP2 DA C 12 23.226 29.234 39.035 1.00 34.50 O ATOM 224 O5' DA C 12 24.372 27.053 39.166 1.00 33.97 O ATOM 225 C5' DA C 12 25.462 26.163 39.403 1.00 32.80 C ATOM 226 C4' DA C 12 25.041 25.021 40.316 1.00 31.05 C ATOM 227 O4' DA C 12 25.021 25.468 41.697 1.00 28.41 O ATOM 228 C3' DA C 12 23.675 24.411 40.052 1.00 30.59 C ATOM 229 O3' DA C 12 23.851 23.003 40.097 1.00 32.24 O ATOM 230 C2' DA C 12 22.785 24.955 41.179 1.00 27.98 C ATOM 231 C1' DA C 12 23.790 25.161 42.311 1.00 26.97 C ATOM 232 N9 DA C 12 23.519 26.265 43.228 1.00 26.99 N ATOM 233 C8 DA C 12 23.126 27.533 42.887 1.00 26.88 C ATOM 234 N7 DA C 12 22.981 28.349 43.902 1.00 26.66 N ATOM 235 C5 DA C 12 23.311 27.564 44.994 1.00 26.99 C ATOM 236 C6 DA C 12 23.356 27.846 46.376 1.00 26.37 C ATOM 237 N6 DA C 12 23.046 29.043 46.888 1.00 26.21 N ATOM 238 N1 DA C 12 23.726 26.840 47.204 1.00 26.70 N ATOM 239 C2 DA C 12 24.030 25.634 46.684 1.00 26.53 C ATOM 240 N3 DA C 12 24.038 25.256 45.408 1.00 26.54 N ATOM 241 C4 DA C 12 23.661 26.275 44.601 1.00 27.11 C ATOM 242 P DA C 13 22.729 21.960 39.668 1.00 33.85 P ATOM 243 OP1 DA C 13 23.496 20.841 39.072 1.00 36.66 O ATOM 244 OP2 DA C 13 21.668 22.600 38.855 1.00 34.10 O ATOM 245 O5' DA C 13 22.072 21.510 41.067 1.00 32.53 O ATOM 246 C5' DA C 13 22.939 21.177 42.146 1.00 32.43 C ATOM 247 C4' DA C 13 22.213 21.034 43.468 1.00 32.06 C ATOM 248 O4' DA C 13 22.195 22.320 44.134 1.00 31.25 O ATOM 249 C3' DA C 13 20.774 20.539 43.383 1.00 33.26 C ATOM 250 O3' DA C 13 20.657 19.374 44.210 1.00 35.00 O ATOM 251 C2' DA C 13 19.955 21.726 43.870 1.00 31.36 C ATOM 252 C1' DA C 13 20.938 22.479 44.745 1.00 29.08 C ATOM 253 N9 DA C 13 20.619 23.904 44.841 1.00 28.64 N ATOM 254 C8 DA C 13 20.303 24.770 43.822 1.00 27.16 C ATOM 255 N7 DA C 13 20.059 25.994 44.236 1.00 26.28 N ATOM 256 C5 DA C 13 20.212 25.927 45.604 1.00 26.27 C ATOM 257 C6 DA C 13 20.093 26.885 46.630 1.00 27.43 C ATOM 258 N6 DA C 13 19.773 28.167 46.416 1.00 27.29 N ATOM 259 N1 DA C 13 20.352 26.479 47.902 1.00 27.84 N ATOM 260 C2 DA C 13 20.672 25.199 48.138 1.00 27.52 C ATOM 261 N3 DA C 13 20.812 24.212 47.254 1.00 28.05 N ATOM 262 C4 DA C 13 20.563 24.643 45.998 1.00 27.75 C ATOM 263 P DT C 14 19.293 18.668 44.632 1.00 36.76 P ATOM 264 OP1 DT C 14 19.633 17.233 44.780 1.00 39.07 O ATOM 265 OP2 DT C 14 18.130 19.035 43.794 1.00 37.12 O ATOM 266 O5' DT C 14 19.024 19.290 46.075 1.00 36.69 O ATOM 267 C5' DT C 14 19.974 19.119 47.122 1.00 35.93 C ATOM 268 C4' DT C 14 19.385 19.575 48.448 1.00 35.68 C ATOM 269 O4' DT C 14 19.295 21.020 48.472 1.00 33.84 O ATOM 270 C3' DT C 14 17.992 19.049 48.759 1.00 36.41 C ATOM 271 O3' DT C 14 17.995 18.566 50.087 1.00 39.39 O ATOM 272 C2' DT C 14 17.090 20.266 48.632 1.00 35.62 C ATOM 273 C1' DT C 14 18.047 21.400 48.976 1.00 33.72 C ATOM 274 N1 DT C 14 17.686 22.697 48.326 1.00 33.40 N ATOM 275 C2 DT C 14 17.515 23.818 49.125 1.00 32.87 C ATOM 276 O2 DT C 14 17.656 23.810 50.344 1.00 33.00 O ATOM 277 N3 DT C 14 17.189 24.964 48.441 1.00 31.97 N ATOM 278 C4 DT C 14 16.994 25.097 47.081 1.00 32.50 C ATOM 279 O4 DT C 14 16.704 26.164 46.543 1.00 32.35 O ATOM 280 C5 DT C 14 17.207 23.889 46.330 1.00 33.07 C ATOM 281 C6 DT C 14 17.503 22.746 46.955 1.00 32.90 C ATOM 282 P DC C 15 16.781 17.720 50.704 1.00 40.81 P ATOM 283 OP1 DC C 15 17.485 16.713 51.537 1.00 40.37 O ATOM 284 OP2 DC C 15 15.794 17.325 49.667 1.00 38.76 O ATOM 285 O5' DC C 15 16.020 18.779 51.635 1.00 39.41 O ATOM 286 C5' DC C 15 16.733 19.443 52.685 1.00 38.54 C ATOM 287 C4' DC C 15 15.850 20.505 53.309 1.00 38.35 C ATOM 288 O4' DC C 15 15.824 21.656 52.438 1.00 36.67 O ATOM 289 C3' DC C 15 14.397 20.079 53.502 1.00 39.03 C ATOM 290 O3' DC C 15 13.978 20.366 54.820 1.00 41.58 O ATOM 291 C2' DC C 15 13.610 20.914 52.507 1.00 37.65 C ATOM 292 C1' DC C 15 14.506 22.137 52.352 1.00 35.45 C ATOM 293 N1 DC C 15 14.302 22.857 51.049 1.00 33.99 N ATOM 294 C2 DC C 15 14.086 24.243 51.052 1.00 32.81 C ATOM 295 O2 DC C 15 14.069 24.854 52.123 1.00 32.12 O ATOM 296 N3 DC C 15 13.881 24.876 49.868 1.00 31.68 N ATOM 297 C4 DC C 15 13.895 24.193 48.727 1.00 32.65 C ATOM 298 N4 DC C 15 13.692 24.879 47.601 1.00 33.01 N ATOM 299 C5 DC C 15 14.105 22.774 48.695 1.00 33.43 C ATOM 300 C6 DC C 15 14.304 22.156 49.869 1.00 33.82 C ATOM 301 P DC C 16 12.720 19.638 55.498 1.00 42.43 P ATOM 302 OP1 DC C 16 13.225 19.287 56.849 1.00 43.04 O ATOM 303 OP2 DC C 16 12.064 18.663 54.581 1.00 42.07 O ATOM 304 O5' DC C 16 11.620 20.791 55.621 1.00 42.69 O ATOM 305 C5' DC C 16 11.858 21.994 56.348 1.00 40.85 C ATOM 306 C4' DC C 16 10.941 23.049 55.766 1.00 40.34 C ATOM 307 O4' DC C 16 11.381 23.352 54.422 1.00 39.36 O ATOM 308 C3' DC C 16 9.487 22.595 55.638 1.00 39.09 C ATOM 309 O3' DC C 16 8.635 23.351 56.500 1.00 40.46 O ATOM 310 C2' DC C 16 9.128 22.858 54.188 1.00 38.52 C ATOM 311 C1' DC C 16 10.231 23.801 53.740 1.00 36.90 C ATOM 312 N1 DC C 16 10.397 23.811 52.263 1.00 34.91 N ATOM 313 C2 DC C 16 10.305 25.031 51.575 1.00 35.48 C ATOM 314 O2 DC C 16 10.103 26.079 52.212 1.00 35.62 O ATOM 315 N3 DC C 16 10.437 25.043 50.221 1.00 32.54 N ATOM 316 C4 DC C 16 10.637 23.912 49.558 1.00 34.06 C ATOM 317 N4 DC C 16 10.763 23.990 48.229 1.00 33.36 N ATOM 318 C5 DC C 16 10.728 22.655 50.236 1.00 35.11 C ATOM 319 C6 DC C 16 10.600 22.644 51.575 1.00 35.43 C ATOM 320 P DC C 17 7.056 23.076 56.650 1.00 38.55 P ATOM 321 OP1 DC C 17 6.951 22.786 58.083 1.00 40.27 O ATOM 322 OP2 DC C 17 6.511 22.164 55.606 1.00 37.10 O ATOM 323 O5' DC C 17 6.328 24.450 56.291 1.00 37.70 O ATOM 324 C5' DC C 17 6.678 25.682 56.888 1.00 34.42 C ATOM 325 C4' DC C 17 6.253 26.728 55.886 1.00 33.56 C ATOM 326 O4' DC C 17 7.088 26.587 54.714 1.00 35.14 O ATOM 327 C3' DC C 17 4.875 26.535 55.298 1.00 32.93 C ATOM 328 O3' DC C 17 3.841 26.934 56.216 1.00 28.73 O ATOM 329 C2' DC C 17 4.996 27.437 54.065 1.00 32.65 C ATOM 330 C1' DC C 17 6.390 27.081 53.585 1.00 33.48 C ATOM 331 N1 DC C 17 6.558 26.115 52.407 1.00 32.40 N ATOM 332 C2 DC C 17 6.542 26.673 51.141 1.00 32.35 C ATOM 333 O2 DC C 17 6.357 27.892 51.074 1.00 33.55 O ATOM 334 N3 DC C 17 6.710 25.874 50.042 1.00 32.70 N ATOM 335 C4 DC C 17 6.906 24.559 50.207 1.00 32.97 C ATOM 336 N4 DC C 17 7.070 23.821 49.098 1.00 33.36 N ATOM 337 C5 DC C 17 6.914 23.948 51.510 1.00 32.43 C ATOM 338 C6 DC C 17 6.737 24.761 52.568 1.00 32.17 C ATOM 339 P DC C 18 2.290 26.616 55.998 1.00 28.51 P ATOM 340 OP1 DC C 18 1.618 27.279 57.142 1.00 28.74 O ATOM 341 OP2 DC C 18 2.057 25.166 55.797 1.00 28.51 O ATOM 342 O5' DC C 18 1.829 27.290 54.667 1.00 27.42 O ATOM 343 C5' DC C 18 1.507 28.654 54.637 1.00 28.90 C ATOM 344 C4' DC C 18 1.412 29.086 53.185 1.00 26.83 C ATOM 345 O4' DC C 18 2.544 28.601 52.427 1.00 27.68 O ATOM 346 C3' DC C 18 0.245 28.454 52.472 1.00 27.94 C ATOM 347 O3' DC C 18 -0.887 29.179 52.886 1.00 30.79 O ATOM 348 C2' DC C 18 0.637 28.679 51.016 1.00 27.82 C ATOM 349 C1' DC C 18 2.131 28.453 51.061 1.00 28.30 C ATOM 350 N1 DC C 18 2.581 27.129 50.544 1.00 27.85 N ATOM 351 C2 DC C 18 2.860 26.981 49.179 1.00 26.84 C ATOM 352 O2 DC C 18 2.693 27.935 48.424 1.00 28.53 O ATOM 353 N3 DC C 18 3.315 25.797 48.728 1.00 25.58 N ATOM 354 C4 DC C 18 3.501 24.783 49.573 1.00 28.79 C ATOM 355 N4 DC C 18 3.936 23.617 49.068 1.00 29.59 N ATOM 356 C5 DC C 18 3.236 24.902 50.974 1.00 28.35 C ATOM 357 C6 DC C 18 2.790 26.086 51.406 1.00 28.29 C ATOM 358 P DG C 19 -2.345 28.650 52.630 1.00 35.18 P ATOM 359 OP1 DG C 19 -3.329 29.576 53.249 1.00 37.01 O ATOM 360 OP2 DG C 19 -2.353 27.202 52.995 1.00 37.38 O ATOM 361 O5' DG C 19 -2.493 28.815 51.058 1.00 34.11 O ATOM 362 C5' DG C 19 -2.281 30.082 50.405 1.00 34.86 C ATOM 363 C4' DG C 19 -2.563 30.011 48.902 1.00 35.73 C ATOM 364 O4' DG C 19 -1.646 29.126 48.199 1.00 37.09 O ATOM 365 C3' DG C 19 -3.925 29.506 48.509 1.00 36.52 C ATOM 366 O3' DG C 19 -4.269 30.077 47.236 1.00 41.70 O ATOM 367 C2' DG C 19 -3.689 28.005 48.356 1.00 35.00 C ATOM 368 C1' DG C 19 -2.296 27.961 47.735 1.00 33.14 C ATOM 369 N9 DG C 19 -1.559 26.758 48.123 1.00 33.64 N ATOM 370 C8 DG C 19 -1.512 26.200 49.386 1.00 32.50 C ATOM 371 N7 DG C 19 -0.777 25.124 49.452 1.00 32.57 N ATOM 372 C5 DG C 19 -0.329 24.938 48.147 1.00 32.25 C ATOM 373 C6 DG C 19 0.502 23.928 47.604 1.00 32.87 C ATOM 374 O6 DG C 19 1.008 22.966 48.186 1.00 32.94 O ATOM 375 N1 DG C 19 0.737 24.103 46.243 1.00 31.69 N ATOM 376 C2 DG C 19 0.253 25.135 45.503 1.00 31.27 C ATOM 377 N2 DG C 19 0.590 25.131 44.210 1.00 32.79 N ATOM 378 N3 DG C 19 -0.518 26.093 45.991 1.00 32.73 N ATOM 379 C4 DG C 19 -0.789 25.931 47.318 1.00 33.22 C ATOM 380 P DG C 20 -5.782 29.996 46.711 1.00 45.34 P ATOM 381 OP1 DG C 20 -6.053 31.333 46.124 1.00 48.18 O ATOM 382 OP2 DG C 20 -6.597 29.457 47.798 1.00 45.52 O ATOM 383 O5' DG C 20 -5.837 28.908 45.508 1.00 46.59 O ATOM 384 C5' DG C 20 -4.969 29.015 44.385 1.00 43.68 C ATOM 385 C4' DG C 20 -4.825 27.697 43.643 1.00 43.02 C ATOM 386 O4' DG C 20 -3.938 26.756 44.294 1.00 42.90 O ATOM 387 C3' DG C 20 -6.133 26.959 43.401 1.00 43.53 C ATOM 388 O3' DG C 20 -6.218 26.865 41.985 1.00 45.11 O ATOM 389 C2' DG C 20 -5.945 25.617 44.105 1.00 41.03 C ATOM 390 C1' DG C 20 -4.432 25.444 44.119 1.00 37.84 C ATOM 391 N9 DG C 20 -3.907 24.559 45.176 1.00 37.08 N ATOM 392 C8 DG C 20 -4.193 24.630 46.522 1.00 35.93 C ATOM 393 N7 DG C 20 -3.585 23.721 47.239 1.00 35.56 N ATOM 394 C5 DG C 20 -2.854 22.979 46.313 1.00 36.23 C ATOM 395 C6 DG C 20 -1.992 21.863 46.497 1.00 35.51 C ATOM 396 O6 DG C 20 -1.710 21.272 47.527 1.00 35.95 O ATOM 397 N1 DG C 20 -1.428 21.405 45.308 1.00 37.02 N ATOM 398 C2 DG C 20 -1.667 21.970 44.075 1.00 36.37 C ATOM 399 N2 DG C 20 -1.039 21.388 43.046 1.00 35.84 N ATOM 400 N3 DG C 20 -2.467 23.022 43.884 1.00 36.52 N ATOM 401 C4 DG C 20 -3.033 23.485 45.036 1.00 35.32 C ATOM 402 P DA C 21 -7.546 26.412 41.226 1.00 49.06 P ATOM 403 OP1 DA C 21 -7.529 27.233 39.990 1.00 46.86 O ATOM 404 OP2 DA C 21 -8.721 26.360 42.134 1.00 46.62 O ATOM 405 O5' DA C 21 -7.220 24.881 40.888 1.00 47.46 O ATOM 406 C5' DA C 21 -6.192 24.501 39.968 1.00 45.72 C ATOM 407 C4' DA C 21 -5.999 23.000 40.089 1.00 43.00 C ATOM 408 O4' DA C 21 -5.400 22.733 41.383 1.00 40.82 O ATOM 409 C3' DA C 21 -7.306 22.200 40.046 1.00 42.43 C ATOM 410 O3' DA C 21 -7.288 21.249 38.968 1.00 44.44 O ATOM 411 C2' DA C 21 -7.359 21.520 41.408 1.00 39.86 C ATOM 412 C1' DA C 21 -5.896 21.505 41.834 1.00 36.32 C ATOM 413 N9 DA C 21 -5.789 21.336 43.284 1.00 35.90 N ATOM 414 C8 DA C 21 -6.501 21.997 44.251 1.00 35.51 C ATOM 415 N7 DA C 21 -6.246 21.617 45.480 1.00 33.72 N ATOM 416 C5 DA C 21 -5.279 20.633 45.303 1.00 35.62 C ATOM 417 C6 DA C 21 -4.581 19.805 46.222 1.00 33.51 C ATOM 418 N6 DA C 21 -4.773 19.880 47.536 1.00 33.68 N ATOM 419 N1 DA C 21 -3.691 18.911 45.727 1.00 33.93 N ATOM 420 C2 DA C 21 -3.503 18.845 44.397 1.00 35.45 C ATOM 421 N3 DA C 21 -4.113 19.552 43.429 1.00 34.64 N ATOM 422 C4 DA C 21 -5.000 20.431 43.954 1.00 34.38 C TER 423 DA C 21 ATOM 424 O5' DA D 22 -1.720 13.186 54.673 1.00 27.89 O ATOM 425 C5' DA D 22 -1.654 11.774 54.416 1.00 26.63 C ATOM 426 C4' DA D 22 -2.042 11.476 52.973 1.00 28.24 C ATOM 427 O4' DA D 22 -3.385 11.933 52.713 1.00 25.85 O ATOM 428 C3' DA D 22 -1.214 12.209 51.922 1.00 29.00 C ATOM 429 O3' DA D 22 -0.021 11.505 51.680 1.00 28.72 O ATOM 430 C2' DA D 22 -2.129 12.179 50.704 1.00 27.69 C ATOM 431 C1' DA D 22 -3.480 12.351 51.351 1.00 27.65 C ATOM 432 N9 DA D 22 -4.081 13.683 51.208 1.00 27.74 N ATOM 433 C8 DA D 22 -4.332 14.585 52.205 1.00 27.74 C ATOM 434 N7 DA D 22 -4.908 15.695 51.799 1.00 28.41 N ATOM 435 C5 DA D 22 -5.072 15.511 50.434 1.00 27.95 C ATOM 436 C6 DA D 22 -5.636 16.316 49.417 1.00 27.92 C ATOM 437 N6 DA D 22 -6.157 17.525 49.637 1.00 26.55 N ATOM 438 N1 DA D 22 -5.631 15.835 48.148 1.00 28.12 N ATOM 439 C2 DA D 22 -5.116 14.617 47.917 1.00 27.56 C ATOM 440 N3 DA D 22 -4.572 13.773 48.788 1.00 27.73 N ATOM 441 C4 DA D 22 -4.569 14.276 50.045 1.00 28.85 C ATOM 442 P DT D 23 1.200 12.193 50.937 1.00 32.80 P ATOM 443 OP1 DT D 23 2.334 11.243 51.007 1.00 31.36 O ATOM 444 OP2 DT D 23 1.368 13.555 51.500 1.00 32.02 O ATOM 445 O5' DT D 23 0.656 12.348 49.436 1.00 33.36 O ATOM 446 C5' DT D 23 0.371 11.232 48.592 1.00 35.88 C ATOM 447 C4' DT D 23 0.163 11.696 47.164 1.00 37.24 C ATOM 448 O4' DT D 23 -1.017 12.531 47.069 1.00 37.04 O ATOM 449 C3' DT D 23 1.336 12.512 46.648 1.00 39.06 C ATOM 450 O3' DT D 23 1.928 11.881 45.546 1.00 42.29 O ATOM 451 C2' DT D 23 0.767 13.844 46.199 1.00 38.40 C ATOM 452 C1' DT D 23 -0.730 13.723 46.369 1.00 37.00 C ATOM 453 N1 DT D 23 -1.269 14.910 47.107 1.00 36.72 N ATOM 454 C2 DT D 23 -1.987 15.836 46.373 1.00 36.71 C ATOM 455 O2 DT D 23 -2.211 15.738 45.177 1.00 36.26 O ATOM 456 N3 DT D 23 -2.453 16.896 47.110 1.00 37.18 N ATOM 457 C4 DT D 23 -2.276 17.121 48.464 1.00 35.92 C ATOM 458 O4 DT D 23 -2.768 18.110 48.977 1.00 36.72 O ATOM 459 C5 DT D 23 -1.509 16.119 49.179 1.00 35.48 C ATOM 460 C7 DT D 23 -1.235 16.236 50.653 1.00 35.74 C ATOM 461 C6 DT D 23 -1.047 15.072 48.466 1.00 35.19 C ATOM 462 P DC D 24 3.427 12.264 45.162 1.00 45.40 P ATOM 463 OP1 DC D 24 4.003 10.999 44.659 1.00 45.12 O ATOM 464 OP2 DC D 24 4.074 13.017 46.275 1.00 44.94 O ATOM 465 O5' DC D 24 3.253 13.326 43.969 1.00 45.11 O ATOM 466 C5' DC D 24 2.128 13.304 43.058 1.00 44.52 C ATOM 467 C4' DC D 24 2.030 14.658 42.374 1.00 43.72 C ATOM 468 O4' DC D 24 1.078 15.533 43.055 1.00 41.28 O ATOM 469 C3' DC D 24 3.377 15.378 42.354 1.00 44.30 C ATOM 470 O3' DC D 24 3.611 15.921 41.080 1.00 47.79 O ATOM 471 C2' DC D 24 3.219 16.477 43.392 1.00 42.39 C ATOM 472 C1' DC D 24 1.724 16.765 43.314 1.00 38.58 C ATOM 473 N1 DC D 24 1.259 17.396 44.576 1.00 36.62 N ATOM 474 C2 DC D 24 0.366 18.473 44.524 1.00 35.48 C ATOM 475 O2 DC D 24 -0.044 18.848 43.411 1.00 35.34 O ATOM 476 N3 DC D 24 -0.031 19.042 45.697 1.00 33.61 N ATOM 477 C4 DC D 24 0.452 18.593 46.867 1.00 35.31 C ATOM 478 N4 DC D 24 0.058 19.170 48.010 1.00 35.18 N ATOM 479 C5 DC D 24 1.373 17.514 46.932 1.00 35.86 C ATOM 480 C6 DC D 24 1.752 16.955 45.774 1.00 36.60 C ATOM 481 P DC D 25 5.015 16.579 40.652 1.00 50.20 P ATOM 482 OP1 DC D 25 5.375 15.759 39.463 1.00 50.79 O ATOM 483 OP2 DC D 25 5.986 16.787 41.761 1.00 47.90 O ATOM 484 O5' DC D 25 4.545 18.044 40.216 1.00 49.04 O ATOM 485 C5' DC D 25 3.265 18.242 39.567 1.00 48.46 C ATOM 486 C4' DC D 25 2.966 19.731 39.552 1.00 48.40 C ATOM 487 O4' DC D 25 2.339 20.099 40.803 1.00 47.44 O ATOM 488 C3' DC D 25 4.225 20.585 39.436 1.00 48.44 C ATOM 489 O3' DC D 25 4.119 21.568 38.399 1.00 50.85 O ATOM 490 C2' DC D 25 4.387 21.231 40.803 1.00 46.81 C ATOM 491 C1' DC D 25 2.952 21.260 41.303 1.00 44.89 C ATOM 492 N1 DC D 25 2.879 21.236 42.779 1.00 43.24 N ATOM 493 C2 DC D 25 2.115 22.197 43.457 1.00 42.29 C ATOM 494 O2 DC D 25 1.490 23.057 42.827 1.00 41.36 O ATOM 495 N3 DC D 25 2.085 22.151 44.814 1.00 42.01 N ATOM 496 C4 DC D 25 2.776 21.218 45.472 1.00 42.30 C ATOM 497 N4 DC D 25 2.698 21.222 46.795 1.00 43.00 N ATOM 498 C5 DC D 25 3.569 20.236 44.806 1.00 42.68 C ATOM 499 C6 DC D 25 3.592 20.285 43.468 1.00 42.70 C ATOM 500 P DG D 26 5.437 22.315 37.865 1.00 51.95 P ATOM 501 OP1 DG D 26 5.393 22.101 36.393 1.00 53.29 O ATOM 502 OP2 DG D 26 6.633 21.955 38.691 1.00 50.55 O ATOM 503 O5' DG D 26 5.208 23.872 38.168 1.00 49.87 O ATOM 504 C5' DG D 26 3.937 24.531 38.218 1.00 47.52 C ATOM 505 C4' DG D 26 4.149 25.804 39.018 1.00 44.96 C ATOM 506 O4' DG D 26 3.868 25.510 40.416 1.00 45.26 O ATOM 507 C3' DG D 26 5.598 26.298 38.924 1.00 45.15 C ATOM 508 O3' DG D 26 5.701 27.715 38.611 1.00 45.10 O ATOM 509 C2' DG D 26 6.216 25.912 40.262 1.00 43.54 C ATOM 510 C1' DG D 26 5.002 25.859 41.196 1.00 41.35 C ATOM 511 N9 DG D 26 5.180 24.979 42.361 1.00 40.46 N ATOM 512 C8 DG D 26 5.886 23.799 42.457 1.00 39.68 C ATOM 513 N7 DG D 26 5.859 23.258 43.647 1.00 39.67 N ATOM 514 C5 DG D 26 5.095 24.152 44.403 1.00 40.11 C ATOM 515 C6 DG D 26 4.714 24.132 45.775 1.00 40.15 C ATOM 516 O6 DG D 26 5.012 23.270 46.623 1.00 39.94 O ATOM 517 N1 DG D 26 3.938 25.247 46.132 1.00 38.79 N ATOM 518 C2 DG D 26 3.583 26.258 45.277 1.00 39.45 C ATOM 519 N2 DG D 26 2.846 27.275 45.746 1.00 39.31 N ATOM 520 N3 DG D 26 3.926 26.277 43.998 1.00 41.10 N ATOM 521 C4 DG D 26 4.684 25.212 43.628 1.00 40.88 C ATOM 522 P DG D 27 7.094 28.489 38.346 1.00 45.88 P ATOM 523 OP1 DG D 27 6.960 28.963 36.938 1.00 47.26 O ATOM 524 OP2 DG D 27 8.323 27.797 38.815 1.00 41.83 O ATOM 525 O5' DG D 27 6.973 29.758 39.301 1.00 42.57 O ATOM 526 C5' DG D 27 7.303 29.598 40.606 1.00 38.66 C ATOM 527 C4' DG D 27 6.537 30.600 41.414 1.00 36.54 C ATOM 528 O4' DG D 27 5.515 29.878 42.133 1.00 35.37 O ATOM 529 C3' DG D 27 7.472 31.218 42.441 1.00 34.27 C ATOM 530 O3' DG D 27 7.897 32.533 42.016 1.00 29.80 O ATOM 531 C2' DG D 27 6.645 31.194 43.724 1.00 34.83 C ATOM 532 C1' DG D 27 5.778 29.965 43.529 1.00 36.87 C ATOM 533 N9 DG D 27 6.370 28.742 44.088 1.00 36.36 N ATOM 534 C8 DG D 27 7.016 27.720 43.430 1.00 36.62 C ATOM 535 N7 DG D 27 7.431 26.769 44.223 1.00 38.10 N ATOM 536 C5 DG D 27 7.018 27.175 45.494 1.00 36.79 C ATOM 537 C6 DG D 27 7.174 26.549 46.745 1.00 36.85 C ATOM 538 O6 DG D 27 7.741 25.471 47.000 1.00 37.25 O ATOM 539 N1 DG D 27 6.621 27.313 47.781 1.00 37.80 N ATOM 540 C2 DG D 27 5.984 28.533 47.618 1.00 38.10 C ATOM 541 N2 DG D 27 5.522 29.132 48.737 1.00 36.88 N ATOM 542 N3 DG D 27 5.823 29.117 46.433 1.00 36.25 N ATOM 543 C4 DG D 27 6.371 28.393 45.427 1.00 36.56 C ATOM 544 P DG D 28 9.296 33.111 42.493 1.00 33.46 P ATOM 545 OP1 DG D 28 9.430 34.467 41.915 1.00 35.34 O ATOM 546 OP2 DG D 28 10.394 32.141 42.301 1.00 31.71 O ATOM 547 O5' DG D 28 9.072 33.264 44.076 1.00 34.18 O ATOM 548 C5' DG D 28 8.037 34.085 44.657 1.00 34.27 C ATOM 549 C4' DG D 28 8.119 33.939 46.163 1.00 34.94 C ATOM 550 O4' DG D 28 7.857 32.573 46.545 1.00 35.29 O ATOM 551 C3' DG D 28 9.529 34.222 46.617 1.00 35.69 C ATOM 552 O3' DG D 28 9.566 35.456 47.294 1.00 37.87 O ATOM 553 C2' DG D 28 9.929 33.083 47.533 1.00 35.42 C ATOM 554 C1' DG D 28 8.773 32.119 47.509 1.00 32.00 C ATOM 555 N9 DG D 28 9.246 30.779 47.159 1.00 32.18 N ATOM 556 C8 DG D 28 9.587 30.320 45.898 1.00 31.35 C ATOM 557 N7 DG D 28 9.969 29.078 45.866 1.00 30.53 N ATOM 558 C5 DG D 28 9.880 28.683 47.204 1.00 32.16 C ATOM 559 C6 DG D 28 10.170 27.436 47.808 1.00 30.93 C ATOM 560 O6 DG D 28 10.577 26.412 47.260 1.00 30.82 O ATOM 561 N1 DG D 28 9.955 27.446 49.188 1.00 30.76 N ATOM 562 C2 DG D 28 9.519 28.528 49.909 1.00 31.00 C ATOM 563 N2 DG D 28 9.394 28.346 51.235 1.00 31.58 N ATOM 564 N3 DG D 28 9.246 29.709 49.362 1.00 30.69 N ATOM 565 C4 DG D 28 9.450 29.720 48.016 1.00 31.29 C ATOM 566 P DG D 29 10.971 36.000 47.794 1.00 40.29 P ATOM 567 OP1 DG D 29 10.752 37.449 48.013 1.00 39.63 O ATOM 568 OP2 DG D 29 12.067 35.556 46.888 1.00 39.06 O ATOM 569 O5' DG D 29 11.217 35.198 49.167 1.00 39.46 O ATOM 570 C5' DG D 29 10.551 35.436 50.407 1.00 37.24 C ATOM 571 C4' DG D 29 11.241 34.657 51.518 1.00 34.04 C ATOM 572 O4' DG D 29 11.181 33.232 51.256 1.00 33.41 O ATOM 573 C3' DG D 29 12.712 34.984 51.771 1.00 35.75 C ATOM 574 O3' DG D 29 12.835 35.275 53.165 1.00 36.43 O ATOM 575 C2' DG D 29 13.487 33.725 51.367 1.00 34.14 C ATOM 576 C1' DG D 29 12.446 32.608 51.386 1.00 31.50 C ATOM 577 N9 DG D 29 12.653 31.610 50.320 1.00 30.75 N ATOM 578 C8 DG D 29 12.696 31.861 48.963 1.00 31.00 C ATOM 579 N7 DG D 29 12.898 30.805 48.222 1.00 29.79 N ATOM 580 C5 DG D 29 13.008 29.777 49.140 1.00 29.87 C ATOM 581 C6 DG D 29 13.237 28.393 48.915 1.00 31.03 C ATOM 582 O6 DG D 29 13.386 27.794 47.828 1.00 31.22 O ATOM 583 N1 DG D 29 13.271 27.688 50.108 1.00 29.99 N ATOM 584 C2 DG D 29 13.119 28.234 51.365 1.00 30.27 C ATOM 585 N2 DG D 29 13.183 27.380 52.409 1.00 29.65 N ATOM 586 N3 DG D 29 12.904 29.525 51.584 1.00 29.79 N ATOM 587 C4 DG D 29 12.853 30.246 50.432 1.00 29.84 C ATOM 588 P DA D 30 14.197 35.579 53.920 1.00 38.98 P ATOM 589 OP1 DA D 30 13.737 36.308 55.129 1.00 42.40 O ATOM 590 OP2 DA D 30 15.233 36.160 53.043 1.00 38.59 O ATOM 591 O5' DA D 30 14.755 34.150 54.375 1.00 38.02 O ATOM 592 C5' DA D 30 13.900 33.119 54.904 1.00 36.49 C ATOM 593 C4' DA D 30 14.745 31.876 55.091 1.00 35.75 C ATOM 594 O4' DA D 30 14.800 31.112 53.856 1.00 33.11 O ATOM 595 C3' DA D 30 16.191 32.197 55.461 1.00 35.90 C ATOM 596 O3' DA D 30 16.471 31.689 56.776 1.00 40.12 O ATOM 597 C2' DA D 30 17.038 31.601 54.330 1.00 34.39 C ATOM 598 C1' DA D 30 16.111 30.585 53.685 1.00 31.38 C ATOM 599 N9 DA D 30 16.311 30.372 52.244 1.00 30.39 N ATOM 600 C8 DA D 30 16.397 31.348 51.292 1.00 29.83 C ATOM 601 N7 DA D 30 16.556 30.877 50.082 1.00 29.67 N ATOM 602 C5 DA D 30 16.569 29.499 50.233 1.00 28.31 C ATOM 603 C6 DA D 30 16.701 28.427 49.305 1.00 29.56 C ATOM 604 N6 DA D 30 16.854 28.596 47.984 1.00 28.92 N ATOM 605 N1 DA D 30 16.670 27.163 49.785 1.00 28.76 N ATOM 606 C2 DA D 30 16.517 26.989 51.107 1.00 30.18 C ATOM 607 N3 DA D 30 16.378 27.917 52.063 1.00 29.08 N ATOM 608 C4 DA D 30 16.408 29.168 51.561 1.00 28.43 C ATOM 609 P DT D 31 17.961 31.488 57.351 1.00 43.00 P ATOM 610 OP1 DT D 31 17.959 31.519 58.840 1.00 44.10 O ATOM 611 OP2 DT D 31 18.889 32.390 56.612 1.00 42.75 O ATOM 612 O5' DT D 31 18.195 29.965 56.938 1.00 41.25 O ATOM 613 C5' DT D 31 19.177 29.733 55.981 1.00 41.71 C ATOM 614 C4' DT D 31 19.222 28.272 55.641 1.00 41.09 C ATOM 615 O4' DT D 31 18.750 28.068 54.288 1.00 39.79 O ATOM 616 C3' DT D 31 20.655 27.791 55.724 1.00 42.11 C ATOM 617 O3' DT D 31 20.695 26.604 56.460 1.00 44.71 O ATOM 618 C2' DT D 31 21.085 27.581 54.288 1.00 40.37 C ATOM 619 C1' DT D 31 19.783 27.519 53.502 1.00 37.13 C ATOM 620 N1 DT D 31 19.863 28.217 52.188 1.00 35.86 N ATOM 621 C2 DT D 31 19.959 27.414 51.079 1.00 35.41 C ATOM 622 O2 DT D 31 19.975 26.192 51.162 1.00 35.74 O ATOM 623 N3 DT D 31 20.022 28.097 49.882 1.00 32.97 N ATOM 624 C4 DT D 31 20.010 29.472 49.702 1.00 34.65 C ATOM 625 O4 DT D 31 20.078 29.978 48.586 1.00 36.23 O ATOM 626 C5 DT D 31 19.914 30.259 50.909 1.00 34.86 C ATOM 627 C7 DT D 31 19.891 31.759 50.835 1.00 35.28 C ATOM 628 C6 DT D 31 19.840 29.603 52.082 1.00 34.75 C ATOM 629 P DT D 32 22.068 26.157 57.135 1.00 46.07 P ATOM 630 OP1 DT D 32 21.641 25.438 58.359 1.00 46.67 O ATOM 631 OP2 DT D 32 23.035 27.283 57.175 1.00 45.71 O ATOM 632 O5' DT D 32 22.663 25.096 56.090 1.00 45.93 O ATOM 633 C5' DT D 32 21.799 24.090 55.522 1.00 44.68 C ATOM 634 C4' DT D 32 22.508 23.338 54.411 1.00 43.13 C ATOM 635 O4' DT D 32 22.416 24.062 53.157 1.00 41.41 O ATOM 636 C3' DT D 32 23.996 23.114 54.649 1.00 42.65 C ATOM 637 O3' DT D 32 24.292 21.788 54.237 1.00 45.26 O ATOM 638 C2' DT D 32 24.672 24.183 53.790 1.00 40.84 C ATOM 639 C1' DT D 32 23.711 24.268 52.610 1.00 38.49 C ATOM 640 N1 DT D 32 23.663 25.555 51.825 1.00 37.43 N ATOM 641 C2 DT D 32 23.521 25.467 50.454 1.00 38.13 C ATOM 642 O2 DT D 32 23.453 24.421 49.825 1.00 38.23 O ATOM 643 N3 DT D 32 23.460 26.674 49.810 1.00 38.04 N ATOM 644 C4 DT D 32 23.509 27.936 50.361 1.00 36.82 C ATOM 645 O4 DT D 32 23.436 28.930 49.649 1.00 36.46 O ATOM 646 C5 DT D 32 23.652 27.973 51.796 1.00 37.15 C ATOM 647 C7 DT D 32 23.724 29.295 52.516 1.00 37.15 C ATOM 648 C6 DT D 32 23.714 26.793 52.448 1.00 36.82 C ATOM 649 P DA D 33 25.660 21.049 54.624 1.00 47.23 P ATOM 650 OP1 DA D 33 25.293 19.723 55.169 1.00 46.28 O ATOM 651 OP2 DA D 33 26.561 21.996 55.342 1.00 46.93 O ATOM 652 O5' DA D 33 26.339 20.830 53.197 1.00 47.45 O ATOM 653 C5' DA D 33 25.524 20.622 52.040 1.00 47.16 C ATOM 654 C4' DA D 33 26.408 20.696 50.816 1.00 46.22 C ATOM 655 O4' DA D 33 26.330 22.027 50.250 1.00 45.42 O ATOM 656 C3' DA D 33 27.876 20.433 51.112 1.00 47.38 C ATOM 657 O3' DA D 33 28.368 19.536 50.131 1.00 50.31 O ATOM 658 C2' DA D 33 28.540 21.814 51.062 1.00 45.39 C ATOM 659 C1' DA D 33 27.616 22.607 50.146 1.00 42.80 C ATOM 660 N9 DA D 33 27.463 24.015 50.507 1.00 42.16 N ATOM 661 C8 DA D 33 27.473 24.546 51.769 1.00 41.38 C ATOM 662 N7 DA D 33 27.304 25.846 51.798 1.00 41.32 N ATOM 663 C5 DA D 33 27.163 26.191 50.463 1.00 41.08 C ATOM 664 C6 DA D 33 26.944 27.430 49.829 1.00 40.97 C ATOM 665 N6 DA D 33 26.834 28.577 50.506 1.00 40.95 N ATOM 666 N1 DA D 33 26.847 27.439 48.480 1.00 41.24 N ATOM 667 C2 DA D 33 26.958 26.276 47.814 1.00 41.47 C ATOM 668 N3 DA D 33 27.156 25.047 48.300 1.00 40.73 N ATOM 669 C4 DA D 33 27.257 25.075 49.646 1.00 41.26 C ATOM 670 P DC D 34 29.886 19.030 50.140 1.00 52.78 P ATOM 671 OP1 DC D 34 29.833 17.644 49.619 1.00 52.97 O ATOM 672 OP2 DC D 34 30.513 19.330 51.451 1.00 52.64 O ATOM 673 O5' DC D 34 30.610 19.975 49.071 1.00 53.24 O ATOM 674 C5' DC D 34 30.021 20.219 47.788 1.00 54.17 C ATOM 675 C4' DC D 34 30.670 21.422 47.128 1.00 54.32 C ATOM 676 O4' DC D 34 30.173 22.650 47.729 1.00 54.15 O ATOM 677 C3' DC D 34 32.193 21.481 47.266 1.00 54.84 C ATOM 678 O3' DC D 34 32.771 21.848 46.016 1.00 55.91 O ATOM 679 C2' DC D 34 32.410 22.567 48.317 1.00 54.35 C ATOM 680 C1' DC D 34 31.285 23.506 47.894 1.00 52.87 C ATOM 681 N1 DC D 34 30.993 24.680 48.799 1.00 52.23 N ATOM 682 C2 DC D 34 30.637 25.901 48.198 1.00 51.31 C ATOM 683 O2 DC D 34 30.560 25.972 46.962 1.00 50.67 O ATOM 684 N3 DC D 34 30.382 26.973 48.993 1.00 50.56 N ATOM 685 C4 DC D 34 30.473 26.860 50.322 1.00 51.27 C ATOM 686 N4 DC D 34 30.203 27.948 51.047 1.00 51.47 N ATOM 687 C5 DC D 34 30.841 25.632 50.961 1.00 51.13 C ATOM 688 C6 DC D 34 31.090 24.579 50.167 1.00 51.79 C ATOM 689 P DA D 35 33.823 20.875 45.301 1.00 57.01 P ATOM 690 OP1 DA D 35 33.104 19.607 45.031 1.00 56.67 O ATOM 691 OP2 DA D 35 35.068 20.887 46.108 1.00 56.43 O ATOM 692 O5' DA D 35 34.172 21.608 43.914 1.00 56.13 O ATOM 693 C5' DA D 35 33.172 22.327 43.169 1.00 54.82 C ATOM 694 C4' DA D 35 33.598 23.754 42.825 1.00 52.68 C ATOM 695 O4' DA D 35 33.219 24.683 43.882 1.00 50.48 O ATOM 696 C3' DA D 35 35.091 23.979 42.575 1.00 52.87 C ATOM 697 O3' DA D 35 35.235 24.780 41.408 1.00 54.91 O ATOM 698 C2' DA D 35 35.565 24.706 43.834 1.00 50.82 C ATOM 699 C1' DA D 35 34.323 25.523 44.180 1.00 48.19 C ATOM 700 N9 DA D 35 34.194 25.952 45.576 1.00 47.13 N ATOM 701 C8 DA D 35 34.374 25.193 46.702 1.00 46.51 C ATOM 702 N7 DA D 35 34.166 25.848 47.819 1.00 46.59 N ATOM 703 C5 DA D 35 33.821 27.121 47.400 1.00 45.95 C ATOM 704 C6 DA D 35 33.481 28.292 48.107 1.00 46.25 C ATOM 705 N6 DA D 35 33.433 28.357 49.444 1.00 45.57 N ATOM 706 N1 DA D 35 33.188 29.394 47.375 1.00 46.47 N ATOM 707 C2 DA D 35 33.237 29.331 46.035 1.00 46.20 C ATOM 708 N3 DA D 35 33.537 28.288 45.261 1.00 45.12 N ATOM 709 C4 DA D 35 33.826 27.206 46.015 1.00 46.18 C ATOM 710 P DT D 36 36.548 24.723 40.490 1.00 56.55 P ATOM 711 OP1 DT D 36 36.150 24.187 39.165 1.00 56.82 O ATOM 712 OP2 DT D 36 37.646 24.092 41.263 1.00 56.90 O ATOM 713 O5' DT D 36 36.912 26.272 40.318 1.00 56.11 O ATOM 714 C5' DT D 36 35.895 27.192 39.943 1.00 55.28 C ATOM 715 C4' DT D 36 36.036 28.489 40.709 1.00 54.20 C ATOM 716 O4' DT D 36 35.889 28.256 42.134 1.00 53.37 O ATOM 717 C3' DT D 36 37.382 29.188 40.532 1.00 54.75 C ATOM 718 O3' DT D 36 37.128 30.493 40.022 1.00 55.91 O ATOM 719 C2' DT D 36 37.960 29.203 41.949 1.00 53.34 C ATOM 720 C1' DT D 36 36.674 29.248 42.758 1.00 51.84 C ATOM 721 N1 DT D 36 36.809 29.006 44.233 1.00 50.98 N ATOM 722 C2 DT D 36 36.446 30.023 45.104 1.00 50.67 C ATOM 723 O2 DT D 36 36.013 31.107 44.745 1.00 50.66 O ATOM 724 N3 DT D 36 36.600 29.722 46.437 1.00 49.79 N ATOM 725 C4 DT D 36 37.065 28.536 46.979 1.00 50.58 C ATOM 726 O4 DT D 36 37.154 28.381 48.198 1.00 50.79 O ATOM 727 C5 DT D 36 37.433 27.514 46.017 1.00 50.53 C ATOM 728 C7 DT D 36 37.955 26.181 46.476 1.00 50.97 C ATOM 729 C6 DT D 36 37.290 27.795 44.709 1.00 50.59 C ATOM 730 P DG D 37 38.287 31.509 39.585 1.00 57.00 P ATOM 731 OP1 DG D 37 38.581 31.293 38.152 1.00 57.43 O ATOM 732 OP2 DG D 37 39.401 31.470 40.565 1.00 57.16 O ATOM 733 O5' DG D 37 37.537 32.913 39.766 1.00 56.37 O ATOM 734 C5' DG D 37 36.703 33.147 40.908 1.00 54.20 C ATOM 735 C4' DG D 37 37.177 34.343 41.730 1.00 52.72 C ATOM 736 O4' DG D 37 37.454 33.964 43.107 1.00 50.50 O ATOM 737 C3' DG D 37 38.438 35.074 41.280 1.00 53.05 C ATOM 738 O3' DG D 37 38.281 36.403 41.710 1.00 55.31 O ATOM 739 C2' DG D 37 39.542 34.389 42.080 1.00 50.84 C ATOM 740 C1' DG D 37 38.829 34.141 43.409 1.00 46.24 C ATOM 741 N9 DG D 37 39.266 32.949 44.130 1.00 44.60 N ATOM 742 C8 DG D 37 39.772 31.779 43.612 1.00 44.10 C ATOM 743 N7 DG D 37 40.061 30.885 44.513 1.00 43.81 N ATOM 744 C5 DG D 37 39.722 31.507 45.707 1.00 43.49 C ATOM 745 C6 DG D 37 39.816 31.035 47.036 1.00 43.32 C ATOM 746 O6 DG D 37 40.232 29.934 47.417 1.00 43.84 O ATOM 747 N1 DG D 37 39.375 31.984 47.958 1.00 43.53 N ATOM 748 C2 DG D 37 38.901 33.240 47.633 1.00 43.97 C ATOM 749 N2 DG D 37 38.519 34.028 48.649 1.00 44.13 N ATOM 750 N3 DG D 37 38.795 33.694 46.390 1.00 43.79 N ATOM 751 C4 DG D 37 39.227 32.776 45.485 1.00 43.82 C ATOM 752 P DG D 38 39.121 37.629 41.125 1.00 57.55 P ATOM 753 OP1 DG D 38 38.389 38.076 39.916 1.00 56.39 O ATOM 754 OP2 DG D 38 40.581 37.312 41.051 1.00 57.12 O ATOM 755 O5' DG D 38 38.925 38.698 42.316 1.00 55.86 O ATOM 756 C5' DG D 38 38.342 38.317 43.583 1.00 52.32 C ATOM 757 C4' DG D 38 39.332 38.424 44.738 1.00 49.91 C ATOM 758 O4' DG D 38 39.826 37.118 45.148 1.00 47.83 O ATOM 759 C3' DG D 38 40.579 39.255 44.482 1.00 49.10 C ATOM 760 O3' DG D 38 40.764 40.024 45.658 1.00 51.11 O ATOM 761 C2' DG D 38 41.665 38.192 44.268 1.00 47.31 C ATOM 762 C1' DG D 38 41.229 37.178 45.319 1.00 43.32 C ATOM 763 N9 DG D 38 41.780 35.815 45.266 1.00 41.86 N ATOM 764 C8 DG D 38 42.216 35.080 44.180 1.00 40.99 C ATOM 765 N7 DG D 38 42.640 33.879 44.487 1.00 40.25 N ATOM 766 C5 DG D 38 42.477 33.807 45.871 1.00 41.06 C ATOM 767 C6 DG D 38 42.772 32.755 46.788 1.00 41.19 C ATOM 768 O6 DG D 38 43.242 31.629 46.551 1.00 41.01 O ATOM 769 N1 DG D 38 42.454 33.112 48.101 1.00 40.88 N ATOM 770 C2 DG D 38 41.927 34.330 48.487 1.00 40.84 C ATOM 771 N2 DG D 38 41.687 34.499 49.793 1.00 40.95 N ATOM 772 N3 DG D 38 41.654 35.324 47.649 1.00 40.15 N ATOM 773 C4 DG D 38 41.949 34.993 46.361 1.00 41.13 C ATOM 774 P DC D 39 41.648 41.363 45.704 1.00 52.25 P ATOM 775 OP1 DC D 39 40.738 42.440 45.248 1.00 52.57 O ATOM 776 OP2 DC D 39 42.954 41.118 45.035 1.00 51.39 O ATOM 777 O5' DC D 39 41.953 41.558 47.275 1.00 51.13 O ATOM 778 C5' DC D 39 41.265 40.792 48.289 1.00 48.50 C ATOM 779 C4' DC D 39 42.230 40.096 49.247 1.00 46.03 C ATOM 780 O4' DC D 39 42.572 38.763 48.775 1.00 45.13 O ATOM 781 C3' DC D 39 43.577 40.772 49.449 1.00 44.88 C ATOM 782 O3' DC D 39 44.000 40.548 50.782 1.00 44.34 O ATOM 783 C2' DC D 39 44.481 40.013 48.485 1.00 44.01 C ATOM 784 C1' DC D 39 43.977 38.623 48.828 1.00 42.03 C ATOM 785 N1 DC D 39 44.460 37.511 47.959 1.00 40.31 N ATOM 786 C2 DC D 39 44.680 36.251 48.541 1.00 39.50 C ATOM 787 O2 DC D 39 44.458 36.088 49.752 1.00 39.15 O ATOM 788 N3 DC D 39 45.129 35.236 47.758 1.00 39.54 N ATOM 789 C4 DC D 39 45.353 35.443 46.453 1.00 40.73 C ATOM 790 N4 DC D 39 45.794 34.414 45.719 1.00 40.66 N ATOM 791 C5 DC D 39 45.137 36.721 45.842 1.00 40.39 C ATOM 792 C6 DC D 39 44.699 37.717 46.627 1.00 40.45 C ATOM 793 P DA D 40 44.680 41.753 51.566 1.00 44.40 P ATOM 794 OP1 DA D 40 43.550 42.625 51.961 1.00 45.48 O ATOM 795 OP2 DA D 40 45.771 42.292 50.715 1.00 44.55 O ATOM 796 O5' DA D 40 45.321 41.102 52.889 1.00 40.64 O ATOM 797 C5' DA D 40 44.802 39.881 53.421 1.00 36.42 C ATOM 798 C4' DA D 40 45.872 38.908 53.909 1.00 30.96 C ATOM 799 O4' DA D 40 46.163 37.912 52.901 1.00 29.11 O ATOM 800 C3' DA D 40 47.217 39.469 54.345 1.00 30.15 C ATOM 801 O3' DA D 40 47.418 38.908 55.612 1.00 26.56 O ATOM 802 C2' DA D 40 48.207 38.955 53.291 1.00 28.97 C ATOM 803 C1' DA D 40 47.543 37.682 52.773 1.00 27.61 C ATOM 804 N9 DA D 40 47.759 37.364 51.360 1.00 27.89 N ATOM 805 C8 DA D 40 47.509 38.174 50.274 1.00 27.81 C ATOM 806 N7 DA D 40 47.769 37.621 49.108 1.00 26.66 N ATOM 807 C5 DA D 40 48.214 36.357 49.446 1.00 26.74 C ATOM 808 C6 DA D 40 48.663 35.276 48.661 1.00 26.61 C ATOM 809 N6 DA D 40 48.741 35.307 47.326 1.00 26.68 N ATOM 810 N1 DA D 40 49.045 34.154 49.310 1.00 28.08 N ATOM 811 C2 DA D 40 49.002 34.115 50.660 1.00 27.35 C ATOM 812 N3 DA D 40 48.591 35.070 51.500 1.00 26.21 N ATOM 813 C4 DA D 40 48.211 36.175 50.828 1.00 27.34 C ATOM 814 P DA D 41 48.602 39.353 56.572 1.00 26.77 P ATOM 815 OP1 DA D 41 48.238 38.932 57.947 1.00 23.69 O ATOM 816 OP2 DA D 41 48.974 40.762 56.284 1.00 28.13 O ATOM 817 O5' DA D 41 49.803 38.435 56.057 1.00 25.69 O ATOM 818 C5' DA D 41 49.831 37.025 56.237 1.00 22.61 C ATOM 819 C4' DA D 41 51.148 36.535 55.675 1.00 20.12 C ATOM 820 O4' DA D 41 50.990 36.481 54.238 1.00 20.29 O ATOM 821 C3' DA D 41 52.321 37.473 55.921 1.00 19.31 C ATOM 822 O3' DA D 41 53.466 36.724 56.258 1.00 18.92 O ATOM 823 C2' DA D 41 52.542 38.144 54.569 1.00 18.93 C ATOM 824 C1' DA D 41 52.166 36.988 53.668 1.00 18.62 C ATOM 825 N9 DA D 41 51.879 37.338 52.278 1.00 18.09 N ATOM 826 C8 DA D 41 51.374 38.510 51.777 1.00 18.38 C ATOM 827 N7 DA D 41 51.251 38.514 50.464 1.00 18.57 N ATOM 828 C5 DA D 41 51.719 37.261 50.086 1.00 18.29 C ATOM 829 C6 DA D 41 51.855 36.619 48.832 1.00 18.92 C ATOM 830 N6 DA D 41 51.510 37.191 47.660 1.00 18.80 N ATOM 831 N1 DA D 41 52.353 35.356 48.821 1.00 18.23 N ATOM 832 C2 DA D 41 52.715 34.772 49.982 1.00 17.29 C ATOM 833 N3 DA D 41 52.611 35.272 51.208 1.00 14.78 N ATOM 834 C4 DA D 41 52.107 36.521 51.195 1.00 16.14 C ATOM 835 P DA D 42 54.423 37.199 57.407 1.00 17.54 P ATOM 836 OP1 DA D 42 53.719 36.840 58.668 1.00 17.60 O ATOM 837 OP2 DA D 42 54.905 38.585 57.179 1.00 18.59 O ATOM 838 O5' DA D 42 55.735 36.301 57.176 1.00 19.20 O ATOM 839 C5' DA D 42 55.769 34.871 57.312 1.00 19.20 C ATOM 840 C4' DA D 42 56.782 34.259 56.349 1.00 18.41 C ATOM 841 O4' DA D 42 56.289 34.432 54.976 1.00 20.35 O ATOM 842 C3' DA D 42 58.164 34.878 56.451 1.00 17.02 C ATOM 843 O3' DA D 42 59.221 33.928 56.712 1.00 17.92 O ATOM 844 C2' DA D 42 58.341 35.625 55.126 1.00 17.83 C ATOM 845 C1' DA D 42 57.305 35.024 54.180 1.00 17.80 C ATOM 846 N9 DA D 42 56.644 36.012 53.327 1.00 19.03 N ATOM 847 C8 DA D 42 56.086 37.209 53.707 1.00 18.56 C ATOM 848 N7 DA D 42 55.529 37.886 52.719 1.00 17.75 N ATOM 849 C5 DA D 42 55.718 37.079 51.600 1.00 19.28 C ATOM 850 C6 DA D 42 55.373 37.209 50.215 1.00 18.58 C ATOM 851 N6 DA D 42 54.739 38.262 49.694 1.00 17.96 N ATOM 852 N1 DA D 42 55.714 36.211 49.364 1.00 18.69 N ATOM 853 C2 DA D 42 56.360 35.145 49.854 1.00 18.47 C ATOM 854 N3 DA D 42 56.749 34.918 51.120 1.00 19.55 N ATOM 855 C4 DA D 42 56.399 35.920 51.958 1.00 19.72 C TER 856 DA D 42 ATOM 857 N ARG A 5 27.183 18.983 41.692 1.00 48.24 N ATOM 858 CA ARG A 5 27.019 20.379 41.181 1.00 48.28 C ATOM 859 C ARG A 5 27.654 20.551 39.796 1.00 47.97 C ATOM 860 O ARG A 5 28.844 20.279 39.602 1.00 47.93 O ATOM 861 CB ARG A 5 27.590 21.395 42.186 1.00 48.39 C ATOM 862 CG ARG A 5 28.022 22.728 41.581 1.00 49.13 C ATOM 863 CD ARG A 5 28.918 23.510 42.518 1.00 50.32 C ATOM 864 NE ARG A 5 28.257 24.705 43.036 1.00 51.34 N ATOM 865 CZ ARG A 5 28.391 25.929 42.523 1.00 51.78 C ATOM 866 NH1 ARG A 5 29.166 26.143 41.461 1.00 51.84 N ATOM 867 NH2 ARG A 5 27.747 26.948 43.076 1.00 50.59 N ATOM 868 N THR A 6 26.846 21.012 38.844 1.00 47.54 N ATOM 869 CA THR A 6 27.309 21.275 37.486 1.00 47.16 C ATOM 870 C THR A 6 27.611 22.758 37.293 1.00 46.54 C ATOM 871 O THR A 6 26.887 23.608 37.792 1.00 46.55 O ATOM 872 CB THR A 6 26.255 20.847 36.437 1.00 47.45 C ATOM 873 OG1 THR A 6 24.991 21.441 36.760 1.00 47.14 O ATOM 874 CG2 THR A 6 26.125 19.305 36.372 1.00 47.49 C ATOM 875 N ALA A 7 28.684 23.058 36.568 1.00 45.97 N ATOM 876 CA ALA A 7 29.014 24.435 36.211 1.00 45.39 C ATOM 877 C ALA A 7 28.640 24.673 34.754 1.00 44.94 C ATOM 878 O ALA A 7 29.098 23.949 33.874 1.00 45.11 O ATOM 879 CB ALA A 7 30.494 24.705 36.444 1.00 45.55 C ATOM 880 N PHE A 8 27.792 25.666 34.502 1.00 44.46 N ATOM 881 CA PHE A 8 27.313 25.939 33.142 1.00 44.16 C ATOM 882 C PHE A 8 28.388 26.646 32.324 1.00 43.83 C ATOM 883 O PHE A 8 29.058 27.551 32.829 1.00 44.00 O ATOM 884 CB PHE A 8 26.053 26.819 33.149 1.00 44.05 C ATOM 885 CG PHE A 8 24.940 26.318 34.036 1.00 44.38 C ATOM 886 CD1 PHE A 8 24.097 25.296 33.620 1.00 45.61 C ATOM 887 CD2 PHE A 8 24.709 26.899 35.276 1.00 44.00 C ATOM 888 CE1 PHE A 8 23.053 24.849 34.445 1.00 45.51 C ATOM 889 CE2 PHE A 8 23.669 26.457 36.097 1.00 43.60 C ATOM 890 CZ PHE A 8 22.843 25.443 35.683 1.00 43.49 C ATOM 891 N SER A 9 28.540 26.245 31.062 1.00 43.20 N ATOM 892 CA SER A 9 29.424 26.951 30.133 1.00 42.89 C ATOM 893 C SER A 9 28.921 28.380 29.849 1.00 42.71 C ATOM 894 O SER A 9 27.746 28.689 30.072 1.00 42.63 O ATOM 895 CB SER A 9 29.557 26.163 28.832 1.00 42.81 C ATOM 896 OG SER A 9 28.324 26.112 28.143 1.00 42.74 O ATOM 897 N SER A 10 29.807 29.248 29.361 1.00 42.60 N ATOM 898 CA SER A 10 29.432 30.641 29.077 1.00 42.28 C ATOM 899 C SER A 10 28.373 30.765 27.972 1.00 42.00 C ATOM 900 O SER A 10 27.573 31.688 27.991 1.00 42.31 O ATOM 901 CB SER A 10 30.663 31.494 28.768 1.00 42.35 C ATOM 902 OG SER A 10 31.344 31.010 27.632 1.00 42.42 O ATOM 903 N GLU A 11 28.370 29.823 27.031 1.00 41.78 N ATOM 904 CA GLU A 11 27.339 29.718 25.989 1.00 41.37 C ATOM 905 C GLU A 11 25.953 29.368 26.549 1.00 40.79 C ATOM 906 O GLU A 11 24.931 29.823 26.023 1.00 40.43 O ATOM 907 CB GLU A 11 27.751 28.659 24.958 1.00 41.46 C ATOM 908 CG GLU A 11 27.047 28.767 23.606 1.00 42.31 C ATOM 909 N GLN A 12 25.926 28.541 27.597 1.00 40.39 N ATOM 910 CA GLN A 12 24.681 28.168 28.269 1.00 39.44 C ATOM 911 C GLN A 12 24.186 29.340 29.107 1.00 39.93 C ATOM 912 O GLN A 12 23.009 29.717 29.035 1.00 39.88 O ATOM 913 CB GLN A 12 24.890 26.931 29.147 1.00 39.65 C ATOM 914 CG GLN A 12 24.776 25.593 28.410 1.00 38.79 C ATOM 915 CD GLN A 12 25.379 24.415 29.179 1.00 38.60 C ATOM 916 OE1 GLN A 12 26.116 24.593 30.152 1.00 36.34 O ATOM 917 NE2 GLN A 12 25.065 23.199 28.734 1.00 36.65 N ATOM 918 N LEU A 13 25.090 29.915 29.900 1.00 39.59 N ATOM 919 CA LEU A 13 24.778 31.093 30.697 1.00 39.89 C ATOM 920 C LEU A 13 24.278 32.240 29.815 1.00 39.42 C ATOM 921 O LEU A 13 23.269 32.850 30.108 1.00 39.91 O ATOM 922 CB LEU A 13 25.994 31.517 31.528 1.00 40.34 C ATOM 923 CG LEU A 13 26.259 30.596 32.725 1.00 40.28 C ATOM 924 CD1 LEU A 13 27.673 30.758 33.260 1.00 40.43 C ATOM 925 CD2 LEU A 13 25.229 30.829 33.820 1.00 40.18 C ATOM 926 N ALA A 14 24.962 32.490 28.711 1.00 39.14 N ATOM 927 CA ALA A 14 24.546 33.530 27.771 1.00 38.92 C ATOM 928 C ALA A 14 23.114 33.336 27.277 1.00 38.47 C ATOM 929 O ALA A 14 22.347 34.285 27.220 1.00 38.18 O ATOM 930 CB ALA A 14 25.519 33.613 26.588 1.00 38.44 C ATOM 931 N ARG A 15 22.775 32.106 26.911 1.00 38.17 N ATOM 932 CA ARG A 15 21.465 31.784 26.374 1.00 38.00 C ATOM 933 C ARG A 15 20.404 31.844 27.449 1.00 37.48 C ATOM 934 O ARG A 15 19.285 32.267 27.186 1.00 37.46 O ATOM 935 CB ARG A 15 21.481 30.390 25.751 1.00 38.97 C ATOM 936 CG ARG A 15 20.124 29.895 25.243 1.00 40.66 C ATOM 937 CD ARG A 15 19.503 30.849 24.221 1.00 45.25 C ATOM 938 NE ARG A 15 18.137 30.443 23.910 1.00 47.22 N ATOM 939 CZ ARG A 15 17.815 29.549 22.981 1.00 48.58 C ATOM 940 NH1 ARG A 15 18.765 28.963 22.251 1.00 45.44 N ATOM 941 NH2 ARG A 15 16.537 29.242 22.785 1.00 49.77 N ATOM 942 N LEU A 16 20.754 31.394 28.653 1.00 36.97 N ATOM 943 CA LEU A 16 19.847 31.414 29.798 1.00 36.20 C ATOM 944 C LEU A 16 19.499 32.846 30.193 1.00 36.43 C ATOM 945 O LEU A 16 18.330 33.152 30.422 1.00 36.90 O ATOM 946 CB LEU A 16 20.450 30.655 30.982 1.00 35.85 C ATOM 947 CG LEU A 16 20.486 29.123 30.974 1.00 33.75 C ATOM 948 CD1 LEU A 16 21.509 28.638 32.006 1.00 32.46 C ATOM 949 CD2 LEU A 16 19.125 28.530 31.255 1.00 32.96 C ATOM 950 N LYS A 17 20.510 33.717 30.242 1.00 36.49 N ATOM 951 CA LYS A 17 20.334 35.143 30.512 1.00 36.64 C ATOM 952 C LYS A 17 19.450 35.882 29.494 1.00 36.42 C ATOM 953 O LYS A 17 18.545 36.613 29.885 1.00 35.57 O ATOM 954 CB LYS A 17 21.693 35.836 30.609 1.00 37.28 C ATOM 955 CG LYS A 17 22.446 35.549 31.897 1.00 39.44 C ATOM 956 CD LYS A 17 23.876 36.056 31.811 1.00 42.21 C ATOM 957 CE LYS A 17 24.666 35.729 33.069 1.00 43.24 C ATOM 958 NZ LYS A 17 26.062 36.240 32.936 1.00 44.16 N ATOM 959 N ARG A 18 19.726 35.709 28.202 1.00 35.74 N ATOM 960 CA ARG A 18 18.841 36.240 27.148 1.00 36.61 C ATOM 961 C ARG A 18 17.395 35.773 27.344 1.00 36.14 C ATOM 962 O ARG A 18 16.471 36.584 27.261 1.00 36.27 O ATOM 963 CB ARG A 18 19.286 35.812 25.751 1.00 35.83 C ATOM 964 CG ARG A 18 20.708 36.140 25.382 1.00 37.99 C ATOM 965 CD ARG A 18 20.978 35.870 23.872 1.00 38.58 C ATOM 966 NE ARG A 18 22.374 35.499 23.647 1.00 40.31 N ATOM 967 CZ ARG A 18 22.803 34.292 23.281 1.00 41.93 C ATOM 968 NH1 ARG A 18 21.954 33.285 23.034 1.00 41.48 N ATOM 969 NH2 ARG A 18 24.106 34.099 23.131 1.00 43.78 N ATOM 970 N GLU A 19 17.214 34.462 27.562 1.00 35.50 N ATOM 971 CA GLU A 19 15.896 33.864 27.842 1.00 35.47 C ATOM 972 C GLU A 19 15.250 34.444 29.094 1.00 34.82 C ATOM 973 O GLU A 19 14.074 34.800 29.081 1.00 34.97 O ATOM 974 CB GLU A 19 15.988 32.330 27.972 1.00 35.07 C ATOM 975 CG GLU A 19 16.326 31.597 26.678 1.00 38.07 C ATOM 976 CD GLU A 19 15.201 31.583 25.660 1.00 41.40 C ATOM 977 OE1 GLU A 19 14.067 31.987 25.990 1.00 43.73 O ATOM 978 OE2 GLU A 19 15.454 31.170 24.506 1.00 45.74 O ATOM 979 N PHE A 20 16.017 34.529 30.180 1.00 35.05 N ATOM 980 CA PHE A 20 15.534 35.179 31.405 1.00 35.40 C ATOM 981 C PHE A 20 15.055 36.624 31.135 1.00 35.93 C ATOM 982 O PHE A 20 13.995 37.065 31.630 1.00 35.58 O ATOM 983 CB PHE A 20 16.628 35.201 32.467 1.00 35.06 C ATOM 984 CG PHE A 20 16.143 35.671 33.799 1.00 36.60 C ATOM 985 CD1 PHE A 20 15.511 34.798 34.667 1.00 34.47 C ATOM 986 CD2 PHE A 20 16.310 36.996 34.186 1.00 37.53 C ATOM 987 CE1 PHE A 20 15.046 35.239 35.868 1.00 35.88 C ATOM 988 CE2 PHE A 20 15.862 37.433 35.421 1.00 36.67 C ATOM 989 CZ PHE A 20 15.225 36.561 36.247 1.00 35.26 C ATOM 990 N ASN A 21 15.856 37.348 30.356 1.00 35.65 N ATOM 991 CA ASN A 21 15.601 38.741 29.988 1.00 36.79 C ATOM 992 C ASN A 21 14.243 38.892 29.287 1.00 36.73 C ATOM 993 O ASN A 21 13.487 39.800 29.612 1.00 36.82 O ATOM 994 CB ASN A 21 16.780 39.232 29.123 1.00 36.91 C ATOM 995 CG ASN A 21 16.608 40.628 28.587 1.00 39.73 C ATOM 996 OD1 ASN A 21 16.145 40.811 27.456 1.00 43.47 O ATOM 997 ND2 ASN A 21 17.059 41.625 29.345 1.00 40.35 N ATOM 998 N GLU A 22 13.931 37.971 28.367 1.00 36.72 N ATOM 999 CA GLU A 22 12.687 37.983 27.593 1.00 36.87 C ATOM 1000 C GLU A 22 11.489 37.543 28.417 1.00 37.09 C ATOM 1001 O GLU A 22 10.408 38.105 28.278 1.00 36.95 O ATOM 1002 CB GLU A 22 12.797 37.076 26.353 1.00 36.56 C ATOM 1003 CG GLU A 22 13.705 37.595 25.257 1.00 38.17 C ATOM 1004 N ASN A 23 11.684 36.506 29.233 1.00 38.40 N ATOM 1005 CA ASN A 23 10.648 35.978 30.157 1.00 39.54 C ATOM 1006 C ASN A 23 11.267 35.284 31.377 1.00 39.02 C ATOM 1007 O ASN A 23 11.891 34.247 31.250 1.00 38.61 O ATOM 1008 CB ASN A 23 9.677 35.036 29.418 1.00 40.25 C ATOM 1009 CG ASN A 23 8.438 34.671 30.259 1.00 44.23 C ATOM 1010 OD1 ASN A 23 8.247 35.146 31.402 1.00 48.53 O ATOM 1011 ND2 ASN A 23 7.593 33.826 29.694 1.00 44.67 N ATOM 1012 N ARG A 24 11.088 35.877 32.555 1.00 38.95 N ATOM 1013 CA ARG A 24 11.690 35.387 33.791 1.00 38.73 C ATOM 1014 C ARG A 24 10.985 34.154 34.425 1.00 38.29 C ATOM 1015 O ARG A 24 11.503 33.550 35.343 1.00 37.83 O ATOM 1016 CB ARG A 24 11.834 36.558 34.790 1.00 39.29 C ATOM 1017 CG ARG A 24 10.519 37.075 35.360 1.00 39.78 C ATOM 1018 CD ARG A 24 10.594 38.561 35.780 1.00 39.37 C ATOM 1019 NE ARG A 24 9.388 38.946 36.519 1.00 40.93 N ATOM 1020 CZ ARG A 24 8.179 39.089 35.957 1.00 41.60 C ATOM 1021 NH1 ARG A 24 7.999 38.897 34.637 1.00 35.71 N ATOM 1022 NH2 ARG A 24 7.138 39.431 36.718 1.00 40.50 N ATOM 1023 N TYR A 25 9.833 33.765 33.906 1.00 38.61 N ATOM 1024 CA TYR A 25 9.189 32.506 34.295 1.00 39.48 C ATOM 1025 C TYR A 25 9.050 31.598 33.085 1.00 39.76 C ATOM 1026 O TYR A 25 8.595 32.027 32.047 1.00 40.29 O ATOM 1027 CB TYR A 25 7.795 32.738 34.901 1.00 39.28 C ATOM 1028 CG TYR A 25 7.829 33.507 36.204 1.00 39.33 C ATOM 1029 CD1 TYR A 25 8.037 32.852 37.412 1.00 38.81 C ATOM 1030 CD2 TYR A 25 7.675 34.885 36.222 1.00 39.25 C ATOM 1031 CE1 TYR A 25 8.087 33.553 38.615 1.00 38.96 C ATOM 1032 CE2 TYR A 25 7.717 35.614 37.440 1.00 39.12 C ATOM 1033 CZ TYR A 25 7.931 34.937 38.615 1.00 39.96 C ATOM 1034 OH TYR A 25 7.989 35.620 39.802 1.00 39.76 O ATOM 1035 N LEU A 26 9.401 30.332 33.262 1.00 40.44 N ATOM 1036 CA LEU A 26 9.242 29.292 32.238 1.00 40.92 C ATOM 1037 C LEU A 26 7.884 28.635 32.171 1.00 40.15 C ATOM 1038 O LEU A 26 7.303 28.331 33.201 1.00 39.75 O ATOM 1039 CB LEU A 26 10.178 28.154 32.565 1.00 40.96 C ATOM 1040 CG LEU A 26 11.666 28.368 32.628 1.00 43.15 C ATOM 1041 CD1 LEU A 26 12.243 27.175 33.443 1.00 45.05 C ATOM 1042 CD2 LEU A 26 12.213 28.442 31.223 1.00 41.20 C ATOM 1043 N THR A 27 7.404 28.343 30.962 1.00 39.94 N ATOM 1044 CA THR A 27 6.344 27.358 30.841 1.00 40.38 C ATOM 1045 C THR A 27 7.013 25.978 30.877 1.00 40.13 C ATOM 1046 O THR A 27 8.236 25.884 30.847 1.00 40.05 O ATOM 1047 CB THR A 27 5.489 27.521 29.553 1.00 40.70 C ATOM 1048 OG1 THR A 27 6.340 27.512 28.400 1.00 41.48 O ATOM 1049 CG2 THR A 27 4.676 28.824 29.594 1.00 40.38 C ATOM 1050 N GLU A 28 6.213 24.925 30.995 1.00 40.40 N ATOM 1051 CA GLU A 28 6.693 23.552 30.863 1.00 40.77 C ATOM 1052 C GLU A 28 7.334 23.345 29.475 1.00 40.53 C ATOM 1053 O GLU A 28 8.494 22.950 29.389 1.00 40.41 O ATOM 1054 CB GLU A 28 5.522 22.579 31.063 1.00 41.02 C ATOM 1055 CG GLU A 28 5.875 21.101 30.894 1.00 41.36 C ATOM 1056 CD GLU A 28 4.654 20.191 30.920 1.00 42.22 C ATOM 1057 OE1 GLU A 28 3.515 20.671 30.717 1.00 45.00 O ATOM 1058 OE2 GLU A 28 4.833 18.977 31.127 1.00 44.28 O ATOM 1059 N ARG A 29 6.572 23.636 28.411 1.00 39.75 N ATOM 1060 CA ARG A 29 7.073 23.646 27.020 1.00 39.72 C ATOM 1061 C ARG A 29 8.452 24.303 26.877 1.00 39.72 C ATOM 1062 O ARG A 29 9.373 23.691 26.338 1.00 39.28 O ATOM 1063 CB ARG A 29 6.055 24.316 26.075 1.00 39.60 C ATOM 1064 CG ARG A 29 6.251 24.033 24.579 1.00 39.65 C ATOM 1065 N ARG A 30 8.604 25.519 27.407 1.00 39.71 N ATOM 1066 CA ARG A 30 9.839 26.285 27.227 1.00 39.57 C ATOM 1067 C ARG A 30 11.015 25.735 28.024 1.00 38.97 C ATOM 1068 O ARG A 30 12.153 25.730 27.536 1.00 38.40 O ATOM 1069 CB ARG A 30 9.631 27.751 27.562 1.00 39.94 C ATOM 1070 CG ARG A 30 10.740 28.614 26.997 1.00 43.20 C ATOM 1071 CD ARG A 30 10.316 30.061 26.895 1.00 47.30 C ATOM 1072 NE ARG A 30 10.755 30.818 28.050 1.00 48.96 N ATOM 1073 CZ ARG A 30 9.972 31.168 29.068 1.00 52.11 C ATOM 1074 NH1 ARG A 30 8.669 30.846 29.091 1.00 51.76 N ATOM 1075 NH2 ARG A 30 10.506 31.843 30.067 1.00 49.16 N ATOM 1076 N ARG A 31 10.733 25.299 29.249 1.00 38.16 N ATOM 1077 CA ARG A 31 11.708 24.577 30.074 1.00 38.28 C ATOM 1078 C ARG A 31 12.230 23.346 29.331 1.00 37.35 C ATOM 1079 O ARG A 31 13.437 23.120 29.286 1.00 37.10 O ATOM 1080 CB ARG A 31 11.072 24.141 31.402 1.00 37.61 C ATOM 1081 CG ARG A 31 12.015 23.369 32.332 1.00 39.49 C ATOM 1082 CD ARG A 31 11.302 22.827 33.615 1.00 38.66 C ATOM 1083 NE ARG A 31 10.325 21.783 33.294 1.00 42.65 N ATOM 1084 CZ ARG A 31 9.067 21.748 33.731 1.00 43.62 C ATOM 1085 NH1 ARG A 31 8.605 22.692 34.547 1.00 44.81 N ATOM 1086 NH2 ARG A 31 8.272 20.763 33.359 1.00 40.96 N ATOM 1087 N GLN A 32 11.311 22.551 28.786 1.00 36.95 N ATOM 1088 CA GLN A 32 11.662 21.373 27.979 1.00 37.36 C ATOM 1089 C GLN A 32 12.506 21.757 26.750 1.00 37.32 C ATOM 1090 O GLN A 32 13.500 21.090 26.448 1.00 38.23 O ATOM 1091 CB GLN A 32 10.410 20.634 27.492 1.00 37.18 C ATOM 1092 CG GLN A 32 9.475 20.088 28.556 1.00 37.48 C ATOM 1093 CD GLN A 32 8.237 19.450 27.938 1.00 37.23 C ATOM 1094 OE1 GLN A 32 7.703 19.947 26.946 1.00 36.53 O ATOM 1095 NE2 GLN A 32 7.784 18.340 28.515 1.00 37.38 N ATOM 1096 N GLN A 33 12.099 22.809 26.042 1.00 36.60 N ATOM 1097 CA GLN A 33 12.813 23.284 24.838 1.00 36.40 C ATOM 1098 C GLN A 33 14.227 23.787 25.143 1.00 36.20 C ATOM 1099 O GLN A 33 15.189 23.370 24.502 1.00 35.85 O ATOM 1100 CB GLN A 33 12.045 24.424 24.200 1.00 36.61 C ATOM 1101 CG GLN A 33 10.785 24.039 23.446 1.00 37.82 C ATOM 1102 CD GLN A 33 10.077 25.267 22.894 1.00 38.78 C ATOM 1103 OE1 GLN A 33 10.296 26.387 23.362 1.00 42.16 O ATOM 1104 NE2 GLN A 33 9.224 25.066 21.910 1.00 39.94 N ATOM 1105 N LEU A 34 14.338 24.687 26.124 1.00 36.54 N ATOM 1106 CA LEU A 34 15.622 25.153 26.651 1.00 37.03 C ATOM 1107 C LEU A 34 16.576 24.053 27.092 1.00 37.46 C ATOM 1108 O LEU A 34 17.750 24.105 26.778 1.00 37.30 O ATOM 1109 CB LEU A 34 15.411 26.114 27.827 1.00 36.89 C ATOM 1110 CG LEU A 34 15.033 27.538 27.460 1.00 37.77 C ATOM 1111 CD1 LEU A 34 15.077 28.398 28.706 1.00 38.53 C ATOM 1112 CD2 LEU A 34 15.998 28.059 26.409 1.00 36.91 C ATOM 1113 N SER A 35 16.071 23.085 27.852 1.00 38.36 N ATOM 1114 CA SER A 35 16.850 21.922 28.281 1.00 38.81 C ATOM 1115 C SER A 35 17.422 21.143 27.094 1.00 38.80 C ATOM 1116 O SER A 35 18.608 20.776 27.076 1.00 39.82 O ATOM 1117 CB SER A 35 15.967 21.020 29.157 1.00 38.83 C ATOM 1118 OG SER A 35 16.306 19.649 29.008 1.00 40.81 O ATOM 1119 N SER A 36 16.573 20.895 26.100 1.00 38.49 N ATOM 1120 CA SER A 36 16.956 20.205 24.868 1.00 37.29 C ATOM 1121 C SER A 36 17.991 21.017 24.056 1.00 37.76 C ATOM 1122 O SER A 36 19.018 20.483 23.622 1.00 37.23 O ATOM 1123 CB SER A 36 15.699 19.940 24.036 1.00 36.93 C ATOM 1124 OG SER A 36 15.971 19.210 22.857 1.00 36.84 O ATOM 1125 N GLU A 37 17.740 22.311 23.865 1.00 37.89 N ATOM 1126 CA GLU A 37 18.675 23.150 23.099 1.00 37.84 C ATOM 1127 C GLU A 37 20.028 23.349 23.794 1.00 37.02 C ATOM 1128 O GLU A 37 21.039 23.500 23.139 1.00 37.03 O ATOM 1129 CB GLU A 37 18.047 24.504 22.766 1.00 38.63 C ATOM 1130 CG GLU A 37 16.907 24.447 21.737 1.00 40.92 C ATOM 1131 CD GLU A 37 15.930 25.608 21.895 1.00 44.85 C ATOM 1132 OE1 GLU A 37 16.067 26.363 22.878 1.00 48.15 O ATOM 1133 OE2 GLU A 37 15.027 25.776 21.042 1.00 46.17 O ATOM 1134 N LEU A 38 20.061 23.326 25.119 1.00 36.52 N ATOM 1135 CA LEU A 38 21.313 23.637 25.820 1.00 36.14 C ATOM 1136 C LEU A 38 22.118 22.431 26.311 1.00 36.09 C ATOM 1137 O LEU A 38 23.237 22.585 26.823 1.00 35.83 O ATOM 1138 CB LEU A 38 21.046 24.599 26.964 1.00 36.42 C ATOM 1139 CG LEU A 38 20.529 25.979 26.564 1.00 35.69 C ATOM 1140 CD1 LEU A 38 20.254 26.805 27.806 1.00 36.66 C ATOM 1141 CD2 LEU A 38 21.537 26.668 25.674 1.00 37.25 C ATOM 1142 N GLY A 39 21.548 21.239 26.138 1.00 35.59 N ATOM 1143 CA GLY A 39 22.109 20.022 26.693 1.00 35.29 C ATOM 1144 C GLY A 39 22.091 20.017 28.207 1.00 35.10 C ATOM 1145 O GLY A 39 23.092 19.675 28.835 1.00 34.90 O ATOM 1146 N LEU A 40 20.954 20.393 28.787 1.00 34.82 N ATOM 1147 CA LEU A 40 20.778 20.384 30.236 1.00 34.79 C ATOM 1148 C LEU A 40 19.513 19.634 30.667 1.00 35.14 C ATOM 1149 O LEU A 40 18.596 19.448 29.873 1.00 35.28 O ATOM 1150 CB LEU A 40 20.697 21.827 30.758 1.00 34.85 C ATOM 1151 CG LEU A 40 21.919 22.738 30.714 1.00 33.60 C ATOM 1152 CD1 LEU A 40 21.492 24.147 31.107 1.00 34.84 C ATOM 1153 CD2 LEU A 40 23.015 22.229 31.630 1.00 33.80 C ATOM 1154 N ASN A 41 19.439 19.228 31.931 1.00 34.85 N ATOM 1155 CA ASN A 41 18.192 18.652 32.440 1.00 35.08 C ATOM 1156 C ASN A 41 17.240 19.738 32.852 1.00 35.58 C ATOM 1157 O ASN A 41 17.678 20.799 33.299 1.00 37.42 O ATOM 1158 CB ASN A 41 18.458 17.713 33.596 1.00 34.65 C ATOM 1159 CG ASN A 41 19.403 16.637 33.230 1.00 33.68 C ATOM 1160 OD1 ASN A 41 19.253 16.003 32.186 1.00 33.28 O ATOM 1161 ND2 ASN A 41 20.414 16.427 34.063 1.00 33.99 N ATOM 1162 N GLU A 42 15.943 19.476 32.715 1.00 35.44 N ATOM 1163 CA GLU A 42 14.912 20.454 33.026 1.00 35.55 C ATOM 1164 C GLU A 42 15.019 21.000 34.463 1.00 35.88 C ATOM 1165 O GLU A 42 14.695 22.160 34.707 1.00 35.72 O ATOM 1166 CB GLU A 42 13.514 19.891 32.732 1.00 34.71 C ATOM 1167 CG GLU A 42 13.211 19.680 31.206 1.00 36.16 C ATOM 1168 CD GLU A 42 11.917 18.912 30.973 1.00 36.46 C ATOM 1169 OE1 GLU A 42 10.880 19.317 31.518 1.00 40.03 O ATOM 1170 OE2 GLU A 42 11.923 17.883 30.276 1.00 38.32 O ATOM 1171 N ALA A 43 15.497 20.180 35.402 1.00 36.32 N ATOM 1172 CA ALA A 43 15.658 20.627 36.789 1.00 36.62 C ATOM 1173 C ALA A 43 16.736 21.709 36.913 1.00 36.83 C ATOM 1174 O ALA A 43 16.643 22.590 37.767 1.00 36.81 O ATOM 1175 CB ALA A 43 15.959 19.451 37.712 1.00 36.19 C ATOM 1176 N GLN A 44 17.753 21.642 36.055 1.00 37.63 N ATOM 1177 CA GLN A 44 18.834 22.644 36.050 1.00 37.72 C ATOM 1178 C GLN A 44 18.385 23.986 35.480 1.00 37.84 C ATOM 1179 O GLN A 44 18.775 25.038 35.973 1.00 37.22 O ATOM 1180 CB GLN A 44 20.052 22.125 35.291 1.00 37.51 C ATOM 1181 CG GLN A 44 20.592 20.812 35.842 1.00 38.13 C ATOM 1182 CD GLN A 44 21.685 20.227 34.986 1.00 37.68 C ATOM 1183 OE1 GLN A 44 21.465 19.871 33.843 1.00 37.09 O ATOM 1184 NE2 GLN A 44 22.876 20.119 35.547 1.00 40.41 N ATOM 1185 N VAL A 45 17.580 23.932 34.428 1.00 38.20 N ATOM 1186 CA VAL A 45 16.991 25.111 33.833 1.00 38.41 C ATOM 1187 C VAL A 45 16.020 25.729 34.844 1.00 38.91 C ATOM 1188 O VAL A 45 16.046 26.929 35.066 1.00 39.97 O ATOM 1189 CB VAL A 45 16.311 24.762 32.475 1.00 38.85 C ATOM 1190 CG1 VAL A 45 15.638 25.970 31.871 1.00 38.52 C ATOM 1191 CG2 VAL A 45 17.352 24.201 31.508 1.00 37.85 C ATOM 1192 N LYS A 46 15.195 24.904 35.479 1.00 38.65 N ATOM 1193 CA LYS A 46 14.241 25.376 36.463 1.00 38.92 C ATOM 1194 C LYS A 46 14.982 26.031 37.645 1.00 38.07 C ATOM 1195 O LYS A 46 14.640 27.144 38.078 1.00 37.68 O ATOM 1196 CB LYS A 46 13.325 24.222 36.916 1.00 38.93 C ATOM 1197 CG LYS A 46 12.372 24.550 38.079 1.00 41.19 C ATOM 1198 CD LYS A 46 11.343 23.448 38.340 1.00 41.03 C ATOM 1199 CE LYS A 46 10.787 23.521 39.783 1.00 47.33 C ATOM 1200 NZ LYS A 46 10.836 24.899 40.408 1.00 48.51 N ATOM 1201 N GLY A 47 15.984 25.337 38.163 1.00 37.31 N ATOM 1202 CA GLY A 47 16.780 25.847 39.291 1.00 36.90 C ATOM 1203 C GLY A 47 17.469 27.168 38.998 1.00 36.50 C ATOM 1204 O GLY A 47 17.500 28.059 39.846 1.00 36.14 O ATOM 1205 N TRP A 48 18.030 27.283 37.800 1.00 35.42 N ATOM 1206 CA TRP A 48 18.717 28.482 37.392 1.00 36.13 C ATOM 1207 C TRP A 48 17.810 29.732 37.406 1.00 35.71 C ATOM 1208 O TRP A 48 18.172 30.758 37.983 1.00 35.33 O ATOM 1209 CB TRP A 48 19.382 28.293 36.016 1.00 36.33 C ATOM 1210 CG TRP A 48 20.332 29.428 35.695 1.00 37.21 C ATOM 1211 CD1 TRP A 48 21.675 29.475 35.961 1.00 37.16 C ATOM 1212 CD2 TRP A 48 20.006 30.680 35.071 1.00 37.70 C ATOM 1213 NE1 TRP A 48 22.202 30.673 35.546 1.00 37.32 N ATOM 1214 CE2 TRP A 48 21.204 31.427 34.984 1.00 38.58 C ATOM 1215 CE3 TRP A 48 18.826 31.236 34.561 1.00 37.90 C ATOM 1216 CZ2 TRP A 48 21.247 32.711 34.433 1.00 37.80 C ATOM 1217 CZ3 TRP A 48 18.874 32.514 34.017 1.00 37.35 C ATOM 1218 CH2 TRP A 48 20.075 33.228 33.947 1.00 37.29 C ATOM 1219 N PHE A 49 16.643 29.629 36.768 1.00 35.45 N ATOM 1220 CA PHE A 49 15.650 30.704 36.740 1.00 35.18 C ATOM 1221 C PHE A 49 15.191 31.089 38.161 1.00 35.40 C ATOM 1222 O PHE A 49 15.128 32.281 38.528 1.00 35.15 O ATOM 1223 CB PHE A 49 14.458 30.274 35.883 1.00 34.48 C ATOM 1224 CG PHE A 49 14.634 30.552 34.420 1.00 34.44 C ATOM 1225 CD1 PHE A 49 13.873 31.551 33.800 1.00 32.66 C ATOM 1226 CD2 PHE A 49 15.556 29.827 33.653 1.00 34.98 C ATOM 1227 CE1 PHE A 49 14.025 31.834 32.455 1.00 35.52 C ATOM 1228 CE2 PHE A 49 15.707 30.094 32.268 1.00 35.85 C ATOM 1229 CZ PHE A 49 14.945 31.130 31.678 1.00 33.96 C ATOM 1230 N LYS A 50 14.899 30.079 38.970 1.00 35.03 N ATOM 1231 CA LYS A 50 14.538 30.298 40.371 1.00 35.21 C ATOM 1232 C LYS A 50 15.617 31.091 41.112 1.00 35.56 C ATOM 1233 O LYS A 50 15.325 32.092 41.778 1.00 35.96 O ATOM 1234 CB LYS A 50 14.331 28.968 41.081 1.00 35.01 C ATOM 1235 CG LYS A 50 14.009 29.077 42.578 1.00 34.54 C ATOM 1236 CD LYS A 50 13.667 27.680 43.097 1.00 35.50 C ATOM 1237 CE LYS A 50 13.104 27.703 44.509 1.00 34.76 C ATOM 1238 NZ LYS A 50 14.133 28.076 45.496 1.00 36.68 N ATOM 1239 N ASN A 51 16.860 30.635 41.004 1.00 35.75 N ATOM 1240 CA ASN A 51 17.975 31.260 41.730 1.00 35.63 C ATOM 1241 C ASN A 51 18.260 32.675 41.236 1.00 35.38 C ATOM 1242 O ASN A 51 18.644 33.564 42.018 1.00 35.15 O ATOM 1243 CB ASN A 51 19.228 30.406 41.618 1.00 35.31 C ATOM 1244 CG ASN A 51 19.208 29.211 42.553 1.00 36.97 C ATOM 1245 OD1 ASN A 51 18.950 29.342 43.751 1.00 38.73 O ATOM 1246 ND2 ASN A 51 19.516 28.051 42.019 1.00 36.12 N ATOM 1247 N MET A 52 18.066 32.871 39.933 1.00 35.34 N ATOM 1248 CA MET A 52 18.295 34.154 39.287 1.00 35.24 C ATOM 1249 C MET A 52 17.291 35.185 39.797 1.00 34.89 C ATOM 1250 O MET A 52 17.663 36.322 40.138 1.00 34.88 O ATOM 1251 CB MET A 52 18.230 33.983 37.761 1.00 35.84 C ATOM 1252 CG MET A 52 18.606 35.204 36.923 1.00 36.62 C ATOM 1253 SD MET A 52 20.177 36.052 37.241 1.00 41.44 S ATOM 1254 CE MET A 52 21.398 34.782 37.090 1.00 40.67 C ATOM 1255 N ARG A 53 16.024 34.782 39.869 1.00 34.19 N ATOM 1256 CA ARG A 53 14.974 35.642 40.397 1.00 33.67 C ATOM 1257 C ARG A 53 15.271 36.067 41.808 1.00 34.15 C ATOM 1258 O ARG A 53 15.095 37.241 42.137 1.00 34.33 O ATOM 1259 CB ARG A 53 13.615 34.960 40.357 1.00 33.52 C ATOM 1260 CG ARG A 53 13.002 34.881 38.985 1.00 32.90 C ATOM 1261 CD ARG A 53 11.546 34.441 39.013 1.00 31.76 C ATOM 1262 NE ARG A 53 11.282 33.118 39.608 1.00 31.57 N ATOM 1263 CZ ARG A 53 11.187 31.961 38.945 1.00 34.22 C ATOM 1264 NH1 ARG A 53 11.370 31.901 37.637 1.00 30.63 N ATOM 1265 NH2 ARG A 53 10.905 30.849 39.602 1.00 34.04 N ATOM 1266 N ALA A 54 15.697 35.109 42.644 1.00 34.74 N ATOM 1267 CA ALA A 54 16.061 35.386 44.031 1.00 35.28 C ATOM 1268 C ALA A 54 17.270 36.317 44.133 1.00 35.25 C ATOM 1269 O ALA A 54 17.360 37.131 45.056 1.00 36.48 O ATOM 1270 CB ALA A 54 16.341 34.082 44.798 1.00 35.01 C ATOM 1271 N LYS A 55 18.216 36.155 43.221 1.00 35.08 N ATOM 1272 CA LYS A 55 19.452 36.920 43.249 1.00 35.05 C ATOM 1273 C LYS A 55 19.176 38.376 42.928 1.00 35.38 C ATOM 1274 O LYS A 55 19.713 39.279 43.572 1.00 35.12 O ATOM 1275 CB LYS A 55 20.470 36.345 42.257 1.00 35.17 C ATOM 1276 CG LYS A 55 21.801 37.117 42.235 1.00 35.91 C ATOM 1277 CD LYS A 55 22.776 36.477 41.280 1.00 35.71 C ATOM 1278 CE LYS A 55 23.997 37.344 41.096 1.00 36.79 C ATOM 1279 NZ LYS A 55 24.759 36.891 39.898 1.00 38.37 N ATOM 1280 N ILE A 56 18.341 38.597 41.920 1.00 35.89 N ATOM 1281 CA ILE A 56 17.865 39.927 41.603 1.00 36.74 C ATOM 1282 C ILE A 56 17.065 40.513 42.776 1.00 37.60 C ATOM 1283 O ILE A 56 17.355 41.604 43.235 1.00 37.95 O ATOM 1284 CB ILE A 56 17.065 39.941 40.282 1.00 36.61 C ATOM 1285 CG1 ILE A 56 18.010 39.603 39.130 1.00 34.87 C ATOM 1286 CG2 ILE A 56 16.421 41.325 40.087 1.00 37.89 C ATOM 1287 CD1 ILE A 56 17.361 39.394 37.820 1.00 34.12 C ATOM 1288 N LYS A 57 16.097 39.765 43.287 1.00 38.88 N ATOM 1289 CA LYS A 57 15.285 40.214 44.426 1.00 40.06 C ATOM 1290 C LYS A 57 16.143 40.675 45.609 1.00 40.85 C ATOM 1291 O LYS A 57 15.853 41.714 46.206 1.00 41.28 O ATOM 1292 CB LYS A 57 14.295 39.122 44.858 1.00 39.96 C ATOM 1293 CG LYS A 57 13.045 39.652 45.556 1.00 40.64 C ATOM 1294 N LYS A 58 17.206 39.928 45.927 1.00 41.81 N ATOM 1295 CA LYS A 58 18.086 40.262 47.066 1.00 42.98 C ATOM 1296 C LYS A 58 18.856 41.567 46.905 1.00 43.72 C ATOM 1297 O LYS A 58 19.302 42.141 47.897 1.00 44.27 O ATOM 1298 CB LYS A 58 19.064 39.127 47.385 1.00 42.75 C ATOM 1299 CG LYS A 58 18.508 38.085 48.324 1.00 42.97 C ATOM 1300 N SER A 59 19.020 42.022 45.663 1.00 44.66 N ATOM 1301 CA SER A 59 19.546 43.364 45.386 1.00 45.35 C ATOM 1302 C SER A 59 18.470 44.461 45.536 1.00 45.71 C ATOM 1303 O SER A 59 18.758 45.547 46.031 1.00 45.86 O ATOM 1304 CB SER A 59 20.199 43.408 43.998 1.00 45.32 C ATOM 1305 OG SER A 59 19.238 43.332 42.953 1.00 45.33 O ATOM 1306 N THR A 60 17.237 44.176 45.108 1.00 46.28 N ATOM 1307 CA THR A 60 16.128 45.136 45.226 1.00 46.77 C ATOM 1308 C THR A 60 14.809 44.532 44.747 1.00 47.30 C ATOM 1309 O THR A 60 14.653 44.216 43.565 1.00 47.77 O ATOM 1310 OXT THR A 60 13.863 44.337 45.514 1.00 47.34 O TER 1311 THR A 60 ATOM 1312 N LYS B 2 4.055 6.547 49.707 1.00 45.64 N ATOM 1313 CA LYS B 2 3.099 7.622 50.099 1.00 45.62 C ATOM 1314 C LYS B 2 2.669 7.410 51.543 1.00 45.53 C ATOM 1315 O LYS B 2 2.583 6.265 52.011 1.00 45.33 O ATOM 1316 CB LYS B 2 1.862 7.624 49.193 1.00 45.60 C ATOM 1317 CG LYS B 2 2.085 8.156 47.780 1.00 46.68 C ATOM 1318 CD LYS B 2 0.921 7.760 46.876 1.00 48.20 C ATOM 1319 CE LYS B 2 1.052 8.371 45.494 1.00 49.76 C ATOM 1320 NZ LYS B 2 0.370 7.540 44.444 1.00 50.86 N ATOM 1321 N ARG B 3 2.400 8.523 52.227 1.00 44.96 N ATOM 1322 CA ARG B 3 1.915 8.536 53.604 1.00 44.68 C ATOM 1323 C ARG B 3 0.485 7.970 53.682 1.00 43.80 C ATOM 1324 O ARG B 3 -0.388 8.391 52.915 1.00 43.53 O ATOM 1325 CB ARG B 3 1.980 9.971 54.178 1.00 44.21 C ATOM 1326 CG ARG B 3 1.473 10.094 55.620 1.00 45.38 C ATOM 1327 CD ARG B 3 1.828 11.441 56.284 1.00 46.22 C ATOM 1328 NE ARG B 3 3.247 11.743 56.122 1.00 48.58 N ATOM 1329 CZ ARG B 3 4.204 11.390 56.976 1.00 49.38 C ATOM 1330 NH1 ARG B 3 3.898 10.737 58.091 1.00 48.90 N ATOM 1331 NH2 ARG B 3 5.471 11.716 56.719 1.00 48.07 N ATOM 1332 N PRO B 4 0.249 7.001 54.592 1.00 43.25 N ATOM 1333 CA PRO B 4 -1.108 6.491 54.822 1.00 42.86 C ATOM 1334 C PRO B 4 -2.107 7.566 55.265 1.00 42.31 C ATOM 1335 O PRO B 4 -1.746 8.534 55.916 1.00 42.05 O ATOM 1336 CB PRO B 4 -0.916 5.467 55.953 1.00 42.69 C ATOM 1337 CG PRO B 4 0.515 5.083 55.879 1.00 42.56 C ATOM 1338 CD PRO B 4 1.241 6.301 55.432 1.00 43.16 C ATOM 1339 N ARG B 5 -3.366 7.377 54.901 1.00 42.09 N ATOM 1340 CA ARG B 5 -4.427 8.233 55.386 1.00 41.35 C ATOM 1341 C ARG B 5 -4.855 7.702 56.744 1.00 41.01 C ATOM 1342 O ARG B 5 -4.960 6.500 56.942 1.00 41.03 O ATOM 1343 CB ARG B 5 -5.600 8.205 54.417 1.00 41.57 C ATOM 1344 CG ARG B 5 -5.261 8.642 53.005 1.00 40.84 C ATOM 1345 CD ARG B 5 -6.532 9.016 52.291 1.00 39.00 C ATOM 1346 NE ARG B 5 -6.410 8.935 50.839 1.00 35.64 N ATOM 1347 CZ ARG B 5 -7.443 8.966 50.002 1.00 34.57 C ATOM 1348 NH1 ARG B 5 -8.681 9.064 50.473 1.00 33.40 N ATOM 1349 NH2 ARG B 5 -7.241 8.891 48.691 1.00 32.57 N ATOM 1350 N THR B 6 -5.098 8.596 57.687 1.00 40.37 N ATOM 1351 CA THR B 6 -5.541 8.167 59.001 1.00 40.29 C ATOM 1352 C THR B 6 -6.952 8.692 59.225 1.00 39.69 C ATOM 1353 O THR B 6 -7.450 9.491 58.433 1.00 39.91 O ATOM 1354 CB THR B 6 -4.563 8.650 60.124 1.00 40.05 C ATOM 1355 OG1 THR B 6 -4.886 7.985 61.341 1.00 43.14 O ATOM 1356 CG2 THR B 6 -4.683 10.124 60.367 1.00 39.22 C ATOM 1357 N ALA B 7 -7.594 8.251 60.295 1.00 38.60 N ATOM 1358 CA ALA B 7 -8.818 8.882 60.741 1.00 38.24 C ATOM 1359 C ALA B 7 -8.538 9.551 62.082 1.00 37.92 C ATOM 1360 O ALA B 7 -7.837 8.980 62.918 1.00 37.90 O ATOM 1361 CB ALA B 7 -9.931 7.863 60.863 1.00 37.82 C ATOM 1362 N PHE B 8 -9.072 10.759 62.276 1.00 37.02 N ATOM 1363 CA PHE B 8 -8.939 11.456 63.553 1.00 36.21 C ATOM 1364 C PHE B 8 -10.129 11.102 64.437 1.00 35.56 C ATOM 1365 O PHE B 8 -11.272 10.998 63.960 1.00 35.86 O ATOM 1366 CB PHE B 8 -8.804 12.984 63.381 1.00 36.01 C ATOM 1367 CG PHE B 8 -7.693 13.405 62.435 1.00 38.57 C ATOM 1368 CD1 PHE B 8 -6.345 13.256 62.790 1.00 41.42 C ATOM 1369 CD2 PHE B 8 -7.990 13.970 61.208 1.00 37.92 C ATOM 1370 CE1 PHE B 8 -5.325 13.627 61.911 1.00 41.27 C ATOM 1371 CE2 PHE B 8 -6.981 14.344 60.331 1.00 40.87 C ATOM 1372 CZ PHE B 8 -5.651 14.187 60.681 1.00 39.82 C ATOM 1373 N SER B 9 -9.861 10.864 65.714 1.00 34.54 N ATOM 1374 CA SER B 9 -10.943 10.624 66.677 1.00 35.36 C ATOM 1375 C SER B 9 -11.669 11.949 66.900 1.00 35.49 C ATOM 1376 O SER B 9 -11.157 12.998 66.521 1.00 35.11 O ATOM 1377 CB SER B 9 -10.391 10.109 67.998 1.00 34.27 C ATOM 1378 OG SER B 9 -9.531 11.074 68.583 1.00 35.16 O ATOM 1379 N SER B 10 -12.858 11.897 67.499 1.00 36.53 N ATOM 1380 CA SER B 10 -13.597 13.114 67.770 1.00 37.42 C ATOM 1381 C SER B 10 -12.839 14.055 68.717 1.00 37.16 C ATOM 1382 O SER B 10 -12.972 15.263 68.593 1.00 37.68 O ATOM 1383 CB SER B 10 -15.002 12.804 68.293 1.00 37.45 C ATOM 1384 OG SER B 10 -14.912 12.034 69.463 1.00 40.23 O ATOM 1385 N GLU B 11 -12.028 13.503 69.623 1.00 36.86 N ATOM 1386 CA GLU B 11 -11.223 14.310 70.551 1.00 36.38 C ATOM 1387 C GLU B 11 -10.065 15.012 69.865 1.00 36.08 C ATOM 1388 O GLU B 11 -9.756 16.183 70.169 1.00 35.50 O ATOM 1389 CB GLU B 11 -10.706 13.452 71.704 1.00 36.89 C ATOM 1390 CG GLU B 11 -9.871 14.209 72.739 1.00 38.58 C ATOM 1391 CD GLU B 11 -9.788 13.464 74.057 1.00 43.20 C ATOM 1392 N GLN B 12 -9.433 14.316 68.921 1.00 35.13 N ATOM 1393 CA GLN B 12 -8.384 14.928 68.122 1.00 34.65 C ATOM 1394 C GLN B 12 -8.950 16.053 67.257 1.00 35.05 C ATOM 1395 O GLN B 12 -8.365 17.114 67.196 1.00 34.72 O ATOM 1396 CB GLN B 12 -7.655 13.893 67.271 1.00 34.87 C ATOM 1397 CG GLN B 12 -6.812 12.901 68.095 1.00 32.54 C ATOM 1398 CD GLN B 12 -6.242 11.759 67.247 1.00 34.35 C ATOM 1399 OE1 GLN B 12 -5.121 11.327 67.473 1.00 35.31 O ATOM 1400 NE2 GLN B 12 -7.014 11.275 66.272 1.00 32.21 N ATOM 1401 N LEU B 13 -10.093 15.809 66.614 1.00 35.14 N ATOM 1402 CA LEU B 13 -10.788 16.815 65.818 1.00 35.89 C ATOM 1403 C LEU B 13 -11.232 18.021 66.648 1.00 36.02 C ATOM 1404 O LEU B 13 -11.077 19.141 66.210 1.00 36.22 O ATOM 1405 CB LEU B 13 -12.008 16.216 65.109 1.00 36.06 C ATOM 1406 CG LEU B 13 -11.646 15.275 63.953 1.00 37.66 C ATOM 1407 CD1 LEU B 13 -12.870 14.515 63.429 1.00 38.97 C ATOM 1408 CD2 LEU B 13 -10.932 16.027 62.850 1.00 35.68 C ATOM 1409 N ALA B 14 -11.785 17.787 67.833 1.00 36.57 N ATOM 1410 CA ALA B 14 -12.192 18.896 68.690 1.00 37.42 C ATOM 1411 C ALA B 14 -11.022 19.814 69.045 1.00 37.84 C ATOM 1412 O ALA B 14 -11.154 21.039 69.003 1.00 38.40 O ATOM 1413 CB ALA B 14 -12.895 18.378 69.955 1.00 36.41 C ATOM 1414 N ARG B 15 -9.892 19.209 69.395 1.00 38.79 N ATOM 1415 CA ARG B 15 -8.651 19.904 69.727 1.00 39.91 C ATOM 1416 C ARG B 15 -7.984 20.635 68.547 1.00 40.14 C ATOM 1417 O ARG B 15 -7.531 21.773 68.690 1.00 40.71 O ATOM 1418 CB ARG B 15 -7.665 18.914 70.330 1.00 40.03 C ATOM 1419 CG ARG B 15 -6.344 19.527 70.728 1.00 43.97 C ATOM 1420 CD ARG B 15 -6.495 20.537 71.865 1.00 50.11 C ATOM 1421 NE ARG B 15 -5.275 21.335 72.001 1.00 54.78 N ATOM 1422 CZ ARG B 15 -4.207 20.965 72.709 1.00 56.40 C ATOM 1423 NH1 ARG B 15 -4.193 19.812 73.381 1.00 54.93 N ATOM 1424 NH2 ARG B 15 -3.149 21.764 72.750 1.00 57.98 N ATOM 1425 N LEU B 16 -7.925 19.996 67.386 1.00 40.13 N ATOM 1426 CA LEU B 16 -7.431 20.668 66.166 1.00 40.07 C ATOM 1427 C LEU B 16 -8.271 21.894 65.796 1.00 40.69 C ATOM 1428 O LEU B 16 -7.726 22.935 65.389 1.00 41.58 O ATOM 1429 CB LEU B 16 -7.360 19.674 64.997 1.00 39.47 C ATOM 1430 CG LEU B 16 -6.290 18.583 65.076 1.00 38.08 C ATOM 1431 CD1 LEU B 16 -6.674 17.384 64.242 1.00 36.72 C ATOM 1432 CD2 LEU B 16 -4.882 19.094 64.671 1.00 35.78 C ATOM 1433 N LYS B 17 -9.591 21.776 65.947 1.00 40.41 N ATOM 1434 CA LYS B 17 -10.512 22.857 65.598 1.00 40.66 C ATOM 1435 C LYS B 17 -10.415 24.028 66.581 1.00 40.04 C ATOM 1436 O LYS B 17 -10.526 25.191 66.206 1.00 39.75 O ATOM 1437 CB LYS B 17 -11.948 22.339 65.529 1.00 40.06 C ATOM 1438 CG LYS B 17 -12.290 21.574 64.253 1.00 41.10 C ATOM 1439 CD LYS B 17 -13.740 21.047 64.294 1.00 43.32 C ATOM 1440 CE LYS B 17 -14.039 20.186 63.059 1.00 48.12 C ATOM 1441 NZ LYS B 17 -15.184 19.228 63.285 1.00 49.85 N ATOM 1442 N ARG B 18 -10.192 23.702 67.842 1.00 39.58 N ATOM 1443 CA ARG B 18 -10.029 24.681 68.885 1.00 39.46 C ATOM 1444 C ARG B 18 -8.770 25.530 68.649 1.00 38.90 C ATOM 1445 O ARG B 18 -8.762 26.721 68.903 1.00 38.70 O ATOM 1446 CB ARG B 18 -9.966 23.938 70.220 1.00 39.55 C ATOM 1447 CG ARG B 18 -9.240 24.650 71.325 1.00 42.46 C ATOM 1448 CD ARG B 18 -8.992 23.682 72.463 1.00 48.55 C ATOM 1449 NE ARG B 18 -8.840 24.393 73.729 1.00 53.10 N ATOM 1450 CZ ARG B 18 -8.336 23.855 74.835 1.00 54.81 C ATOM 1451 NH1 ARG B 18 -7.921 22.586 74.835 1.00 55.17 N ATOM 1452 NH2 ARG B 18 -8.245 24.593 75.937 1.00 54.66 N ATOM 1453 N GLU B 19 -7.704 24.886 68.199 1.00 38.84 N ATOM 1454 CA GLU B 19 -6.449 25.544 67.831 1.00 38.95 C ATOM 1455 C GLU B 19 -6.637 26.357 66.565 1.00 37.40 C ATOM 1456 O GLU B 19 -6.214 27.505 66.487 1.00 36.52 O ATOM 1457 CB GLU B 19 -5.339 24.508 67.602 1.00 39.09 C ATOM 1458 CG GLU B 19 -4.924 23.758 68.872 1.00 43.21 C ATOM 1459 CD GLU B 19 -4.322 24.678 69.930 1.00 46.30 C ATOM 1460 OE1 GLU B 19 -3.562 25.593 69.544 1.00 48.32 O ATOM 1461 OE2 GLU B 19 -4.632 24.499 71.143 1.00 47.87 O ATOM 1462 N PHE B 20 -7.271 25.741 65.574 1.00 36.99 N ATOM 1463 CA PHE B 20 -7.565 26.406 64.300 1.00 35.57 C ATOM 1464 C PHE B 20 -8.386 27.689 64.482 1.00 34.81 C ATOM 1465 O PHE B 20 -8.207 28.623 63.735 1.00 35.38 O ATOM 1466 CB PHE B 20 -8.265 25.440 63.360 1.00 35.55 C ATOM 1467 CG PHE B 20 -8.451 25.965 61.948 1.00 36.63 C ATOM 1468 CD1 PHE B 20 -7.431 25.834 61.000 1.00 34.90 C ATOM 1469 CD2 PHE B 20 -9.655 26.540 61.563 1.00 36.54 C ATOM 1470 CE1 PHE B 20 -7.599 26.288 59.706 1.00 33.73 C ATOM 1471 CE2 PHE B 20 -9.842 27.016 60.248 1.00 35.52 C ATOM 1472 CZ PHE B 20 -8.818 26.879 59.327 1.00 35.79 C ATOM 1473 N ASN B 21 -9.275 27.713 65.471 1.00 34.29 N ATOM 1474 CA ASN B 21 -10.139 28.860 65.790 1.00 34.64 C ATOM 1475 C ASN B 21 -9.353 30.042 66.377 1.00 33.55 C ATOM 1476 O ASN B 21 -9.839 31.165 66.397 1.00 34.65 O ATOM 1477 CB ASN B 21 -11.296 28.402 66.732 1.00 34.70 C ATOM 1478 CG ASN B 21 -12.281 29.525 67.085 1.00 38.17 C ATOM 1479 OD1 ASN B 21 -13.082 29.970 66.253 1.00 40.68 O ATOM 1480 ND2 ASN B 21 -12.250 29.961 68.346 1.00 41.48 N ATOM 1481 N GLU B 22 -8.136 29.788 66.838 1.00 32.97 N ATOM 1482 CA GLU B 22 -7.252 30.827 67.356 1.00 32.50 C ATOM 1483 C GLU B 22 -6.316 31.376 66.276 1.00 31.92 C ATOM 1484 O GLU B 22 -6.130 32.594 66.140 1.00 29.36 O ATOM 1485 CB GLU B 22 -6.434 30.311 68.539 1.00 32.78 C ATOM 1486 CG GLU B 22 -7.258 29.845 69.722 1.00 33.61 C ATOM 1487 CD GLU B 22 -8.216 30.902 70.249 1.00 35.53 C ATOM 1488 OE1 GLU B 22 -7.851 32.115 70.302 1.00 34.36 O ATOM 1489 OE2 GLU B 22 -9.345 30.508 70.632 1.00 35.93 O ATOM 1490 N ASN B 23 -5.771 30.449 65.501 1.00 32.06 N ATOM 1491 CA ASN B 23 -4.781 30.729 64.487 1.00 32.66 C ATOM 1492 C ASN B 23 -4.835 29.593 63.446 1.00 34.25 C ATOM 1493 O ASN B 23 -4.667 28.421 63.793 1.00 34.85 O ATOM 1494 CB ASN B 23 -3.412 30.801 65.170 1.00 32.24 C ATOM 1495 CG ASN B 23 -2.328 31.356 64.270 1.00 31.10 C ATOM 1496 OD1 ASN B 23 -2.508 31.467 63.067 1.00 29.23 O ATOM 1497 ND2 ASN B 23 -1.191 31.717 64.865 1.00 26.72 N ATOM 1498 N ARG B 24 -5.089 29.955 62.193 1.00 34.27 N ATOM 1499 CA ARG B 24 -5.213 29.010 61.079 1.00 35.05 C ATOM 1500 C ARG B 24 -3.865 28.531 60.542 1.00 35.40 C ATOM 1501 O ARG B 24 -3.823 27.725 59.638 1.00 34.88 O ATOM 1502 CB ARG B 24 -5.999 29.665 59.939 1.00 35.64 C ATOM 1503 CG ARG B 24 -7.432 30.058 60.314 1.00 34.73 C ATOM 1504 CD ARG B 24 -8.253 30.361 59.080 1.00 37.77 C ATOM 1505 NE ARG B 24 -9.568 30.871 59.466 1.00 42.91 N ATOM 1506 CZ ARG B 24 -10.495 31.333 58.629 1.00 46.31 C ATOM 1507 NH1 ARG B 24 -10.281 31.354 57.320 1.00 47.69 N ATOM 1508 NH2 ARG B 24 -11.654 31.778 59.107 1.00 47.47 N ATOM 1509 N TYR B 25 -2.776 29.024 61.123 1.00 36.36 N ATOM 1510 CA TYR B 25 -1.415 28.681 60.706 1.00 36.93 C ATOM 1511 C TYR B 25 -0.612 28.184 61.889 1.00 37.82 C ATOM 1512 O TYR B 25 -0.701 28.723 62.985 1.00 38.98 O ATOM 1513 CB TYR B 25 -0.710 29.904 60.088 1.00 36.51 C ATOM 1514 CG TYR B 25 -1.347 30.365 58.792 1.00 35.85 C ATOM 1515 CD1 TYR B 25 -1.026 29.747 57.568 1.00 37.30 C ATOM 1516 CD2 TYR B 25 -2.296 31.390 58.789 1.00 35.94 C ATOM 1517 CE1 TYR B 25 -1.622 30.164 56.380 1.00 37.28 C ATOM 1518 CE2 TYR B 25 -2.905 31.809 57.624 1.00 36.39 C ATOM 1519 CZ TYR B 25 -2.566 31.194 56.417 1.00 37.50 C ATOM 1520 OH TYR B 25 -3.172 31.604 55.252 1.00 36.92 O ATOM 1521 N LEU B 26 0.219 27.181 61.653 1.00 39.19 N ATOM 1522 CA LEU B 26 0.995 26.550 62.712 1.00 39.74 C ATOM 1523 C LEU B 26 2.440 26.915 62.612 1.00 39.46 C ATOM 1524 O LEU B 26 3.035 26.668 61.584 1.00 41.71 O ATOM 1525 CB LEU B 26 0.923 25.035 62.534 1.00 40.16 C ATOM 1526 CG LEU B 26 -0.154 24.195 63.160 1.00 41.45 C ATOM 1527 CD1 LEU B 26 0.070 22.784 62.639 1.00 45.64 C ATOM 1528 CD2 LEU B 26 -0.033 24.208 64.643 1.00 40.18 C ATOM 1529 N THR B 27 3.035 27.469 63.666 1.00 38.84 N ATOM 1530 CA THR B 27 4.483 27.552 63.729 1.00 37.34 C ATOM 1531 C THR B 27 5.024 26.125 63.962 1.00 38.15 C ATOM 1532 O THR B 27 4.244 25.183 64.220 1.00 38.04 O ATOM 1533 CB THR B 27 4.962 28.461 64.871 1.00 37.96 C ATOM 1534 OG1 THR B 27 4.415 27.995 66.111 1.00 36.85 O ATOM 1535 CG2 THR B 27 4.573 29.936 64.651 1.00 35.83 C ATOM 1536 N GLU B 28 6.346 25.985 63.868 1.00 38.03 N ATOM 1537 CA GLU B 28 7.060 24.748 64.111 1.00 38.71 C ATOM 1538 C GLU B 28 6.845 24.230 65.533 1.00 38.43 C ATOM 1539 O GLU B 28 6.462 23.069 65.685 1.00 38.12 O ATOM 1540 CB GLU B 28 8.558 24.928 63.810 1.00 38.68 C ATOM 1541 CG GLU B 28 9.442 23.718 64.169 1.00 40.16 C ATOM 1542 CD GLU B 28 10.898 23.913 63.755 1.00 41.10 C ATOM 1543 OE1 GLU B 28 11.545 24.885 64.216 1.00 44.70 O ATOM 1544 OE2 GLU B 28 11.402 23.088 62.967 1.00 44.65 O ATOM 1545 N ARG B 29 7.108 25.081 66.547 1.00 37.96 N ATOM 1546 CA ARG B 29 6.879 24.759 67.960 1.00 37.86 C ATOM 1547 C ARG B 29 5.447 24.282 68.214 1.00 37.99 C ATOM 1548 O ARG B 29 5.248 23.200 68.778 1.00 38.14 O ATOM 1549 CB ARG B 29 7.216 25.955 68.880 1.00 38.00 C ATOM 1550 CG ARG B 29 6.691 25.812 70.336 1.00 38.44 C ATOM 1551 CD ARG B 29 7.126 26.937 71.292 1.00 39.19 C ATOM 1552 NE ARG B 29 6.414 28.201 71.082 1.00 41.50 N ATOM 1553 N ARG B 30 4.462 25.080 67.789 1.00 37.31 N ATOM 1554 CA ARG B 30 3.038 24.733 67.922 1.00 38.09 C ATOM 1555 C ARG B 30 2.690 23.373 67.260 1.00 37.01 C ATOM 1556 O ARG B 30 1.934 22.587 67.820 1.00 36.52 O ATOM 1557 CB ARG B 30 2.158 25.867 67.384 1.00 36.98 C ATOM 1558 CG ARG B 30 0.715 25.910 67.920 1.00 40.27 C ATOM 1559 CD ARG B 30 -0.002 27.324 67.653 1.00 41.10 C ATOM 1560 NE ARG B 30 -1.439 27.182 67.320 1.00 44.87 N ATOM 1561 CZ ARG B 30 -1.972 27.361 66.101 1.00 45.34 C ATOM 1562 NH1 ARG B 30 -3.267 27.186 65.890 1.00 45.74 N ATOM 1563 NH2 ARG B 30 -1.221 27.724 65.083 1.00 46.70 N ATOM 1564 N ARG B 31 3.257 23.097 66.087 1.00 36.51 N ATOM 1565 CA ARG B 31 2.998 21.824 65.397 1.00 36.33 C ATOM 1566 C ARG B 31 3.599 20.628 66.170 1.00 35.78 C ATOM 1567 O ARG B 31 2.948 19.605 66.338 1.00 35.83 O ATOM 1568 CB ARG B 31 3.505 21.870 63.955 1.00 36.28 C ATOM 1569 CG ARG B 31 3.163 20.615 63.133 1.00 37.41 C ATOM 1570 CD ARG B 31 3.874 20.610 61.813 1.00 35.31 C ATOM 1571 NE ARG B 31 5.320 20.577 61.987 1.00 36.69 N ATOM 1572 CZ ARG B 31 6.170 21.472 61.485 1.00 39.42 C ATOM 1573 NH1 ARG B 31 5.728 22.499 60.772 1.00 40.72 N ATOM 1574 NH2 ARG B 31 7.470 21.350 61.711 1.00 40.78 N ATOM 1575 N GLN B 32 4.825 20.774 66.659 1.00 35.96 N ATOM 1576 CA GLN B 32 5.440 19.754 67.501 1.00 36.28 C ATOM 1577 C GLN B 32 4.616 19.521 68.768 1.00 35.90 C ATOM 1578 O GLN B 32 4.359 18.395 69.143 1.00 35.50 O ATOM 1579 CB GLN B 32 6.852 20.172 67.898 1.00 36.78 C ATOM 1580 CG GLN B 32 7.815 20.376 66.741 1.00 37.57 C ATOM 1581 CD GLN B 32 9.113 21.043 67.184 1.00 37.24 C ATOM 1582 OE1 GLN B 32 10.146 20.892 66.531 1.00 38.66 O ATOM 1583 NE2 GLN B 32 9.062 21.787 68.296 1.00 36.94 N ATOM 1584 N GLN B 33 4.219 20.599 69.431 1.00 36.37 N ATOM 1585 CA GLN B 33 3.488 20.502 70.689 1.00 37.06 C ATOM 1586 C GLN B 33 2.148 19.825 70.469 1.00 37.66 C ATOM 1587 O GLN B 33 1.788 18.916 71.210 1.00 37.82 O ATOM 1588 CB GLN B 33 3.324 21.890 71.332 1.00 36.93 C ATOM 1589 CG GLN B 33 4.622 22.382 72.034 1.00 37.14 C ATOM 1590 CD GLN B 33 4.545 23.807 72.610 1.00 37.83 C ATOM 1591 OE1 GLN B 33 3.730 24.634 72.194 1.00 36.51 O ATOM 1592 NE2 GLN B 33 5.420 24.091 73.572 1.00 37.81 N ATOM 1593 N LEU B 34 1.436 20.255 69.429 1.00 37.71 N ATOM 1594 CA LEU B 34 0.107 19.749 69.116 1.00 39.09 C ATOM 1595 C LEU B 34 0.107 18.299 68.629 1.00 38.89 C ATOM 1596 O LEU B 34 -0.760 17.503 69.000 1.00 39.86 O ATOM 1597 CB LEU B 34 -0.572 20.672 68.097 1.00 39.22 C ATOM 1598 CG LEU B 34 -2.062 20.563 67.778 1.00 41.28 C ATOM 1599 CD1 LEU B 34 -2.928 20.500 69.050 1.00 42.02 C ATOM 1600 CD2 LEU B 34 -2.446 21.747 66.933 1.00 38.96 C ATOM 1601 N SER B 35 1.104 17.938 67.832 1.00 38.98 N ATOM 1602 CA SER B 35 1.241 16.565 67.373 1.00 38.87 C ATOM 1603 C SER B 35 1.572 15.634 68.540 1.00 38.89 C ATOM 1604 O SER B 35 1.053 14.519 68.638 1.00 38.44 O ATOM 1605 CB SER B 35 2.321 16.487 66.307 1.00 38.91 C ATOM 1606 OG SER B 35 2.076 17.457 65.294 1.00 40.57 O ATOM 1607 N SER B 36 2.443 16.089 69.429 1.00 38.74 N ATOM 1608 CA SER B 36 2.825 15.273 70.580 1.00 39.01 C ATOM 1609 C SER B 36 1.653 15.074 71.543 1.00 39.05 C ATOM 1610 O SER B 36 1.446 13.976 72.038 1.00 39.70 O ATOM 1611 CB SER B 36 4.019 15.886 71.294 1.00 38.62 C ATOM 1612 OG SER B 36 4.086 15.448 72.637 1.00 40.79 O ATOM 1613 N GLU B 37 0.888 16.131 71.799 1.00 38.78 N ATOM 1614 CA GLU B 37 -0.259 16.050 72.716 1.00 39.04 C ATOM 1615 C GLU B 37 -1.402 15.158 72.208 1.00 37.98 C ATOM 1616 O GLU B 37 -2.022 14.474 73.001 1.00 37.47 O ATOM 1617 CB GLU B 37 -0.772 17.459 73.059 1.00 38.70 C ATOM 1618 CG GLU B 37 0.135 18.200 74.055 1.00 40.32 C ATOM 1619 CD GLU B 37 -0.122 19.706 74.156 1.00 41.42 C ATOM 1620 OE1 GLU B 37 -0.935 20.266 73.372 1.00 46.18 O ATOM 1621 OE2 GLU B 37 0.520 20.343 75.022 1.00 43.68 O ATOM 1622 N LEU B 38 -1.659 15.181 70.895 1.00 37.09 N ATOM 1623 CA LEU B 38 -2.721 14.391 70.234 1.00 36.77 C ATOM 1624 C LEU B 38 -2.343 12.976 69.783 1.00 36.74 C ATOM 1625 O LEU B 38 -3.223 12.196 69.366 1.00 36.78 O ATOM 1626 CB LEU B 38 -3.254 15.143 69.005 1.00 36.91 C ATOM 1627 CG LEU B 38 -3.890 16.506 69.301 1.00 37.86 C ATOM 1628 CD1 LEU B 38 -4.512 17.081 68.032 1.00 37.77 C ATOM 1629 CD2 LEU B 38 -4.928 16.324 70.409 1.00 39.23 C ATOM 1630 N GLY B 39 -1.048 12.668 69.824 1.00 36.09 N ATOM 1631 CA GLY B 39 -0.510 11.385 69.377 1.00 35.29 C ATOM 1632 C GLY B 39 -0.527 11.248 67.865 1.00 35.31 C ATOM 1633 O GLY B 39 -0.692 10.157 67.340 1.00 34.94 O ATOM 1634 N LEU B 40 -0.341 12.362 67.169 1.00 35.79 N ATOM 1635 CA LEU B 40 -0.472 12.428 65.727 1.00 36.33 C ATOM 1636 C LEU B 40 0.883 12.727 65.097 1.00 36.51 C ATOM 1637 O LEU B 40 1.682 13.451 65.689 1.00 37.70 O ATOM 1638 CB LEU B 40 -1.444 13.551 65.341 1.00 36.44 C ATOM 1639 CG LEU B 40 -2.948 13.314 65.463 1.00 36.39 C ATOM 1640 CD1 LEU B 40 -3.722 14.572 65.126 1.00 33.27 C ATOM 1641 CD2 LEU B 40 -3.381 12.139 64.580 1.00 36.93 C ATOM 1642 N ASN B 41 1.142 12.184 63.912 1.00 35.72 N ATOM 1643 CA ASN B 41 2.335 12.570 63.164 1.00 36.12 C ATOM 1644 C ASN B 41 2.275 14.053 62.809 1.00 35.75 C ATOM 1645 O ASN B 41 1.240 14.546 62.410 1.00 36.43 O ATOM 1646 CB ASN B 41 2.495 11.727 61.908 1.00 35.64 C ATOM 1647 CG ASN B 41 3.887 11.835 61.300 1.00 37.23 C ATOM 1648 OD1 ASN B 41 4.279 12.890 60.781 1.00 37.20 O ATOM 1649 ND2 ASN B 41 4.625 10.736 61.326 1.00 35.23 N ATOM 1650 N GLU B 42 3.384 14.763 62.959 1.00 36.04 N ATOM 1651 CA GLU B 42 3.436 16.189 62.580 1.00 36.17 C ATOM 1652 C GLU B 42 2.957 16.457 61.146 1.00 35.97 C ATOM 1653 O GLU B 42 2.360 17.490 60.882 1.00 36.45 O ATOM 1654 CB GLU B 42 4.843 16.737 62.785 1.00 35.44 C ATOM 1655 CG GLU B 42 5.225 16.867 64.245 1.00 37.22 C ATOM 1656 CD GLU B 42 6.613 17.493 64.448 1.00 37.15 C ATOM 1657 OE1 GLU B 42 6.934 18.465 63.761 1.00 36.84 O ATOM 1658 OE2 GLU B 42 7.385 17.009 65.296 1.00 40.83 O ATOM 1659 N ALA B 43 3.182 15.520 60.230 1.00 35.80 N ATOM 1660 CA ALA B 43 2.656 15.655 58.858 1.00 36.18 C ATOM 1661 C ALA B 43 1.132 15.563 58.715 1.00 36.69 C ATOM 1662 O ALA B 43 0.545 16.186 57.814 1.00 37.13 O ATOM 1663 CB ALA B 43 3.341 14.698 57.904 1.00 35.24 C ATOM 1664 N GLN B 44 0.493 14.798 59.587 1.00 36.93 N ATOM 1665 CA GLN B 44 -0.969 14.706 59.593 1.00 37.48 C ATOM 1666 C GLN B 44 -1.598 16.004 60.138 1.00 38.05 C ATOM 1667 O GLN B 44 -2.619 16.459 59.625 1.00 37.71 O ATOM 1668 CB GLN B 44 -1.453 13.479 60.390 1.00 36.81 C ATOM 1669 CG GLN B 44 -0.984 12.111 59.809 1.00 37.33 C ATOM 1670 CD GLN B 44 -1.763 11.645 58.572 1.00 38.47 C ATOM 1671 OE1 GLN B 44 -2.777 12.239 58.186 1.00 40.19 O ATOM 1672 NE2 GLN B 44 -1.307 10.548 57.967 1.00 37.69 N ATOM 1673 N VAL B 45 -0.980 16.555 61.185 1.00 38.41 N ATOM 1674 CA VAL B 45 -1.350 17.843 61.767 1.00 38.61 C ATOM 1675 C VAL B 45 -1.188 19.004 60.766 1.00 39.31 C ATOM 1676 O VAL B 45 -2.123 19.779 60.559 1.00 39.48 O ATOM 1677 CB VAL B 45 -0.550 18.116 63.062 1.00 38.65 C ATOM 1678 CG1 VAL B 45 -0.825 19.528 63.600 1.00 37.45 C ATOM 1679 CG2 VAL B 45 -0.905 17.050 64.140 1.00 37.98 C ATOM 1680 N LYS B 46 -0.036 19.110 60.114 1.00 39.03 N ATOM 1681 CA LYS B 46 0.113 20.228 59.186 1.00 39.32 C ATOM 1682 C LYS B 46 -0.769 20.078 57.964 1.00 38.57 C ATOM 1683 O LYS B 46 -1.243 21.066 57.419 1.00 38.06 O ATOM 1684 CB LYS B 46 1.573 20.565 58.848 1.00 38.90 C ATOM 1685 CG LYS B 46 2.356 19.581 58.118 1.00 40.49 C ATOM 1686 CD LYS B 46 3.662 20.239 57.667 1.00 42.82 C ATOM 1687 CE LYS B 46 4.639 19.218 57.129 1.00 45.60 C ATOM 1688 NZ LYS B 46 6.041 19.727 57.300 1.00 49.00 N ATOM 1689 N GLY B 47 -1.021 18.829 57.588 1.00 37.76 N ATOM 1690 CA GLY B 47 -1.919 18.525 56.494 1.00 36.84 C ATOM 1691 C GLY B 47 -3.374 18.847 56.768 1.00 36.09 C ATOM 1692 O GLY B 47 -4.092 19.234 55.860 1.00 36.30 O ATOM 1693 N TRP B 48 -3.827 18.641 58.003 1.00 36.21 N ATOM 1694 CA TRP B 48 -5.202 18.961 58.399 1.00 35.19 C ATOM 1695 C TRP B 48 -5.452 20.479 58.368 1.00 35.32 C ATOM 1696 O TRP B 48 -6.498 20.924 57.844 1.00 35.75 O ATOM 1697 CB TRP B 48 -5.492 18.403 59.810 1.00 36.13 C ATOM 1698 CG TRP B 48 -6.884 18.664 60.294 1.00 35.09 C ATOM 1699 CD1 TRP B 48 -7.981 17.851 60.137 1.00 34.47 C ATOM 1700 CD2 TRP B 48 -7.354 19.846 60.964 1.00 35.58 C ATOM 1701 NE1 TRP B 48 -9.092 18.450 60.697 1.00 36.13 N ATOM 1702 CE2 TRP B 48 -8.735 19.669 61.210 1.00 35.40 C ATOM 1703 CE3 TRP B 48 -6.739 21.037 61.386 1.00 36.95 C ATOM 1704 CZ2 TRP B 48 -9.499 20.620 61.869 1.00 36.61 C ATOM 1705 CZ3 TRP B 48 -7.512 21.995 62.025 1.00 34.94 C ATOM 1706 CH2 TRP B 48 -8.873 21.772 62.271 1.00 36.47 C ATOM 1707 N PHE B 49 -4.516 21.255 58.939 1.00 34.31 N ATOM 1708 CA PHE B 49 -4.539 22.733 58.892 1.00 34.33 C ATOM 1709 C PHE B 49 -4.559 23.236 57.443 1.00 34.04 C ATOM 1710 O PHE B 49 -5.364 24.113 57.104 1.00 34.68 O ATOM 1711 CB PHE B 49 -3.338 23.358 59.655 1.00 34.33 C ATOM 1712 CG PHE B 49 -3.586 23.585 61.129 1.00 35.62 C ATOM 1713 CD1 PHE B 49 -3.804 24.875 61.631 1.00 36.95 C ATOM 1714 CD2 PHE B 49 -3.580 22.522 62.017 1.00 35.58 C ATOM 1715 CE1 PHE B 49 -4.056 25.075 62.976 1.00 36.17 C ATOM 1716 CE2 PHE B 49 -3.824 22.720 63.401 1.00 36.27 C ATOM 1717 CZ PHE B 49 -4.066 23.988 63.869 1.00 34.85 C ATOM 1718 N LYS B 50 -3.674 22.690 56.604 1.00 33.22 N ATOM 1719 CA LYS B 50 -3.638 22.999 55.161 1.00 33.72 C ATOM 1720 C LYS B 50 -4.993 22.798 54.499 1.00 33.65 C ATOM 1721 O LYS B 50 -5.500 23.699 53.860 1.00 33.46 O ATOM 1722 CB LYS B 50 -2.591 22.136 54.454 1.00 33.17 C ATOM 1723 CG LYS B 50 -2.498 22.385 52.971 1.00 34.07 C ATOM 1724 CD LYS B 50 -1.496 21.450 52.332 1.00 34.73 C ATOM 1725 CE LYS B 50 -1.339 21.681 50.844 1.00 36.71 C ATOM 1726 NZ LYS B 50 -2.563 21.404 50.059 1.00 37.18 N ATOM 1727 N ASN B 51 -5.552 21.594 54.653 1.00 34.61 N ATOM 1728 CA ASN B 51 -6.875 21.243 54.126 1.00 35.20 C ATOM 1729 C ASN B 51 -8.024 22.049 54.738 1.00 35.30 C ATOM 1730 O ASN B 51 -8.933 22.434 54.029 1.00 36.06 O ATOM 1731 CB ASN B 51 -7.158 19.734 54.289 1.00 35.27 C ATOM 1732 CG ASN B 51 -6.366 18.860 53.313 1.00 34.97 C ATOM 1733 OD1 ASN B 51 -5.866 17.794 53.691 1.00 35.59 O ATOM 1734 ND2 ASN B 51 -6.267 19.291 52.062 1.00 32.24 N ATOM 1735 N MET B 52 -7.995 22.307 56.040 1.00 36.34 N ATOM 1736 CA MET B 52 -9.041 23.149 56.659 1.00 37.81 C ATOM 1737 C MET B 52 -9.068 24.598 56.089 1.00 37.64 C ATOM 1738 O MET B 52 -10.134 25.167 55.837 1.00 37.37 O ATOM 1739 CB MET B 52 -8.946 23.124 58.190 1.00 38.91 C ATOM 1740 CG MET B 52 -10.187 23.659 58.908 1.00 41.39 C ATOM 1741 SD MET B 52 -11.615 22.548 58.944 1.00 44.05 S ATOM 1742 CE MET B 52 -12.613 23.464 60.136 1.00 42.80 C ATOM 1743 N ARG B 53 -7.897 25.165 55.823 1.00 37.71 N ATOM 1744 CA ARG B 53 -7.826 26.487 55.208 1.00 37.19 C ATOM 1745 C ARG B 53 -8.457 26.467 53.816 1.00 37.99 C ATOM 1746 O ARG B 53 -9.126 27.416 53.445 1.00 37.99 O ATOM 1747 CB ARG B 53 -6.387 26.991 55.142 1.00 36.79 C ATOM 1748 CG ARG B 53 -5.783 27.337 56.489 1.00 34.62 C ATOM 1749 CD ARG B 53 -4.477 28.097 56.345 1.00 33.66 C ATOM 1750 NE ARG B 53 -3.413 27.366 55.647 1.00 30.75 N ATOM 1751 CZ ARG B 53 -2.531 26.563 56.233 1.00 30.36 C ATOM 1752 NH1 ARG B 53 -2.548 26.365 57.546 1.00 30.58 N ATOM 1753 NH2 ARG B 53 -1.619 25.957 55.505 1.00 29.78 N ATOM 1754 N ALA B 54 -8.288 25.373 53.067 1.00 38.38 N ATOM 1755 CA ALA B 54 -8.819 25.303 51.705 1.00 39.60 C ATOM 1756 C ALA B 54 -10.344 25.145 51.682 1.00 40.38 C ATOM 1757 O ALA B 54 -11.028 25.774 50.874 1.00 40.67 O ATOM 1758 CB ALA B 54 -8.147 24.200 50.923 1.00 39.23 C ATOM 1759 N LYS B 55 -10.850 24.294 52.571 1.00 41.79 N ATOM 1760 CA LYS B 55 -12.274 24.062 52.775 1.00 43.57 C ATOM 1761 C LYS B 55 -12.983 25.356 53.162 1.00 45.01 C ATOM 1762 O LYS B 55 -14.071 25.653 52.654 1.00 45.25 O ATOM 1763 CB LYS B 55 -12.473 23.017 53.875 1.00 43.39 C ATOM 1764 CG LYS B 55 -13.883 22.476 53.960 1.00 45.08 C ATOM 1765 CD LYS B 55 -14.275 22.095 55.376 1.00 45.71 C ATOM 1766 CE LYS B 55 -15.718 21.612 55.405 1.00 47.24 C ATOM 1767 NZ LYS B 55 -16.124 21.184 56.772 1.00 47.97 N ATOM 1768 N ILE B 56 -12.351 26.123 54.051 1.00 46.71 N ATOM 1769 CA ILE B 56 -12.888 27.397 54.558 1.00 48.41 C ATOM 1770 C ILE B 56 -12.854 28.502 53.496 1.00 49.21 C ATOM 1771 O ILE B 56 -13.770 29.315 53.423 1.00 49.61 O ATOM 1772 CB ILE B 56 -12.158 27.854 55.866 1.00 48.47 C ATOM 1773 CG1 ILE B 56 -12.221 26.764 56.953 1.00 49.27 C ATOM 1774 CG2 ILE B 56 -12.739 29.141 56.409 1.00 49.57 C ATOM 1775 CD1 ILE B 56 -13.593 26.574 57.624 1.00 51.88 C ATOM 1776 N LYS B 57 -11.812 28.524 52.668 1.00 50.27 N ATOM 1777 CA LYS B 57 -11.731 29.482 51.566 1.00 51.22 C ATOM 1778 C LYS B 57 -12.807 29.224 50.505 1.00 51.80 C ATOM 1779 O LYS B 57 -13.169 30.128 49.743 1.00 52.09 O ATOM 1780 CB LYS B 57 -10.338 29.465 50.927 1.00 51.34 C ATOM 1781 N LYS B 58 -13.310 27.991 50.467 1.00 52.51 N ATOM 1782 CA LYS B 58 -14.361 27.582 49.529 1.00 53.18 C ATOM 1783 C LYS B 58 -15.762 27.836 50.101 1.00 53.66 C ATOM 1784 O LYS B 58 -16.625 28.412 49.433 1.00 53.59 O ATOM 1785 CB LYS B 58 -14.205 26.095 49.164 1.00 53.24 C ATOM 1786 CG LYS B 58 -13.028 25.783 48.251 1.00 53.29 C ATOM 1787 CD LYS B 58 -12.725 24.295 48.213 1.00 52.39 C ATOM 1788 CE LYS B 58 -11.352 24.045 47.602 1.00 52.91 C ATOM 1789 NZ LYS B 58 -10.727 22.752 48.028 1.00 52.93 N ATOM 1790 N SER B 59 -15.970 27.396 51.342 1.00 54.16 N ATOM 1791 CA SER B 59 -17.252 27.512 52.026 1.00 54.70 C ATOM 1792 C SER B 59 -17.489 28.944 52.484 1.00 55.13 C ATOM 1793 O SER B 59 -16.641 29.535 53.160 1.00 55.69 O ATOM 1794 CB SER B 59 -17.290 26.569 53.231 1.00 54.88 C ATOM 1795 OG SER B 59 -16.756 25.295 52.904 1.00 55.25 O TER 1796 SER B 59 HETATM 1797 C13 P2O C 22 15.174 21.558 40.662 1.00 32.65 C HETATM 1798 C9 P2O C 22 16.969 24.382 42.258 1.00 33.67 C HETATM 1799 C11 P2O C 22 14.702 23.662 41.414 1.00 34.94 C HETATM 1800 C8 P2O C 22 17.074 24.124 43.692 1.00 34.04 C HETATM 1801 C7 P2O C 22 17.149 23.978 44.883 1.00 33.31 C HETATM 1802 C14 P2O C 22 16.482 22.132 41.228 1.00 33.68 C HETATM 1803 O11 P2O C 22 14.098 24.720 41.625 1.00 38.01 O HETATM 1804 N10 P2O C 22 16.019 23.453 41.653 1.00 33.27 N HETATM 1805 O12 P2O C 22 14.151 22.539 40.902 1.00 34.06 O HETATM 1806 C1 GOL B 201 4.599 10.402 65.015 1.00 51.95 C HETATM 1807 O1 GOL B 201 5.989 10.495 65.245 1.00 54.14 O HETATM 1808 C2 GOL B 201 3.832 10.151 66.309 1.00 50.81 C HETATM 1809 O2 GOL B 201 4.363 10.961 67.330 1.00 50.12 O HETATM 1810 C3 GOL B 201 3.985 8.689 66.696 1.00 50.09 C HETATM 1811 O3 GOL B 201 2.799 8.042 66.320 1.00 48.33 O HETATM 1812 C1 GOL B 202 -7.551 10.381 72.178 1.00 48.96 C HETATM 1813 O1 GOL B 202 -7.462 11.282 71.104 1.00 46.81 O HETATM 1814 C2 GOL B 202 -8.609 9.310 71.931 1.00 50.73 C HETATM 1815 O2 GOL B 202 -9.344 9.603 70.770 1.00 51.73 O HETATM 1816 C3 GOL B 202 -9.572 9.238 73.108 1.00 51.65 C HETATM 1817 O3 GOL B 202 -9.004 9.895 74.217 1.00 52.69 O HETATM 1818 O HOH C 23 3.024 29.144 58.928 1.00 23.88 O HETATM 1819 O HOH C 24 27.770 28.071 36.838 1.00 52.07 O HETATM 1820 O HOH C 25 22.216 21.839 48.230 1.00 45.82 O HETATM 1821 O HOH C 26 -0.037 26.026 58.923 1.00 23.10 O HETATM 1822 O HOH C 27 -7.155 27.288 48.828 1.00 43.09 O HETATM 1823 O HOH C 28 -6.061 21.214 49.752 1.00 35.79 O HETATM 1824 O HOH C 29 -5.201 32.446 50.495 1.00 46.48 O HETATM 1825 O HOH C 30 20.613 25.154 38.197 1.00 29.97 O HETATM 1826 O HOH C 31 13.531 23.378 45.396 1.00 36.63 O HETATM 1827 O HOH C 32 5.446 29.135 59.567 1.00 40.83 O HETATM 1828 O HOH C 33 24.766 31.598 36.926 1.00 42.67 O HETATM 1829 O HOH C 34 -5.920 29.887 52.237 1.00 33.03 O HETATM 1830 O HOH C 35 21.033 31.476 39.105 1.00 43.80 O HETATM 1831 O HOH C 36 -7.169 22.758 47.823 1.00 44.13 O HETATM 1832 O HOH C 37 1.214 23.643 53.807 1.00 41.28 O HETATM 1833 O HOH C 38 -4.556 23.606 49.807 1.00 29.85 O HETATM 1834 O HOH C 39 17.467 24.403 54.735 1.00 51.84 O HETATM 1835 O HOH C 40 18.990 23.672 52.775 1.00 43.72 O HETATM 1836 O HOH C 41 21.934 30.856 44.623 1.00 37.78 O HETATM 1837 O HOH C 42 -0.445 24.960 52.218 1.00 34.42 O HETATM 1838 O HOH C 43 15.414 20.366 45.323 1.00 49.31 O HETATM 1839 O HOH C 44 -1.919 24.870 41.205 1.00 43.93 O HETATM 1840 O HOH C 45 2.466 21.428 53.618 1.00 41.83 O HETATM 1841 O HOH D 43 53.442 33.367 53.360 1.00 43.88 O HETATM 1842 O HOH D 44 12.730 32.380 43.376 1.00 27.58 O HETATM 1843 O HOH D 45 11.161 31.054 54.146 1.00 43.16 O HETATM 1844 O HOH D 46 8.925 30.488 52.895 1.00 38.73 O HETATM 1845 O HOH D 47 10.626 36.366 42.664 1.00 37.33 O HETATM 1846 O HOH D 48 15.602 26.166 54.387 1.00 46.50 O HETATM 1847 O HOH D 49 0.856 14.461 53.868 1.00 43.39 O HETATM 1848 O HOH D 50 -2.992 15.366 55.055 1.00 35.66 O HETATM 1849 O HOH D 51 21.200 32.163 55.001 1.00 49.69 O HETATM 1850 O HOH D 52 54.447 40.272 51.819 1.00 30.90 O HETATM 1851 O HOH D 53 7.794 31.630 50.633 1.00 36.23 O HETATM 1852 O HOH D 54 9.801 29.023 54.976 1.00 48.95 O HETATM 1853 O HOH D 55 12.462 35.426 44.112 1.00 32.56 O HETATM 1854 O HOH D 56 52.899 34.399 60.105 1.00 36.98 O HETATM 1855 O HOH D 57 -4.289 11.057 47.813 1.00 44.10 O HETATM 1856 O HOH D 58 16.872 30.603 45.835 1.00 31.82 O HETATM 1857 O HOH D 59 0.455 18.414 53.125 1.00 39.91 O HETATM 1858 O HOH D 60 10.526 29.162 43.022 1.00 33.13 O HETATM 1859 O HOH D 61 49.275 33.632 54.386 1.00 47.90 O HETATM 1860 O HOH D 62 1.474 18.864 50.384 1.00 40.29 O HETATM 1861 O HOH D 63 51.432 41.255 57.363 1.00 46.92 O HETATM 1862 O HOH D 64 4.826 32.181 46.846 1.00 47.49 O HETATM 1863 O HOH A 61 11.968 28.299 37.756 1.00 24.51 O HETATM 1864 O HOH A 62 20.950 27.446 39.668 1.00 22.17 O HETATM 1865 O HOH A 63 23.446 18.328 32.322 1.00 44.95 O HETATM 1866 O HOH A 64 8.907 25.364 35.165 1.00 42.08 O HETATM 1867 O HOH A 65 7.217 39.340 39.324 1.00 48.99 O HETATM 1868 O HOH A 66 26.010 20.177 29.060 1.00 48.94 O HETATM 1869 O HOH A 67 13.449 38.869 40.718 1.00 35.68 O HETATM 1870 O HOH A 68 10.610 29.593 36.155 1.00 26.59 O HETATM 1871 O HOH A 69 15.139 17.045 31.570 1.00 23.38 O HETATM 1872 O HOH A 70 9.461 16.779 30.499 1.00 44.57 O HETATM 1873 O HOH A 71 13.448 38.653 38.272 1.00 33.15 O HETATM 1874 O HOH A 72 17.143 20.577 20.784 1.00 40.12 O HETATM 1875 O HOH A 73 2.951 25.506 31.641 1.00 41.05 O HETATM 1876 O HOH A 74 5.729 28.451 25.897 1.00 38.39 O HETATM 1877 O HOH A 75 8.798 40.195 27.174 1.00 46.60 O HETATM 1878 O HOH A 76 10.446 27.419 40.338 1.00 48.19 O HETATM 1879 O HOH B 203 -6.425 16.425 56.678 1.00 26.71 O HETATM 1880 O HOH B 204 -0.109 23.421 57.582 1.00 25.86 O HETATM 1881 O HOH B 205 -13.920 22.178 68.872 1.00 40.73 O HETATM 1882 O HOH B 206 -4.447 25.346 52.082 1.00 26.72 O HETATM 1883 O HOH B 207 -12.440 10.684 70.638 1.00 29.90 O HETATM 1884 O HOH B 208 -7.659 6.393 63.574 1.00 29.72 O HETATM 1885 O HOH B 209 0.288 3.751 51.407 1.00 52.39 O HETATM 1886 O HOH B 210 -13.600 9.071 68.181 1.00 36.94 O HETATM 1887 O HOH B 211 -4.191 15.304 57.485 1.00 31.34 O HETATM 1888 O HOH B 212 -10.310 28.302 70.186 1.00 30.03 O HETATM 1889 O HOH B 213 8.390 27.912 66.344 1.00 38.79 O HETATM 1890 O HOH B 214 6.227 29.460 67.549 1.00 38.97 O HETATM 1891 O HOH B 215 -6.302 27.633 51.358 1.00 30.62 O HETATM 1892 O HOH B 216 -14.492 10.717 64.369 1.00 49.81 O HETATM 1893 O HOH B 217 8.525 21.095 71.497 1.00 49.48 O HETATM 1894 O HOH B 218 5.858 13.514 64.045 1.00 35.88 O HETATM 1895 O HOH B 219 -5.510 12.948 72.708 1.00 50.21 O HETATM 1896 O HOH B 220 -14.510 8.845 65.839 1.00 43.09 O HETATM 1897 O HOH B 221 -15.012 16.748 67.513 1.00 37.75 O CONECT 280 1801 CONECT 1797 1802 1805 CONECT 1798 1800 1804 CONECT 1799 1803 1804 1805 CONECT 1800 1798 1801 CONECT 1801 280 1800 CONECT 1802 1797 1804 CONECT 1803 1799 CONECT 1804 1798 1799 1802 CONECT 1805 1797 1799 CONECT 1806 1807 1808 CONECT 1807 1806 CONECT 1808 1806 1809 1810 CONECT 1809 1808 CONECT 1810 1808 1811 CONECT 1811 1810 CONECT 1812 1813 1814 CONECT 1813 1812 CONECT 1814 1812 1815 1816 CONECT 1815 1814 CONECT 1816 1814 1817 CONECT 1817 1816 MASTER 385 0 3 6 0 0 5 6 1893 4 22 14 END
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Related entries of code: 2hot
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2hdd
RCSB PDB
PDBbind
21aa, >2HDD_2|Chain... *
2hos
RCSB PDB
PDBbind
21aa, >2HOS_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
2hot
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Segmentation polarity homeobox protein engrailed
Ligand Name
TAA1CC20
EC.Number
E.C.-.-.-.-
Resolution
2.19(Å)
Affinity (Kd/Ki/IC50)
Kd=1.5nM
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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