Browse entries in the PDBbind-CN Database
HEADER DNA BINDING PROTEIN/DNA 01-APR-09 3GX4 TITLE CRYSTAL STRUCTURE ANALYSIS OF S. POMBE ATL IN COMPLEX WITH DNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALKYLTRANSFERASE-LIKE PROTEIN 1; COMPND 3 CHAIN: X; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3'); COMPND 7 CHAIN: Y; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 3; COMPND 10 MOLECULE: DNA (5'-D(*CP*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*G)-3'); COMPND 11 CHAIN: Z; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; SOURCE 3 ORGANISM_COMMON: FISSION YEAST; SOURCE 4 ORGANISM_TAXID: 4896; SOURCE 5 GENE: ATL1, SPAC1250.04C; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 MOL_ID: 3; SOURCE 11 SYNTHETIC: YES KEYWDS ALKYLATED DNA DAMAGE REPAIR METHYLGUANINE, DNA DAMAGE, DNA REPAIR, KEYWDS 2 DNA-BINDING, DNA BINDING PROTEIN-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR J.L.TUBBS,A.S.ARVAI,J.A.TAINER REVDAT 3 13-JUL-11 3GX4 1 VERSN REVDAT 2 28-JUL-09 3GX4 1 JRNL REVDAT 1 09-JUN-09 3GX4 0 JRNL AUTH J.L.TUBBS,V.LATYPOV,S.KANUGULA,A.BUTT,M.MELIKISHVILI, JRNL AUTH 2 R.KRAEHENBUEHL,O.FLECK,A.MARRIOTT,A.J.WATSON,B.VERBEEK, JRNL AUTH 3 G.MCGOWN,M.THORNCROFT,M.F.SANTIBANEZ-KOREF,C.MILLINGTON, JRNL AUTH 4 A.S.ARVAI,M.D.KROEGER,L.A.PETERSON,D.M.WILLIAMS,M.G.FRIED, JRNL AUTH 5 G.P.MARGISON,A.E.PEGG,J.A.TAINER JRNL TITL FLIPPING OF ALKYLATED DNA DAMAGE BRIDGES BASE AND NUCLEOTIDE JRNL TITL 2 EXCISION REPAIR. JRNL REF NATURE V. 459 808 2009 JRNL REFN ISSN 0028-0836 JRNL PMID 19516334 JRNL DOI 10.1038/NATURE08076 REMARK 2 REMARK 2 RESOLUTION. 2.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 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) : 2.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 39.04 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 93.5 REMARK 3 NUMBER OF REFLECTIONS : 6342 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) : 0.231 REMARK 3 R VALUE (WORKING SET) : 0.227 REMARK 3 FREE R VALUE : 0.296 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.600 REMARK 3 FREE R VALUE TEST SET COUNT : 373 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) : 2.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.77 REMARK 3 REFLECTION IN BIN (WORKING SET) : 286 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 79.33 REMARK 3 BIN R VALUE (WORKING SET) : 0.3840 REMARK 3 BIN FREE R VALUE SET COUNT : 21 REMARK 3 BIN FREE R VALUE : 0.4520 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 890 REMARK 3 NUCLEIC ACID ATOMS : 528 REMARK 3 HETEROGEN ATOMS : 14 REMARK 3 SOLVENT ATOMS : 23 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) : 39.90 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.44000 REMARK 3 B22 (A**2) : 2.44000 REMARK 3 B33 (A**2) : -3.66000 REMARK 3 B12 (A**2) : 1.22000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 1.071 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.400 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.348 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 39.836 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.935 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.882 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1515 ; 0.042 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2164 ; 4.544 ; 2.404 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 107 ;11.007 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 46 ;42.677 ;23.043 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 163 ;24.865 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;26.183 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 225 ; 0.203 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 980 ; 0.018 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 846 ; 0.359 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 992 ; 0.390 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 97 ; 0.234 ; 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): 49 ; 0.380 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 5 ; 0.202 ; 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): 558 ; 1.811 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 871 ; 2.942 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1291 ; 4.409 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1287 ; 5.973 ; 4.500 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 : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 5 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : X 1 X 108 REMARK 3 RESIDUE RANGE : Y 201 Y 213 REMARK 3 RESIDUE RANGE : Z 214 Z 226 REMARK 3 RESIDUE RANGE : X 403 X 425 REMARK 3 RESIDUE RANGE : Y 302 Y 302 REMARK 3 ORIGIN FOR THE GROUP (A): 29.0633 -27.9930 3.7723 REMARK 3 T TENSOR REMARK 3 T11: 0.0593 T22: 0.2120 REMARK 3 T33: 0.0590 T12: -0.0016 REMARK 3 T13: 0.0463 T23: 0.0001 REMARK 3 L TENSOR REMARK 3 L11: 0.7165 L22: 1.2365 REMARK 3 L33: 2.0735 L12: -0.2181 REMARK 3 L13: 0.4100 L23: -0.0609 REMARK 3 S TENSOR REMARK 3 S11: -0.0611 S12: -0.0173 S13: -0.0012 REMARK 3 S21: -0.0088 S22: 0.0473 S23: 0.0033 REMARK 3 S31: 0.1335 S32: -0.1118 S33: 0.0138 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3GX4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-MAY-09. REMARK 100 THE RCSB ID CODE IS RCSB052415. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-JAN-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL11-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 6342 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.700 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL 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 (%): 56.61 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.83 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 61 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+5/6 REMARK 290 6555 X-Y,X,Z+1/6 REMARK 290 7555 Y,X,-Z+1/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+2/3 REMARK 290 10555 -Y,-X,-Z+5/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+1/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 79.34267 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 158.68533 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 119.01400 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 198.35667 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 39.67133 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 79.34267 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 158.68533 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 198.35667 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 119.01400 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 39.67133 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TRIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4140 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9380 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: X, Y, Z 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 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH X 404 LIES ON A SPECIAL POSITION. 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 X 109 REMARK 465 SER X 110 REMARK 465 HIS X 111 REMARK 465 HIS X 112 REMARK 465 HIS X 113 REMARK 465 HIS X 114 REMARK 465 HIS X 115 REMARK 465 HIS X 116 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O ASP X 70 N SER X 72 2.11 REMARK 500 O LYS X 68 N ASP X 70 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 ARG X 2 CG ARG X 2 CD 0.164 REMARK 500 TYR X 7 CZ TYR X 7 CE2 0.089 REMARK 500 TYR X 11 CE2 TYR X 11 CD2 0.101 REMARK 500 VAL X 22 CB VAL X 22 CG2 0.149 REMARK 500 GLU X 27 CD GLU X 27 OE1 0.075 REMARK 500 ARG X 39 CB ARG X 39 CG -0.167 REMARK 500 ARG X 39 CZ ARG X 39 NH1 0.084 REMARK 500 GLN X 40 C GLN X 40 O 0.142 REMARK 500 TRP X 56 CB TRP X 56 CG -0.129 REMARK 500 GLU X 75 N GLU X 75 CA 0.151 REMARK 500 GLU X 75 CG GLU X 75 CD 0.091 REMARK 500 GLU X 75 CD GLU X 75 OE1 0.068 REMARK 500 GLU X 84 CG GLU X 84 CD 0.124 REMARK 500 GLU X 84 CD GLU X 84 OE1 0.094 REMARK 500 GLU X 84 CD GLU X 84 OE2 0.075 REMARK 500 TYR X 90 CG TYR X 90 CD1 0.084 REMARK 500 TYR X 90 CE1 TYR X 90 CZ 0.117 REMARK 500 TYR X 90 CZ TYR X 90 CE2 0.125 REMARK 500 LYS X 98 CB LYS X 98 CG -0.212 REMARK 500 GLU X 103 CG GLU X 103 CD 0.100 REMARK 500 MET X 105 CA MET X 105 CB -0.133 REMARK 500 DG Y 201 O3' DG Y 201 C3' -0.055 REMARK 500 DG Y 201 C5 DG Y 201 N7 -0.037 REMARK 500 DG Y 201 C8 DG Y 201 N9 -0.048 REMARK 500 DC Y 202 O3' DC Y 202 C3' -0.054 REMARK 500 DC Y 203 O3' DC Y 203 C3' -0.038 REMARK 500 DA Y 204 N3 DA Y 204 C4 -0.037 REMARK 500 DA Y 204 C6 DA Y 204 N1 -0.045 REMARK 500 DT Y 205 O3' DT Y 205 C3' -0.065 REMARK 500 DT Y 205 C4 DT Y 205 C5 -0.056 REMARK 500 DG Y 206 O3' DG Y 206 C3' -0.073 REMARK 500 DG Y 206 C5 DG Y 206 N7 -0.041 REMARK 500 DC Y 208 P DC Y 208 O5' -0.071 REMARK 500 DC Y 208 C2 DC Y 208 O2 -0.059 REMARK 500 DC Y 208 N1 DC Y 208 C6 -0.041 REMARK 500 DC Y 208 C2 DC Y 208 N3 -0.054 REMARK 500 DC Y 208 N3 DC Y 208 C4 -0.049 REMARK 500 DT Y 209 P DT Y 209 O5' -0.075 REMARK 500 DT Y 209 N1 DT Y 209 C2 -0.052 REMARK 500 DT Y 209 C6 DT Y 209 N1 -0.042 REMARK 500 DT Y 209 C2 DT Y 209 O2 -0.048 REMARK 500 DA Y 210 P DA Y 210 O5' -0.088 REMARK 500 DA Y 210 O3' DA Y 210 C3' -0.058 REMARK 500 DA Y 210 N3 DA Y 210 C4 -0.038 REMARK 500 DA Y 210 C4 DA Y 210 C5 -0.043 REMARK 500 DG Y 211 O3' DG Y 211 C3' -0.055 REMARK 500 DG Y 211 N9 DG Y 211 C4 -0.049 REMARK 500 DT Y 212 C4 DT Y 212 C5 -0.057 REMARK 500 DA Y 213 O3' DA Y 213 C3' -0.060 REMARK 500 DC Z 214 O3' DC Z 214 C3' -0.061 REMARK 500 REMARK 500 THIS ENTRY HAS 90 BOND DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG X 2 NE - CZ - NH1 ANGL. DEV. = 7.0 DEGREES REMARK 500 ARG X 2 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 ASP X 4 CB - CG - OD1 ANGL. DEV. = 8.5 DEGREES REMARK 500 ASP X 4 CB - CG - OD2 ANGL. DEV. = -9.1 DEGREES REMARK 500 CYS X 15 CA - CB - SG ANGL. DEV. = -15.3 DEGREES REMARK 500 ARG X 39 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES REMARK 500 HIS X 47 CB - CA - C ANGL. DEV. = -12.7 DEGREES REMARK 500 PRO X 50 C - N - CA ANGL. DEV. = -15.5 DEGREES REMARK 500 PRO X 50 C - N - CD ANGL. DEV. = 13.1 DEGREES REMARK 500 ARG X 58 NE - CZ - NH2 ANGL. DEV. = -4.8 DEGREES REMARK 500 ARG X 63 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES REMARK 500 ARG X 69 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 GLY X 74 N - CA - C ANGL. DEV. = 16.7 DEGREES REMARK 500 GLU X 75 CB - CA - C ANGL. DEV. = -14.9 DEGREES REMARK 500 MET X 105 CA - CB - CG ANGL. DEV. = -10.6 DEGREES REMARK 500 DC Y 202 O4' - C4' - C3' ANGL. DEV. = -3.2 DEGREES REMARK 500 DC Y 203 O4' - C1' - C2' ANGL. DEV. = -5.2 DEGREES REMARK 500 DA Y 204 C3' - C2' - C1' ANGL. DEV. = -5.9 DEGREES REMARK 500 DA Y 204 O4' - C1' - C2' ANGL. DEV. = -5.7 DEGREES REMARK 500 DT Y 205 O4' - C4' - C3' ANGL. DEV. = -2.9 DEGREES REMARK 500 DT Y 205 C4' - C3' - C2' ANGL. DEV. = -4.8 DEGREES REMARK 500 DT Y 205 O4' - C1' - N1 ANGL. DEV. = 4.4 DEGREES REMARK 500 DT Y 205 N3 - C4 - O4 ANGL. DEV. = 3.8 DEGREES REMARK 500 DT Y 205 C5 - C4 - O4 ANGL. DEV. = -5.4 DEGREES REMARK 500 DG Y 206 O4' - C4' - C3' ANGL. DEV. = -5.2 DEGREES REMARK 500 DG Y 206 C4' - C3' - C2' ANGL. DEV. = -6.8 DEGREES REMARK 500 DG Y 206 O4' - C1' - N9 ANGL. DEV. = 7.3 DEGREES REMARK 500 DC Y 208 OP1 - P - OP2 ANGL. DEV. = -9.5 DEGREES REMARK 500 DC Y 208 O4' - C1' - C2' ANGL. DEV. = -6.4 DEGREES REMARK 500 DT Y 209 O4' - C1' - C2' ANGL. DEV. = -5.8 DEGREES REMARK 500 DA Y 210 O5' - C5' - C4' ANGL. DEV. = -4.9 DEGREES REMARK 500 DA Y 210 O4' - C1' - N9 ANGL. DEV. = 8.6 DEGREES REMARK 500 DG Y 211 O4' - C4' - C3' ANGL. DEV. = -6.3 DEGREES REMARK 500 DG Y 211 O4' - C1' - N9 ANGL. DEV. = -5.9 DEGREES REMARK 500 DG Y 211 C4 - C5 - N7 ANGL. DEV. = 2.7 DEGREES REMARK 500 DT Y 212 O4' - C1' - C2' ANGL. DEV. = -5.4 DEGREES REMARK 500 DT Y 212 O4' - C1' - N1 ANGL. DEV. = -7.2 DEGREES REMARK 500 DA Y 213 C3' - C2' - C1' ANGL. DEV. = -5.2 DEGREES REMARK 500 DA Y 213 O4' - C1' - N9 ANGL. DEV. = 4.6 DEGREES REMARK 500 DC Z 214 O4' - C4' - C3' ANGL. DEV. = -4.2 DEGREES REMARK 500 DC Z 214 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 DT Z 215 O4' - C1' - C2' ANGL. DEV. = -5.3 DEGREES REMARK 500 DT Z 215 N3 - C4 - O4 ANGL. DEV. = 6.0 DEGREES REMARK 500 DT Z 215 C5 - C4 - O4 ANGL. DEV. = -8.3 DEGREES REMARK 500 DT Z 215 C4 - C5 - C7 ANGL. DEV. = -3.6 DEGREES REMARK 500 DA Z 216 O4' - C4' - C3' ANGL. DEV. = -3.5 DEGREES REMARK 500 DA Z 216 O4' - C1' - N9 ANGL. DEV. = 5.8 DEGREES REMARK 500 DC Z 217 P - O5' - C5' ANGL. DEV. = -12.0 DEGREES REMARK 500 DC Z 217 O4' - C1' - N1 ANGL. DEV. = 7.6 DEGREES REMARK 500 DT Z 218 C4' - C3' - C2' ANGL. DEV. = -4.7 DEGREES REMARK 500 REMARK 500 THIS ENTRY HAS 65 ANGLE DEVIATIONS. REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 TYR X 19 134.07 -33.68 REMARK 500 MET X 34 62.84 -119.04 REMARK 500 TYR X 37 38.67 -92.39 REMARK 500 HIS X 47 38.31 -81.43 REMARK 500 PRO X 50 31.07 -70.15 REMARK 500 PRO X 55 49.10 -70.48 REMARK 500 ARG X 69 20.77 46.17 REMARK 500 ASP X 70 -115.42 14.01 REMARK 500 ILE X 71 91.25 -6.23 REMARK 500 SER X 72 161.84 61.26 REMARK 500 GLU X 75 -2.28 -34.52 REMARK 500 TYR X 90 -161.74 -125.62 REMARK 500 SER X 93 119.24 -37.20 REMARK 500 LEU X 94 82.89 73.99 REMARK 500 GLU X 96 94.88 -3.44 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 GLY X 74 GLU X 75 147.42 REMARK 500 GLU X 75 GLN X 76 145.83 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 DG Z 226 -45.3 D D OUTSIDE RANGE REMARK 500 SER X 36 24.8 L L OUTSIDE RANGE 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 NCO Y 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NCO Z 303 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3GVA RELATED DB: PDB REMARK 900 SAME PROTEIN WITHOUT DNA REMARK 900 RELATED ID: 3GYH RELATED DB: PDB REMARK 900 SAME PROTEIN WITH DNA DBREF 3GX4 X 1 108 UNP Q9UTN9 ATL1_SCHPO 1 108 DBREF 3GX4 Y 201 213 PDB 3GX4 3GX4 201 213 DBREF 3GX4 Z 214 226 PDB 3GX4 3GX4 214 226 SEQADV 3GX4 GLY X 109 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GX4 SER X 110 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GX4 HIS X 111 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GX4 HIS X 112 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GX4 HIS X 113 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GX4 HIS X 114 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GX4 HIS X 115 UNP Q9UTN9 EXPRESSION TAG SEQADV 3GX4 HIS X 116 UNP Q9UTN9 EXPRESSION TAG SEQRES 1 X 116 MET ARG MET ASP GLU PHE TYR THR LYS VAL TYR ASP ALA SEQRES 2 X 116 VAL CYS GLU ILE PRO TYR GLY LYS VAL SER THR TYR GLY SEQRES 3 X 116 GLU ILE ALA ARG TYR VAL GLY MET PRO SER TYR ALA ARG SEQRES 4 X 116 GLN VAL GLY GLN ALA MET LYS HIS LEU HIS PRO GLU THR SEQRES 5 X 116 HIS VAL PRO TRP HIS ARG VAL ILE ASN SER ARG GLY THR SEQRES 6 X 116 ILE SER LYS ARG ASP ILE SER ALA GLY GLU GLN ARG GLN SEQRES 7 X 116 LYS ASP ARG LEU GLU GLU GLU GLY VAL GLU ILE TYR GLN SEQRES 8 X 116 THR SER LEU GLY GLU TYR LYS LEU ASN LEU PRO GLU TYR SEQRES 9 X 116 MET TRP LYS PRO GLY SER HIS HIS HIS HIS HIS HIS SEQRES 1 Y 13 DG DC DC DA DT DG 6OG DC DT DA DG DT DA SEQRES 1 Z 13 DC DT DA DC DT DA DG DC DC DA DT DG DG MODRES 3GX4 6OG Y 207 DG 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE HET 6OG Y 207 23 HET NCO Y 302 7 HET NCO Z 303 7 HETNAM 6OG 6-O-METHYL GUANOSINE-5'-MONOPHOSPHATE HETNAM NCO COBALT HEXAMMINE(III) FORMUL 2 6OG C11 H16 N5 O7 P FORMUL 4 NCO 2(CO H18 N6 3+) FORMUL 6 HOH *23(H2 O) HELIX 1 1 ARG X 2 GLU X 16 1 15 HELIX 2 2 TYR X 25 VAL X 32 1 8 HELIX 3 3 TYR X 37 HIS X 47 1 11 HELIX 4 4 PRO X 55 HIS X 57 5 3 HELIX 5 5 GLU X 75 GLU X 83 1 9 HELIX 6 6 GLU X 84 GLY X 86 5 3 HELIX 7 7 ASN X 100 MET X 105 1 6 SHEET 1 A 2 SER X 23 THR X 24 0 SHEET 2 A 2 VAL X 59 ILE X 60 1 O ILE X 60 N SER X 23 LINK O3' DG Y 206 P 6OG Y 207 1555 1555 1.55 LINK O3' 6OG Y 207 P DC Y 208 1555 1555 1.45 SITE 1 AC1 5 ARG X 39 GLN X 43 DG Y 206 6OG Y 207 SITE 2 AC1 5 DC Y 208 SITE 1 AC2 6 GLU X 51 DG Y 201 DC Y 202 DC Z 214 SITE 2 AC2 6 DG Z 225 DG Z 226 CRYST1 59.728 59.728 238.028 90.00 90.00 120.00 P 61 2 2 12 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.016743 0.009666 0.000000 0.00000 SCALE2 0.000000 0.019333 0.000000 0.00000 SCALE3 0.000000 0.000000 0.004201 0.00000 ATOM 1 N MET X 1 39.478 -24.878 22.164 1.00 46.22 N ATOM 2 CA MET X 1 38.285 -23.978 22.073 1.00 45.46 C ATOM 3 C MET X 1 36.810 -24.658 22.059 1.00 44.43 C ATOM 4 O MET X 1 36.607 -25.901 21.993 1.00 44.26 O ATOM 5 CB MET X 1 38.501 -23.144 20.811 1.00 45.20 C ATOM 6 CG MET X 1 37.214 -23.044 19.994 1.00 45.03 C ATOM 7 SD MET X 1 37.215 -23.287 18.160 1.00 48.19 S ATOM 8 CE MET X 1 38.506 -22.233 17.423 1.00 44.53 C ATOM 9 N ARG X 2 35.768 -23.845 22.136 1.00 41.64 N ATOM 10 CA ARG X 2 34.510 -24.456 22.300 1.00 38.81 C ATOM 11 C ARG X 2 33.532 -23.925 21.276 1.00 38.46 C ATOM 12 O ARG X 2 33.749 -22.873 20.557 1.00 38.75 O ATOM 13 CB ARG X 2 34.096 -24.362 23.780 1.00 39.12 C ATOM 14 CG ARG X 2 33.205 -23.130 24.192 1.00 40.85 C ATOM 15 CD ARG X 2 32.994 -22.815 25.828 1.00 35.27 C ATOM 16 NE ARG X 2 33.732 -21.586 26.290 1.00 31.98 N ATOM 17 CZ ARG X 2 33.657 -20.303 25.817 1.00 28.86 C ATOM 18 NH1 ARG X 2 32.921 -19.856 24.770 1.00 22.47 N ATOM 19 NH2 ARG X 2 34.454 -19.431 26.404 1.00 29.97 N ATOM 20 N MET X 3 32.462 -24.672 21.199 1.00 36.68 N ATOM 21 CA MET X 3 31.606 -24.657 20.066 1.00 35.99 C ATOM 22 C MET X 3 30.950 -23.296 19.892 1.00 36.37 C ATOM 23 O MET X 3 30.624 -22.999 18.815 1.00 38.25 O ATOM 24 CB MET X 3 30.551 -25.704 20.326 1.00 36.55 C ATOM 25 CG MET X 3 30.358 -26.885 19.340 1.00 35.59 C ATOM 26 SD MET X 3 31.384 -26.900 17.828 1.00 45.11 S ATOM 27 CE MET X 3 32.975 -27.539 18.541 1.00 31.54 C ATOM 28 N ASP X 4 30.781 -22.443 20.883 1.00 34.42 N ATOM 29 CA ASP X 4 30.317 -21.146 20.503 1.00 35.40 C ATOM 30 C ASP X 4 31.441 -20.227 20.028 1.00 36.38 C ATOM 31 O ASP X 4 31.138 -19.108 19.472 1.00 38.19 O ATOM 32 CB ASP X 4 29.704 -20.387 21.668 1.00 35.15 C ATOM 33 CG ASP X 4 30.744 -20.194 22.852 1.00 39.22 C ATOM 34 OD1 ASP X 4 31.627 -19.195 22.991 1.00 38.68 O ATOM 35 OD2 ASP X 4 30.707 -21.199 23.602 1.00 41.67 O ATOM 36 N GLU X 5 32.703 -20.534 20.370 1.00 35.98 N ATOM 37 CA GLU X 5 33.807 -19.621 19.946 1.00 35.29 C ATOM 38 C GLU X 5 33.823 -19.958 18.506 1.00 35.60 C ATOM 39 O GLU X 5 33.670 -19.042 17.586 1.00 34.63 O ATOM 40 CB GLU X 5 35.114 -20.029 20.536 1.00 33.80 C ATOM 41 CG GLU X 5 34.870 -20.078 21.936 1.00 40.15 C ATOM 42 CD GLU X 5 36.045 -20.425 22.777 1.00 42.05 C ATOM 43 OE1 GLU X 5 37.011 -19.594 22.911 1.00 41.10 O ATOM 44 OE2 GLU X 5 35.926 -21.538 23.367 1.00 41.25 O ATOM 45 N PHE X 6 33.834 -21.294 18.316 1.00 33.79 N ATOM 46 CA PHE X 6 33.838 -21.772 16.995 1.00 32.35 C ATOM 47 C PHE X 6 32.719 -21.123 16.127 1.00 32.55 C ATOM 48 O PHE X 6 33.035 -20.492 15.042 1.00 30.61 O ATOM 49 CB PHE X 6 33.704 -23.234 17.017 1.00 32.53 C ATOM 50 CG PHE X 6 33.575 -23.830 15.659 1.00 30.06 C ATOM 51 CD1 PHE X 6 34.681 -24.183 14.942 1.00 30.59 C ATOM 52 CD2 PHE X 6 32.313 -24.088 15.098 1.00 28.50 C ATOM 53 CE1 PHE X 6 34.593 -24.803 13.609 1.00 31.57 C ATOM 54 CE2 PHE X 6 32.145 -24.708 13.771 1.00 22.91 C ATOM 55 CZ PHE X 6 33.300 -25.056 13.043 1.00 33.92 C ATOM 56 N TYR X 7 31.466 -21.302 16.540 1.00 30.87 N ATOM 57 CA TYR X 7 30.453 -20.710 15.730 1.00 34.20 C ATOM 58 C TYR X 7 30.726 -19.259 15.456 1.00 33.74 C ATOM 59 O TYR X 7 30.518 -18.842 14.279 1.00 32.99 O ATOM 60 CB TYR X 7 29.115 -20.721 16.354 1.00 38.20 C ATOM 61 CG TYR X 7 28.448 -22.004 16.116 1.00 46.66 C ATOM 62 CD1 TYR X 7 29.114 -23.185 16.420 1.00 54.55 C ATOM 63 CD2 TYR X 7 27.124 -22.090 15.628 1.00 53.85 C ATOM 64 CE1 TYR X 7 28.552 -24.482 16.240 1.00 52.26 C ATOM 65 CE2 TYR X 7 26.503 -23.401 15.479 1.00 56.29 C ATOM 66 CZ TYR X 7 27.297 -24.602 15.778 1.00 52.59 C ATOM 67 OH TYR X 7 26.842 -25.921 15.665 1.00 53.11 O ATOM 68 N THR X 8 31.176 -18.457 16.469 1.00 31.55 N ATOM 69 CA THR X 8 31.580 -17.034 16.147 1.00 31.02 C ATOM 70 C THR X 8 32.635 -16.945 15.118 1.00 29.88 C ATOM 71 O THR X 8 32.416 -16.339 14.162 1.00 29.40 O ATOM 72 CB THR X 8 32.068 -16.263 17.304 1.00 30.91 C ATOM 73 OG1 THR X 8 30.904 -15.987 18.132 1.00 37.14 O ATOM 74 CG2 THR X 8 32.828 -14.930 16.798 1.00 28.17 C ATOM 75 N LYS X 9 33.749 -17.642 15.230 1.00 30.50 N ATOM 76 CA LYS X 9 34.805 -17.343 14.237 1.00 33.29 C ATOM 77 C LYS X 9 34.237 -17.613 12.838 1.00 34.04 C ATOM 78 O LYS X 9 34.416 -16.863 11.874 1.00 37.13 O ATOM 79 CB LYS X 9 36.038 -18.187 14.422 1.00 30.92 C ATOM 80 CG LYS X 9 36.203 -18.502 15.818 1.00 31.20 C ATOM 81 CD LYS X 9 37.284 -17.778 16.319 1.00 35.34 C ATOM 82 CE LYS X 9 38.528 -18.584 15.948 1.00 32.71 C ATOM 83 NZ LYS X 9 39.253 -18.514 17.233 1.00 40.00 N ATOM 84 N VAL X 10 33.570 -18.712 12.712 1.00 32.65 N ATOM 85 CA VAL X 10 33.034 -18.963 11.459 1.00 31.55 C ATOM 86 C VAL X 10 32.148 -17.811 10.980 1.00 31.74 C ATOM 87 O VAL X 10 32.292 -17.387 9.824 1.00 31.51 O ATOM 88 CB VAL X 10 32.282 -20.181 11.638 1.00 32.51 C ATOM 89 CG1 VAL X 10 31.425 -20.498 10.437 1.00 29.39 C ATOM 90 CG2 VAL X 10 33.321 -21.177 11.909 1.00 30.38 C ATOM 91 N TYR X 11 31.225 -17.307 11.789 1.00 28.84 N ATOM 92 CA TYR X 11 30.560 -16.174 11.241 1.00 29.53 C ATOM 93 C TYR X 11 31.484 -14.898 11.013 1.00 29.45 C ATOM 94 O TYR X 11 31.268 -14.115 10.107 1.00 29.53 O ATOM 95 CB TYR X 11 29.432 -15.772 12.123 1.00 30.49 C ATOM 96 CG TYR X 11 28.499 -16.875 12.442 1.00 32.78 C ATOM 97 CD1 TYR X 11 27.782 -16.882 13.681 1.00 31.76 C ATOM 98 CD2 TYR X 11 28.304 -17.980 11.518 1.00 31.00 C ATOM 99 CE1 TYR X 11 26.885 -17.986 13.995 1.00 30.73 C ATOM 100 CE2 TYR X 11 27.326 -19.065 11.814 1.00 26.31 C ATOM 101 CZ TYR X 11 26.631 -19.010 13.055 1.00 31.39 C ATOM 102 OH TYR X 11 25.702 -19.976 13.369 1.00 36.24 O ATOM 103 N ASP X 12 32.492 -14.649 11.800 1.00 28.80 N ATOM 104 CA ASP X 12 33.349 -13.632 11.336 1.00 32.06 C ATOM 105 C ASP X 12 33.922 -14.052 10.037 1.00 34.10 C ATOM 106 O ASP X 12 33.898 -13.225 9.123 1.00 37.08 O ATOM 107 CB ASP X 12 34.451 -13.227 12.293 1.00 33.25 C ATOM 108 CG ASP X 12 33.987 -13.230 13.759 1.00 35.71 C ATOM 109 OD1 ASP X 12 34.882 -13.573 14.565 1.00 38.25 O ATOM 110 OD2 ASP X 12 32.764 -12.937 14.085 1.00 34.88 O ATOM 111 N ALA X 13 34.378 -15.297 9.851 1.00 34.95 N ATOM 112 CA ALA X 13 34.911 -15.645 8.486 1.00 36.69 C ATOM 113 C ALA X 13 33.967 -15.206 7.307 1.00 38.52 C ATOM 114 O ALA X 13 34.313 -14.351 6.441 1.00 41.02 O ATOM 115 CB ALA X 13 35.299 -17.059 8.383 1.00 33.21 C ATOM 116 N VAL X 14 32.721 -15.650 7.410 1.00 38.67 N ATOM 117 CA VAL X 14 31.840 -15.739 6.319 1.00 38.02 C ATOM 118 C VAL X 14 31.480 -14.391 6.002 1.00 38.89 C ATOM 119 O VAL X 14 31.419 -14.011 4.845 1.00 40.59 O ATOM 120 CB VAL X 14 30.635 -16.485 6.799 1.00 38.63 C ATOM 121 CG1 VAL X 14 29.445 -16.113 5.998 1.00 38.43 C ATOM 122 CG2 VAL X 14 30.979 -18.008 6.744 1.00 36.43 C ATOM 123 N CYS X 15 31.305 -13.621 7.056 1.00 39.11 N ATOM 124 CA CYS X 15 31.006 -12.258 6.888 1.00 39.12 C ATOM 125 C CYS X 15 31.977 -11.599 6.017 1.00 39.31 C ATOM 126 O CYS X 15 31.520 -10.594 5.377 1.00 40.29 O ATOM 127 CB CYS X 15 30.964 -11.561 8.202 1.00 38.52 C ATOM 128 SG CYS X 15 29.282 -11.923 8.646 1.00 44.74 S ATOM 129 N GLU X 16 33.231 -12.140 5.956 1.00 37.83 N ATOM 130 CA GLU X 16 34.313 -11.540 5.204 1.00 40.07 C ATOM 131 C GLU X 16 34.231 -11.700 3.680 1.00 38.75 C ATOM 132 O GLU X 16 35.050 -10.979 2.922 1.00 40.27 O ATOM 133 CB GLU X 16 35.749 -11.916 5.684 1.00 40.87 C ATOM 134 CG GLU X 16 36.410 -11.087 6.920 1.00 41.74 C ATOM 135 CD GLU X 16 37.736 -11.751 7.448 1.00 46.91 C ATOM 136 OE1 GLU X 16 37.779 -12.310 8.602 1.00 58.34 O ATOM 137 OE2 GLU X 16 38.768 -11.772 6.697 1.00 57.45 O ATOM 138 N ILE X 17 33.308 -12.567 3.221 1.00 34.26 N ATOM 139 CA ILE X 17 33.371 -12.950 1.833 1.00 32.82 C ATOM 140 C ILE X 17 32.849 -11.876 0.988 1.00 33.28 C ATOM 141 O ILE X 17 31.768 -11.342 1.229 1.00 33.62 O ATOM 142 CB ILE X 17 32.691 -14.230 1.492 1.00 32.09 C ATOM 143 CG1 ILE X 17 33.045 -15.294 2.522 1.00 31.49 C ATOM 144 CG2 ILE X 17 33.091 -14.693 0.141 1.00 29.88 C ATOM 145 CD1 ILE X 17 32.505 -16.711 2.218 1.00 27.80 C ATOM 146 N PRO X 18 33.667 -11.485 0.017 1.00 35.14 N ATOM 147 CA PRO X 18 33.271 -10.337 -0.843 1.00 35.92 C ATOM 148 C PRO X 18 31.969 -10.720 -1.473 1.00 38.55 C ATOM 149 O PRO X 18 31.776 -11.903 -1.903 1.00 42.09 O ATOM 150 CB PRO X 18 34.316 -10.253 -1.908 1.00 33.56 C ATOM 151 CG PRO X 18 35.314 -11.461 -1.618 1.00 37.30 C ATOM 152 CD PRO X 18 35.005 -12.064 -0.267 1.00 34.90 C ATOM 153 N TYR X 19 31.024 -9.801 -1.458 1.00 39.09 N ATOM 154 CA TYR X 19 29.894 -9.915 -2.342 1.00 39.13 C ATOM 155 C TYR X 19 30.255 -10.571 -3.722 1.00 39.94 C ATOM 156 O TYR X 19 31.212 -10.163 -4.385 1.00 41.31 O ATOM 157 CB TYR X 19 29.418 -8.479 -2.626 1.00 37.26 C ATOM 158 CG TYR X 19 28.250 -8.394 -3.544 1.00 36.33 C ATOM 159 CD1 TYR X 19 28.365 -8.502 -4.949 1.00 34.81 C ATOM 160 CD2 TYR X 19 26.975 -8.259 -3.013 1.00 38.19 C ATOM 161 CE1 TYR X 19 27.177 -8.348 -5.796 1.00 36.49 C ATOM 162 CE2 TYR X 19 25.825 -8.099 -3.832 1.00 34.38 C ATOM 163 CZ TYR X 19 25.941 -8.124 -5.164 1.00 35.35 C ATOM 164 OH TYR X 19 24.732 -8.062 -5.780 1.00 39.69 O ATOM 165 N GLY X 20 29.467 -11.519 -4.212 1.00 40.30 N ATOM 166 CA GLY X 20 29.609 -11.910 -5.609 1.00 41.40 C ATOM 167 C GLY X 20 30.819 -12.851 -5.770 1.00 42.12 C ATOM 168 O GLY X 20 31.083 -13.354 -6.882 1.00 44.63 O ATOM 169 N LYS X 21 31.559 -13.129 -4.676 1.00 41.63 N ATOM 170 CA LYS X 21 32.610 -14.168 -4.610 1.00 38.11 C ATOM 171 C LYS X 21 32.053 -15.248 -3.702 1.00 38.30 C ATOM 172 O LYS X 21 30.984 -14.985 -2.951 1.00 38.35 O ATOM 173 CB LYS X 21 33.844 -13.572 -3.967 1.00 38.21 C ATOM 174 CG LYS X 21 34.821 -12.866 -4.972 1.00 34.68 C ATOM 175 CD LYS X 21 35.218 -13.903 -5.882 1.00 36.87 C ATOM 176 CE LYS X 21 36.175 -13.352 -6.998 1.00 45.69 C ATOM 177 NZ LYS X 21 36.995 -14.476 -7.815 1.00 35.01 N ATOM 178 N VAL X 22 32.715 -16.422 -3.713 1.00 34.40 N ATOM 179 CA VAL X 22 32.315 -17.436 -2.729 1.00 32.90 C ATOM 180 C VAL X 22 33.381 -18.214 -1.959 1.00 32.95 C ATOM 181 O VAL X 22 34.540 -18.272 -2.350 1.00 33.37 O ATOM 182 CB VAL X 22 31.390 -18.590 -3.354 1.00 33.31 C ATOM 183 CG1 VAL X 22 30.064 -18.035 -3.721 1.00 31.30 C ATOM 184 CG2 VAL X 22 32.145 -19.457 -4.569 1.00 25.68 C ATOM 185 N SER X 23 32.958 -18.946 -0.939 1.00 30.58 N ATOM 186 CA SER X 23 33.895 -19.839 -0.424 1.00 28.64 C ATOM 187 C SER X 23 33.327 -21.256 -0.152 1.00 29.97 C ATOM 188 O SER X 23 32.069 -21.455 -0.220 1.00 29.69 O ATOM 189 CB SER X 23 34.571 -19.268 0.831 1.00 26.83 C ATOM 190 OG SER X 23 35.227 -20.363 1.537 1.00 24.13 O ATOM 191 N THR X 24 34.248 -22.158 0.218 1.00 28.60 N ATOM 192 CA THR X 24 33.972 -23.495 0.526 1.00 31.63 C ATOM 193 C THR X 24 33.878 -23.898 2.026 1.00 30.89 C ATOM 194 O THR X 24 34.611 -23.394 2.941 1.00 30.21 O ATOM 195 CB THR X 24 35.040 -24.319 -0.159 1.00 32.90 C ATOM 196 OG1 THR X 24 34.475 -25.543 -0.572 1.00 40.80 O ATOM 197 CG2 THR X 24 36.197 -24.720 0.823 1.00 34.32 C ATOM 198 N TYR X 25 32.976 -24.849 2.286 1.00 31.20 N ATOM 199 CA TYR X 25 32.717 -25.348 3.698 1.00 29.57 C ATOM 200 C TYR X 25 33.984 -25.610 4.362 1.00 28.62 C ATOM 201 O TYR X 25 34.332 -25.007 5.347 1.00 27.92 O ATOM 202 CB TYR X 25 32.033 -26.689 3.687 1.00 30.51 C ATOM 203 CG TYR X 25 30.640 -26.517 3.334 1.00 29.47 C ATOM 204 CD1 TYR X 25 30.129 -26.890 2.031 1.00 33.22 C ATOM 205 CD2 TYR X 25 29.814 -25.938 4.232 1.00 26.36 C ATOM 206 CE1 TYR X 25 28.740 -26.646 1.653 1.00 28.18 C ATOM 207 CE2 TYR X 25 28.485 -25.713 3.918 1.00 29.46 C ATOM 208 CZ TYR X 25 27.963 -26.022 2.655 1.00 30.71 C ATOM 209 OH TYR X 25 26.650 -25.775 2.584 1.00 29.52 O ATOM 210 N GLY X 26 34.658 -26.568 3.752 1.00 29.14 N ATOM 211 CA GLY X 26 36.045 -26.948 4.056 1.00 28.58 C ATOM 212 C GLY X 26 37.070 -25.871 4.177 1.00 26.96 C ATOM 213 O GLY X 26 37.761 -25.876 5.110 1.00 29.39 O ATOM 214 N GLU X 27 37.117 -24.895 3.305 1.00 26.47 N ATOM 215 CA GLU X 27 38.071 -23.790 3.502 1.00 27.66 C ATOM 216 C GLU X 27 37.942 -22.996 4.734 1.00 28.67 C ATOM 217 O GLU X 27 38.949 -22.485 5.311 1.00 29.70 O ATOM 218 CB GLU X 27 37.893 -22.790 2.429 1.00 25.93 C ATOM 219 CG GLU X 27 38.728 -23.215 1.342 1.00 31.00 C ATOM 220 CD GLU X 27 40.265 -23.074 1.575 1.00 34.83 C ATOM 221 OE1 GLU X 27 40.807 -21.899 1.870 1.00 30.45 O ATOM 222 OE2 GLU X 27 40.869 -24.178 1.299 1.00 34.22 O ATOM 223 N ILE X 28 36.706 -22.822 5.126 1.00 29.62 N ATOM 224 CA ILE X 28 36.477 -22.023 6.289 1.00 31.94 C ATOM 225 C ILE X 28 36.904 -22.873 7.453 1.00 31.55 C ATOM 226 O ILE X 28 37.592 -22.393 8.360 1.00 31.98 O ATOM 227 CB ILE X 28 34.988 -21.727 6.354 1.00 34.49 C ATOM 228 CG1 ILE X 28 34.594 -20.978 5.098 1.00 34.85 C ATOM 229 CG2 ILE X 28 34.696 -20.832 7.453 1.00 29.32 C ATOM 230 CD1 ILE X 28 35.323 -19.651 5.155 1.00 38.36 C ATOM 231 N ALA X 29 36.566 -24.153 7.410 1.00 31.11 N ATOM 232 CA ALA X 29 37.048 -25.028 8.472 1.00 30.65 C ATOM 233 C ALA X 29 38.515 -24.696 8.671 1.00 30.44 C ATOM 234 O ALA X 29 38.932 -24.119 9.689 1.00 29.97 O ATOM 235 CB ALA X 29 36.890 -26.396 8.074 1.00 30.08 C ATOM 236 N ARG X 30 39.298 -24.949 7.634 1.00 31.90 N ATOM 237 CA ARG X 30 40.721 -24.513 7.626 1.00 33.34 C ATOM 238 C ARG X 30 40.999 -23.054 8.121 1.00 32.18 C ATOM 239 O ARG X 30 41.634 -22.853 9.092 1.00 27.64 O ATOM 240 CB ARG X 30 41.303 -24.702 6.249 1.00 32.78 C ATOM 241 CG ARG X 30 42.090 -25.936 6.038 1.00 32.92 C ATOM 242 CD ARG X 30 42.728 -25.772 4.692 1.00 34.20 C ATOM 243 NE ARG X 30 41.683 -25.526 3.714 1.00 38.09 N ATOM 244 CZ ARG X 30 40.853 -26.480 3.303 1.00 40.69 C ATOM 245 NH1 ARG X 30 41.028 -27.700 3.695 1.00 36.13 N ATOM 246 NH2 ARG X 30 39.854 -26.233 2.469 1.00 49.42 N ATOM 247 N TYR X 31 40.461 -22.072 7.461 1.00 34.61 N ATOM 248 CA TYR X 31 40.634 -20.691 7.930 1.00 38.48 C ATOM 249 C TYR X 31 40.444 -20.406 9.439 1.00 36.73 C ATOM 250 O TYR X 31 41.188 -19.683 10.077 1.00 37.83 O ATOM 251 CB TYR X 31 39.646 -19.849 7.164 1.00 42.30 C ATOM 252 CG TYR X 31 39.904 -18.370 7.125 1.00 47.58 C ATOM 253 CD1 TYR X 31 40.922 -17.869 6.315 1.00 55.57 C ATOM 254 CD2 TYR X 31 39.081 -17.436 7.838 1.00 50.81 C ATOM 255 CE1 TYR X 31 41.146 -16.429 6.167 1.00 54.35 C ATOM 256 CE2 TYR X 31 39.282 -16.061 7.728 1.00 52.85 C ATOM 257 CZ TYR X 31 40.338 -15.584 6.875 1.00 53.42 C ATOM 258 OH TYR X 31 40.599 -14.270 6.665 1.00 54.42 O ATOM 259 N VAL X 32 39.472 -20.975 10.067 1.00 35.55 N ATOM 260 CA VAL X 32 39.360 -20.655 11.492 1.00 33.23 C ATOM 261 C VAL X 32 40.158 -21.601 12.377 1.00 34.67 C ATOM 262 O VAL X 32 40.050 -21.581 13.592 1.00 35.31 O ATOM 263 CB VAL X 32 37.874 -20.701 11.876 1.00 34.04 C ATOM 264 CG1 VAL X 32 37.085 -19.633 10.990 1.00 32.84 C ATOM 265 CG2 VAL X 32 37.258 -22.146 11.791 1.00 23.28 C ATOM 266 N GLY X 33 40.987 -22.464 11.786 1.00 36.40 N ATOM 267 CA GLY X 33 42.009 -23.215 12.558 1.00 35.79 C ATOM 268 C GLY X 33 41.444 -24.559 12.796 1.00 37.49 C ATOM 269 O GLY X 33 41.961 -25.418 13.495 1.00 38.01 O ATOM 270 N MET X 34 40.364 -24.822 12.103 1.00 40.19 N ATOM 271 CA MET X 34 39.689 -26.067 12.407 1.00 41.24 C ATOM 272 C MET X 34 39.618 -27.021 11.223 1.00 41.63 C ATOM 273 O MET X 34 38.531 -27.437 10.778 1.00 42.70 O ATOM 274 CB MET X 34 38.348 -25.698 13.074 1.00 40.28 C ATOM 275 CG MET X 34 38.535 -25.121 14.475 1.00 37.24 C ATOM 276 SD MET X 34 39.039 -26.426 15.690 1.00 34.52 S ATOM 277 CE MET X 34 40.694 -27.130 15.204 1.00 49.18 C ATOM 278 N PRO X 35 40.782 -27.437 10.775 1.00 41.17 N ATOM 279 CA PRO X 35 40.954 -28.049 9.430 1.00 41.22 C ATOM 280 C PRO X 35 39.965 -29.217 9.380 1.00 40.29 C ATOM 281 O PRO X 35 39.483 -29.509 8.340 1.00 40.34 O ATOM 282 CB PRO X 35 42.414 -28.644 9.419 1.00 41.62 C ATOM 283 CG PRO X 35 43.165 -27.835 10.481 1.00 42.92 C ATOM 284 CD PRO X 35 41.973 -27.484 11.613 1.00 40.29 C ATOM 285 N SER X 36 39.551 -29.844 10.477 1.00 38.87 N ATOM 286 CA SER X 36 38.647 -31.028 10.198 1.00 37.35 C ATOM 287 C SER X 36 37.102 -30.836 10.405 1.00 35.22 C ATOM 288 O SER X 36 36.306 -31.708 10.171 1.00 33.41 O ATOM 289 CB SER X 36 39.261 -32.346 10.749 1.00 34.63 C ATOM 290 OG SER X 36 39.339 -32.221 12.123 1.00 36.26 O ATOM 291 N TYR X 37 36.696 -29.623 10.737 1.00 36.16 N ATOM 292 CA TYR X 37 35.312 -29.305 11.074 1.00 35.16 C ATOM 293 C TYR X 37 34.488 -28.842 9.903 1.00 34.46 C ATOM 294 O TYR X 37 33.625 -27.993 10.032 1.00 38.84 O ATOM 295 CB TYR X 37 35.364 -28.255 12.174 1.00 36.59 C ATOM 296 CG TYR X 37 35.748 -28.995 13.461 1.00 38.89 C ATOM 297 CD1 TYR X 37 37.016 -29.624 13.570 1.00 42.62 C ATOM 298 CD2 TYR X 37 34.837 -29.182 14.491 1.00 35.66 C ATOM 299 CE1 TYR X 37 37.372 -30.398 14.664 1.00 40.66 C ATOM 300 CE2 TYR X 37 35.172 -29.916 15.576 1.00 41.77 C ATOM 301 CZ TYR X 37 36.446 -30.521 15.651 1.00 41.48 C ATOM 302 OH TYR X 37 36.767 -31.301 16.712 1.00 42.48 O ATOM 303 N ALA X 38 34.662 -29.413 8.742 1.00 31.07 N ATOM 304 CA ALA X 38 33.947 -28.884 7.604 1.00 27.58 C ATOM 305 C ALA X 38 32.439 -29.141 7.801 1.00 27.05 C ATOM 306 O ALA X 38 31.618 -28.266 7.573 1.00 26.33 O ATOM 307 CB ALA X 38 34.436 -29.616 6.407 1.00 26.93 C ATOM 308 N ARG X 39 32.070 -30.380 8.197 1.00 24.26 N ATOM 309 CA ARG X 39 30.737 -30.653 8.547 1.00 21.07 C ATOM 310 C ARG X 39 30.194 -29.606 9.578 1.00 22.88 C ATOM 311 O ARG X 39 29.042 -29.213 9.488 1.00 23.61 O ATOM 312 CB ARG X 39 30.582 -31.984 9.193 1.00 17.18 C ATOM 313 CG ARG X 39 31.011 -33.060 8.491 1.00 17.99 C ATOM 314 CD ARG X 39 30.784 -34.553 9.044 1.00 19.81 C ATOM 315 NE ARG X 39 29.559 -35.100 8.496 1.00 21.87 N ATOM 316 CZ ARG X 39 29.286 -36.286 7.878 1.00 26.02 C ATOM 317 NH1 ARG X 39 27.973 -36.478 7.402 1.00 24.52 N ATOM 318 NH2 ARG X 39 30.160 -37.285 7.804 1.00 8.02 N ATOM 319 N GLN X 40 30.960 -29.135 10.550 1.00 24.04 N ATOM 320 CA GLN X 40 30.267 -28.259 11.500 1.00 25.19 C ATOM 321 C GLN X 40 30.257 -26.848 10.975 1.00 26.44 C ATOM 322 O GLN X 40 29.296 -25.913 11.260 1.00 23.70 O ATOM 323 CB GLN X 40 30.820 -28.435 12.862 1.00 25.78 C ATOM 324 CG GLN X 40 32.037 -29.424 12.937 1.00 26.63 C ATOM 325 CD GLN X 40 31.794 -30.861 12.595 1.00 24.78 C ATOM 326 OE1 GLN X 40 31.116 -31.671 13.292 1.00 25.78 O ATOM 327 NE2 GLN X 40 32.481 -31.238 11.580 1.00 39.22 N ATOM 328 N VAL X 41 31.214 -26.680 10.033 1.00 26.10 N ATOM 329 CA VAL X 41 30.953 -25.450 9.250 1.00 26.13 C ATOM 330 C VAL X 41 29.513 -25.486 8.658 1.00 25.95 C ATOM 331 O VAL X 41 28.855 -24.486 8.706 1.00 24.96 O ATOM 332 CB VAL X 41 32.033 -24.988 8.318 1.00 26.40 C ATOM 333 CG1 VAL X 41 31.773 -23.563 7.907 1.00 24.03 C ATOM 334 CG2 VAL X 41 33.507 -25.234 8.897 1.00 24.19 C ATOM 335 N GLY X 42 29.007 -26.664 8.251 1.00 27.10 N ATOM 336 CA GLY X 42 27.743 -26.755 7.510 1.00 27.83 C ATOM 337 C GLY X 42 26.759 -26.330 8.565 1.00 30.84 C ATOM 338 O GLY X 42 26.100 -25.320 8.388 1.00 32.34 O ATOM 339 N GLN X 43 26.766 -26.966 9.750 1.00 32.29 N ATOM 340 CA GLN X 43 25.705 -26.758 10.737 1.00 33.48 C ATOM 341 C GLN X 43 25.765 -25.306 11.248 1.00 34.18 C ATOM 342 O GLN X 43 24.725 -24.695 11.446 1.00 36.25 O ATOM 343 CB GLN X 43 25.738 -27.729 11.884 1.00 33.25 C ATOM 344 CG GLN X 43 25.555 -29.241 11.590 1.00 43.76 C ATOM 345 CD GLN X 43 24.314 -29.576 10.737 1.00 54.43 C ATOM 346 OE1 GLN X 43 24.259 -29.127 9.587 1.00 61.89 O ATOM 347 NE2 GLN X 43 23.311 -30.330 11.288 1.00 52.12 N ATOM 348 N ALA X 44 26.909 -24.694 11.433 1.00 33.65 N ATOM 349 CA ALA X 44 26.798 -23.317 11.904 1.00 33.89 C ATOM 350 C ALA X 44 25.926 -22.554 10.971 1.00 35.98 C ATOM 351 O ALA X 44 25.176 -21.609 11.377 1.00 36.45 O ATOM 352 CB ALA X 44 28.108 -22.683 11.853 1.00 35.68 C ATOM 353 N MET X 45 26.043 -22.928 9.684 1.00 36.29 N ATOM 354 CA MET X 45 25.281 -22.201 8.667 1.00 36.92 C ATOM 355 C MET X 45 23.834 -22.582 8.769 1.00 35.51 C ATOM 356 O MET X 45 22.980 -21.746 8.788 1.00 33.79 O ATOM 357 CB MET X 45 25.628 -22.651 7.251 1.00 38.23 C ATOM 358 CG MET X 45 26.962 -22.334 6.941 1.00 35.41 C ATOM 359 SD MET X 45 27.083 -20.527 6.699 1.00 34.05 S ATOM 360 CE MET X 45 28.440 -20.328 7.903 1.00 38.16 C ATOM 361 N LYS X 46 23.607 -23.875 8.754 1.00 33.42 N ATOM 362 CA LYS X 46 22.345 -24.266 8.991 1.00 33.74 C ATOM 363 C LYS X 46 21.768 -23.424 10.139 1.00 35.33 C ATOM 364 O LYS X 46 20.771 -22.834 9.931 1.00 37.02 O ATOM 365 CB LYS X 46 22.344 -25.692 9.252 1.00 32.61 C ATOM 366 CG LYS X 46 21.026 -26.127 9.091 1.00 33.57 C ATOM 367 CD LYS X 46 20.910 -27.385 9.925 1.00 39.17 C ATOM 368 CE LYS X 46 20.737 -28.508 8.948 1.00 40.63 C ATOM 369 NZ LYS X 46 19.901 -29.336 9.738 1.00 42.63 N ATOM 370 N HIS X 47 22.351 -23.210 11.295 1.00 36.36 N ATOM 371 CA HIS X 47 21.480 -22.538 12.292 1.00 39.30 C ATOM 372 C HIS X 47 21.312 -21.078 12.242 1.00 38.37 C ATOM 373 O HIS X 47 21.335 -20.510 13.291 1.00 38.33 O ATOM 374 CB HIS X 47 22.092 -22.623 13.661 1.00 41.07 C ATOM 375 CG HIS X 47 22.484 -23.985 14.016 1.00 48.73 C ATOM 376 ND1 HIS X 47 22.635 -24.388 15.323 1.00 58.95 N ATOM 377 CD2 HIS X 47 22.702 -25.076 13.235 1.00 54.81 C ATOM 378 CE1 HIS X 47 22.947 -25.681 15.330 1.00 62.47 C ATOM 379 NE2 HIS X 47 22.982 -26.123 14.075 1.00 57.73 N ATOM 380 N LEU X 48 21.222 -20.406 11.149 1.00 38.53 N ATOM 381 CA LEU X 48 21.112 -19.064 11.452 1.00 42.06 C ATOM 382 C LEU X 48 19.661 -18.601 11.463 1.00 46.61 C ATOM 383 O LEU X 48 18.741 -19.236 10.920 1.00 46.92 O ATOM 384 CB LEU X 48 21.935 -18.236 10.564 1.00 40.52 C ATOM 385 CG LEU X 48 23.359 -18.697 10.476 1.00 36.83 C ATOM 386 CD1 LEU X 48 23.692 -18.947 8.981 1.00 26.61 C ATOM 387 CD2 LEU X 48 24.187 -17.579 11.052 1.00 25.04 C ATOM 388 N HIS X 49 19.410 -17.497 12.128 1.00 50.72 N ATOM 389 CA HIS X 49 18.057 -17.081 11.975 1.00 54.89 C ATOM 390 C HIS X 49 17.771 -16.611 10.525 1.00 55.18 C ATOM 391 O HIS X 49 18.670 -16.096 9.787 1.00 55.13 O ATOM 392 CB HIS X 49 17.591 -16.251 13.131 1.00 55.18 C ATOM 393 CG HIS X 49 17.492 -17.065 14.392 1.00 64.10 C ATOM 394 ND1 HIS X 49 17.896 -16.602 15.648 1.00 71.16 N ATOM 395 CD2 HIS X 49 17.046 -18.341 14.591 1.00 67.79 C ATOM 396 CE1 HIS X 49 17.666 -17.541 16.564 1.00 71.49 C ATOM 397 NE2 HIS X 49 17.163 -18.611 15.948 1.00 71.66 N ATOM 398 N PRO X 50 16.554 -16.908 10.066 1.00 54.94 N ATOM 399 CA PRO X 50 16.574 -16.434 8.716 1.00 55.10 C ATOM 400 C PRO X 50 16.591 -14.853 8.699 1.00 55.69 C ATOM 401 O PRO X 50 16.118 -14.239 7.780 1.00 56.47 O ATOM 402 CB PRO X 50 15.355 -17.138 8.082 1.00 53.98 C ATOM 403 CG PRO X 50 14.818 -18.099 9.174 1.00 54.09 C ATOM 404 CD PRO X 50 15.287 -17.559 10.475 1.00 53.36 C ATOM 405 N GLU X 51 17.179 -14.174 9.680 1.00 56.38 N ATOM 406 CA GLU X 51 17.164 -12.658 9.654 1.00 56.54 C ATOM 407 C GLU X 51 18.507 -12.244 9.109 1.00 55.56 C ATOM 408 O GLU X 51 18.713 -11.167 8.452 1.00 55.08 O ATOM 409 CB GLU X 51 17.058 -12.046 11.068 1.00 56.66 C ATOM 410 CG GLU X 51 15.639 -11.986 11.650 1.00 63.04 C ATOM 411 CD GLU X 51 15.020 -13.378 12.093 1.00 71.36 C ATOM 412 OE1 GLU X 51 13.758 -13.478 12.044 1.00 68.45 O ATOM 413 OE2 GLU X 51 15.763 -14.358 12.490 1.00 75.32 O ATOM 414 N THR X 52 19.420 -13.166 9.419 1.00 53.42 N ATOM 415 CA THR X 52 20.801 -12.857 9.500 1.00 50.60 C ATOM 416 C THR X 52 21.344 -12.033 8.339 1.00 49.69 C ATOM 417 O THR X 52 21.079 -12.247 7.172 1.00 47.72 O ATOM 418 CB THR X 52 21.589 -14.094 9.591 1.00 49.72 C ATOM 419 OG1 THR X 52 22.859 -13.780 9.092 1.00 49.52 O ATOM 420 CG2 THR X 52 21.003 -15.137 8.713 1.00 47.17 C ATOM 421 N HIS X 53 22.143 -11.081 8.737 1.00 49.18 N ATOM 422 CA HIS X 53 23.067 -10.468 7.862 1.00 49.36 C ATOM 423 C HIS X 53 24.297 -11.345 7.444 1.00 48.38 C ATOM 424 O HIS X 53 25.159 -10.902 6.756 1.00 50.30 O ATOM 425 CB HIS X 53 23.348 -9.164 8.560 1.00 49.87 C ATOM 426 CG HIS X 53 22.055 -8.404 8.778 1.00 58.96 C ATOM 427 ND1 HIS X 53 21.103 -8.243 7.760 1.00 59.15 N ATOM 428 CD2 HIS X 53 21.492 -7.881 9.907 1.00 62.80 C ATOM 429 CE1 HIS X 53 20.061 -7.593 8.242 1.00 61.20 C ATOM 430 NE2 HIS X 53 20.263 -7.372 9.542 1.00 64.13 N ATOM 431 N VAL X 54 24.378 -12.618 7.781 1.00 45.62 N ATOM 432 CA VAL X 54 25.556 -13.334 7.371 1.00 42.61 C ATOM 433 C VAL X 54 25.269 -14.049 6.049 1.00 39.92 C ATOM 434 O VAL X 54 24.230 -14.776 5.953 1.00 40.78 O ATOM 435 CB VAL X 54 26.054 -14.347 8.506 1.00 44.21 C ATOM 436 CG1 VAL X 54 27.566 -14.764 8.328 1.00 44.01 C ATOM 437 CG2 VAL X 54 25.869 -13.736 9.820 1.00 39.02 C ATOM 438 N PRO X 55 26.193 -13.871 5.063 1.00 35.79 N ATOM 439 CA PRO X 55 26.045 -14.286 3.700 1.00 33.63 C ATOM 440 C PRO X 55 26.107 -15.819 3.571 1.00 34.95 C ATOM 441 O PRO X 55 26.907 -16.341 2.752 1.00 34.55 O ATOM 442 CB PRO X 55 27.281 -13.759 3.071 1.00 31.00 C ATOM 443 CG PRO X 55 28.092 -13.204 4.060 1.00 31.25 C ATOM 444 CD PRO X 55 27.496 -13.226 5.310 1.00 35.01 C ATOM 445 N TRP X 56 25.349 -16.575 4.388 1.00 33.52 N ATOM 446 CA TRP X 56 25.508 -18.016 4.326 1.00 32.15 C ATOM 447 C TRP X 56 25.498 -18.610 2.840 1.00 32.97 C ATOM 448 O TRP X 56 25.941 -19.795 2.562 1.00 28.88 O ATOM 449 CB TRP X 56 24.374 -18.674 5.103 1.00 32.25 C ATOM 450 CG TRP X 56 23.163 -18.140 4.752 1.00 29.97 C ATOM 451 CD1 TRP X 56 22.627 -17.030 5.285 1.00 36.77 C ATOM 452 CD2 TRP X 56 22.341 -18.512 3.660 1.00 35.51 C ATOM 453 NE1 TRP X 56 21.430 -16.701 4.647 1.00 42.96 N ATOM 454 CE2 TRP X 56 21.208 -17.630 3.661 1.00 41.13 C ATOM 455 CE3 TRP X 56 22.420 -19.482 2.668 1.00 32.05 C ATOM 456 CZ2 TRP X 56 20.153 -17.735 2.734 1.00 32.46 C ATOM 457 CZ3 TRP X 56 21.319 -19.584 1.754 1.00 35.15 C ATOM 458 CH2 TRP X 56 20.232 -18.714 1.811 1.00 30.21 C ATOM 459 N HIS X 57 24.862 -17.846 1.930 1.00 33.11 N ATOM 460 CA HIS X 57 24.668 -18.301 0.553 1.00 32.32 C ATOM 461 C HIS X 57 25.981 -18.266 -0.212 1.00 31.43 C ATOM 462 O HIS X 57 25.988 -18.814 -1.338 1.00 30.81 O ATOM 463 CB HIS X 57 23.737 -17.350 -0.236 1.00 33.77 C ATOM 464 CG HIS X 57 24.071 -15.892 -0.094 1.00 34.45 C ATOM 465 ND1 HIS X 57 23.934 -15.201 1.102 1.00 38.48 N ATOM 466 CD2 HIS X 57 24.517 -14.990 -0.991 1.00 33.97 C ATOM 467 CE1 HIS X 57 24.231 -13.930 0.905 1.00 34.11 C ATOM 468 NE2 HIS X 57 24.561 -13.767 -0.360 1.00 30.22 N ATOM 469 N ARG X 58 27.046 -17.623 0.336 1.00 27.22 N ATOM 470 CA ARG X 58 28.370 -17.631 -0.302 1.00 26.14 C ATOM 471 C ARG X 58 29.277 -18.803 0.089 1.00 25.31 C ATOM 472 O ARG X 58 30.534 -18.939 -0.298 1.00 24.50 O ATOM 473 CB ARG X 58 29.078 -16.339 0.003 1.00 26.93 C ATOM 474 CG ARG X 58 28.193 -15.237 -0.255 1.00 30.09 C ATOM 475 CD ARG X 58 29.036 -14.300 -0.917 1.00 36.39 C ATOM 476 NE ARG X 58 29.323 -13.217 0.024 1.00 37.09 N ATOM 477 CZ ARG X 58 28.527 -12.166 0.293 1.00 32.49 C ATOM 478 NH1 ARG X 58 27.295 -12.056 -0.264 1.00 20.82 N ATOM 479 NH2 ARG X 58 29.032 -11.259 1.175 1.00 28.63 N ATOM 480 N VAL X 59 28.609 -19.677 0.803 1.00 22.71 N ATOM 481 CA VAL X 59 29.244 -20.871 1.226 1.00 24.40 C ATOM 482 C VAL X 59 28.762 -22.076 0.511 1.00 24.84 C ATOM 483 O VAL X 59 27.592 -22.362 0.633 1.00 28.23 O ATOM 484 CB VAL X 59 29.135 -21.145 2.700 1.00 21.73 C ATOM 485 CG1 VAL X 59 30.234 -22.190 3.071 1.00 24.02 C ATOM 486 CG2 VAL X 59 29.408 -19.869 3.464 1.00 22.31 C ATOM 487 N ILE X 60 29.656 -22.817 -0.158 1.00 25.26 N ATOM 488 CA ILE X 60 29.257 -24.023 -0.933 1.00 26.19 C ATOM 489 C ILE X 60 30.221 -25.249 -0.763 1.00 27.72 C ATOM 490 O ILE X 60 31.227 -25.205 0.076 1.00 26.74 O ATOM 491 CB ILE X 60 29.046 -23.728 -2.396 1.00 25.18 C ATOM 492 CG1 ILE X 60 30.397 -23.589 -3.041 1.00 30.16 C ATOM 493 CG2 ILE X 60 28.407 -22.376 -2.523 1.00 22.37 C ATOM 494 CD1 ILE X 60 30.375 -22.905 -4.462 1.00 36.55 C ATOM 495 N ASN X 61 29.892 -26.306 -1.516 1.00 26.62 N ATOM 496 CA ASN X 61 30.471 -27.505 -1.228 1.00 29.14 C ATOM 497 C ASN X 61 31.778 -27.570 -2.034 1.00 30.05 C ATOM 498 O ASN X 61 31.969 -26.914 -3.061 1.00 28.99 O ATOM 499 CB ASN X 61 29.529 -28.642 -1.583 1.00 30.74 C ATOM 500 CG ASN X 61 29.749 -29.034 -2.975 1.00 35.90 C ATOM 501 OD1 ASN X 61 29.224 -28.431 -3.857 1.00 47.49 O ATOM 502 ND2 ASN X 61 30.622 -29.959 -3.203 1.00 43.64 N ATOM 503 N SER X 62 32.724 -28.375 -1.578 1.00 31.66 N ATOM 504 CA SER X 62 34.027 -28.076 -2.082 1.00 34.73 C ATOM 505 C SER X 62 34.214 -28.517 -3.558 1.00 35.23 C ATOM 506 O SER X 62 35.291 -28.364 -4.058 1.00 36.48 O ATOM 507 CB SER X 62 35.090 -28.662 -1.131 1.00 34.77 C ATOM 508 OG SER X 62 35.034 -30.047 -1.473 1.00 44.86 O ATOM 509 N ARG X 63 33.233 -29.143 -4.232 1.00 35.57 N ATOM 510 CA ARG X 63 33.219 -29.303 -5.719 1.00 33.25 C ATOM 511 C ARG X 63 32.562 -28.113 -6.337 1.00 34.02 C ATOM 512 O ARG X 63 32.244 -28.113 -7.511 1.00 36.17 O ATOM 513 CB ARG X 63 32.328 -30.415 -6.087 1.00 29.74 C ATOM 514 CG ARG X 63 32.862 -31.552 -5.416 1.00 34.67 C ATOM 515 CD ARG X 63 31.779 -32.374 -4.706 1.00 41.76 C ATOM 516 NE ARG X 63 30.908 -32.635 -5.803 1.00 55.58 N ATOM 517 CZ ARG X 63 29.738 -33.227 -5.720 1.00 63.29 C ATOM 518 NH1 ARG X 63 29.308 -33.628 -4.490 1.00 64.39 N ATOM 519 NH2 ARG X 63 29.044 -33.404 -6.880 1.00 61.16 N ATOM 520 N GLY X 64 32.290 -27.077 -5.589 1.00 32.73 N ATOM 521 CA GLY X 64 31.773 -25.961 -6.308 1.00 32.61 C ATOM 522 C GLY X 64 30.327 -26.008 -6.764 1.00 32.70 C ATOM 523 O GLY X 64 29.911 -25.230 -7.658 1.00 31.38 O ATOM 524 N THR X 65 29.567 -26.896 -6.140 1.00 33.17 N ATOM 525 CA THR X 65 28.104 -26.926 -6.305 1.00 34.27 C ATOM 526 C THR X 65 27.304 -26.553 -5.027 1.00 35.99 C ATOM 527 O THR X 65 27.933 -25.981 -3.990 1.00 38.43 O ATOM 528 CB THR X 65 27.694 -28.238 -6.785 1.00 33.48 C ATOM 529 OG1 THR X 65 27.499 -29.040 -5.669 1.00 37.66 O ATOM 530 CG2 THR X 65 28.829 -28.847 -7.678 1.00 35.11 C ATOM 531 N ILE X 66 25.971 -26.738 -5.051 1.00 34.41 N ATOM 532 CA ILE X 66 25.190 -26.216 -3.911 1.00 34.08 C ATOM 533 C ILE X 66 24.676 -27.450 -3.274 1.00 36.68 C ATOM 534 O ILE X 66 24.261 -28.415 -4.005 1.00 36.14 O ATOM 535 CB ILE X 66 24.015 -25.380 -4.353 1.00 33.74 C ATOM 536 CG1 ILE X 66 24.463 -23.974 -4.688 1.00 32.82 C ATOM 537 CG2 ILE X 66 22.926 -25.234 -3.334 1.00 26.83 C ATOM 538 CD1 ILE X 66 23.308 -23.263 -5.374 1.00 17.38 C ATOM 539 N SER X 67 24.698 -27.452 -1.926 1.00 38.78 N ATOM 540 CA SER X 67 24.588 -28.744 -1.247 1.00 39.73 C ATOM 541 C SER X 67 23.194 -29.178 -1.154 1.00 41.21 C ATOM 542 O SER X 67 22.292 -28.370 -0.929 1.00 42.20 O ATOM 543 CB SER X 67 25.270 -28.727 0.092 1.00 39.80 C ATOM 544 OG SER X 67 26.665 -28.804 -0.147 1.00 39.16 O ATOM 545 N LYS X 68 22.989 -30.479 -1.336 1.00 43.73 N ATOM 546 CA LYS X 68 21.626 -30.970 -1.526 1.00 44.11 C ATOM 547 C LYS X 68 20.896 -30.747 -0.288 1.00 44.80 C ATOM 548 O LYS X 68 19.709 -30.753 -0.330 1.00 48.92 O ATOM 549 CB LYS X 68 21.510 -32.400 -2.071 1.00 44.33 C ATOM 550 CG LYS X 68 21.866 -32.596 -3.674 1.00 47.55 C ATOM 551 CD LYS X 68 20.707 -32.278 -4.750 1.00 49.61 C ATOM 552 CE LYS X 68 21.011 -31.298 -5.948 1.00 45.37 C ATOM 553 NZ LYS X 68 21.492 -29.788 -5.722 1.00 40.89 N ATOM 554 N ARG X 69 21.476 -30.410 0.834 1.00 44.90 N ATOM 555 CA ARG X 69 20.495 -29.749 1.774 1.00 46.39 C ATOM 556 C ARG X 69 19.167 -30.458 1.905 1.00 46.64 C ATOM 557 O ARG X 69 18.206 -29.907 2.323 1.00 44.92 O ATOM 558 CB ARG X 69 20.148 -28.265 1.450 1.00 45.68 C ATOM 559 CG ARG X 69 20.248 -27.510 2.674 1.00 40.68 C ATOM 560 CD ARG X 69 19.803 -26.166 2.582 1.00 42.52 C ATOM 561 NE ARG X 69 20.827 -25.144 2.264 1.00 43.56 N ATOM 562 CZ ARG X 69 21.810 -25.180 1.332 1.00 37.63 C ATOM 563 NH1 ARG X 69 22.086 -26.250 0.594 1.00 38.63 N ATOM 564 NH2 ARG X 69 22.530 -24.087 1.126 1.00 31.16 N ATOM 565 N ASP X 70 19.230 -31.725 1.542 1.00 50.13 N ATOM 566 CA ASP X 70 18.237 -32.835 1.817 1.00 52.64 C ATOM 567 C ASP X 70 16.952 -32.347 2.289 1.00 50.69 C ATOM 568 O ASP X 70 16.261 -31.659 1.523 1.00 51.46 O ATOM 569 CB ASP X 70 18.687 -34.079 2.783 1.00 55.15 C ATOM 570 CG ASP X 70 20.108 -33.892 3.544 1.00 56.67 C ATOM 571 OD1 ASP X 70 21.256 -34.093 2.859 1.00 53.55 O ATOM 572 OD2 ASP X 70 19.972 -33.595 4.811 1.00 54.10 O ATOM 573 N ILE X 71 16.643 -32.711 3.530 1.00 47.66 N ATOM 574 CA ILE X 71 15.415 -32.248 4.050 1.00 44.37 C ATOM 575 C ILE X 71 14.952 -31.263 2.861 1.00 44.80 C ATOM 576 O ILE X 71 15.400 -30.082 2.822 1.00 45.01 O ATOM 577 CB ILE X 71 15.639 -31.681 5.495 1.00 43.95 C ATOM 578 CG1 ILE X 71 16.338 -32.810 6.411 1.00 42.58 C ATOM 579 CG2 ILE X 71 14.282 -31.134 6.046 1.00 42.06 C ATOM 580 CD1 ILE X 71 16.929 -32.457 8.027 1.00 42.55 C ATOM 581 N SER X 72 14.177 -31.741 1.852 1.00 41.26 N ATOM 582 CA SER X 72 13.545 -30.773 0.900 1.00 39.33 C ATOM 583 C SER X 72 14.425 -29.741 -0.071 1.00 37.27 C ATOM 584 O SER X 72 15.637 -29.526 0.159 1.00 37.92 O ATOM 585 CB SER X 72 12.431 -30.075 1.729 1.00 40.13 C ATOM 586 OG SER X 72 12.933 -28.807 2.245 1.00 38.76 O ATOM 587 N ALA X 73 13.818 -29.177 -1.148 1.00 33.18 N ATOM 588 CA ALA X 73 14.451 -28.388 -2.199 1.00 33.05 C ATOM 589 C ALA X 73 14.785 -26.853 -1.842 1.00 34.26 C ATOM 590 O ALA X 73 15.697 -26.227 -2.412 1.00 36.51 O ATOM 591 CB ALA X 73 13.670 -28.572 -3.462 1.00 27.45 C ATOM 592 N GLY X 74 14.105 -26.212 -0.903 1.00 34.31 N ATOM 593 CA GLY X 74 14.496 -24.896 -0.372 1.00 34.10 C ATOM 594 C GLY X 74 15.781 -24.077 -0.613 1.00 35.50 C ATOM 595 O GLY X 74 15.563 -22.878 -0.920 1.00 33.16 O ATOM 596 N GLU X 75 17.061 -24.588 -0.361 1.00 36.22 N ATOM 597 CA GLU X 75 18.395 -24.221 -1.185 1.00 35.81 C ATOM 598 C GLU X 75 18.329 -23.925 -2.800 1.00 38.21 C ATOM 599 O GLU X 75 19.368 -23.637 -3.491 1.00 35.78 O ATOM 600 CB GLU X 75 19.188 -25.456 -1.299 1.00 36.16 C ATOM 601 CG GLU X 75 19.312 -26.003 -2.768 1.00 37.37 C ATOM 602 CD GLU X 75 19.191 -27.601 -2.875 1.00 52.74 C ATOM 603 OE1 GLU X 75 19.430 -28.192 -4.031 1.00 52.72 O ATOM 604 OE2 GLU X 75 18.783 -28.254 -1.830 1.00 53.64 O ATOM 605 N GLN X 76 17.108 -24.051 -3.415 1.00 38.12 N ATOM 606 CA GLN X 76 16.783 -23.151 -4.531 1.00 37.73 C ATOM 607 C GLN X 76 17.168 -21.749 -4.038 1.00 36.69 C ATOM 608 O GLN X 76 17.842 -20.922 -4.703 1.00 35.89 O ATOM 609 CB GLN X 76 15.280 -23.161 -4.825 1.00 38.65 C ATOM 610 CG GLN X 76 14.760 -22.326 -6.060 1.00 38.73 C ATOM 611 CD GLN X 76 15.436 -22.740 -7.343 1.00 42.22 C ATOM 612 OE1 GLN X 76 16.064 -21.934 -7.994 1.00 47.34 O ATOM 613 NE2 GLN X 76 15.391 -24.018 -7.656 1.00 39.05 N ATOM 614 N ARG X 77 16.778 -21.543 -2.811 1.00 34.46 N ATOM 615 CA ARG X 77 17.044 -20.294 -2.245 1.00 35.72 C ATOM 616 C ARG X 77 18.421 -19.786 -2.330 1.00 35.03 C ATOM 617 O ARG X 77 18.553 -18.546 -2.636 1.00 35.15 O ATOM 618 CB ARG X 77 16.644 -20.199 -0.803 1.00 36.82 C ATOM 619 CG ARG X 77 16.407 -18.747 -0.471 1.00 38.38 C ATOM 620 CD ARG X 77 16.102 -18.650 0.974 1.00 45.91 C ATOM 621 NE ARG X 77 15.324 -19.830 1.334 1.00 52.84 N ATOM 622 CZ ARG X 77 14.005 -19.812 1.579 1.00 55.22 C ATOM 623 NH1 ARG X 77 13.325 -18.644 1.515 1.00 58.94 N ATOM 624 NH2 ARG X 77 13.372 -20.948 1.927 1.00 50.59 N ATOM 625 N GLN X 78 19.417 -20.674 -2.056 1.00 33.64 N ATOM 626 CA GLN X 78 20.843 -20.281 -2.203 1.00 30.56 C ATOM 627 C GLN X 78 21.158 -19.836 -3.604 1.00 31.72 C ATOM 628 O GLN X 78 21.805 -18.787 -3.806 1.00 32.84 O ATOM 629 CB GLN X 78 21.764 -21.436 -1.972 1.00 30.44 C ATOM 630 CG GLN X 78 23.196 -20.974 -1.698 1.00 30.54 C ATOM 631 CD GLN X 78 24.145 -21.986 -1.009 1.00 30.28 C ATOM 632 OE1 GLN X 78 23.785 -23.131 -0.794 1.00 39.43 O ATOM 633 NE2 GLN X 78 25.341 -21.560 -0.677 1.00 28.95 N ATOM 634 N LYS X 79 20.758 -20.623 -4.621 1.00 31.71 N ATOM 635 CA LYS X 79 21.073 -20.216 -6.008 1.00 29.75 C ATOM 636 C LYS X 79 20.395 -18.861 -6.347 1.00 33.11 C ATOM 637 O LYS X 79 21.011 -18.028 -7.028 1.00 33.06 O ATOM 638 CB LYS X 79 20.565 -21.289 -6.962 1.00 28.58 C ATOM 639 CG LYS X 79 19.954 -20.721 -8.216 1.00 25.65 C ATOM 640 CD LYS X 79 19.896 -21.650 -9.357 1.00 28.57 C ATOM 641 CE LYS X 79 19.539 -20.799 -10.612 1.00 37.92 C ATOM 642 NZ LYS X 79 18.210 -20.018 -10.513 1.00 41.46 N ATOM 643 N ASP X 80 19.132 -18.647 -5.898 1.00 35.01 N ATOM 644 CA ASP X 80 18.375 -17.568 -6.454 1.00 38.86 C ATOM 645 C ASP X 80 19.067 -16.362 -5.981 1.00 40.99 C ATOM 646 O ASP X 80 18.835 -15.206 -6.501 1.00 40.11 O ATOM 647 CB ASP X 80 16.958 -17.552 -5.929 1.00 40.41 C ATOM 648 CG ASP X 80 16.172 -18.690 -6.462 1.00 42.93 C ATOM 649 OD1 ASP X 80 16.741 -19.298 -7.435 1.00 46.56 O ATOM 650 OD2 ASP X 80 15.074 -19.005 -5.927 1.00 34.00 O ATOM 651 N ARG X 81 19.961 -16.666 -5.017 1.00 41.98 N ATOM 652 CA ARG X 81 20.542 -15.633 -4.180 1.00 43.73 C ATOM 653 C ARG X 81 21.876 -15.202 -4.700 1.00 43.96 C ATOM 654 O ARG X 81 22.200 -13.990 -4.859 1.00 43.59 O ATOM 655 CB ARG X 81 20.578 -16.090 -2.745 1.00 42.76 C ATOM 656 CG ARG X 81 19.378 -15.580 -1.981 1.00 45.59 C ATOM 657 CD ARG X 81 19.862 -14.366 -1.229 1.00 48.23 C ATOM 658 NE ARG X 81 20.015 -14.668 0.210 1.00 58.64 N ATOM 659 CZ ARG X 81 20.579 -13.853 1.135 1.00 61.58 C ATOM 660 NH1 ARG X 81 21.052 -12.638 0.774 1.00 60.39 N ATOM 661 NH2 ARG X 81 20.680 -14.259 2.426 1.00 58.79 N ATOM 662 N LEU X 82 22.641 -16.230 -5.008 1.00 44.40 N ATOM 663 CA LEU X 82 23.911 -15.985 -5.591 1.00 45.02 C ATOM 664 C LEU X 82 23.780 -15.377 -6.993 1.00 45.84 C ATOM 665 O LEU X 82 24.663 -14.614 -7.438 1.00 46.95 O ATOM 666 CB LEU X 82 24.585 -17.288 -5.692 1.00 43.83 C ATOM 667 CG LEU X 82 25.275 -17.868 -4.487 1.00 41.68 C ATOM 668 CD1 LEU X 82 25.176 -19.339 -4.687 1.00 40.22 C ATOM 669 CD2 LEU X 82 26.771 -17.516 -4.346 1.00 34.91 C ATOM 670 N GLU X 83 22.684 -15.716 -7.689 1.00 45.56 N ATOM 671 CA GLU X 83 22.407 -15.086 -8.969 1.00 43.71 C ATOM 672 C GLU X 83 22.065 -13.660 -8.634 1.00 44.25 C ATOM 673 O GLU X 83 22.326 -12.826 -9.451 1.00 45.94 O ATOM 674 CB GLU X 83 21.279 -15.750 -9.661 1.00 41.99 C ATOM 675 CG GLU X 83 21.519 -17.106 -10.243 1.00 43.55 C ATOM 676 CD GLU X 83 20.462 -17.551 -11.346 1.00 45.84 C ATOM 677 OE1 GLU X 83 20.749 -18.467 -12.169 1.00 45.27 O ATOM 678 OE2 GLU X 83 19.339 -16.972 -11.425 1.00 49.43 O ATOM 679 N GLU X 84 21.553 -13.306 -7.444 1.00 44.27 N ATOM 680 CA GLU X 84 21.241 -11.878 -7.273 1.00 45.36 C ATOM 681 C GLU X 84 22.527 -11.133 -7.160 1.00 43.87 C ATOM 682 O GLU X 84 22.554 -9.960 -7.059 1.00 42.84 O ATOM 683 CB GLU X 84 20.409 -11.581 -6.051 1.00 44.68 C ATOM 684 CG GLU X 84 18.942 -11.826 -6.223 1.00 48.08 C ATOM 685 CD GLU X 84 18.145 -12.005 -4.802 1.00 51.20 C ATOM 686 OE1 GLU X 84 16.806 -11.869 -4.788 1.00 45.68 O ATOM 687 OE2 GLU X 84 18.896 -12.228 -3.731 1.00 52.47 O ATOM 688 N GLU X 85 23.642 -11.829 -7.135 1.00 45.71 N ATOM 689 CA GLU X 85 24.924 -11.108 -7.056 1.00 45.65 C ATOM 690 C GLU X 85 25.549 -11.410 -8.304 1.00 44.43 C ATOM 691 O GLU X 85 26.709 -11.567 -8.302 1.00 46.13 O ATOM 692 CB GLU X 85 25.800 -11.582 -5.889 1.00 44.08 C ATOM 693 CG GLU X 85 24.945 -11.743 -4.587 1.00 47.24 C ATOM 694 CD GLU X 85 25.734 -11.736 -3.232 1.00 47.86 C ATOM 695 OE1 GLU X 85 26.955 -12.046 -3.212 1.00 46.46 O ATOM 696 OE2 GLU X 85 25.101 -11.461 -2.163 1.00 48.93 O ATOM 697 N GLY X 86 24.761 -11.503 -9.364 1.00 44.54 N ATOM 698 CA GLY X 86 25.268 -11.675 -10.708 1.00 46.46 C ATOM 699 C GLY X 86 26.214 -12.903 -10.864 1.00 48.04 C ATOM 700 O GLY X 86 26.902 -13.049 -11.890 1.00 49.75 O ATOM 701 N VAL X 87 26.268 -13.809 -9.891 1.00 47.28 N ATOM 702 CA VAL X 87 27.092 -14.989 -10.051 1.00 46.80 C ATOM 703 C VAL X 87 26.459 -15.871 -11.091 1.00 48.13 C ATOM 704 O VAL X 87 25.258 -15.900 -11.213 1.00 49.79 O ATOM 705 CB VAL X 87 27.102 -15.761 -8.731 1.00 47.74 C ATOM 706 CG1 VAL X 87 27.490 -17.280 -8.900 1.00 45.17 C ATOM 707 CG2 VAL X 87 27.999 -15.035 -7.767 1.00 43.88 C ATOM 708 N GLU X 88 27.227 -16.618 -11.860 1.00 48.00 N ATOM 709 CA GLU X 88 26.556 -17.327 -12.873 1.00 47.27 C ATOM 710 C GLU X 88 26.483 -18.738 -12.452 1.00 46.42 C ATOM 711 O GLU X 88 27.458 -19.288 -11.951 1.00 48.07 O ATOM 712 CB GLU X 88 27.313 -17.117 -14.124 1.00 46.48 C ATOM 713 CG GLU X 88 26.826 -18.027 -15.267 1.00 54.13 C ATOM 714 CD GLU X 88 27.987 -18.215 -16.328 1.00 60.40 C ATOM 715 OE1 GLU X 88 28.738 -17.200 -16.523 1.00 61.46 O ATOM 716 OE2 GLU X 88 28.184 -19.363 -16.865 1.00 55.30 O ATOM 717 N ILE X 89 25.350 -19.366 -12.653 1.00 45.44 N ATOM 718 CA ILE X 89 25.197 -20.771 -12.200 1.00 45.02 C ATOM 719 C ILE X 89 24.572 -21.590 -13.254 1.00 45.49 C ATOM 720 O ILE X 89 23.668 -21.146 -13.868 1.00 46.30 O ATOM 721 CB ILE X 89 24.241 -20.791 -11.026 1.00 44.78 C ATOM 722 CG1 ILE X 89 24.938 -20.107 -9.884 1.00 43.38 C ATOM 723 CG2 ILE X 89 23.606 -22.237 -10.631 1.00 42.07 C ATOM 724 CD1 ILE X 89 24.021 -19.299 -8.982 1.00 40.67 C ATOM 725 N TYR X 90 25.018 -22.788 -13.481 1.00 46.68 N ATOM 726 CA TYR X 90 24.246 -23.640 -14.345 1.00 49.34 C ATOM 727 C TYR X 90 23.941 -24.937 -13.638 1.00 49.45 C ATOM 728 O TYR X 90 24.040 -25.019 -12.407 1.00 49.02 O ATOM 729 CB TYR X 90 24.969 -23.843 -15.656 1.00 51.59 C ATOM 730 CG TYR X 90 26.308 -24.337 -15.329 1.00 57.05 C ATOM 731 CD1 TYR X 90 27.332 -23.385 -14.871 1.00 60.10 C ATOM 732 CD2 TYR X 90 26.579 -25.761 -15.328 1.00 58.20 C ATOM 733 CE1 TYR X 90 28.642 -23.816 -14.440 1.00 60.20 C ATOM 734 CE2 TYR X 90 27.905 -26.258 -14.923 1.00 61.29 C ATOM 735 CZ TYR X 90 28.951 -25.282 -14.451 1.00 62.02 C ATOM 736 OH TYR X 90 30.250 -25.743 -14.016 1.00 57.66 O ATOM 737 N GLN X 91 23.578 -25.939 -14.412 1.00 51.48 N ATOM 738 CA GLN X 91 22.804 -27.114 -13.918 1.00 55.19 C ATOM 739 C GLN X 91 23.363 -28.363 -14.410 1.00 53.77 C ATOM 740 O GLN X 91 24.065 -28.348 -15.306 1.00 54.74 O ATOM 741 CB GLN X 91 21.362 -27.084 -14.381 1.00 55.18 C ATOM 742 CG GLN X 91 20.692 -25.789 -13.963 1.00 63.82 C ATOM 743 CD GLN X 91 20.844 -24.573 -15.002 1.00 73.96 C ATOM 744 OE1 GLN X 91 20.154 -23.482 -14.854 1.00 77.80 O ATOM 745 NE2 GLN X 91 21.729 -24.756 -16.040 1.00 70.50 N ATOM 746 N THR X 92 23.016 -29.460 -13.818 1.00 55.03 N ATOM 747 CA THR X 92 23.591 -30.736 -14.221 1.00 56.83 C ATOM 748 C THR X 92 22.409 -31.558 -14.785 1.00 57.68 C ATOM 749 O THR X 92 21.220 -31.415 -14.354 1.00 58.73 O ATOM 750 CB THR X 92 24.248 -31.525 -13.008 1.00 56.76 C ATOM 751 OG1 THR X 92 25.110 -30.674 -12.270 1.00 58.48 O ATOM 752 CG2 THR X 92 25.112 -32.623 -13.457 1.00 59.24 C ATOM 753 N SER X 93 22.710 -32.363 -15.800 1.00 57.07 N ATOM 754 CA SER X 93 21.991 -33.591 -16.051 1.00 56.00 C ATOM 755 C SER X 93 21.726 -34.088 -14.594 1.00 55.17 C ATOM 756 O SER X 93 22.675 -34.217 -13.818 1.00 55.44 O ATOM 757 CB SER X 93 23.032 -34.471 -16.788 1.00 56.70 C ATOM 758 OG SER X 93 24.362 -34.465 -16.128 1.00 55.37 O ATOM 759 N LEU X 94 20.523 -34.267 -14.099 1.00 53.91 N ATOM 760 CA LEU X 94 20.541 -34.442 -12.604 1.00 54.33 C ATOM 761 C LEU X 94 20.805 -33.119 -11.811 1.00 54.38 C ATOM 762 O LEU X 94 21.976 -32.859 -11.512 1.00 55.89 O ATOM 763 CB LEU X 94 21.709 -35.391 -12.192 1.00 54.55 C ATOM 764 CG LEU X 94 21.876 -36.944 -12.512 1.00 56.89 C ATOM 765 CD1 LEU X 94 23.396 -37.357 -12.453 1.00 53.06 C ATOM 766 CD2 LEU X 94 20.950 -37.994 -11.673 1.00 54.00 C ATOM 767 N GLY X 95 19.790 -32.272 -11.556 1.00 52.93 N ATOM 768 CA GLY X 95 19.840 -31.134 -10.596 1.00 51.70 C ATOM 769 C GLY X 95 21.151 -30.342 -10.325 1.00 50.30 C ATOM 770 O GLY X 95 21.345 -29.217 -10.872 1.00 51.83 O ATOM 771 N GLU X 96 22.062 -30.883 -9.522 1.00 46.44 N ATOM 772 CA GLU X 96 23.218 -30.106 -9.065 1.00 44.85 C ATOM 773 C GLU X 96 23.316 -28.646 -9.670 1.00 45.46 C ATOM 774 O GLU X 96 23.859 -28.412 -10.775 1.00 44.70 O ATOM 775 CB GLU X 96 24.536 -30.852 -9.298 1.00 43.95 C ATOM 776 CG GLU X 96 24.783 -32.148 -8.557 1.00 40.48 C ATOM 777 CD GLU X 96 25.673 -31.964 -7.441 1.00 47.36 C ATOM 778 OE1 GLU X 96 25.117 -32.027 -6.293 1.00 49.77 O ATOM 779 OE2 GLU X 96 26.926 -31.668 -7.675 1.00 50.74 O ATOM 780 N TYR X 97 22.798 -27.656 -8.940 1.00 44.35 N ATOM 781 CA TYR X 97 23.067 -26.300 -9.280 1.00 43.06 C ATOM 782 C TYR X 97 24.527 -26.201 -9.165 1.00 42.72 C ATOM 783 O TYR X 97 25.039 -26.887 -8.252 1.00 43.60 O ATOM 784 CB TYR X 97 22.533 -25.458 -8.188 1.00 44.14 C ATOM 785 CG TYR X 97 21.168 -25.137 -8.523 1.00 45.23 C ATOM 786 CD1 TYR X 97 20.736 -25.264 -9.871 1.00 48.24 C ATOM 787 CD2 TYR X 97 20.278 -24.745 -7.556 1.00 43.78 C ATOM 788 CE1 TYR X 97 19.431 -25.043 -10.234 1.00 50.07 C ATOM 789 CE2 TYR X 97 18.939 -24.487 -7.918 1.00 51.73 C ATOM 790 CZ TYR X 97 18.503 -24.649 -9.267 1.00 50.16 C ATOM 791 OH TYR X 97 17.175 -24.330 -9.624 1.00 48.26 O ATOM 792 N LYS X 98 25.209 -25.378 -9.998 1.00 39.54 N ATOM 793 CA LYS X 98 26.694 -25.443 -9.990 1.00 37.44 C ATOM 794 C LYS X 98 27.487 -24.287 -10.627 1.00 36.88 C ATOM 795 O LYS X 98 26.956 -23.515 -11.440 1.00 36.05 O ATOM 796 CB LYS X 98 27.036 -26.652 -10.719 1.00 34.98 C ATOM 797 CG LYS X 98 28.227 -26.517 -11.245 1.00 41.06 C ATOM 798 CD LYS X 98 28.541 -27.936 -11.717 1.00 56.03 C ATOM 799 CE LYS X 98 30.024 -28.407 -11.409 1.00 57.31 C ATOM 800 NZ LYS X 98 29.922 -29.771 -11.924 1.00 53.35 N ATOM 801 N LEU X 99 28.760 -24.146 -10.268 1.00 36.22 N ATOM 802 CA LEU X 99 29.510 -22.950 -10.728 1.00 36.27 C ATOM 803 C LEU X 99 31.010 -23.142 -11.001 1.00 37.40 C ATOM 804 O LEU X 99 31.542 -24.228 -10.807 1.00 40.38 O ATOM 805 CB LEU X 99 29.257 -21.677 -9.916 1.00 32.23 C ATOM 806 CG LEU X 99 29.775 -21.986 -8.508 1.00 36.01 C ATOM 807 CD1 LEU X 99 31.282 -22.481 -8.508 1.00 39.87 C ATOM 808 CD2 LEU X 99 29.629 -20.861 -7.581 1.00 27.84 C ATOM 809 N ASN X 100 31.664 -22.067 -11.464 1.00 38.46 N ATOM 810 CA ASN X 100 33.053 -22.097 -11.787 1.00 37.87 C ATOM 811 C ASN X 100 33.865 -21.742 -10.620 1.00 37.79 C ATOM 812 O ASN X 100 33.836 -20.596 -10.208 1.00 38.29 O ATOM 813 CB ASN X 100 33.393 -21.082 -12.775 1.00 37.12 C ATOM 814 CG ASN X 100 34.785 -21.238 -13.143 1.00 41.47 C ATOM 815 OD1 ASN X 100 35.698 -20.699 -12.488 1.00 47.66 O ATOM 816 ND2 ASN X 100 35.011 -22.153 -14.056 1.00 41.49 N ATOM 817 N LEU X 101 34.600 -22.687 -10.046 1.00 37.44 N ATOM 818 CA LEU X 101 34.979 -22.359 -8.686 1.00 36.17 C ATOM 819 C LEU X 101 36.116 -21.438 -8.686 1.00 35.68 C ATOM 820 O LEU X 101 36.092 -20.401 -8.002 1.00 35.12 O ATOM 821 CB LEU X 101 35.322 -23.605 -7.980 1.00 35.53 C ATOM 822 CG LEU X 101 35.551 -23.644 -6.485 1.00 33.40 C ATOM 823 CD1 LEU X 101 35.044 -22.446 -5.709 1.00 38.65 C ATOM 824 CD2 LEU X 101 34.830 -24.881 -6.093 1.00 25.89 C ATOM 825 N PRO X 102 37.099 -21.791 -9.531 1.00 36.46 N ATOM 826 CA PRO X 102 38.321 -21.017 -9.693 1.00 35.74 C ATOM 827 C PRO X 102 37.860 -19.573 -10.081 1.00 38.27 C ATOM 828 O PRO X 102 38.379 -18.611 -9.602 1.00 40.49 O ATOM 829 CB PRO X 102 38.969 -21.736 -10.838 1.00 36.00 C ATOM 830 CG PRO X 102 38.382 -23.235 -10.802 1.00 32.79 C ATOM 831 CD PRO X 102 37.008 -22.983 -10.444 1.00 34.21 C ATOM 832 N GLU X 103 36.803 -19.358 -10.826 1.00 39.22 N ATOM 833 CA GLU X 103 36.445 -17.956 -11.077 1.00 41.84 C ATOM 834 C GLU X 103 35.875 -17.245 -9.910 1.00 39.55 C ATOM 835 O GLU X 103 36.266 -16.145 -9.639 1.00 42.27 O ATOM 836 CB GLU X 103 35.438 -17.869 -12.177 1.00 40.34 C ATOM 837 CG GLU X 103 35.070 -16.501 -12.800 1.00 47.25 C ATOM 838 CD GLU X 103 33.905 -16.727 -13.896 1.00 51.67 C ATOM 839 OE1 GLU X 103 33.421 -15.708 -14.466 1.00 60.76 O ATOM 840 OE2 GLU X 103 33.454 -17.926 -14.185 1.00 59.08 O ATOM 841 N TYR X 104 34.948 -17.851 -9.193 1.00 38.79 N ATOM 842 CA TYR X 104 34.300 -17.215 -8.029 1.00 35.20 C ATOM 843 C TYR X 104 34.846 -17.450 -6.649 1.00 34.66 C ATOM 844 O TYR X 104 34.427 -16.786 -5.669 1.00 33.01 O ATOM 845 CB TYR X 104 32.983 -17.792 -7.963 1.00 35.31 C ATOM 846 CG TYR X 104 32.179 -17.310 -9.105 1.00 36.28 C ATOM 847 CD1 TYR X 104 31.876 -18.196 -10.111 1.00 30.03 C ATOM 848 CD2 TYR X 104 31.763 -15.911 -9.228 1.00 35.65 C ATOM 849 CE1 TYR X 104 31.176 -17.781 -11.203 1.00 37.68 C ATOM 850 CE2 TYR X 104 31.020 -15.494 -10.339 1.00 33.90 C ATOM 851 CZ TYR X 104 30.727 -16.457 -11.328 1.00 36.08 C ATOM 852 OH TYR X 104 29.937 -16.279 -12.476 1.00 41.24 O ATOM 853 N MET X 105 35.806 -18.359 -6.529 1.00 35.49 N ATOM 854 CA MET X 105 36.242 -18.589 -5.233 1.00 37.76 C ATOM 855 C MET X 105 36.873 -17.357 -4.611 1.00 40.64 C ATOM 856 O MET X 105 37.533 -16.631 -5.308 1.00 42.10 O ATOM 857 CB MET X 105 37.245 -19.565 -5.311 1.00 36.45 C ATOM 858 CG MET X 105 37.779 -19.580 -3.971 1.00 42.23 C ATOM 859 SD MET X 105 37.169 -21.017 -2.975 1.00 46.63 S ATOM 860 CE MET X 105 38.417 -22.281 -3.349 1.00 32.14 C ATOM 861 N TRP X 106 36.693 -17.086 -3.328 1.00 43.58 N ATOM 862 CA TRP X 106 37.362 -15.970 -2.713 1.00 47.34 C ATOM 863 C TRP X 106 38.799 -16.347 -2.293 1.00 50.26 C ATOM 864 O TRP X 106 38.998 -17.074 -1.344 1.00 52.26 O ATOM 865 CB TRP X 106 36.586 -15.527 -1.510 1.00 47.53 C ATOM 866 CG TRP X 106 37.432 -14.585 -0.776 1.00 53.61 C ATOM 867 CD1 TRP X 106 38.199 -13.588 -1.305 1.00 55.92 C ATOM 868 CD2 TRP X 106 37.653 -14.535 0.647 1.00 59.04 C ATOM 869 NE1 TRP X 106 38.857 -12.934 -0.301 1.00 55.08 N ATOM 870 CE2 TRP X 106 38.550 -13.527 0.895 1.00 54.10 C ATOM 871 CE3 TRP X 106 37.160 -15.267 1.748 1.00 61.96 C ATOM 872 CZ2 TRP X 106 38.990 -13.243 2.182 1.00 54.85 C ATOM 873 CZ3 TRP X 106 37.625 -14.964 3.047 1.00 54.09 C ATOM 874 CH2 TRP X 106 38.521 -13.990 3.235 1.00 52.42 C ATOM 875 N LYS X 107 39.839 -15.891 -2.970 1.00 52.79 N ATOM 876 CA LYS X 107 41.186 -16.401 -2.613 1.00 54.72 C ATOM 877 C LYS X 107 41.961 -15.307 -1.947 1.00 56.14 C ATOM 878 O LYS X 107 42.604 -14.570 -2.644 1.00 56.24 O ATOM 879 CB LYS X 107 41.960 -16.894 -3.850 1.00 54.53 C ATOM 880 CG LYS X 107 41.272 -18.109 -4.443 1.00 59.12 C ATOM 881 CD LYS X 107 41.739 -18.491 -5.837 1.00 63.67 C ATOM 882 CE LYS X 107 40.778 -19.632 -6.306 1.00 62.00 C ATOM 883 NZ LYS X 107 41.173 -20.450 -7.529 1.00 62.31 N ATOM 884 N PRO X 108 41.973 -15.229 -0.595 1.00 58.02 N ATOM 885 CA PRO X 108 42.445 -13.987 0.030 1.00 59.00 C ATOM 886 C PRO X 108 43.925 -14.120 0.344 1.00 60.39 C ATOM 887 O PRO X 108 44.351 -13.819 1.447 1.00 62.57 O ATOM 888 CB PRO X 108 41.754 -14.026 1.361 1.00 58.96 C ATOM 889 CG PRO X 108 41.884 -15.541 1.756 1.00 58.21 C ATOM 890 CD PRO X 108 41.691 -16.282 0.420 1.00 58.63 C TER 891 PRO X 108 ATOM 892 O5' DG Y 201 31.345 -43.366 26.303 1.00 38.33 O ATOM 893 C5' DG Y 201 31.546 -44.748 26.180 1.00 42.91 C ATOM 894 C4' DG Y 201 30.280 -45.575 26.270 1.00 43.54 C ATOM 895 O4' DG Y 201 29.368 -44.882 27.108 1.00 42.37 O ATOM 896 C3' DG Y 201 29.507 -45.707 24.990 1.00 44.58 C ATOM 897 O3' DG Y 201 29.893 -46.776 24.235 1.00 53.57 O ATOM 898 C2' DG Y 201 28.118 -45.978 25.487 1.00 40.81 C ATOM 899 C1' DG Y 201 28.067 -45.140 26.727 1.00 34.85 C ATOM 900 N9 DG Y 201 27.453 -43.860 26.615 1.00 29.91 N ATOM 901 C8 DG Y 201 28.101 -42.722 26.824 1.00 28.87 C ATOM 902 N7 DG Y 201 27.359 -41.691 26.692 1.00 34.08 N ATOM 903 C5 DG Y 201 26.139 -42.189 26.396 1.00 30.94 C ATOM 904 C6 DG Y 201 24.975 -41.504 26.153 1.00 26.88 C ATOM 905 O6 DG Y 201 24.794 -40.306 26.165 1.00 26.85 O ATOM 906 N1 DG Y 201 23.963 -42.362 25.861 1.00 29.75 N ATOM 907 C2 DG Y 201 24.070 -43.709 25.821 1.00 32.83 C ATOM 908 N2 DG Y 201 22.954 -44.354 25.529 1.00 31.05 N ATOM 909 N3 DG Y 201 25.161 -44.378 26.061 1.00 32.57 N ATOM 910 C4 DG Y 201 26.165 -43.537 26.343 1.00 33.49 C ATOM 911 P DC Y 202 29.867 -46.541 22.694 1.00 58.36 P ATOM 912 OP1 DC Y 202 30.604 -47.648 22.135 1.00 55.56 O ATOM 913 OP2 DC Y 202 30.286 -45.171 22.508 1.00 48.58 O ATOM 914 O5' DC Y 202 28.353 -46.667 22.361 1.00 52.64 O ATOM 915 C5' DC Y 202 27.705 -47.874 22.588 1.00 47.27 C ATOM 916 C4' DC Y 202 26.246 -47.661 22.278 1.00 44.14 C ATOM 917 O4' DC Y 202 25.956 -46.408 22.860 1.00 40.57 O ATOM 918 C3' DC Y 202 25.975 -47.381 20.826 1.00 42.96 C ATOM 919 O3' DC Y 202 25.502 -48.494 20.192 1.00 48.26 O ATOM 920 C2' DC Y 202 24.875 -46.357 20.842 1.00 37.55 C ATOM 921 C1' DC Y 202 24.804 -45.936 22.272 1.00 36.66 C ATOM 922 N1 DC Y 202 24.877 -44.531 22.454 1.00 39.31 N ATOM 923 C2 DC Y 202 23.773 -43.755 22.250 1.00 37.16 C ATOM 924 O2 DC Y 202 22.739 -44.271 21.878 1.00 33.83 O ATOM 925 N3 DC Y 202 23.885 -42.448 22.441 1.00 32.87 N ATOM 926 C4 DC Y 202 25.025 -41.957 22.845 1.00 31.36 C ATOM 927 N4 DC Y 202 25.062 -40.662 23.037 1.00 36.82 N ATOM 928 C5 DC Y 202 26.171 -42.717 23.068 1.00 27.93 C ATOM 929 C6 DC Y 202 26.040 -44.001 22.868 1.00 36.00 C ATOM 930 P DC Y 203 25.897 -48.708 18.699 1.00 51.47 P ATOM 931 OP1 DC Y 203 25.659 -50.101 18.363 1.00 45.20 O ATOM 932 OP2 DC Y 203 27.200 -48.111 18.607 1.00 48.67 O ATOM 933 O5' DC Y 203 24.852 -47.820 17.967 1.00 48.95 O ATOM 934 C5' DC Y 203 23.541 -47.923 18.429 1.00 44.47 C ATOM 935 C4' DC Y 203 22.643 -46.838 17.909 1.00 40.39 C ATOM 936 O4' DC Y 203 23.058 -45.661 18.575 1.00 37.60 O ATOM 937 C3' DC Y 203 22.832 -46.539 16.441 1.00 42.95 C ATOM 938 O3' DC Y 203 21.650 -46.598 15.729 1.00 47.93 O ATOM 939 C2' DC Y 203 23.368 -45.133 16.457 1.00 34.44 C ATOM 940 C1' DC Y 203 22.779 -44.622 17.732 1.00 31.60 C ATOM 941 N1 DC Y 203 23.438 -43.492 18.269 1.00 30.80 N ATOM 942 C2 DC Y 203 22.701 -42.340 18.394 1.00 36.32 C ATOM 943 O2 DC Y 203 21.532 -42.336 18.049 1.00 33.23 O ATOM 944 N3 DC Y 203 23.277 -41.255 18.908 1.00 32.21 N ATOM 945 C4 DC Y 203 24.531 -41.298 19.271 1.00 31.23 C ATOM 946 N4 DC Y 203 25.001 -40.168 19.769 1.00 31.63 N ATOM 947 C5 DC Y 203 25.311 -42.470 19.158 1.00 27.28 C ATOM 948 C6 DC Y 203 24.722 -43.548 18.661 1.00 25.59 C ATOM 949 P DA Y 204 21.736 -46.896 14.195 1.00 52.45 P ATOM 950 OP1 DA Y 204 21.241 -48.240 14.003 1.00 49.07 O ATOM 951 OP2 DA Y 204 23.106 -46.602 13.845 1.00 49.14 O ATOM 952 O5' DA Y 204 20.786 -45.873 13.487 1.00 46.53 O ATOM 953 C5' DA Y 204 19.693 -45.347 14.176 1.00 42.66 C ATOM 954 C4' DA Y 204 19.455 -43.895 13.829 1.00 38.40 C ATOM 955 O4' DA Y 204 20.394 -43.096 14.540 1.00 26.15 O ATOM 956 C3' DA Y 204 19.720 -43.544 12.395 1.00 40.36 C ATOM 957 O3' DA Y 204 19.100 -42.343 12.101 1.00 48.96 O ATOM 958 C2' DA Y 204 21.208 -43.336 12.496 1.00 34.39 C ATOM 959 C1' DA Y 204 21.166 -42.374 13.638 1.00 30.15 C ATOM 960 N9 DA Y 204 22.452 -42.094 14.239 1.00 33.13 N ATOM 961 C8 DA Y 204 23.552 -42.862 14.304 1.00 29.21 C ATOM 962 N7 DA Y 204 24.536 -42.329 14.943 1.00 25.40 N ATOM 963 C5 DA Y 204 24.045 -41.120 15.316 1.00 26.92 C ATOM 964 C6 DA Y 204 24.592 -40.060 16.001 1.00 28.39 C ATOM 965 N6 DA Y 204 25.798 -40.034 16.487 1.00 27.15 N ATOM 966 N1 DA Y 204 23.848 -39.007 16.208 1.00 31.31 N ATOM 967 C2 DA Y 204 22.622 -39.016 15.744 1.00 28.11 C ATOM 968 N3 DA Y 204 21.992 -39.934 15.070 1.00 23.79 N ATOM 969 C4 DA Y 204 22.775 -40.965 14.890 1.00 27.51 C ATOM 970 P DT Y 205 18.543 -42.090 10.650 1.00 54.97 P ATOM 971 OP1 DT Y 205 17.343 -41.266 10.693 1.00 44.50 O ATOM 972 OP2 DT Y 205 18.616 -43.355 9.917 1.00 44.05 O ATOM 973 O5' DT Y 205 19.650 -41.099 10.211 1.00 48.89 O ATOM 974 C5' DT Y 205 20.056 -40.261 11.223 1.00 49.86 C ATOM 975 C4' DT Y 205 19.580 -38.854 11.024 1.00 51.15 C ATOM 976 O4' DT Y 205 20.379 -38.071 11.900 1.00 53.16 O ATOM 977 C3' DT Y 205 19.881 -38.225 9.696 1.00 52.26 C ATOM 978 O3' DT Y 205 19.443 -36.945 9.744 1.00 54.24 O ATOM 979 C2' DT Y 205 21.368 -38.193 9.830 1.00 51.99 C ATOM 980 C1' DT Y 205 21.489 -37.605 11.211 1.00 51.43 C ATOM 981 N1 DT Y 205 22.753 -38.033 11.819 1.00 50.33 N ATOM 982 C2 DT Y 205 23.499 -37.187 12.588 1.00 49.96 C ATOM 983 O2 DT Y 205 23.185 -36.071 12.880 1.00 50.18 O ATOM 984 N3 DT Y 205 24.645 -37.686 13.063 1.00 47.29 N ATOM 985 C4 DT Y 205 25.106 -38.918 12.810 1.00 51.13 C ATOM 986 O4 DT Y 205 26.133 -39.342 13.242 1.00 53.84 O ATOM 987 C5 DT Y 205 24.311 -39.733 12.014 1.00 49.49 C ATOM 988 C7 DT Y 205 24.830 -41.080 11.732 1.00 49.95 C ATOM 989 C6 DT Y 205 23.184 -39.278 11.537 1.00 44.96 C ATOM 990 P DG Y 206 19.073 -36.227 8.409 1.00 57.18 P ATOM 991 OP1 DG Y 206 19.189 -34.809 8.651 1.00 56.43 O ATOM 992 OP2 DG Y 206 17.845 -36.749 7.883 1.00 57.15 O ATOM 993 O5' DG Y 206 20.206 -36.738 7.494 1.00 45.60 O ATOM 994 C5' DG Y 206 21.437 -36.109 7.712 1.00 49.02 C ATOM 995 C4' DG Y 206 21.422 -34.650 8.132 1.00 39.83 C ATOM 996 O4' DG Y 206 22.388 -34.533 9.176 1.00 32.89 O ATOM 997 C3' DG Y 206 22.084 -33.797 7.093 1.00 35.68 C ATOM 998 O3' DG Y 206 22.202 -32.540 7.561 1.00 35.09 O ATOM 999 C2' DG Y 206 23.403 -34.510 7.146 1.00 26.93 C ATOM 1000 C1' DG Y 206 23.669 -34.574 8.627 1.00 32.15 C ATOM 1001 N9 DG Y 206 24.482 -35.725 9.008 1.00 31.85 N ATOM 1002 C8 DG Y 206 24.301 -36.972 8.564 1.00 33.24 C ATOM 1003 N7 DG Y 206 25.139 -37.818 9.004 1.00 35.20 N ATOM 1004 C5 DG Y 206 25.960 -37.101 9.796 1.00 31.25 C ATOM 1005 C6 DG Y 206 27.059 -37.518 10.533 1.00 34.69 C ATOM 1006 O6 DG Y 206 27.569 -38.612 10.642 1.00 34.53 O ATOM 1007 N1 DG Y 206 27.633 -36.486 11.189 1.00 38.24 N ATOM 1008 C2 DG Y 206 27.190 -35.237 11.150 1.00 34.18 C ATOM 1009 N2 DG Y 206 27.905 -34.408 11.867 1.00 31.12 N ATOM 1010 N3 DG Y 206 26.167 -34.828 10.480 1.00 33.48 N ATOM 1011 C4 DG Y 206 25.587 -35.815 9.807 1.00 31.64 C HETATM 1012 P 6OG Y 207 22.075 -31.274 6.682 1.00 32.26 P HETATM 1013 OP1 6OG Y 207 22.166 -30.027 7.548 1.00 35.66 O HETATM 1014 OP2 6OG Y 207 20.831 -31.135 5.748 1.00 41.94 O HETATM 1015 O5' 6OG Y 207 23.206 -31.350 5.674 1.00 21.19 O HETATM 1016 N9 6OG Y 207 23.707 -26.715 4.385 1.00 28.49 N HETATM 1017 C4 6OG Y 207 23.805 -25.356 4.298 1.00 28.81 C HETATM 1018 N3 6OG Y 207 24.693 -24.535 3.688 1.00 30.76 N HETATM 1019 C2 6OG Y 207 24.684 -23.175 3.693 1.00 27.56 C HETATM 1020 N2 6OG Y 207 25.657 -22.597 3.004 1.00 26.63 N HETATM 1021 N1 6OG Y 207 23.751 -22.444 4.314 1.00 28.34 N HETATM 1022 C6 6OG Y 207 22.821 -23.174 4.978 1.00 28.51 C HETATM 1023 O6 6OG Y 207 21.844 -22.441 5.613 1.00 23.21 O HETATM 1024 C5 6OG Y 207 22.834 -24.706 4.981 1.00 26.87 C HETATM 1025 N7 6OG Y 207 22.063 -25.690 5.470 1.00 27.47 N HETATM 1026 C8 6OG Y 207 22.606 -26.936 5.156 1.00 28.53 C HETATM 1027 C2' 6OG Y 207 25.213 -28.540 4.885 1.00 25.44 C HETATM 1028 C5' 6OG Y 207 23.294 -30.051 5.004 1.00 28.05 C HETATM 1029 C4' 6OG Y 207 24.163 -30.060 3.723 1.00 24.53 C HETATM 1030 O4' 6OG Y 207 23.758 -28.808 3.153 1.00 23.62 O HETATM 1031 C1' 6OG Y 207 24.568 -27.761 3.759 1.00 24.81 C HETATM 1032 C3' 6OG Y 207 25.583 -29.801 4.226 1.00 19.05 C HETATM 1033 O3' 6OG Y 207 26.544 -29.316 3.272 1.00 23.29 O HETATM 1034 C 6OG Y 207 22.037 -21.141 6.044 1.00 30.63 C ATOM 1035 P DC Y 208 27.082 -30.595 2.869 1.00 26.10 P ATOM 1036 OP1 DC Y 208 27.615 -30.128 1.664 1.00 20.57 O ATOM 1037 OP2 DC Y 208 26.541 -31.877 2.693 1.00 22.24 O ATOM 1038 O5' DC Y 208 28.344 -30.936 3.648 1.00 24.96 O ATOM 1039 C5' DC Y 208 29.132 -29.956 4.235 1.00 26.01 C ATOM 1040 C4' DC Y 208 30.594 -30.322 4.278 1.00 31.20 C ATOM 1041 O4' DC Y 208 30.641 -31.596 4.887 1.00 25.15 O ATOM 1042 C3' DC Y 208 31.262 -30.504 2.947 1.00 31.10 C ATOM 1043 O3' DC Y 208 32.594 -30.123 2.953 1.00 32.40 O ATOM 1044 C2' DC Y 208 31.123 -31.985 2.793 1.00 24.76 C ATOM 1045 C1' DC Y 208 31.459 -32.432 4.173 1.00 24.95 C ATOM 1046 N1 DC Y 208 31.032 -33.773 4.375 1.00 22.90 N ATOM 1047 C2 DC Y 208 31.891 -34.716 4.781 1.00 18.33 C ATOM 1048 O2 DC Y 208 33.024 -34.453 4.984 1.00 24.78 O ATOM 1049 N3 DC Y 208 31.480 -35.938 4.940 1.00 32.51 N ATOM 1050 C4 DC Y 208 30.250 -36.244 4.721 1.00 27.99 C ATOM 1051 N4 DC Y 208 29.940 -37.492 4.915 1.00 25.02 N ATOM 1052 C5 DC Y 208 29.323 -35.316 4.300 1.00 22.10 C ATOM 1053 C6 DC Y 208 29.767 -34.101 4.148 1.00 26.63 C ATOM 1054 P DT Y 209 33.311 -29.564 1.707 1.00 32.14 P ATOM 1055 OP1 DT Y 209 33.647 -28.213 1.926 1.00 38.06 O ATOM 1056 OP2 DT Y 209 32.597 -30.036 0.590 1.00 27.83 O ATOM 1057 O5' DT Y 209 34.610 -30.349 1.706 1.00 36.61 O ATOM 1058 C5' DT Y 209 34.687 -31.412 2.534 1.00 35.17 C ATOM 1059 C4' DT Y 209 35.839 -32.330 2.262 1.00 24.50 C ATOM 1060 O4' DT Y 209 35.309 -33.598 2.613 1.00 26.69 O ATOM 1061 C3' DT Y 209 36.272 -32.478 0.834 1.00 24.24 C ATOM 1062 O3' DT Y 209 37.605 -32.841 0.722 1.00 34.15 O ATOM 1063 C2' DT Y 209 35.376 -33.602 0.430 1.00 26.87 C ATOM 1064 C1' DT Y 209 35.525 -34.493 1.605 1.00 27.33 C ATOM 1065 N1 DT Y 209 34.474 -35.424 1.663 1.00 25.44 N ATOM 1066 C2 DT Y 209 34.721 -36.637 2.133 1.00 31.20 C ATOM 1067 O2 DT Y 209 35.793 -36.929 2.505 1.00 37.83 O ATOM 1068 N3 DT Y 209 33.698 -37.494 2.170 1.00 30.85 N ATOM 1069 C4 DT Y 209 32.436 -37.228 1.763 1.00 32.60 C ATOM 1070 O4 DT Y 209 31.559 -38.048 1.817 1.00 34.06 O ATOM 1071 C5 DT Y 209 32.235 -35.920 1.269 1.00 31.86 C ATOM 1072 C7 DT Y 209 30.905 -35.502 0.797 1.00 26.20 C ATOM 1073 C6 DT Y 209 33.253 -35.089 1.238 1.00 30.57 C ATOM 1074 P DA Y 210 38.682 -32.014 -0.079 1.00 35.31 P ATOM 1075 OP1 DA Y 210 38.984 -30.795 0.584 1.00 35.67 O ATOM 1076 OP2 DA Y 210 38.404 -32.116 -1.458 1.00 38.39 O ATOM 1077 O5' DA Y 210 39.967 -32.785 0.065 1.00 35.31 O ATOM 1078 C5' DA Y 210 40.104 -33.804 -0.755 1.00 35.39 C ATOM 1079 C4' DA Y 210 41.004 -34.739 -0.038 1.00 37.06 C ATOM 1080 O4' DA Y 210 40.152 -35.641 0.629 1.00 35.50 O ATOM 1081 C3' DA Y 210 41.782 -35.565 -1.000 1.00 39.12 C ATOM 1082 O3' DA Y 210 43.010 -35.887 -0.510 1.00 42.91 O ATOM 1083 C2' DA Y 210 40.923 -36.770 -1.260 1.00 36.14 C ATOM 1084 C1' DA Y 210 39.843 -36.686 -0.223 1.00 35.06 C ATOM 1085 N9 DA Y 210 38.446 -36.804 -0.648 1.00 36.74 N ATOM 1086 C8 DA Y 210 37.647 -35.946 -1.305 1.00 32.03 C ATOM 1087 N7 DA Y 210 36.459 -36.408 -1.513 1.00 36.51 N ATOM 1088 C5 DA Y 210 36.475 -37.651 -0.951 1.00 32.54 C ATOM 1089 C6 DA Y 210 35.537 -38.667 -0.829 1.00 33.85 C ATOM 1090 N6 DA Y 210 34.307 -38.617 -1.273 1.00 27.73 N ATOM 1091 N1 DA Y 210 35.896 -39.771 -0.206 1.00 36.26 N ATOM 1092 C2 DA Y 210 37.117 -39.858 0.237 1.00 33.24 C ATOM 1093 N3 DA Y 210 38.073 -38.983 0.183 1.00 31.05 N ATOM 1094 C4 DA Y 210 37.685 -37.898 -0.431 1.00 31.12 C ATOM 1095 P DG Y 211 43.882 -36.863 -1.345 1.00 47.69 P ATOM 1096 OP1 DG Y 211 45.199 -36.723 -0.811 1.00 45.50 O ATOM 1097 OP2 DG Y 211 43.571 -36.621 -2.719 1.00 42.49 O ATOM 1098 O5' DG Y 211 43.297 -38.256 -0.928 1.00 48.91 O ATOM 1099 C5' DG Y 211 43.492 -39.386 -1.693 1.00 49.29 C ATOM 1100 C4' DG Y 211 42.371 -40.396 -1.628 1.00 45.57 C ATOM 1101 O4' DG Y 211 41.167 -39.779 -2.039 1.00 47.13 O ATOM 1102 C3' DG Y 211 42.495 -41.400 -2.755 1.00 49.36 C ATOM 1103 O3' DG Y 211 43.058 -42.583 -2.376 1.00 48.90 O ATOM 1104 C2' DG Y 211 41.124 -41.633 -3.341 1.00 42.25 C ATOM 1105 C1' DG Y 211 40.312 -40.801 -2.409 1.00 36.55 C ATOM 1106 N9 DG Y 211 39.255 -40.096 -3.020 1.00 33.81 N ATOM 1107 C8 DG Y 211 39.343 -38.834 -3.453 1.00 34.73 C ATOM 1108 N7 DG Y 211 38.263 -38.380 -3.949 1.00 32.75 N ATOM 1109 C5 DG Y 211 37.427 -39.436 -3.796 1.00 35.35 C ATOM 1110 C6 DG Y 211 36.111 -39.519 -4.145 1.00 35.45 C ATOM 1111 O6 DG Y 211 35.456 -38.647 -4.653 1.00 37.00 O ATOM 1112 N1 DG Y 211 35.579 -40.732 -3.849 1.00 33.63 N ATOM 1113 C2 DG Y 211 36.252 -41.749 -3.272 1.00 35.41 C ATOM 1114 N2 DG Y 211 35.546 -42.856 -3.080 1.00 34.93 N ATOM 1115 N3 DG Y 211 37.504 -41.694 -2.916 1.00 34.75 N ATOM 1116 C4 DG Y 211 38.009 -40.501 -3.225 1.00 34.06 C ATOM 1117 P DT Y 212 44.010 -43.235 -3.412 1.00 48.86 P ATOM 1118 OP1 DT Y 212 44.955 -43.995 -2.622 1.00 47.58 O ATOM 1119 OP2 DT Y 212 44.421 -42.298 -4.423 1.00 41.40 O ATOM 1120 O5' DT Y 212 42.957 -44.161 -4.081 1.00 51.73 O ATOM 1121 C5' DT Y 212 41.632 -43.772 -4.017 1.00 42.93 C ATOM 1122 C4' DT Y 212 40.689 -44.912 -4.293 1.00 40.39 C ATOM 1123 O4' DT Y 212 39.481 -44.199 -4.483 1.00 37.30 O ATOM 1124 C3' DT Y 212 40.879 -45.690 -5.574 1.00 39.23 C ATOM 1125 O3' DT Y 212 40.424 -47.047 -5.585 1.00 38.76 O ATOM 1126 C2' DT Y 212 40.070 -44.829 -6.508 1.00 36.69 C ATOM 1127 C1' DT Y 212 38.875 -44.527 -5.662 1.00 33.64 C ATOM 1128 N1 DT Y 212 38.376 -43.287 -6.052 1.00 35.54 N ATOM 1129 C2 DT Y 212 37.083 -43.127 -6.330 1.00 35.87 C ATOM 1130 O2 DT Y 212 36.277 -43.994 -6.244 1.00 35.42 O ATOM 1131 N3 DT Y 212 36.753 -41.883 -6.688 1.00 36.64 N ATOM 1132 C4 DT Y 212 37.581 -40.817 -6.813 1.00 34.01 C ATOM 1133 O4 DT Y 212 37.209 -39.724 -7.176 1.00 37.62 O ATOM 1134 C5 DT Y 212 38.914 -41.078 -6.528 1.00 27.08 C ATOM 1135 C7 DT Y 212 39.892 -39.991 -6.628 1.00 28.96 C ATOM 1136 C6 DT Y 212 39.259 -42.279 -6.154 1.00 30.74 C ATOM 1137 P DA Y 213 40.923 -48.062 -6.693 1.00 46.27 P ATOM 1138 OP1 DA Y 213 41.647 -49.102 -6.011 1.00 46.33 O ATOM 1139 OP2 DA Y 213 41.529 -47.369 -7.805 1.00 35.41 O ATOM 1140 O5' DA Y 213 39.622 -48.694 -7.229 1.00 44.44 O ATOM 1141 C5' DA Y 213 38.494 -48.078 -6.815 1.00 50.21 C ATOM 1142 C4' DA Y 213 37.452 -48.255 -7.870 1.00 48.18 C ATOM 1143 O4' DA Y 213 36.866 -46.979 -8.129 1.00 45.88 O ATOM 1144 C3' DA Y 213 38.066 -48.645 -9.169 1.00 46.67 C ATOM 1145 O3' DA Y 213 37.022 -49.071 -9.927 1.00 49.30 O ATOM 1146 C2' DA Y 213 38.483 -47.287 -9.656 1.00 45.40 C ATOM 1147 C1' DA Y 213 37.190 -46.593 -9.407 1.00 41.61 C ATOM 1148 N9 DA Y 213 37.246 -45.169 -9.562 1.00 41.68 N ATOM 1149 C8 DA Y 213 38.325 -44.393 -9.536 1.00 39.67 C ATOM 1150 N7 DA Y 213 38.064 -43.145 -9.761 1.00 39.71 N ATOM 1151 C5 DA Y 213 36.722 -43.117 -9.934 1.00 38.39 C ATOM 1152 C6 DA Y 213 35.855 -42.084 -10.189 1.00 39.79 C ATOM 1153 N6 DA Y 213 36.254 -40.838 -10.310 1.00 39.05 N ATOM 1154 N1 DA Y 213 34.575 -42.358 -10.325 1.00 39.33 N ATOM 1155 C2 DA Y 213 34.215 -43.622 -10.196 1.00 42.72 C ATOM 1156 N3 DA Y 213 34.937 -44.691 -9.947 1.00 41.03 N ATOM 1157 C4 DA Y 213 36.201 -44.352 -9.829 1.00 42.89 C TER 1158 DA Y 213 ATOM 1159 O5' DC Z 214 32.128 -33.756 -14.030 1.00 39.80 O ATOM 1160 C5' DC Z 214 31.108 -33.657 -14.931 1.00 42.24 C ATOM 1161 C4' DC Z 214 30.750 -35.059 -15.254 1.00 43.78 C ATOM 1162 O4' DC Z 214 31.998 -35.704 -15.466 1.00 49.37 O ATOM 1163 C3' DC Z 214 30.266 -35.802 -14.062 1.00 41.98 C ATOM 1164 O3' DC Z 214 28.933 -35.583 -13.927 1.00 42.32 O ATOM 1165 C2' DC Z 214 30.568 -37.216 -14.509 1.00 46.47 C ATOM 1166 C1' DC Z 214 31.786 -37.072 -15.391 1.00 47.39 C ATOM 1167 N1 DC Z 214 32.940 -37.757 -14.860 1.00 48.07 N ATOM 1168 C2 DC Z 214 34.062 -37.084 -14.492 1.00 47.77 C ATOM 1169 O2 DC Z 214 34.117 -35.885 -14.623 1.00 48.69 O ATOM 1170 N3 DC Z 214 35.095 -37.756 -13.999 1.00 48.12 N ATOM 1171 C4 DC Z 214 35.036 -39.061 -13.878 1.00 48.34 C ATOM 1172 N4 DC Z 214 36.105 -39.700 -13.390 1.00 49.39 N ATOM 1173 C5 DC Z 214 33.892 -39.788 -14.235 1.00 44.87 C ATOM 1174 C6 DC Z 214 32.892 -39.091 -14.728 1.00 48.31 C ATOM 1175 P DT Z 215 28.328 -35.585 -12.503 1.00 43.68 P ATOM 1176 OP1 DT Z 215 27.088 -34.888 -12.582 1.00 42.10 O ATOM 1177 OP2 DT Z 215 29.329 -35.137 -11.575 1.00 39.72 O ATOM 1178 O5' DT Z 215 28.115 -37.105 -12.309 1.00 41.67 O ATOM 1179 C5' DT Z 215 27.440 -37.858 -13.220 1.00 40.52 C ATOM 1180 C4' DT Z 215 27.545 -39.279 -12.770 1.00 37.62 C ATOM 1181 O4' DT Z 215 28.948 -39.436 -12.748 1.00 34.48 O ATOM 1182 C3' DT Z 215 27.084 -39.510 -11.353 1.00 41.05 C ATOM 1183 O3' DT Z 215 26.593 -40.780 -11.145 1.00 52.93 O ATOM 1184 C2' DT Z 215 28.384 -39.458 -10.624 1.00 39.99 C ATOM 1185 C1' DT Z 215 29.269 -40.130 -11.620 1.00 36.40 C ATOM 1186 N1 DT Z 215 30.616 -39.813 -11.382 1.00 38.24 N ATOM 1187 C2 DT Z 215 31.456 -40.831 -11.195 1.00 39.83 C ATOM 1188 O2 DT Z 215 31.055 -41.953 -11.247 1.00 38.86 O ATOM 1189 N3 DT Z 215 32.740 -40.468 -10.951 1.00 34.20 N ATOM 1190 C4 DT Z 215 33.187 -39.190 -10.892 1.00 31.03 C ATOM 1191 O4 DT Z 215 34.302 -38.855 -10.706 1.00 33.03 O ATOM 1192 C5 DT Z 215 32.269 -38.189 -11.079 1.00 33.89 C ATOM 1193 C7 DT Z 215 32.806 -36.818 -11.005 1.00 35.27 C ATOM 1194 C6 DT Z 215 31.022 -38.524 -11.322 1.00 34.19 C ATOM 1195 P DA Z 216 25.439 -41.062 -10.123 1.00 53.10 P ATOM 1196 OP1 DA Z 216 24.965 -42.363 -10.504 1.00 52.25 O ATOM 1197 OP2 DA Z 216 24.567 -39.931 -10.077 1.00 57.28 O ATOM 1198 O5' DA Z 216 26.126 -41.087 -8.750 1.00 48.36 O ATOM 1199 C5' DA Z 216 27.403 -41.587 -8.762 1.00 54.14 C ATOM 1200 C4' DA Z 216 27.327 -43.073 -8.658 1.00 45.97 C ATOM 1201 O4' DA Z 216 28.644 -43.575 -8.695 1.00 40.98 O ATOM 1202 C3' DA Z 216 26.903 -43.490 -7.301 1.00 46.61 C ATOM 1203 O3' DA Z 216 26.758 -44.816 -7.278 1.00 52.68 O ATOM 1204 C2' DA Z 216 28.113 -43.100 -6.505 1.00 43.53 C ATOM 1205 C1' DA Z 216 29.234 -43.270 -7.484 1.00 39.74 C ATOM 1206 N9 DA Z 216 30.120 -42.129 -7.529 1.00 37.60 N ATOM 1207 C8 DA Z 216 29.787 -40.848 -7.648 1.00 34.44 C ATOM 1208 N7 DA Z 216 30.803 -40.063 -7.632 1.00 35.77 N ATOM 1209 C5 DA Z 216 31.878 -40.877 -7.485 1.00 34.18 C ATOM 1210 C6 DA Z 216 33.243 -40.651 -7.404 1.00 35.06 C ATOM 1211 N6 DA Z 216 33.804 -39.467 -7.445 1.00 33.53 N ATOM 1212 N1 DA Z 216 34.045 -41.673 -7.255 1.00 36.53 N ATOM 1213 C2 DA Z 216 33.488 -42.855 -7.194 1.00 37.79 C ATOM 1214 N3 DA Z 216 32.232 -43.195 -7.279 1.00 36.50 N ATOM 1215 C4 DA Z 216 31.467 -42.146 -7.417 1.00 36.76 C ATOM 1216 P DC Z 217 26.233 -45.433 -5.941 1.00 61.14 P ATOM 1217 OP1 DC Z 217 24.960 -46.073 -6.206 1.00 51.94 O ATOM 1218 OP2 DC Z 217 26.416 -44.452 -4.887 1.00 47.45 O ATOM 1219 O5' DC Z 217 27.359 -46.467 -5.632 1.00 58.75 O ATOM 1220 C5' DC Z 217 28.536 -45.790 -5.410 1.00 56.87 C ATOM 1221 C4' DC Z 217 29.560 -46.570 -4.638 1.00 53.56 C ATOM 1222 O4' DC Z 217 30.786 -45.862 -4.859 1.00 47.79 O ATOM 1223 C3' DC Z 217 29.315 -46.493 -3.162 1.00 54.02 C ATOM 1224 O3' DC Z 217 29.874 -47.500 -2.445 1.00 56.16 O ATOM 1225 C2' DC Z 217 30.007 -45.207 -2.817 1.00 53.05 C ATOM 1226 C1' DC Z 217 31.180 -45.152 -3.745 1.00 40.63 C ATOM 1227 N1 DC Z 217 31.378 -43.740 -3.937 1.00 38.11 N ATOM 1228 C2 DC Z 217 32.625 -43.205 -3.802 1.00 41.36 C ATOM 1229 O2 DC Z 217 33.581 -43.924 -3.594 1.00 45.58 O ATOM 1230 N3 DC Z 217 32.810 -41.908 -3.919 1.00 40.41 N ATOM 1231 C4 DC Z 217 31.814 -41.124 -4.118 1.00 35.69 C ATOM 1232 N4 DC Z 217 32.103 -39.845 -4.203 1.00 30.46 N ATOM 1233 C5 DC Z 217 30.512 -41.644 -4.229 1.00 34.66 C ATOM 1234 C6 DC Z 217 30.330 -42.944 -4.122 1.00 31.06 C ATOM 1235 P DT Z 218 29.598 -47.349 -0.925 1.00 57.95 P ATOM 1236 OP1 DT Z 218 28.300 -47.907 -0.664 1.00 58.18 O ATOM 1237 OP2 DT Z 218 29.874 -45.968 -0.653 1.00 59.11 O ATOM 1238 O5' DT Z 218 30.738 -48.155 -0.255 1.00 57.66 O ATOM 1239 C5' DT Z 218 31.581 -47.337 0.451 1.00 55.16 C ATOM 1240 C4' DT Z 218 33.021 -47.726 0.323 1.00 52.96 C ATOM 1241 O4' DT Z 218 33.596 -46.634 -0.375 1.00 48.39 O ATOM 1242 C3' DT Z 218 33.693 -47.664 1.670 1.00 54.41 C ATOM 1243 O3' DT Z 218 35.023 -47.999 1.628 1.00 58.12 O ATOM 1244 C2' DT Z 218 33.565 -46.191 1.885 1.00 51.65 C ATOM 1245 C1' DT Z 218 34.114 -45.740 0.565 1.00 47.02 C ATOM 1246 N1 DT Z 218 33.670 -44.425 0.241 1.00 44.20 N ATOM 1247 C2 DT Z 218 34.565 -43.448 0.182 1.00 40.19 C ATOM 1248 O2 DT Z 218 35.708 -43.646 0.397 1.00 41.74 O ATOM 1249 N3 DT Z 218 34.085 -42.249 -0.111 1.00 36.36 N ATOM 1250 C4 DT Z 218 32.802 -41.951 -0.363 1.00 40.05 C ATOM 1251 O4 DT Z 218 32.457 -40.834 -0.636 1.00 42.73 O ATOM 1252 C5 DT Z 218 31.902 -43.029 -0.289 1.00 41.55 C ATOM 1253 C7 DT Z 218 30.452 -42.838 -0.545 1.00 42.05 C ATOM 1254 C6 DT Z 218 32.368 -44.217 0.004 1.00 42.35 C ATOM 1255 P DA Z 219 35.541 -48.768 2.889 1.00 58.35 P ATOM 1256 OP1 DA Z 219 36.124 -50.014 2.476 1.00 54.05 O ATOM 1257 OP2 DA Z 219 34.462 -48.665 3.840 1.00 56.75 O ATOM 1258 O5' DA Z 219 36.702 -47.880 3.381 1.00 61.69 O ATOM 1259 C5' DA Z 219 36.516 -46.542 3.197 1.00 59.54 C ATOM 1260 C4' DA Z 219 37.526 -45.822 4.024 1.00 57.59 C ATOM 1261 O4' DA Z 219 37.423 -44.451 3.624 1.00 64.01 O ATOM 1262 C3' DA Z 219 37.075 -45.749 5.448 1.00 56.37 C ATOM 1263 O3' DA Z 219 38.062 -45.052 6.144 1.00 55.52 O ATOM 1264 C2' DA Z 219 35.826 -44.915 5.194 1.00 54.82 C ATOM 1265 C1' DA Z 219 36.571 -43.811 4.518 1.00 54.26 C ATOM 1266 N9 DA Z 219 35.867 -42.664 3.992 1.00 52.36 N ATOM 1267 C8 DA Z 219 36.401 -41.451 3.691 1.00 49.84 C ATOM 1268 N7 DA Z 219 35.564 -40.564 3.268 1.00 42.08 N ATOM 1269 C5 DA Z 219 34.413 -41.255 3.297 1.00 44.71 C ATOM 1270 C6 DA Z 219 33.174 -40.849 2.953 1.00 45.09 C ATOM 1271 N6 DA Z 219 32.943 -39.625 2.508 1.00 50.23 N ATOM 1272 N1 DA Z 219 32.211 -41.726 3.082 1.00 50.99 N ATOM 1273 C2 DA Z 219 32.513 -42.937 3.511 1.00 50.80 C ATOM 1274 N3 DA Z 219 33.661 -43.457 3.878 1.00 47.17 N ATOM 1275 C4 DA Z 219 34.566 -42.532 3.733 1.00 47.99 C ATOM 1276 P DG Z 220 38.989 -45.814 7.147 1.00 55.63 P ATOM 1277 OP1 DG Z 220 40.212 -46.225 6.510 1.00 54.82 O ATOM 1278 OP2 DG Z 220 38.123 -46.740 7.815 1.00 57.04 O ATOM 1279 O5' DG Z 220 39.377 -44.718 8.151 1.00 51.50 O ATOM 1280 C5' DG Z 220 38.364 -43.853 8.378 1.00 48.31 C ATOM 1281 C4' DG Z 220 38.737 -42.454 8.002 1.00 38.76 C ATOM 1282 O4' DG Z 220 37.723 -42.079 7.091 1.00 34.34 O ATOM 1283 C3' DG Z 220 38.543 -41.597 9.199 1.00 30.23 C ATOM 1284 O3' DG Z 220 39.639 -40.900 9.415 1.00 32.37 O ATOM 1285 C2' DG Z 220 37.459 -40.653 8.818 1.00 34.11 C ATOM 1286 C1' DG Z 220 37.266 -40.804 7.344 1.00 31.69 C ATOM 1287 N9 DG Z 220 35.854 -40.794 7.034 1.00 30.90 N ATOM 1288 C8 DG Z 220 35.005 -41.818 7.167 1.00 27.34 C ATOM 1289 N7 DG Z 220 33.809 -41.557 6.835 1.00 21.83 N ATOM 1290 C5 DG Z 220 33.848 -40.259 6.472 1.00 26.23 C ATOM 1291 C6 DG Z 220 32.835 -39.432 6.004 1.00 26.68 C ATOM 1292 O6 DG Z 220 31.661 -39.649 5.827 1.00 30.07 O ATOM 1293 N1 DG Z 220 33.288 -38.189 5.736 1.00 22.87 N ATOM 1294 C2 DG Z 220 34.547 -37.807 5.867 1.00 28.34 C ATOM 1295 N2 DG Z 220 34.742 -36.561 5.541 1.00 28.68 N ATOM 1296 N3 DG Z 220 35.529 -38.543 6.296 1.00 32.20 N ATOM 1297 C4 DG Z 220 35.100 -39.776 6.576 1.00 31.58 C ATOM 1298 P DC Z 221 39.714 -40.124 10.751 1.00 44.52 P ATOM 1299 OP1 DC Z 221 41.004 -39.510 10.915 1.00 25.67 O ATOM 1300 OP2 DC Z 221 39.120 -40.981 11.733 1.00 38.47 O ATOM 1301 O5' DC Z 221 38.663 -39.019 10.519 1.00 38.46 O ATOM 1302 C5' DC Z 221 39.035 -37.739 10.781 1.00 36.52 C ATOM 1303 C4' DC Z 221 37.902 -36.811 10.487 1.00 41.06 C ATOM 1304 O4' DC Z 221 36.900 -37.572 9.843 1.00 37.42 O ATOM 1305 C3' DC Z 221 37.157 -36.302 11.685 1.00 39.32 C ATOM 1306 O3' DC Z 221 37.733 -35.186 12.141 1.00 34.01 O ATOM 1307 C2' DC Z 221 35.826 -35.953 11.069 1.00 40.15 C ATOM 1308 C1' DC Z 221 35.774 -36.782 9.823 1.00 34.98 C ATOM 1309 N1 DC Z 221 34.754 -37.741 9.767 1.00 34.73 N ATOM 1310 C2 DC Z 221 33.531 -37.408 9.299 1.00 34.61 C ATOM 1311 O2 DC Z 221 33.343 -36.274 9.005 1.00 37.39 O ATOM 1312 N3 DC Z 221 32.592 -38.304 9.194 1.00 29.21 N ATOM 1313 C4 DC Z 221 32.865 -39.510 9.552 1.00 31.59 C ATOM 1314 N4 DC Z 221 31.903 -40.371 9.440 1.00 35.95 N ATOM 1315 C5 DC Z 221 34.110 -39.915 10.020 1.00 30.92 C ATOM 1316 C6 DC Z 221 35.038 -38.993 10.101 1.00 33.20 C ATOM 1317 P DC Z 222 37.926 -35.215 13.633 1.00 33.89 P ATOM 1318 OP1 DC Z 222 39.155 -34.566 13.928 1.00 31.13 O ATOM 1319 OP2 DC Z 222 37.632 -36.556 14.038 1.00 27.29 O ATOM 1320 O5' DC Z 222 36.834 -34.246 14.074 1.00 31.67 O ATOM 1321 C5' DC Z 222 35.728 -34.168 13.303 1.00 32.48 C ATOM 1322 C4' DC Z 222 34.578 -33.526 14.021 1.00 33.76 C ATOM 1323 O4' DC Z 222 33.435 -34.045 13.359 1.00 35.53 O ATOM 1324 C3' DC Z 222 34.387 -33.933 15.445 1.00 33.05 C ATOM 1325 O3' DC Z 222 33.393 -33.167 16.023 1.00 29.06 O ATOM 1326 C2' DC Z 222 33.917 -35.328 15.139 1.00 29.27 C ATOM 1327 C1' DC Z 222 32.826 -34.968 14.186 1.00 33.80 C ATOM 1328 N1 DC Z 222 32.141 -36.078 13.519 1.00 26.29 N ATOM 1329 C2 DC Z 222 30.912 -35.890 12.966 1.00 27.28 C ATOM 1330 O2 DC Z 222 30.412 -34.802 12.989 1.00 31.64 O ATOM 1331 N3 DC Z 222 30.279 -36.880 12.391 1.00 25.04 N ATOM 1332 C4 DC Z 222 30.826 -38.044 12.383 1.00 28.18 C ATOM 1333 N4 DC Z 222 30.134 -38.992 11.804 1.00 30.42 N ATOM 1334 C5 DC Z 222 32.065 -38.292 12.961 1.00 22.29 C ATOM 1335 C6 DC Z 222 32.685 -37.286 13.514 1.00 20.14 C ATOM 1336 P DA Z 223 33.400 -32.762 17.524 1.00 35.21 P ATOM 1337 OP1 DA Z 223 34.365 -31.770 17.808 1.00 29.44 O ATOM 1338 OP2 DA Z 223 33.403 -33.942 18.281 1.00 30.40 O ATOM 1339 O5' DA Z 223 32.047 -32.117 17.781 1.00 16.77 O ATOM 1340 C5' DA Z 223 31.835 -30.835 17.473 1.00 20.04 C ATOM 1341 C4' DA Z 223 30.393 -30.624 17.111 1.00 17.99 C ATOM 1342 O4' DA Z 223 30.040 -31.680 16.249 1.00 18.45 O ATOM 1343 C3' DA Z 223 29.405 -30.606 18.234 1.00 10.06 C ATOM 1344 O3' DA Z 223 28.454 -29.683 17.952 1.00 18.51 O ATOM 1345 C2' DA Z 223 28.886 -32.012 18.183 1.00 12.05 C ATOM 1346 C1' DA Z 223 28.918 -32.328 16.714 1.00 20.77 C ATOM 1347 N9 DA Z 223 29.029 -33.730 16.421 1.00 23.46 N ATOM 1348 C8 DA Z 223 30.043 -34.517 16.738 1.00 21.99 C ATOM 1349 N7 DA Z 223 29.905 -35.726 16.369 1.00 21.86 N ATOM 1350 C5 DA Z 223 28.698 -35.743 15.732 1.00 21.26 C ATOM 1351 C6 DA Z 223 27.963 -36.748 15.101 1.00 19.94 C ATOM 1352 N6 DA Z 223 28.347 -37.991 14.981 1.00 14.82 N ATOM 1353 N1 DA Z 223 26.802 -36.429 14.595 1.00 22.19 N ATOM 1354 C2 DA Z 223 26.413 -35.188 14.706 1.00 21.84 C ATOM 1355 N3 DA Z 223 27.010 -34.163 15.244 1.00 22.70 N ATOM 1356 C4 DA Z 223 28.157 -34.511 15.758 1.00 19.56 C ATOM 1357 P DT Z 224 27.544 -29.052 19.021 1.00 30.40 P ATOM 1358 OP1 DT Z 224 27.462 -27.646 18.914 1.00 27.74 O ATOM 1359 OP2 DT Z 224 27.931 -29.649 20.235 1.00 25.53 O ATOM 1360 O5' DT Z 224 26.137 -29.504 18.625 1.00 29.49 O ATOM 1361 C5' DT Z 224 25.946 -30.786 18.228 1.00 33.15 C ATOM 1362 C4' DT Z 224 24.511 -30.975 17.864 1.00 37.30 C ATOM 1363 O4' DT Z 224 24.442 -32.247 17.221 1.00 39.60 O ATOM 1364 C3' DT Z 224 23.605 -31.080 19.047 1.00 39.35 C ATOM 1365 O3' DT Z 224 22.331 -30.570 18.816 1.00 45.62 O ATOM 1366 C2' DT Z 224 23.601 -32.565 19.297 1.00 38.27 C ATOM 1367 C1' DT Z 224 23.757 -33.193 17.943 1.00 35.88 C ATOM 1368 N1 DT Z 224 24.571 -34.382 17.980 1.00 35.41 N ATOM 1369 C2 DT Z 224 24.123 -35.462 17.362 1.00 38.24 C ATOM 1370 O2 DT Z 224 23.087 -35.482 16.792 1.00 46.19 O ATOM 1371 N3 DT Z 224 24.892 -36.541 17.419 1.00 38.25 N ATOM 1372 C4 DT Z 224 26.066 -36.643 18.044 1.00 38.60 C ATOM 1373 O4 DT Z 224 26.734 -37.637 18.067 1.00 39.22 O ATOM 1374 C5 DT Z 224 26.490 -35.494 18.677 1.00 41.34 C ATOM 1375 C7 DT Z 224 27.794 -35.603 19.363 1.00 38.49 C ATOM 1376 C6 DT Z 224 25.748 -34.415 18.624 1.00 36.31 C ATOM 1377 P DG Z 225 21.434 -30.198 20.036 1.00 48.47 P ATOM 1378 OP1 DG Z 225 20.921 -28.877 19.823 1.00 47.11 O ATOM 1379 OP2 DG Z 225 22.161 -30.557 21.220 1.00 45.17 O ATOM 1380 O5' DG Z 225 20.291 -31.232 19.932 1.00 41.04 O ATOM 1381 C5' DG Z 225 19.998 -31.762 18.703 1.00 37.78 C ATOM 1382 C4' DG Z 225 19.022 -32.899 18.843 1.00 36.78 C ATOM 1383 O4' DG Z 225 19.787 -34.077 18.673 1.00 36.90 O ATOM 1384 C3' DG Z 225 18.418 -33.016 20.211 1.00 39.85 C ATOM 1385 O3' DG Z 225 17.236 -33.738 20.140 1.00 45.25 O ATOM 1386 C2' DG Z 225 19.496 -33.803 20.896 1.00 38.09 C ATOM 1387 C1' DG Z 225 19.782 -34.820 19.838 1.00 36.33 C ATOM 1388 N9 DG Z 225 21.046 -35.429 20.134 1.00 34.53 N ATOM 1389 C8 DG Z 225 22.013 -34.826 20.839 1.00 31.89 C ATOM 1390 N7 DG Z 225 23.035 -35.573 21.007 1.00 34.97 N ATOM 1391 C5 DG Z 225 22.700 -36.748 20.392 1.00 34.53 C ATOM 1392 C6 DG Z 225 23.428 -37.913 20.257 1.00 34.53 C ATOM 1393 O6 DG Z 225 24.536 -38.150 20.670 1.00 32.09 O ATOM 1394 N1 DG Z 225 22.750 -38.864 19.555 1.00 34.78 N ATOM 1395 C2 DG Z 225 21.516 -38.698 19.035 1.00 33.56 C ATOM 1396 N2 DG Z 225 21.002 -39.720 18.371 1.00 28.84 N ATOM 1397 N3 DG Z 225 20.823 -37.613 19.160 1.00 34.59 N ATOM 1398 C4 DG Z 225 21.478 -36.681 19.846 1.00 33.07 C ATOM 1399 P DG Z 226 16.222 -33.864 21.330 1.00 50.45 P ATOM 1400 OP1 DG Z 226 14.917 -33.559 20.799 1.00 48.95 O ATOM 1401 OP2 DG Z 226 16.725 -33.219 22.512 1.00 40.38 O ATOM 1402 O5' DG Z 226 16.283 -35.405 21.488 1.00 49.35 O ATOM 1403 C5' DG Z 226 15.994 -36.063 20.318 1.00 47.82 C ATOM 1404 C4' DG Z 226 15.958 -37.533 20.575 1.00 45.43 C ATOM 1405 O4' DG Z 226 17.311 -37.998 20.648 1.00 43.52 O ATOM 1406 C3' DG Z 226 15.359 -37.844 21.907 1.00 44.22 C ATOM 1407 O3' DG Z 226 14.530 -38.932 21.782 1.00 46.44 O ATOM 1408 C2' DG Z 226 16.582 -38.230 22.692 1.00 44.75 C ATOM 1409 C1' DG Z 226 17.449 -38.906 21.675 1.00 39.83 C ATOM 1410 N9 DG Z 226 18.796 -38.753 22.132 1.00 42.36 N ATOM 1411 C8 DG Z 226 19.268 -37.625 22.701 1.00 42.28 C ATOM 1412 N7 DG Z 226 20.493 -37.685 23.056 1.00 38.27 N ATOM 1413 C5 DG Z 226 20.849 -38.942 22.675 1.00 39.88 C ATOM 1414 C6 DG Z 226 22.068 -39.553 22.806 1.00 39.35 C ATOM 1415 O6 DG Z 226 23.085 -39.088 23.278 1.00 40.90 O ATOM 1416 N1 DG Z 226 22.041 -40.823 22.321 1.00 38.62 N ATOM 1417 C2 DG Z 226 20.974 -41.416 21.770 1.00 35.68 C ATOM 1418 N2 DG Z 226 21.185 -42.648 21.374 1.00 36.97 N ATOM 1419 N3 DG Z 226 19.815 -40.869 21.629 1.00 38.65 N ATOM 1420 C4 DG Z 226 19.830 -39.627 22.119 1.00 42.70 C TER 1421 DG Z 226 HETATM 1422 CO NCO Y 302 26.734 -32.446 7.081 1.00127.38 CO HETATM 1423 N1 NCO Y 302 28.246 -31.376 7.825 1.00130.36 N HETATM 1424 N2 NCO Y 302 27.623 -34.230 7.011 1.00129.04 N HETATM 1425 N3 NCO Y 302 25.146 -33.267 6.206 1.00130.23 N HETATM 1426 N4 NCO Y 302 25.884 -30.628 7.276 1.00129.69 N HETATM 1427 N5 NCO Y 302 26.005 -32.812 8.915 1.00132.10 N HETATM 1428 N6 NCO Y 302 27.250 -32.170 5.159 1.00131.12 N HETATM 1429 CO NCO Z 303 24.347 -36.624 25.107 1.00107.88 CO HETATM 1430 N1 NCO Z 303 24.308 -36.141 27.180 1.00107.92 N HETATM 1431 N2 NCO Z 303 26.108 -37.279 25.982 1.00105.32 N HETATM 1432 N3 NCO Z 303 24.555 -37.124 23.076 1.00105.97 N HETATM 1433 N4 NCO Z 303 22.725 -35.666 24.290 1.00103.16 N HETATM 1434 N5 NCO Z 303 23.281 -38.266 25.680 1.00106.92 N HETATM 1435 N6 NCO Z 303 25.884 -35.261 24.515 1.00108.73 N HETATM 1436 O HOH X 403 36.912 -21.906 28.578 1.00 11.27 O HETATM 1437 O HOH X 404 28.951 -17.831 19.866 0.50 11.93 O HETATM 1438 O HOH X 405 26.399 -32.798 -16.365 1.00 31.80 O HETATM 1439 O HOH X 406 39.752 -23.032 -6.798 1.00 34.98 O HETATM 1440 O HOH X 407 38.781 -18.044 -14.222 1.00 25.70 O HETATM 1441 O HOH X 408 31.040 -15.437 -18.470 1.00 29.89 O HETATM 1442 O HOH X 409 41.702 -10.732 9.533 1.00 26.02 O HETATM 1443 O HOH X 410 42.342 -11.668 4.897 1.00 26.79 O HETATM 1444 O HOH X 412 40.104 -27.539 19.584 1.00 30.96 O HETATM 1445 O HOH X 413 23.236 -10.905 11.735 1.00 32.94 O HETATM 1446 O HOH X 414 39.186 -10.111 10.909 1.00 44.48 O HETATM 1447 O HOH X 415 21.855 -10.991 -2.072 1.00 13.86 O HETATM 1448 O HOH X 416 16.232 -36.641 4.038 1.00 27.14 O HETATM 1449 O HOH X 417 15.330 -28.331 5.445 1.00 25.09 O HETATM 1450 O HOH X 418 32.694 -24.931 -13.933 1.00 23.09 O HETATM 1451 O HOH X 419 25.441 -26.252 -18.870 1.00 27.03 O HETATM 1452 O HOH X 420 48.703 -15.766 -5.032 1.00 44.26 O HETATM 1453 O HOH X 421 27.255 -38.714 5.888 1.00 18.14 O HETATM 1454 O HOH X 425 16.698 -32.024 -2.281 1.00 21.64 O HETATM 1455 O HOH Y 411 28.135 -52.184 23.305 1.00 17.89 O HETATM 1456 O HOH Y 423 46.093 -36.647 1.963 1.00 20.28 O HETATM 1457 O HOH Z 422 31.319 -43.335 6.675 1.00 10.04 O HETATM 1458 O HOH Z 424 41.495 -37.113 17.297 1.00 30.26 O CONECT 998 1012 CONECT 1012 998 1013 1014 1015 CONECT 1013 1012 CONECT 1014 1012 CONECT 1015 1012 1028 CONECT 1016 1017 1026 1031 CONECT 1017 1016 1018 1024 CONECT 1018 1017 1019 CONECT 1019 1018 1020 1021 CONECT 1020 1019 CONECT 1021 1019 1022 CONECT 1022 1021 1023 1024 CONECT 1023 1022 1034 CONECT 1024 1017 1022 1025 CONECT 1025 1024 1026 CONECT 1026 1016 1025 CONECT 1027 1031 1032 CONECT 1028 1015 1029 CONECT 1029 1028 1030 1032 CONECT 1030 1029 1031 CONECT 1031 1016 1027 1030 CONECT 1032 1027 1029 1033 CONECT 1033 1032 1035 CONECT 1034 1023 CONECT 1035 1033 CONECT 1422 1423 1424 1425 1426 CONECT 1422 1427 1428 CONECT 1423 1422 CONECT 1424 1422 CONECT 1425 1422 CONECT 1426 1422 CONECT 1427 1422 CONECT 1428 1422 CONECT 1429 1430 1431 1432 1433 CONECT 1429 1434 1435 CONECT 1430 1429 CONECT 1431 1429 CONECT 1432 1429 CONECT 1433 1429 CONECT 1434 1429 CONECT 1435 1429 MASTER 540 0 3 7 2 0 4 6 1455 3 41 11 END
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Related entries of code: 3gx4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
13aa, >3GYH_3|Chain... at 100%
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PDBbind
13aa, >4HDU_3|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
2c2e
RCSB PDB
PDBbind
13-mer
3a46
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PDBbind
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3gyh
RCSB PDB
PDBbind
13-mer
3hjw
RCSB PDB
PDBbind
13-mer
3l2c
RCSB PDB
PDBbind
13-mer
3lzi
RCSB PDB
PDBbind
13-mer
3lzj
RCSB PDB
PDBbind
13-mer
3nae
RCSB PDB
PDBbind
13-mer
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RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
3gx4
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Alkyltransferase-like protein 1
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=0.35nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Nature Vol. 459: pp. 808-813
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9UTN9
Entrez Gene ID
NCBI Entrez Gene ID:
2541704
ASD
Information of known allosteric effects of PDB entries
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