Browse entries in the PDBbind-CN Database
HEADER IMMUNE SYSTEM/DNA 21-DEC-16 5UC6 TITLE STRUCTURAL INSIGHTS INTO IL-1 ALPHA RECOGNITION BY A NAPHTHYL-MODIFIED TITLE 2 APTAMER THAT MIMICS IL-1RI DOMAIN III COMPND MOL_ID: 1; COMPND 2 MOLECULE: INTERLEUKIN-1 ALPHA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 113-271; COMPND 5 SYNONYM: IL-1 ALPHA,HEMATOPOIETIN-1; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))- COMPND 9 D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)- COMPND 10 R(P*(85Y))-D(P*CP*GP*(ATD))-3'); COMPND 11 CHAIN: B; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: IL1A, IL1F1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; SOURCE 11 ORGANISM_TAXID: 32630 KEYWDS SOMAMER, IMMUNE SYSTEM-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR X.REN,A.PYLE REVDAT 5 20-NOV-19 5UC6 1 REMARK REVDAT 4 22-AUG-18 5UC6 1 LINK ATOM REVDAT 3 15-NOV-17 5UC6 1 COMPND REMARK HET HETNAM REVDAT 3 2 1 FORMUL LINK ATOM REVDAT 2 18-OCT-17 5UC6 1 JRNL REVDAT 1 11-OCT-17 5UC6 0 JRNL AUTH X.REN,A.D.GELINAS,I.VON CARLOWITZ,N.JANJIC,A.M.PYLE JRNL TITL STRUCTURAL BASIS FOR IL-1 ALPHA RECOGNITION BY A MODIFIED JRNL TITL 2 DNA APTAMER THAT SPECIFICALLY INHIBITS IL-1 ALPHA SIGNALING. JRNL REF NAT COMMUN V. 8 810 2017 JRNL REFN ESSN 2041-1723 JRNL PMID 28993621 JRNL DOI 10.1038/S41467-017-00864-2 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.11.1_2575) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 64.77 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 16627 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.179 REMARK 3 R VALUE (WORKING SET) : 0.178 REMARK 3 FREE R VALUE : 0.219 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.730 REMARK 3 FREE R VALUE TEST SET COUNT : 787 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 64.8006 - 3.8158 0.97 2732 118 0.1497 0.2009 REMARK 3 2 3.8158 - 3.0287 0.99 2658 123 0.1648 0.1853 REMARK 3 3 3.0287 - 2.6458 0.99 2601 164 0.2106 0.2314 REMARK 3 4 2.6458 - 2.4039 1.00 2598 132 0.2170 0.2707 REMARK 3 5 2.4039 - 2.2316 1.00 2625 120 0.2278 0.2762 REMARK 3 6 2.2316 - 2.1000 1.00 2626 130 0.2144 0.2648 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.190 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.450 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.007 1863 REMARK 3 ANGLE : 1.344 2581 REMARK 3 CHIRALITY : 0.097 279 REMARK 3 PLANARITY : 0.006 244 REMARK 3 DIHEDRAL : 20.686 966 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5UC6 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JAN-17. REMARK 100 THE DEPOSITION ID IS D_1000225640. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-MAR-14 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 : APS REMARK 200 BEAMLINE : 24-ID-C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9999 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M-F REMARK 200 INTENSITY-INTEGRATION SOFTWARE : IMOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 16642 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 64.770 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.5 REMARK 200 DATA REDUNDANCY : 9.700 REMARK 200 R MERGE (I) : 0.09200 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.21 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 9.90 REMARK 200 R MERGE FOR SHELL (I) : 0.56000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 2ILA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.37 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.64 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.2 M NACL, 0.1 M NA ACETATE, AND 22% REMARK 280 POLYETHYLENE GLYCOL 8,000, EVAPORATION, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 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 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 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 28.78667 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 57.57333 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 57.57333 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 28.78667 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1690 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10720 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -31.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 A 375 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 SER A 1 REMARK 465 ALA A 2 REMARK 465 PRO A 3 REMARK 465 PHE A 4 REMARK 465 SER A 5 REMARK 465 PHE A 6 REMARK 465 LEU A 7 REMARK 465 SER A 8 REMARK 465 ATD B 23 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 HOH A 360 O HOH A 385 2.02 REMARK 500 O HOH B 226 O HOH B 248 2.03 REMARK 500 O HOH A 328 O HOH B 218 2.03 REMARK 500 OD1 ASP A 49 O HOH A 301 2.07 REMARK 500 O HOH B 236 O HOH B 247 2.09 REMARK 500 O HOH A 348 O HOH A 377 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 346 O HOH B 243 3884 2.18 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 DA B 5 O3' DA B 5 C3' -0.041 REMARK 500 DG B 17 O3' DG B 17 C3' -0.038 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 DG B 2 C3' - O3' - P ANGL. DEV. = 9.4 DEGREES REMARK 500 85Y B 3 O3' - P - O5' ANGL. DEV. = -21.5 DEGREES REMARK 500 85Y B 3 O3' - P - OP1 ANGL. DEV. = 6.8 DEGREES REMARK 500 85Y B 3 C3' - O3' - P ANGL. DEV. = -8.2 DEGREES REMARK 500 DG B 4 O3' - P - OP2 ANGL. DEV. = 12.6 DEGREES REMARK 500 85Y B 7 O3' - P - OP2 ANGL. DEV. = 6.8 DEGREES REMARK 500 85Y B 7 C3' - O3' - P ANGL. DEV. = 9.5 DEGREES REMARK 500 DA B 9 C3' - O3' - P ANGL. DEV. = 7.3 DEGREES REMARK 500 85Y B 10 O3' - P - OP2 ANGL. DEV. = 6.7 DEGREES REMARK 500 DG B 11 O4' - C1' - N9 ANGL. DEV. = 2.1 DEGREES REMARK 500 DG B 13 O4' - C1' - N9 ANGL. DEV. = 1.9 DEGREES REMARK 500 DG B 13 C3' - O3' - P ANGL. DEV. = 19.6 DEGREES REMARK 500 85Y B 15 C3' - O3' - P ANGL. DEV. = 11.6 DEGREES REMARK 500 DA B 16 O3' - P - OP2 ANGL. DEV. = 6.9 DEGREES REMARK 500 85Y B 20 O3' - P - O5' ANGL. DEV. = 17.9 DEGREES REMARK 500 85Y B 20 O3' - P - OP2 ANGL. DEV. = 7.2 DEGREES REMARK 500 85Y B 20 O3' - P - OP1 ANGL. DEV. = -26.9 DEGREES REMARK 500 DC B 21 O3' - P - O5' ANGL. DEV. = 46.9 DEGREES REMARK 500 DC B 21 O3' - P - OP1 ANGL. DEV. = -34.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 MET A 15 -75.37 -96.55 REMARK 500 ASN A 36 -126.60 -132.46 REMARK 500 GLN A 84 -131.05 -109.96 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 202 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 64 OD1 REMARK 620 2 ASP A 65 O 106.0 REMARK 620 3 85Y B 7 O21 91.8 86.9 REMARK 620 4 HOH B 222 O 160.5 93.1 93.5 REMARK 620 5 HOH B 245 O 89.3 163.3 99.8 71.3 REMARK 620 6 HOH A 333 O 80.9 79.1 161.6 99.0 97.0 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 204 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 VAL A 90 O REMARK 620 2 VAL A 140 O 103.3 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 205 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 108 O REMARK 620 2 LEU A 110 O 106.0 REMARK 620 3 SER A 124 OG 138.0 113.8 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 203 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ILE A 132 O REMARK 620 2 THR A 150 O 92.4 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue NA A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PO4 B 101 DBREF 5UC6 A 1 159 UNP P01583 IL1A_HUMAN 113 271 DBREF 5UC6 B 1 23 PDB 5UC6 5UC6 1 23 SEQRES 1 A 159 SER ALA PRO PHE SER PHE LEU SER ASN VAL LYS TYR ASN SEQRES 2 A 159 PHE MET ARG ILE ILE LYS TYR GLU PHE ILE LEU ASN ASP SEQRES 3 A 159 ALA LEU ASN GLN SER ILE ILE ARG ALA ASN ASP GLN TYR SEQRES 4 A 159 LEU THR ALA ALA ALA LEU HIS ASN LEU ASP GLU ALA VAL SEQRES 5 A 159 LYS PHE ASP MET GLY ALA TYR LYS SER SER LYS ASP ASP SEQRES 6 A 159 ALA LYS ILE THR VAL ILE LEU ARG ILE SER LYS THR GLN SEQRES 7 A 159 LEU TYR VAL THR ALA GLN ASP GLU ASP GLN PRO VAL LEU SEQRES 8 A 159 LEU LYS GLU MET PRO GLU ILE PRO LYS THR ILE THR GLY SEQRES 9 A 159 SER GLU THR ASN LEU LEU PHE PHE TRP GLU THR HIS GLY SEQRES 10 A 159 THR LYS ASN TYR PHE THR SER VAL ALA HIS PRO ASN LEU SEQRES 11 A 159 PHE ILE ALA THR LYS GLN ASP TYR TRP VAL CYS LEU ALA SEQRES 12 A 159 GLY GLY PRO PRO SER ILE THR ASP PHE GLN ILE LEU GLU SEQRES 13 A 159 ASN GLN ALA SEQRES 1 B 23 DC DG 85Y DG DA DG 85Y 85Y DA 85Y DG DG DG SEQRES 2 B 23 85Y 85Y DA DG DA DG 85Y DC DG ATD HET 85Y B 3 33 HET 85Y B 7 33 HET 85Y B 8 33 HET 85Y B 10 33 HET 85Y B 14 33 HET 85Y B 15 33 HET 85Y B 20 33 HET MG A 201 1 HET NA A 202 1 HET MG A 203 1 HET MG A 204 1 HET MG A 205 1 HET PO4 B 101 4 HETNAM 85Y 2'-DEOXY-5-{[(NAPHTHALEN-2-YL)METHYL]CARBAMOYL}URIDINE HETNAM 2 85Y 5'-(DIHYDROGEN PHOSPHATE) HETNAM MG MAGNESIUM ION HETNAM NA SODIUM ION HETNAM PO4 PHOSPHATE ION FORMUL 2 85Y 7(C21 H22 N3 O9 P) FORMUL 3 MG 4(MG 2+) FORMUL 4 NA NA 1+ FORMUL 8 PO4 O4 P 3- FORMUL 9 HOH *145(H2 O) HELIX 1 AA1 ASN A 47 ALA A 51 5 5 HELIX 2 AA2 SER A 105 LEU A 109 5 5 SHEET 1 AA1 8 THR A 101 THR A 103 0 SHEET 2 AA1 8 LYS A 11 ASP A 26 -1 N TYR A 12 O ILE A 102 SHEET 3 AA1 8 PHE A 152 LEU A 155 -1 O GLN A 153 N ASN A 25 SHEET 4 AA1 8 LYS A 119 SER A 124 -1 N ASN A 120 O PHE A 152 SHEET 5 AA1 8 PHE A 111 HIS A 116 -1 N PHE A 112 O THR A 123 SHEET 6 AA1 8 THR A 69 ILE A 74 -1 N VAL A 70 O PHE A 111 SHEET 7 AA1 8 PHE A 54 SER A 61 -1 N ASP A 55 O ARG A 73 SHEET 8 AA1 8 LYS A 11 ASP A 26 -1 N MET A 15 O ALA A 58 SHEET 1 AA2 2 SER A 31 ARG A 34 0 SHEET 2 AA2 2 LEU A 40 ALA A 43 -1 O ALA A 43 N SER A 31 SHEET 1 AA3 2 LEU A 79 THR A 82 0 SHEET 2 AA3 2 LEU A 91 GLU A 94 -1 O LYS A 93 N TYR A 80 SHEET 1 AA4 2 PHE A 131 ALA A 133 0 SHEET 2 AA4 2 CYS A 141 ALA A 143 -1 O ALA A 143 N PHE A 131 LINK O LYS A 11 MG MG A 201 1555 1555 2.86 LINK OD1 ASP A 64 NA NA A 202 1555 1555 2.40 LINK O ASP A 65 NA NA A 202 1555 1555 2.34 LINK O VAL A 90 MG MG A 204 1555 1555 2.80 LINK O ASN A 108 MG MG A 205 1555 1555 2.89 LINK O LEU A 110 MG MG A 205 1555 1555 2.78 LINK OG SER A 124 MG MG A 205 1555 1555 2.62 LINK O ILE A 132 MG MG A 203 1555 1555 2.96 LINK O VAL A 140 MG MG A 204 1555 1555 2.94 LINK O THR A 150 MG MG A 203 1555 1555 2.55 LINK O3' DG B 2 P 85Y B 3 1555 1555 1.56 LINK O3' 85Y B 3 P DG B 4 1555 1555 1.56 LINK O3' DG B 6 P 85Y B 7 1555 1555 1.56 LINK O3' 85Y B 7 P 85Y B 8 1555 1555 1.56 LINK O21 85Y B 7 NA NA A 202 1555 1555 2.53 LINK O3' 85Y B 8 P DA B 9 1555 1555 1.56 LINK O3' DA B 9 P 85Y B 10 1555 1555 1.56 LINK O3' 85Y B 10 P DG B 11 1555 1555 1.56 LINK O3' DG B 13 P 85Y B 14 1555 1555 1.56 LINK O3' 85Y B 14 P 85Y B 15 1555 1555 1.56 LINK O3' 85Y B 15 P DA B 16 1555 1555 1.56 LINK O3' DG B 19 P 85Y B 20 1555 1555 1.56 LINK O3' 85Y B 20 P DC B 21 1555 1555 1.56 LINK O3' DG B 22 P PO4 B 101 1555 1555 1.56 LINK NA NA A 202 O HOH B 222 1555 1555 2.20 LINK NA NA A 202 O HOH B 245 1555 1555 2.63 LINK NA NA A 202 O HOH A 333 1555 1555 2.42 CISPEP 1 PRO A 146 PRO A 147 0 3.92 SITE 1 AC1 5 LYS A 11 ASN A 13 LYS A 60 SER A 61 SITE 2 AC1 5 SER A 62 SITE 1 AC2 6 ASP A 64 ASP A 65 HOH A 333 85Y B 7 SITE 2 AC2 6 HOH B 222 HOH B 245 SITE 1 AC3 5 TYR A 121 PHE A 122 ILE A 132 THR A 150 SITE 2 AC3 5 PHE A 152 SITE 1 AC4 6 TYR A 39 LEU A 40 PRO A 89 VAL A 90 SITE 2 AC4 6 TRP A 139 VAL A 140 SITE 1 AC5 6 ALA A 83 THR A 107 ASN A 108 LEU A 110 SITE 2 AC5 6 SER A 124 VAL A 125 SITE 1 AC6 2 DG B 22 HOH B 229 CRYST1 74.790 74.790 86.360 90.00 90.00 120.00 P 31 2 1 6 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 0.013371 0.007720 0.000000 0.00000 SCALE2 0.000000 0.015439 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011579 0.00000 ATOM 1 N ASN A 9 110.890 67.584 106.741 1.00 58.68 N ATOM 2 CA ASN A 9 110.155 67.552 108.002 1.00 54.40 C ATOM 3 C ASN A 9 109.357 66.249 108.127 1.00 43.58 C ATOM 4 O ASN A 9 109.948 65.168 108.152 1.00 45.44 O ATOM 5 CB ASN A 9 109.242 68.769 108.111 1.00 58.35 C ATOM 6 CG ASN A 9 109.966 70.061 107.773 1.00 67.58 C ATOM 7 OD1 ASN A 9 111.180 70.066 107.565 1.00 70.19 O ATOM 8 ND2 ASN A 9 109.227 71.163 107.722 1.00 66.93 N ATOM 9 N VAL A 10 108.032 66.329 108.214 1.00 43.68 N ATOM 10 CA VAL A 10 107.241 65.106 108.294 1.00 41.58 C ATOM 11 C VAL A 10 107.181 64.469 106.912 1.00 35.08 C ATOM 12 O VAL A 10 106.952 65.150 105.908 1.00 36.52 O ATOM 13 CB VAL A 10 105.836 65.386 108.852 1.00 41.84 C ATOM 14 CG1 VAL A 10 105.085 64.073 109.097 1.00 32.70 C ATOM 15 CG2 VAL A 10 105.932 66.175 110.139 1.00 49.64 C ATOM 16 N LYS A 11 107.434 63.166 106.850 1.00 34.03 N ATOM 17 CA LYS A 11 107.302 62.395 105.626 1.00 26.30 C ATOM 18 C LYS A 11 106.206 61.356 105.804 1.00 30.06 C ATOM 19 O LYS A 11 106.044 60.782 106.887 1.00 26.57 O ATOM 20 CB LYS A 11 108.591 61.665 105.249 1.00 35.49 C ATOM 21 CG LYS A 11 109.859 62.491 105.297 1.00 45.26 C ATOM 22 CD LYS A 11 111.059 61.580 105.057 1.00 50.73 C ATOM 23 CE LYS A 11 112.372 62.248 105.455 1.00 66.84 C ATOM 24 NZ LYS A 11 112.570 63.541 104.745 1.00 64.70 N ATOM 25 N TYR A 12 105.481 61.096 104.721 1.00 27.81 N ATOM 26 CA TYR A 12 104.435 60.091 104.688 1.00 28.26 C ATOM 27 C TYR A 12 104.839 58.992 103.714 1.00 26.75 C ATOM 28 O TYR A 12 105.288 59.276 102.603 1.00 29.43 O ATOM 29 CB TYR A 12 103.096 60.734 104.301 1.00 22.46 C ATOM 30 CG TYR A 12 102.570 61.624 105.424 1.00 25.08 C ATOM 31 CD1 TYR A 12 101.819 61.084 106.462 1.00 25.70 C ATOM 32 CD2 TYR A 12 102.860 62.984 105.463 1.00 27.82 C ATOM 33 CE1 TYR A 12 101.367 61.860 107.493 1.00 26.78 C ATOM 34 CE2 TYR A 12 102.396 63.788 106.507 1.00 25.75 C ATOM 35 CZ TYR A 12 101.657 63.211 107.517 1.00 30.46 C ATOM 36 OH TYR A 12 101.186 63.961 108.577 1.00 35.75 O ATOM 37 N ASN A 13 104.680 57.736 104.122 1.00 25.45 N ATOM 38 CA ASN A 13 105.023 56.613 103.259 1.00 29.86 C ATOM 39 C ASN A 13 103.783 55.774 103.000 1.00 24.65 C ATOM 40 O ASN A 13 103.058 55.426 103.933 1.00 24.34 O ATOM 41 CB ASN A 13 106.138 55.754 103.876 1.00 26.56 C ATOM 42 CG ASN A 13 107.486 56.449 103.855 1.00 33.10 C ATOM 43 OD1 ASN A 13 108.287 56.253 102.940 1.00 39.94 O ATOM 44 ND2 ASN A 13 107.742 57.266 104.863 1.00 31.25 N ATOM 45 N PHE A 14 103.575 55.416 101.739 1.00 27.31 N ATOM 46 CA PHE A 14 102.426 54.606 101.355 1.00 28.16 C ATOM 47 C PHE A 14 102.531 53.189 101.913 1.00 29.17 C ATOM 48 O PHE A 14 103.560 52.527 101.763 1.00 28.67 O ATOM 49 CB PHE A 14 102.307 54.558 99.833 1.00 27.43 C ATOM 50 CG PHE A 14 101.166 53.689 99.341 1.00 33.05 C ATOM 51 CD1 PHE A 14 99.865 53.946 99.744 1.00 27.27 C ATOM 52 CD2 PHE A 14 101.402 52.615 98.482 1.00 33.26 C ATOM 53 CE1 PHE A 14 98.824 53.163 99.305 1.00 25.65 C ATOM 54 CE2 PHE A 14 100.344 51.815 98.038 1.00 29.18 C ATOM 55 CZ PHE A 14 99.064 52.100 98.440 1.00 24.74 C ATOM 56 N MET A 15 101.452 52.708 102.531 1.00 24.34 N ATOM 57 CA MET A 15 101.396 51.319 102.972 1.00 23.58 C ATOM 58 C MET A 15 100.674 50.471 101.932 1.00 27.10 C ATOM 59 O MET A 15 101.325 49.749 101.180 1.00 25.75 O ATOM 60 CB MET A 15 100.708 51.211 104.332 1.00 22.89 C ATOM 61 CG MET A 15 101.346 52.085 105.415 1.00 30.27 C ATOM 62 SD MET A 15 102.862 51.329 106.030 1.00 37.53 S ATOM 63 CE MET A 15 104.104 52.082 105.000 1.00 34.50 C ATOM 64 N ARG A 16 99.343 50.573 101.860 1.00 26.57 N ATOM 65 CA ARG A 16 98.554 49.836 100.872 1.00 27.97 C ATOM 66 C ARG A 16 97.148 50.423 100.819 1.00 31.16 C ATOM 67 O ARG A 16 96.748 51.222 101.675 1.00 26.11 O ATOM 68 CB ARG A 16 98.485 48.340 101.192 1.00 31.46 C ATOM 69 CG ARG A 16 97.835 48.006 102.513 1.00 27.16 C ATOM 70 CD ARG A 16 97.869 46.491 102.746 1.00 34.82 C ATOM 71 NE ARG A 16 97.199 46.087 103.982 1.00 33.33 N ATOM 72 CZ ARG A 16 95.902 45.804 104.076 1.00 32.13 C ATOM 73 NH1 ARG A 16 95.109 45.899 103.012 1.00 35.99 N ATOM 74 NH2 ARG A 16 95.392 45.435 105.240 1.00 34.05 N ATOM 75 N ILE A 17 96.400 50.008 99.793 1.00 29.88 N ATOM 76 CA ILE A 17 94.982 50.332 99.716 1.00 28.94 C ATOM 77 C ILE A 17 94.260 49.528 100.782 1.00 32.73 C ATOM 78 O ILE A 17 94.447 48.311 100.894 1.00 31.62 O ATOM 79 CB ILE A 17 94.423 50.029 98.313 1.00 26.93 C ATOM 80 CG1 ILE A 17 95.224 50.721 97.223 1.00 29.64 C ATOM 81 CG2 ILE A 17 92.966 50.421 98.224 1.00 30.30 C ATOM 82 CD1 ILE A 17 95.093 52.239 97.216 1.00 30.85 C ATOM 83 N ILE A 18 93.450 50.200 101.593 1.00 25.62 N ATOM 84 CA ILE A 18 92.721 49.521 102.657 1.00 25.53 C ATOM 85 C ILE A 18 91.218 49.506 102.428 1.00 35.69 C ATOM 86 O ILE A 18 90.490 48.890 103.224 1.00 31.57 O ATOM 87 CB ILE A 18 93.044 50.134 104.034 1.00 27.22 C ATOM 88 CG1 ILE A 18 92.715 51.629 104.042 1.00 28.17 C ATOM 89 CG2 ILE A 18 94.532 49.881 104.408 1.00 25.70 C ATOM 90 CD1 ILE A 18 92.471 52.194 105.418 1.00 27.73 C ATOM 91 N LYS A 19 90.727 50.166 101.378 1.00 33.40 N ATOM 92 CA LYS A 19 89.307 50.160 101.037 1.00 34.01 C ATOM 93 C LYS A 19 89.166 50.366 99.538 1.00 33.04 C ATOM 94 O LYS A 19 89.750 51.307 98.993 1.00 33.13 O ATOM 95 CB LYS A 19 88.555 51.256 101.792 1.00 30.70 C ATOM 96 CG LYS A 19 87.720 50.770 102.953 1.00 41.69 C ATOM 97 CD LYS A 19 86.741 51.843 103.420 1.00 41.09 C ATOM 98 CE LYS A 19 86.794 51.987 104.922 1.00 39.88 C ATOM 99 NZ LYS A 19 86.678 50.674 105.605 1.00 40.95 N ATOM 100 N TYR A 20 88.403 49.487 98.886 1.00 33.17 N ATOM 101 CA TYR A 20 88.149 49.539 97.450 1.00 36.55 C ATOM 102 C TYR A 20 86.683 49.855 97.184 1.00 35.57 C ATOM 103 O TYR A 20 85.795 49.299 97.835 1.00 39.38 O ATOM 104 CB TYR A 20 88.493 48.205 96.762 1.00 38.52 C ATOM 105 CG TYR A 20 89.973 47.972 96.535 1.00 36.94 C ATOM 106 CD1 TYR A 20 90.623 48.535 95.443 1.00 32.70 C ATOM 107 CD2 TYR A 20 90.717 47.205 97.414 1.00 30.41 C ATOM 108 CE1 TYR A 20 91.976 48.333 95.229 1.00 36.88 C ATOM 109 CE2 TYR A 20 92.081 46.995 97.207 1.00 36.31 C ATOM 110 CZ TYR A 20 92.699 47.564 96.111 1.00 38.47 C ATOM 111 OH TYR A 20 94.047 47.375 95.882 1.00 44.19 O ATOM 112 N GLU A 21 86.445 50.764 96.237 1.00 35.82 N ATOM 113 CA GLU A 21 85.134 50.958 95.603 1.00 36.75 C ATOM 114 C GLU A 21 84.035 51.290 96.614 1.00 34.12 C ATOM 115 O GLU A 21 83.000 50.627 96.680 1.00 32.38 O ATOM 116 CB GLU A 21 84.752 49.713 94.793 1.00 42.55 C ATOM 117 CG GLU A 21 85.779 49.319 93.755 1.00 40.13 C ATOM 118 CD GLU A 21 85.434 49.868 92.404 1.00 42.91 C ATOM 119 OE1 GLU A 21 84.373 50.518 92.301 1.00 49.25 O ATOM 120 OE2 GLU A 21 86.205 49.652 91.450 1.00 47.45 O ATOM 121 N PHE A 22 84.256 52.337 97.398 1.00 29.12 N ATOM 122 CA PHE A 22 83.215 52.779 98.311 1.00 29.38 C ATOM 123 C PHE A 22 82.622 54.103 97.840 1.00 30.85 C ATOM 124 O PHE A 22 83.210 54.823 97.030 1.00 30.33 O ATOM 125 CB PHE A 22 83.734 52.901 99.748 1.00 31.96 C ATOM 126 CG PHE A 22 84.843 53.905 99.925 1.00 25.15 C ATOM 127 CD1 PHE A 22 86.170 53.524 99.807 1.00 29.02 C ATOM 128 CD2 PHE A 22 84.555 55.227 100.224 1.00 27.79 C ATOM 129 CE1 PHE A 22 87.206 54.458 99.988 1.00 25.72 C ATOM 130 CE2 PHE A 22 85.571 56.158 100.397 1.00 22.60 C ATOM 131 CZ PHE A 22 86.907 55.759 100.275 1.00 26.95 C ATOM 132 N ILE A 23 81.435 54.409 98.364 1.00 30.93 N ATOM 133 CA ILE A 23 80.698 55.626 98.042 1.00 28.47 C ATOM 134 C ILE A 23 80.710 56.523 99.270 1.00 28.77 C ATOM 135 O ILE A 23 80.631 56.032 100.403 1.00 29.56 O ATOM 136 CB ILE A 23 79.254 55.292 97.597 1.00 30.45 C ATOM 137 CG1 ILE A 23 79.236 54.840 96.137 1.00 29.51 C ATOM 138 CG2 ILE A 23 78.301 56.471 97.815 1.00 29.02 C ATOM 139 CD1 ILE A 23 77.897 54.340 95.657 1.00 32.83 C ATOM 140 N LEU A 24 80.831 57.836 99.054 1.00 23.37 N ATOM 141 CA LEU A 24 80.708 58.816 100.128 1.00 28.38 C ATOM 142 C LEU A 24 79.339 59.491 100.050 1.00 27.84 C ATOM 143 O LEU A 24 79.034 60.157 99.056 1.00 29.12 O ATOM 144 CB LEU A 24 81.825 59.865 100.040 1.00 24.06 C ATOM 145 CG LEU A 24 83.224 59.333 100.373 1.00 27.35 C ATOM 146 CD1 LEU A 24 84.283 60.381 100.045 1.00 30.59 C ATOM 147 CD2 LEU A 24 83.302 58.921 101.823 1.00 27.50 C ATOM 148 N ASN A 25 78.533 59.348 101.102 1.00 29.88 N ATOM 149 CA ASN A 25 77.261 60.057 101.227 1.00 31.87 C ATOM 150 C ASN A 25 77.344 61.060 102.365 1.00 33.45 C ATOM 151 O ASN A 25 77.765 60.709 103.472 1.00 30.90 O ATOM 152 CB ASN A 25 76.096 59.099 101.492 1.00 33.67 C ATOM 153 CG ASN A 25 75.726 58.281 100.287 1.00 32.63 C ATOM 154 OD1 ASN A 25 75.941 58.691 99.149 1.00 34.82 O ATOM 155 ND2 ASN A 25 75.169 57.108 100.527 1.00 41.95 N ATOM 156 N ASP A 26 76.925 62.300 102.107 1.00 34.96 N ATOM 157 CA ASP A 26 76.977 63.284 103.174 1.00 32.76 C ATOM 158 C ASP A 26 75.787 63.080 104.113 1.00 35.08 C ATOM 159 O ASP A 26 74.948 62.197 103.913 1.00 35.59 O ATOM 160 CB ASP A 26 77.084 64.704 102.598 1.00 36.57 C ATOM 161 CG ASP A 26 75.787 65.222 101.968 1.00 44.41 C ATOM 162 OD1 ASP A 26 74.696 64.648 102.185 1.00 41.92 O ATOM 163 OD2 ASP A 26 75.873 66.243 101.245 1.00 48.48 O ATOM 164 N ALA A 27 75.721 63.902 105.163 1.00 38.76 N ATOM 165 CA ALA A 27 74.688 63.765 106.186 1.00 39.49 C ATOM 166 C ALA A 27 73.283 64.037 105.658 1.00 43.75 C ATOM 167 O ALA A 27 72.308 63.700 106.341 1.00 41.26 O ATOM 168 CB ALA A 27 74.993 64.700 107.360 1.00 40.77 C ATOM 169 N LEU A 28 73.157 64.630 104.468 1.00 42.37 N ATOM 170 CA LEU A 28 71.874 64.895 103.827 1.00 41.21 C ATOM 171 C LEU A 28 71.510 63.838 102.784 1.00 42.05 C ATOM 172 O LEU A 28 70.701 64.111 101.889 1.00 40.14 O ATOM 173 CB LEU A 28 71.892 66.281 103.175 1.00 37.60 C ATOM 174 CG LEU A 28 71.481 67.500 104.002 1.00 49.58 C ATOM 175 CD1 LEU A 28 69.990 67.766 103.866 1.00 52.00 C ATOM 176 CD2 LEU A 28 71.860 67.349 105.461 1.00 49.04 C ATOM 177 N ASN A 29 72.111 62.654 102.864 1.00 36.76 N ATOM 178 CA ASN A 29 71.897 61.580 101.897 1.00 39.38 C ATOM 179 C ASN A 29 72.326 61.969 100.490 1.00 36.77 C ATOM 180 O ASN A 29 71.811 61.425 99.513 1.00 44.32 O ATOM 181 CB ASN A 29 70.433 61.118 101.869 1.00 40.54 C ATOM 182 CG ASN A 29 69.974 60.521 103.182 1.00 46.92 C ATOM 183 OD1 ASN A 29 70.639 59.650 103.751 1.00 47.72 O ATOM 184 ND2 ASN A 29 68.815 60.979 103.666 1.00 47.85 N ATOM 185 N GLN A 30 73.257 62.900 100.340 1.00 37.37 N ATOM 186 CA GLN A 30 73.747 63.279 99.024 1.00 36.99 C ATOM 187 C GLN A 30 75.039 62.531 98.731 1.00 35.72 C ATOM 188 O GLN A 30 75.944 62.495 99.569 1.00 40.61 O ATOM 189 CB GLN A 30 73.996 64.782 98.936 1.00 33.28 C ATOM 190 CG GLN A 30 72.781 65.639 99.093 1.00 39.25 C ATOM 191 CD GLN A 30 73.147 67.102 98.975 1.00 46.79 C ATOM 192 OE1 GLN A 30 72.663 67.803 98.094 1.00 47.77 O ATOM 193 NE2 GLN A 30 74.040 67.561 99.849 1.00 44.91 N ATOM 194 N SER A 31 75.135 61.967 97.537 1.00 32.85 N ATOM 195 CA SER A 31 76.328 61.244 97.135 1.00 34.18 C ATOM 196 C SER A 31 77.281 62.166 96.394 1.00 37.89 C ATOM 197 O SER A 31 76.859 63.096 95.698 1.00 31.34 O ATOM 198 CB SER A 31 75.964 60.049 96.251 1.00 35.06 C ATOM 199 OG SER A 31 75.006 59.238 96.905 1.00 34.06 O ATOM 200 N ILE A 32 78.581 61.898 96.559 1.00 28.94 N ATOM 201 CA ILE A 32 79.591 62.594 95.778 1.00 30.78 C ATOM 202 C ILE A 32 79.551 62.065 94.356 1.00 31.23 C ATOM 203 O ILE A 32 79.585 60.847 94.134 1.00 31.30 O ATOM 204 CB ILE A 32 80.993 62.398 96.377 1.00 31.92 C ATOM 205 CG1 ILE A 32 81.052 62.833 97.843 1.00 32.25 C ATOM 206 CG2 ILE A 32 82.042 63.075 95.504 1.00 26.08 C ATOM 207 CD1 ILE A 32 80.542 64.204 98.100 1.00 39.51 C ATOM 208 N ILE A 33 79.515 62.980 93.383 1.00 29.29 N ATOM 209 CA ILE A 33 79.491 62.644 91.965 1.00 34.32 C ATOM 210 C ILE A 33 80.503 63.531 91.253 1.00 36.04 C ATOM 211 O ILE A 33 80.966 64.536 91.795 1.00 31.57 O ATOM 212 CB ILE A 33 78.083 62.832 91.343 1.00 35.26 C ATOM 213 CG1 ILE A 33 77.760 64.323 91.226 1.00 38.49 C ATOM 214 CG2 ILE A 33 77.040 62.159 92.190 1.00 31.13 C ATOM 215 CD1 ILE A 33 76.354 64.623 90.711 1.00 44.91 C ATOM 216 N ARG A 34 80.849 63.145 90.022 1.00 38.28 N ATOM 217 CA ARG A 34 81.676 64.002 89.181 1.00 35.22 C ATOM 218 C ARG A 34 80.877 65.222 88.755 1.00 44.17 C ATOM 219 O ARG A 34 79.767 65.091 88.236 1.00 41.19 O ATOM 220 CB ARG A 34 82.151 63.274 87.919 1.00 44.34 C ATOM 221 CG ARG A 34 83.027 62.069 88.104 1.00 42.90 C ATOM 222 CD ARG A 34 84.419 62.426 88.636 1.00 48.47 C ATOM 223 NE ARG A 34 85.276 63.243 87.766 1.00 47.22 N ATOM 224 CZ ARG A 34 86.150 62.733 86.898 1.00 48.19 C ATOM 225 NH1 ARG A 34 86.227 61.417 86.759 1.00 41.71 N ATOM 226 NH2 ARG A 34 86.939 63.523 86.166 1.00 37.21 N ATOM 227 N ALA A 35 81.447 66.414 88.926 1.00 41.15 N ATOM 228 CA ALA A 35 80.761 67.593 88.410 1.00 41.76 C ATOM 229 C ALA A 35 81.054 67.771 86.920 1.00 53.30 C ATOM 230 O ALA A 35 80.148 67.722 86.080 1.00 64.97 O ATOM 231 CB ALA A 35 81.157 68.835 89.218 1.00 37.64 C ATOM 232 N ASN A 36 82.322 67.968 86.580 1.00 55.59 N ATOM 233 CA ASN A 36 82.768 67.968 85.196 1.00 56.97 C ATOM 234 C ASN A 36 84.006 67.087 85.110 1.00 52.37 C ATOM 235 O ASN A 36 83.986 65.943 85.573 1.00 56.49 O ATOM 236 CB ASN A 36 83.053 69.392 84.732 1.00 48.41 C ATOM 237 CG ASN A 36 83.764 70.205 85.793 1.00 53.75 C ATOM 238 OD1 ASN A 36 84.524 69.657 86.601 1.00 53.85 O ATOM 239 ND2 ASN A 36 83.514 71.509 85.812 1.00 51.76 N ATOM 240 N ASP A 37 85.100 67.608 84.563 1.00 55.15 N ATOM 241 CA ASP A 37 86.348 66.855 84.551 1.00 50.89 C ATOM 242 C ASP A 37 87.262 67.199 85.716 1.00 51.21 C ATOM 243 O ASP A 37 88.101 66.374 86.090 1.00 50.80 O ATOM 244 CB ASP A 37 87.105 67.095 83.241 1.00 57.32 C ATOM 245 CG ASP A 37 86.801 66.045 82.189 1.00 66.71 C ATOM 246 OD1 ASP A 37 85.629 65.620 82.079 1.00 63.78 O ATOM 247 OD2 ASP A 37 87.740 65.659 81.456 1.00 75.46 O ATOM 248 N GLN A 38 87.122 68.393 86.292 1.00 49.54 N ATOM 249 CA GLN A 38 88.017 68.851 87.352 1.00 47.95 C ATOM 250 C GLN A 38 87.486 68.545 88.743 1.00 41.61 C ATOM 251 O GLN A 38 88.254 68.148 89.623 1.00 39.54 O ATOM 252 CB GLN A 38 88.257 70.365 87.254 1.00 45.22 C ATOM 253 CG GLN A 38 89.224 70.789 86.179 1.00 45.18 C ATOM 254 CD GLN A 38 88.604 70.661 84.820 1.00 50.76 C ATOM 255 OE1 GLN A 38 87.474 71.103 84.607 1.00 49.70 O ATOM 256 NE2 GLN A 38 89.316 70.019 83.897 1.00 48.92 N ATOM 257 N TYR A 39 86.190 68.733 88.959 1.00 37.44 N ATOM 258 CA TYR A 39 85.657 68.860 90.300 1.00 35.75 C ATOM 259 C TYR A 39 84.693 67.727 90.635 1.00 35.30 C ATOM 260 O TYR A 39 84.319 66.901 89.800 1.00 34.94 O ATOM 261 CB TYR A 39 84.939 70.198 90.474 1.00 36.10 C ATOM 262 CG TYR A 39 85.753 71.411 90.102 1.00 44.99 C ATOM 263 CD1 TYR A 39 87.047 71.590 90.583 1.00 38.17 C ATOM 264 CD2 TYR A 39 85.222 72.390 89.270 1.00 42.51 C ATOM 265 CE1 TYR A 39 87.781 72.727 90.248 1.00 41.91 C ATOM 266 CE2 TYR A 39 85.944 73.511 88.928 1.00 37.83 C ATOM 267 CZ TYR A 39 87.220 73.682 89.415 1.00 44.27 C ATOM 268 OH TYR A 39 87.921 74.820 89.064 1.00 41.97 O ATOM 269 N LEU A 40 84.305 67.721 91.901 1.00 33.92 N ATOM 270 CA LEU A 40 83.279 66.855 92.444 1.00 34.04 C ATOM 271 C LEU A 40 82.158 67.735 92.972 1.00 31.65 C ATOM 272 O LEU A 40 82.385 68.875 93.377 1.00 32.20 O ATOM 273 CB LEU A 40 83.827 65.985 93.583 1.00 29.06 C ATOM 274 CG LEU A 40 84.991 65.033 93.328 1.00 29.16 C ATOM 275 CD1 LEU A 40 85.558 64.508 94.666 1.00 29.82 C ATOM 276 CD2 LEU A 40 84.571 63.878 92.451 1.00 30.96 C ATOM 277 N THR A 41 80.942 67.211 92.957 1.00 32.84 N ATOM 278 CA THR A 41 79.850 67.844 93.673 1.00 34.33 C ATOM 279 C THR A 41 79.103 66.739 94.413 1.00 35.70 C ATOM 280 O THR A 41 79.557 65.593 94.473 1.00 31.80 O ATOM 281 CB THR A 41 78.967 68.681 92.723 1.00 32.75 C ATOM 282 OG1 THR A 41 77.897 69.282 93.462 1.00 37.25 O ATOM 283 CG2 THR A 41 78.401 67.833 91.599 1.00 31.78 C ATOM 284 N ALA A 42 77.972 67.090 95.019 1.00 32.46 N ATOM 285 CA ALA A 42 77.153 66.134 95.742 1.00 30.93 C ATOM 286 C ALA A 42 75.700 66.305 95.321 1.00 37.08 C ATOM 287 O ALA A 42 75.251 67.415 95.035 1.00 39.56 O ATOM 288 CB ALA A 42 77.286 66.311 97.260 1.00 30.91 C ATOM 289 N ALA A 43 74.968 65.198 95.290 1.00 30.50 N ATOM 290 CA ALA A 43 73.585 65.229 94.841 1.00 39.44 C ATOM 291 C ALA A 43 72.848 64.033 95.420 1.00 36.31 C ATOM 292 O ALA A 43 73.428 62.960 95.618 1.00 36.47 O ATOM 293 CB ALA A 43 73.490 65.220 93.309 1.00 42.77 C ATOM 294 N ALA A 44 71.572 64.237 95.713 1.00 36.73 N ATOM 295 CA ALA A 44 70.713 63.140 96.134 1.00 40.01 C ATOM 296 C ALA A 44 70.448 62.237 94.935 1.00 42.69 C ATOM 297 O ALA A 44 69.984 62.704 93.890 1.00 43.49 O ATOM 298 CB ALA A 44 69.409 63.681 96.718 1.00 38.65 C ATOM 299 N LEU A 45 70.788 60.959 95.061 1.00 30.90 N ATOM 300 CA LEU A 45 70.720 60.029 93.947 1.00 30.98 C ATOM 301 C LEU A 45 69.733 58.927 94.275 1.00 39.21 C ATOM 302 O LEU A 45 69.725 58.403 95.393 1.00 38.96 O ATOM 303 CB LEU A 45 72.083 59.390 93.640 1.00 34.00 C ATOM 304 CG LEU A 45 73.227 60.245 93.098 1.00 33.97 C ATOM 305 CD1 LEU A 45 74.478 59.382 92.920 1.00 38.58 C ATOM 306 CD2 LEU A 45 72.858 60.913 91.780 1.00 41.58 C ATOM 307 N HIS A 46 68.903 58.579 93.293 1.00 36.50 N ATOM 308 CA HIS A 46 68.171 57.326 93.381 1.00 36.06 C ATOM 309 C HIS A 46 69.065 56.163 92.965 1.00 32.36 C ATOM 310 O HIS A 46 69.171 55.161 93.678 1.00 34.67 O ATOM 311 CB HIS A 46 66.896 57.414 92.528 1.00 32.37 C ATOM 312 CG HIS A 46 65.954 58.493 92.974 1.00 30.57 C ATOM 313 ND1 HIS A 46 65.614 59.569 92.178 1.00 36.13 N ATOM 314 CD2 HIS A 46 65.311 58.681 94.151 1.00 31.98 C ATOM 315 CE1 HIS A 46 64.791 60.363 92.841 1.00 33.67 C ATOM 316 NE2 HIS A 46 64.588 59.845 94.041 1.00 30.88 N ATOM 317 N ASN A 47 69.764 56.303 91.849 1.00 33.41 N ATOM 318 CA ASN A 47 70.620 55.243 91.318 1.00 39.52 C ATOM 319 C ASN A 47 72.075 55.538 91.690 1.00 38.46 C ATOM 320 O ASN A 47 72.708 56.417 91.100 1.00 41.43 O ATOM 321 CB ASN A 47 70.446 55.131 89.810 1.00 39.00 C ATOM 322 CG ASN A 47 71.050 53.862 89.240 1.00 43.64 C ATOM 323 OD1 ASN A 47 72.052 53.352 89.740 1.00 45.43 O ATOM 324 ND2 ASN A 47 70.441 53.346 88.185 1.00 48.96 N ATOM 325 N LEU A 48 72.608 54.783 92.653 1.00 36.74 N ATOM 326 CA LEU A 48 73.971 55.003 93.134 1.00 43.11 C ATOM 327 C LEU A 48 75.052 54.685 92.110 1.00 45.44 C ATOM 328 O LEU A 48 76.224 54.888 92.427 1.00 44.37 O ATOM 329 CB LEU A 48 74.231 54.185 94.392 1.00 35.24 C ATOM 330 CG LEU A 48 73.391 54.654 95.564 1.00 39.14 C ATOM 331 CD1 LEU A 48 73.777 53.913 96.824 1.00 42.39 C ATOM 332 CD2 LEU A 48 73.529 56.162 95.732 1.00 37.02 C ATOM 333 N ASP A 49 74.718 54.211 90.909 1.00 42.74 N ATOM 334 CA ASP A 49 75.749 54.011 89.897 1.00 48.76 C ATOM 335 C ASP A 49 76.307 55.325 89.376 1.00 50.31 C ATOM 336 O ASP A 49 77.394 55.333 88.788 1.00 52.05 O ATOM 337 CB ASP A 49 75.199 53.184 88.735 1.00 53.45 C ATOM 338 CG ASP A 49 74.898 51.758 89.135 1.00 56.47 C ATOM 339 OD1 ASP A 49 75.703 51.177 89.897 1.00 60.61 O ATOM 340 OD2 ASP A 49 73.856 51.223 88.696 1.00 64.56 O ATOM 341 N GLU A 50 75.581 56.430 89.561 1.00 45.49 N ATOM 342 CA GLU A 50 76.114 57.742 89.226 1.00 45.16 C ATOM 343 C GLU A 50 77.082 58.259 90.280 1.00 42.50 C ATOM 344 O GLU A 50 77.793 59.234 90.022 1.00 40.84 O ATOM 345 CB GLU A 50 74.977 58.752 89.057 1.00 48.40 C ATOM 346 CG GLU A 50 73.873 58.318 88.099 1.00 53.96 C ATOM 347 CD GLU A 50 72.585 59.095 88.323 1.00 61.44 C ATOM 348 OE1 GLU A 50 71.518 58.452 88.438 1.00 56.16 O ATOM 349 OE2 GLU A 50 72.640 60.346 88.403 1.00 60.63 O ATOM 350 N ALA A 51 77.111 57.646 91.460 1.00 32.80 N ATOM 351 CA ALA A 51 77.999 58.098 92.519 1.00 33.01 C ATOM 352 C ALA A 51 79.444 57.716 92.209 1.00 38.02 C ATOM 353 O ALA A 51 79.714 56.641 91.675 1.00 35.93 O ATOM 354 CB ALA A 51 77.565 57.500 93.858 1.00 29.24 C ATOM 355 N VAL A 52 80.380 58.621 92.514 1.00 34.18 N ATOM 356 CA VAL A 52 81.794 58.279 92.397 1.00 31.82 C ATOM 357 C VAL A 52 82.109 57.127 93.341 1.00 33.39 C ATOM 358 O VAL A 52 81.604 57.071 94.474 1.00 31.62 O ATOM 359 CB VAL A 52 82.673 59.507 92.700 1.00 36.64 C ATOM 360 CG1 VAL A 52 84.150 59.124 92.777 1.00 34.64 C ATOM 361 CG2 VAL A 52 82.468 60.591 91.646 1.00 30.35 C ATOM 362 N LYS A 53 82.907 56.173 92.858 1.00 31.38 N ATOM 363 CA LYS A 53 83.486 55.118 93.688 1.00 35.66 C ATOM 364 C LYS A 53 84.933 55.461 94.005 1.00 30.31 C ATOM 365 O LYS A 53 85.686 55.853 93.111 1.00 36.53 O ATOM 366 CB LYS A 53 83.420 53.752 92.998 1.00 33.47 C ATOM 367 CG LYS A 53 82.258 52.893 93.468 1.00 34.20 C ATOM 368 CD LYS A 53 80.918 53.508 93.082 1.00 39.82 C ATOM 369 CE LYS A 53 80.633 53.283 91.601 1.00 45.87 C ATOM 370 NZ LYS A 53 79.451 54.055 91.127 1.00 43.33 N ATOM 371 N PHE A 54 85.314 55.319 95.275 1.00 28.20 N ATOM 372 CA PHE A 54 86.632 55.706 95.759 1.00 27.66 C ATOM 373 C PHE A 54 87.423 54.488 96.219 1.00 30.71 C ATOM 374 O PHE A 54 86.851 53.513 96.714 1.00 27.00 O ATOM 375 CB PHE A 54 86.525 56.689 96.933 1.00 27.52 C ATOM 376 CG PHE A 54 85.982 58.047 96.554 1.00 27.12 C ATOM 377 CD1 PHE A 54 86.807 59.016 96.008 1.00 27.07 C ATOM 378 CD2 PHE A 54 84.648 58.350 96.755 1.00 31.87 C ATOM 379 CE1 PHE A 54 86.316 60.271 95.679 1.00 29.96 C ATOM 380 CE2 PHE A 54 84.147 59.612 96.423 1.00 28.26 C ATOM 381 CZ PHE A 54 84.979 60.560 95.883 1.00 27.20 C ATOM 382 N ASP A 55 88.748 54.563 96.064 1.00 30.90 N ATOM 383 CA ASP A 55 89.696 53.761 96.835 1.00 31.09 C ATOM 384 C ASP A 55 90.408 54.640 97.861 1.00 31.05 C ATOM 385 O ASP A 55 90.642 55.829 97.623 1.00 28.31 O ATOM 386 CB ASP A 55 90.779 53.119 95.962 1.00 32.66 C ATOM 387 CG ASP A 55 90.228 52.414 94.749 1.00 33.32 C ATOM 388 OD1 ASP A 55 89.083 51.907 94.797 1.00 35.78 O ATOM 389 OD2 ASP A 55 90.970 52.364 93.745 1.00 39.13 O ATOM 390 N MET A 56 90.796 54.031 98.981 1.00 27.31 N ATOM 391 CA MET A 56 91.471 54.711 100.082 1.00 23.97 C ATOM 392 C MET A 56 92.813 54.039 100.366 1.00 28.94 C ATOM 393 O MET A 56 92.863 52.850 100.702 1.00 26.36 O ATOM 394 CB MET A 56 90.583 54.694 101.322 1.00 27.45 C ATOM 395 CG MET A 56 91.247 55.185 102.593 1.00 27.13 C ATOM 396 SD MET A 56 90.187 54.899 104.015 1.00 36.39 S ATOM 397 CE MET A 56 88.927 56.114 103.662 1.00 25.05 C ATOM 398 N GLY A 57 93.898 54.793 100.220 1.00 27.20 N ATOM 399 CA GLY A 57 95.239 54.294 100.490 1.00 29.95 C ATOM 400 C GLY A 57 95.743 54.865 101.802 1.00 26.31 C ATOM 401 O GLY A 57 95.661 56.066 102.030 1.00 30.17 O ATOM 402 N ALA A 58 96.267 53.991 102.659 1.00 26.32 N ATOM 403 CA ALA A 58 96.783 54.419 103.950 1.00 24.58 C ATOM 404 C ALA A 58 98.259 54.771 103.850 1.00 28.33 C ATOM 405 O ALA A 58 99.019 54.115 103.132 1.00 27.76 O ATOM 406 CB ALA A 58 96.590 53.332 105.007 1.00 27.44 C ATOM 407 N TYR A 59 98.656 55.806 104.591 1.00 25.55 N ATOM 408 CA TYR A 59 100.042 56.236 104.711 1.00 26.64 C ATOM 409 C TYR A 59 100.448 56.214 106.176 1.00 25.52 C ATOM 410 O TYR A 59 99.631 56.489 107.063 1.00 23.63 O ATOM 411 CB TYR A 59 100.236 57.654 104.121 1.00 24.17 C ATOM 412 CG TYR A 59 100.210 57.670 102.601 1.00 24.76 C ATOM 413 CD1 TYR A 59 99.029 57.430 101.896 1.00 26.62 C ATOM 414 CD2 TYR A 59 101.362 57.928 101.868 1.00 28.45 C ATOM 415 CE1 TYR A 59 99.013 57.436 100.507 1.00 26.25 C ATOM 416 CE2 TYR A 59 101.352 57.930 100.484 1.00 25.51 C ATOM 417 CZ TYR A 59 100.179 57.694 99.808 1.00 28.67 C ATOM 418 OH TYR A 59 100.184 57.704 98.427 1.00 30.02 O ATOM 419 N LYS A 60 101.691 55.832 106.433 1.00 21.83 N ATOM 420 CA LYS A 60 102.285 56.071 107.739 1.00 25.75 C ATOM 421 C LYS A 60 102.954 57.430 107.726 1.00 26.63 C ATOM 422 O LYS A 60 103.359 57.935 106.673 1.00 24.94 O ATOM 423 CB LYS A 60 103.322 55.004 108.108 1.00 27.41 C ATOM 424 CG LYS A 60 104.608 55.094 107.329 1.00 28.09 C ATOM 425 CD LYS A 60 105.654 54.075 107.816 1.00 27.95 C ATOM 426 CE LYS A 60 106.345 54.521 109.106 1.00 27.17 C ATOM 427 NZ LYS A 60 107.245 55.699 108.927 1.00 36.94 N ATOM 428 N SER A 61 103.037 58.030 108.904 1.00 27.20 N ATOM 429 CA SER A 61 103.781 59.256 109.134 1.00 22.87 C ATOM 430 C SER A 61 105.141 58.915 109.734 1.00 27.32 C ATOM 431 O SER A 61 105.335 57.834 110.288 1.00 25.74 O ATOM 432 CB SER A 61 103.006 60.171 110.081 1.00 25.62 C ATOM 433 OG SER A 61 103.719 61.356 110.327 1.00 25.92 O ATOM 434 N SER A 62 106.087 59.847 109.615 1.00 28.05 N ATOM 435 CA SER A 62 107.377 59.684 110.283 1.00 33.04 C ATOM 436 C SER A 62 107.333 60.083 111.748 1.00 31.66 C ATOM 437 O SER A 62 108.337 59.921 112.452 1.00 28.48 O ATOM 438 CB SER A 62 108.456 60.503 109.585 1.00 26.87 C ATOM 439 OG SER A 62 108.013 61.835 109.392 1.00 29.71 O ATOM 440 N LYS A 63 106.209 60.605 112.216 1.00 29.82 N ATOM 441 CA LYS A 63 106.015 60.945 113.614 1.00 30.95 C ATOM 442 C LYS A 63 104.707 60.322 114.086 1.00 29.99 C ATOM 443 O LYS A 63 103.906 59.830 113.292 1.00 27.32 O ATOM 444 CB LYS A 63 106.010 62.467 113.823 1.00 30.35 C ATOM 445 CG LYS A 63 104.821 63.187 113.185 1.00 36.43 C ATOM 446 CD LYS A 63 104.892 64.702 113.413 1.00 44.27 C ATOM 447 CE LYS A 63 103.587 65.418 113.046 1.00 35.88 C ATOM 448 NZ LYS A 63 102.427 64.792 113.744 1.00 38.63 N ATOM 449 N ASP A 64 104.489 60.357 115.398 1.00 25.93 N ATOM 450 CA ASP A 64 103.332 59.721 116.022 1.00 30.10 C ATOM 451 C ASP A 64 102.073 60.587 115.854 1.00 30.62 C ATOM 452 O ASP A 64 101.529 61.146 116.809 1.00 28.80 O ATOM 453 CB ASP A 64 103.646 59.466 117.486 1.00 27.79 C ATOM 454 CG ASP A 64 102.851 58.327 118.061 1.00 35.79 C ATOM 455 OD1 ASP A 64 101.916 57.823 117.391 1.00 31.83 O ATOM 456 OD2 ASP A 64 103.182 57.917 119.188 1.00 41.72 O ATOM 457 N ASP A 65 101.611 60.684 114.600 1.00 28.00 N ATOM 458 CA ASP A 65 100.339 61.340 114.281 1.00 28.79 C ATOM 459 C ASP A 65 99.195 60.773 115.118 1.00 28.85 C ATOM 460 O ASP A 65 99.181 59.588 115.456 1.00 28.74 O ATOM 461 CB ASP A 65 100.003 61.144 112.804 1.00 25.89 C ATOM 462 CG ASP A 65 100.820 62.028 111.886 1.00 35.65 C ATOM 463 OD1 ASP A 65 101.831 62.637 112.328 1.00 34.56 O ATOM 464 OD2 ASP A 65 100.441 62.105 110.702 1.00 33.16 O ATOM 465 N ALA A 66 98.192 61.611 115.416 1.00 22.61 N ATOM 466 CA ALA A 66 97.047 61.121 116.192 1.00 24.25 C ATOM 467 C ALA A 66 96.070 60.308 115.345 1.00 23.48 C ATOM 468 O ALA A 66 95.497 59.322 115.825 1.00 25.57 O ATOM 469 CB ALA A 66 96.301 62.279 116.851 1.00 23.98 C ATOM 470 N LYS A 67 95.849 60.701 114.096 1.00 24.61 N ATOM 471 CA LYS A 67 94.857 60.046 113.252 1.00 28.42 C ATOM 472 C LYS A 67 95.502 59.503 111.985 1.00 24.04 C ATOM 473 O LYS A 67 96.451 60.090 111.448 1.00 23.10 O ATOM 474 CB LYS A 67 93.715 61.028 112.883 1.00 29.48 C ATOM 475 CG LYS A 67 93.049 61.674 114.092 1.00 28.87 C ATOM 476 CD LYS A 67 91.868 60.849 114.542 1.00 39.08 C ATOM 477 CE LYS A 67 91.922 60.521 116.021 1.00 43.64 C ATOM 478 NZ LYS A 67 91.087 59.297 116.285 1.00 43.69 N ATOM 479 N ILE A 68 94.957 58.387 111.493 1.00 21.15 N ATOM 480 CA ILE A 68 95.534 57.753 110.319 1.00 23.29 C ATOM 481 C ILE A 68 95.382 58.682 109.127 1.00 25.01 C ATOM 482 O ILE A 68 94.443 59.476 109.049 1.00 22.94 O ATOM 483 CB ILE A 68 94.883 56.385 110.048 1.00 20.96 C ATOM 484 CG1 ILE A 68 95.681 55.603 109.001 1.00 20.06 C ATOM 485 CG2 ILE A 68 93.421 56.570 109.613 1.00 20.77 C ATOM 486 CD1 ILE A 68 95.197 54.154 108.831 1.00 26.54 C ATOM 487 N THR A 69 96.337 58.605 108.203 1.00 24.85 N ATOM 488 CA THR A 69 96.376 59.447 107.022 1.00 23.88 C ATOM 489 C THR A 69 96.059 58.610 105.801 1.00 28.51 C ATOM 490 O THR A 69 96.603 57.511 105.648 1.00 25.82 O ATOM 491 CB THR A 69 97.757 60.073 106.845 1.00 30.18 C ATOM 492 OG1 THR A 69 98.019 60.937 107.951 1.00 31.76 O ATOM 493 CG2 THR A 69 97.780 60.880 105.576 1.00 28.14 C ATOM 494 N VAL A 70 95.211 59.141 104.917 1.00 25.28 N ATOM 495 CA VAL A 70 94.797 58.407 103.732 1.00 24.96 C ATOM 496 C VAL A 70 94.881 59.303 102.509 1.00 22.11 C ATOM 497 O VAL A 70 94.860 60.532 102.602 1.00 23.66 O ATOM 498 CB VAL A 70 93.368 57.836 103.862 1.00 24.76 C ATOM 499 CG1 VAL A 70 93.261 56.913 105.070 1.00 24.48 C ATOM 500 CG2 VAL A 70 92.342 58.977 103.941 1.00 24.31 C ATOM 501 N ILE A 71 95.003 58.657 101.355 1.00 23.52 N ATOM 502 CA ILE A 71 94.819 59.275 100.054 1.00 27.29 C ATOM 503 C ILE A 71 93.533 58.709 99.459 1.00 29.90 C ATOM 504 O ILE A 71 93.162 57.556 99.718 1.00 29.97 O ATOM 505 CB ILE A 71 96.036 59.014 99.151 1.00 28.80 C ATOM 506 CG1 ILE A 71 96.082 59.997 97.989 1.00 24.51 C ATOM 507 CG2 ILE A 71 96.045 57.569 98.650 1.00 29.81 C ATOM 508 CD1 ILE A 71 97.368 59.858 97.193 1.00 28.24 C ATOM 509 N LEU A 72 92.821 59.540 98.703 1.00 26.30 N ATOM 510 CA LEU A 72 91.560 59.141 98.090 1.00 24.74 C ATOM 511 C LEU A 72 91.714 59.171 96.583 1.00 27.89 C ATOM 512 O LEU A 72 92.103 60.198 96.015 1.00 30.52 O ATOM 513 CB LEU A 72 90.403 60.056 98.507 1.00 27.49 C ATOM 514 CG LEU A 72 90.060 60.095 99.996 1.00 27.67 C ATOM 515 CD1 LEU A 72 89.072 61.199 100.257 1.00 25.24 C ATOM 516 CD2 LEU A 72 89.506 58.760 100.471 1.00 27.25 C ATOM 517 N ARG A 73 91.400 58.053 95.947 1.00 30.50 N ATOM 518 CA ARG A 73 91.477 57.902 94.506 1.00 31.26 C ATOM 519 C ARG A 73 90.102 57.531 93.974 1.00 29.03 C ATOM 520 O ARG A 73 89.362 56.782 94.616 1.00 30.69 O ATOM 521 CB ARG A 73 92.499 56.825 94.139 1.00 29.92 C ATOM 522 CG ARG A 73 92.640 56.538 92.663 1.00 36.86 C ATOM 523 CD ARG A 73 93.761 55.520 92.454 1.00 35.38 C ATOM 524 NE ARG A 73 93.399 54.212 92.976 1.00 35.46 N ATOM 525 CZ ARG A 73 94.259 53.215 93.142 1.00 38.16 C ATOM 526 NH1 ARG A 73 95.542 53.383 92.830 1.00 36.40 N ATOM 527 NH2 ARG A 73 93.837 52.058 93.623 1.00 34.15 N ATOM 528 N ILE A 74 89.757 58.057 92.803 1.00 29.44 N ATOM 529 CA ILE A 74 88.561 57.574 92.125 1.00 35.23 C ATOM 530 C ILE A 74 88.867 56.198 91.556 1.00 36.55 C ATOM 531 O ILE A 74 89.833 56.029 90.801 1.00 35.75 O ATOM 532 CB ILE A 74 88.108 58.544 91.034 1.00 36.53 C ATOM 533 CG1 ILE A 74 87.781 59.904 91.653 1.00 34.57 C ATOM 534 CG2 ILE A 74 86.911 57.958 90.279 1.00 38.98 C ATOM 535 CD1 ILE A 74 87.197 60.881 90.663 1.00 40.25 C ATOM 536 N SER A 75 88.051 55.214 91.927 1.00 33.46 N ATOM 537 CA SER A 75 88.342 53.824 91.602 1.00 40.29 C ATOM 538 C SER A 75 88.515 53.627 90.106 1.00 44.87 C ATOM 539 O SER A 75 87.852 54.279 89.298 1.00 39.97 O ATOM 540 CB SER A 75 87.227 52.925 92.115 1.00 33.97 C ATOM 541 OG SER A 75 87.292 52.841 93.522 1.00 37.76 O ATOM 542 N LYS A 76 89.445 52.736 89.746 1.00 42.97 N ATOM 543 CA LYS A 76 89.723 52.386 88.354 1.00 41.28 C ATOM 544 C LYS A 76 90.175 53.588 87.535 1.00 44.89 C ATOM 545 O LYS A 76 89.977 53.624 86.317 1.00 55.58 O ATOM 546 CB LYS A 76 88.506 51.728 87.696 1.00 47.06 C ATOM 547 CG LYS A 76 88.098 50.411 88.329 1.00 48.96 C ATOM 548 CD LYS A 76 86.739 49.964 87.816 1.00 54.89 C ATOM 549 CE LYS A 76 86.417 48.549 88.260 1.00 59.12 C ATOM 550 NZ LYS A 76 85.054 48.152 87.806 1.00 68.73 N ATOM 551 N THR A 77 90.769 54.591 88.180 1.00 41.23 N ATOM 552 CA THR A 77 91.372 55.706 87.457 1.00 40.19 C ATOM 553 C THR A 77 92.732 56.006 88.075 1.00 44.90 C ATOM 554 O THR A 77 93.219 55.288 88.953 1.00 43.91 O ATOM 555 CB THR A 77 90.523 56.984 87.495 1.00 45.80 C ATOM 556 OG1 THR A 77 90.719 57.626 88.763 1.00 44.66 O ATOM 557 CG2 THR A 77 89.032 56.696 87.261 1.00 42.10 C ATOM 558 N GLN A 78 93.331 57.102 87.626 1.00 41.69 N ATOM 559 CA GLN A 78 94.572 57.621 88.184 1.00 50.57 C ATOM 560 C GLN A 78 94.351 59.003 88.781 1.00 38.64 C ATOM 561 O GLN A 78 95.276 59.812 88.861 1.00 43.13 O ATOM 562 CB GLN A 78 95.668 57.667 87.125 1.00 51.76 C ATOM 563 CG GLN A 78 96.184 56.320 86.686 1.00 50.22 C ATOM 564 CD GLN A 78 97.228 56.458 85.594 1.00 64.41 C ATOM 565 OE1 GLN A 78 98.145 55.641 85.481 1.00 63.65 O ATOM 566 NE2 GLN A 78 97.097 57.508 84.783 1.00 63.34 N ATOM 567 N LEU A 79 93.122 59.275 89.198 1.00 40.09 N ATOM 568 CA LEU A 79 92.713 60.586 89.677 1.00 38.52 C ATOM 569 C LEU A 79 92.667 60.582 91.198 1.00 33.70 C ATOM 570 O LEU A 79 91.928 59.793 91.795 1.00 32.99 O ATOM 571 CB LEU A 79 91.346 60.947 89.106 1.00 42.97 C ATOM 572 CG LEU A 79 91.334 61.207 87.607 1.00 43.92 C ATOM 573 CD1 LEU A 79 89.900 61.358 87.146 1.00 49.51 C ATOM 574 CD2 LEU A 79 92.118 62.468 87.315 1.00 40.74 C ATOM 575 N TYR A 80 93.441 61.470 91.815 1.00 30.89 N ATOM 576 CA TYR A 80 93.512 61.589 93.264 1.00 31.70 C ATOM 577 C TYR A 80 92.898 62.908 93.717 1.00 30.06 C ATOM 578 O TYR A 80 93.049 63.931 93.045 1.00 36.95 O ATOM 579 CB TYR A 80 94.964 61.466 93.737 1.00 31.04 C ATOM 580 CG TYR A 80 95.539 60.104 93.405 1.00 31.94 C ATOM 581 CD1 TYR A 80 96.094 59.851 92.163 1.00 33.23 C ATOM 582 CD2 TYR A 80 95.476 59.063 94.318 1.00 30.49 C ATOM 583 CE1 TYR A 80 96.601 58.606 91.843 1.00 36.04 C ATOM 584 CE2 TYR A 80 95.981 57.808 94.011 1.00 34.89 C ATOM 585 CZ TYR A 80 96.541 57.587 92.771 1.00 38.63 C ATOM 586 OH TYR A 80 97.047 56.349 92.459 1.00 38.45 O ATOM 587 N VAL A 81 92.191 62.870 94.848 1.00 27.42 N ATOM 588 CA VAL A 81 91.591 64.072 95.422 1.00 30.97 C ATOM 589 C VAL A 81 92.676 64.930 96.053 1.00 29.99 C ATOM 590 O VAL A 81 93.498 64.434 96.831 1.00 33.70 O ATOM 591 CB VAL A 81 90.528 63.701 96.464 1.00 25.46 C ATOM 592 CG1 VAL A 81 90.031 64.957 97.171 1.00 27.17 C ATOM 593 CG2 VAL A 81 89.389 62.934 95.817 1.00 24.71 C ATOM 594 N THR A 82 92.660 66.229 95.753 1.00 30.19 N ATOM 595 CA THR A 82 93.692 67.161 96.188 1.00 28.48 C ATOM 596 C THR A 82 93.048 68.389 96.810 1.00 30.67 C ATOM 597 O THR A 82 92.155 68.992 96.212 1.00 32.64 O ATOM 598 CB THR A 82 94.569 67.586 95.003 1.00 34.79 C ATOM 599 OG1 THR A 82 95.269 66.442 94.504 1.00 44.52 O ATOM 600 CG2 THR A 82 95.583 68.636 95.428 1.00 45.47 C ATOM 601 N ALA A 83 93.511 68.777 97.992 1.00 31.34 N ATOM 602 CA ALA A 83 92.986 69.969 98.633 1.00 31.85 C ATOM 603 C ALA A 83 93.606 71.225 98.032 1.00 35.10 C ATOM 604 O ALA A 83 94.735 71.210 97.537 1.00 32.22 O ATOM 605 CB ALA A 83 93.258 69.934 100.135 1.00 32.35 C ATOM 606 N GLN A 84 92.838 72.304 98.046 1.00 33.36 N ATOM 607 CA GLN A 84 93.342 73.648 97.782 1.00 35.68 C ATOM 608 C GLN A 84 93.303 74.428 99.098 1.00 35.80 C ATOM 609 O GLN A 84 93.767 73.894 100.110 1.00 33.58 O ATOM 610 CB GLN A 84 92.552 74.281 96.644 1.00 36.52 C ATOM 611 CG GLN A 84 92.512 73.470 95.356 1.00 32.59 C ATOM 612 CD GLN A 84 92.088 74.318 94.173 1.00 38.56 C ATOM 613 OE1 GLN A 84 92.893 75.061 93.613 1.00 43.27 O ATOM 614 NE2 GLN A 84 90.819 74.226 93.796 1.00 34.58 N ATOM 615 N ASP A 85 92.761 75.641 99.139 1.00 39.77 N ATOM 616 CA ASP A 85 92.647 76.398 100.375 1.00 38.45 C ATOM 617 C ASP A 85 91.184 76.467 100.800 1.00 38.01 C ATOM 618 O ASP A 85 90.312 75.831 100.192 1.00 35.04 O ATOM 619 CB ASP A 85 93.267 77.786 100.200 1.00 41.02 C ATOM 620 CG ASP A 85 94.753 77.716 99.898 1.00 46.99 C ATOM 621 OD1 ASP A 85 95.338 76.621 100.070 1.00 49.00 O ATOM 622 OD2 ASP A 85 95.336 78.741 99.483 1.00 51.41 O ATOM 623 N GLU A 86 90.912 77.261 101.840 1.00 31.12 N ATOM 624 CA GLU A 86 89.571 77.295 102.409 1.00 37.92 C ATOM 625 C GLU A 86 88.542 77.751 101.384 1.00 39.95 C ATOM 626 O GLU A 86 88.783 78.668 100.593 1.00 37.81 O ATOM 627 CB GLU A 86 89.520 78.210 103.632 1.00 39.52 C ATOM 628 CG GLU A 86 88.232 78.085 104.430 1.00 37.67 C ATOM 629 CD GLU A 86 88.327 78.747 105.795 1.00 45.27 C ATOM 630 OE1 GLU A 86 89.326 79.455 106.033 1.00 49.27 O ATOM 631 OE2 GLU A 86 87.412 78.550 106.632 1.00 48.52 O ATOM 632 N ASP A 87 87.384 77.087 101.411 1.00 36.13 N ATOM 633 CA ASP A 87 86.247 77.360 100.523 1.00 41.76 C ATOM 634 C ASP A 87 86.616 77.269 99.039 1.00 42.25 C ATOM 635 O ASP A 87 85.948 77.852 98.189 1.00 45.43 O ATOM 636 CB ASP A 87 85.611 78.713 100.845 1.00 42.22 C ATOM 637 CG ASP A 87 85.110 78.792 102.282 1.00 43.36 C ATOM 638 OD1 ASP A 87 84.584 77.772 102.791 1.00 42.06 O ATOM 639 OD2 ASP A 87 85.253 79.869 102.909 1.00 49.95 O ATOM 640 N GLN A 88 87.664 76.515 98.702 1.00 36.41 N ATOM 641 CA GLN A 88 87.944 76.250 97.297 1.00 34.37 C ATOM 642 C GLN A 88 87.682 74.784 96.968 1.00 35.92 C ATOM 643 O GLN A 88 87.806 73.928 97.845 1.00 33.65 O ATOM 644 CB GLN A 88 89.393 76.600 96.968 1.00 33.40 C ATOM 645 CG GLN A 88 89.668 78.088 97.164 1.00 38.28 C ATOM 646 CD GLN A 88 91.098 78.445 96.925 1.00 40.07 C ATOM 647 OE1 GLN A 88 91.996 77.626 97.127 1.00 39.88 O ATOM 648 NE2 GLN A 88 91.333 79.677 96.494 1.00 42.72 N ATOM 649 N PRO A 89 87.308 74.460 95.729 1.00 35.79 N ATOM 650 CA PRO A 89 86.959 73.071 95.407 1.00 37.85 C ATOM 651 C PRO A 89 88.171 72.157 95.460 1.00 35.77 C ATOM 652 O PRO A 89 89.286 72.542 95.105 1.00 32.99 O ATOM 653 CB PRO A 89 86.410 73.158 93.978 1.00 35.33 C ATOM 654 CG PRO A 89 87.060 74.390 93.404 1.00 41.90 C ATOM 655 CD PRO A 89 87.188 75.349 94.558 1.00 40.15 C ATOM 656 N VAL A 90 87.945 70.922 95.905 1.00 33.29 N ATOM 657 CA VAL A 90 89.004 69.932 95.763 1.00 32.02 C ATOM 658 C VAL A 90 89.229 69.665 94.280 1.00 30.59 C ATOM 659 O VAL A 90 88.310 69.757 93.453 1.00 30.80 O ATOM 660 CB VAL A 90 88.695 68.639 96.536 1.00 30.60 C ATOM 661 CG1 VAL A 90 88.537 68.956 98.018 1.00 36.07 C ATOM 662 CG2 VAL A 90 87.441 67.959 96.003 1.00 28.91 C ATOM 663 N LEU A 91 90.472 69.383 93.938 1.00 31.45 N ATOM 664 CA LEU A 91 90.917 69.123 92.581 1.00 32.21 C ATOM 665 C LEU A 91 91.197 67.644 92.414 1.00 33.79 C ATOM 666 O LEU A 91 91.640 66.977 93.349 1.00 35.78 O ATOM 667 CB LEU A 91 92.199 69.897 92.271 1.00 30.90 C ATOM 668 CG LEU A 91 92.118 71.286 91.664 1.00 42.43 C ATOM 669 CD1 LEU A 91 93.530 71.874 91.607 1.00 43.09 C ATOM 670 CD2 LEU A 91 91.504 71.196 90.277 1.00 44.95 C ATOM 671 N LEU A 92 90.940 67.140 91.214 1.00 34.52 N ATOM 672 CA LEU A 92 91.312 65.785 90.848 1.00 36.04 C ATOM 673 C LEU A 92 92.655 65.852 90.139 1.00 36.46 C ATOM 674 O LEU A 92 92.773 66.487 89.085 1.00 37.67 O ATOM 675 CB LEU A 92 90.239 65.152 89.961 1.00 37.91 C ATOM 676 CG LEU A 92 88.909 64.974 90.697 1.00 35.35 C ATOM 677 CD1 LEU A 92 87.794 64.518 89.772 1.00 41.71 C ATOM 678 CD2 LEU A 92 89.094 63.989 91.830 1.00 31.83 C ATOM 679 N LYS A 93 93.671 65.233 90.735 1.00 36.54 N ATOM 680 CA LYS A 93 95.043 65.304 90.246 1.00 37.38 C ATOM 681 C LYS A 93 95.409 63.967 89.625 1.00 38.47 C ATOM 682 O LYS A 93 95.231 62.921 90.253 1.00 33.25 O ATOM 683 CB LYS A 93 96.018 65.648 91.377 1.00 40.06 C ATOM 684 CG LYS A 93 97.475 65.877 90.947 1.00 37.61 C ATOM 685 CD LYS A 93 98.327 66.214 92.159 1.00 37.66 C ATOM 686 CE LYS A 93 99.648 66.875 91.789 1.00 47.68 C ATOM 687 NZ LYS A 93 100.310 66.238 90.622 1.00 45.86 N ATOM 688 N GLU A 94 95.913 64.008 88.396 1.00 37.97 N ATOM 689 CA GLU A 94 96.221 62.811 87.630 1.00 44.28 C ATOM 690 C GLU A 94 97.656 62.380 87.904 1.00 44.23 C ATOM 691 O GLU A 94 98.579 63.193 87.820 1.00 45.74 O ATOM 692 CB GLU A 94 96.021 63.067 86.135 1.00 45.04 C ATOM 693 CG GLU A 94 96.646 62.009 85.241 1.00 52.49 C ATOM 694 CD GLU A 94 95.671 60.925 84.836 1.00 57.49 C ATOM 695 OE1 GLU A 94 94.485 61.250 84.604 1.00 62.42 O ATOM 696 OE2 GLU A 94 96.091 59.746 84.744 1.00 62.32 O ATOM 697 N MET A 95 97.844 61.098 88.221 1.00 40.79 N ATOM 698 CA MET A 95 99.158 60.610 88.585 1.00 45.42 C ATOM 699 C MET A 95 99.387 59.196 88.058 1.00 48.67 C ATOM 700 O MET A 95 98.519 58.314 88.244 1.00 49.95 O ATOM 701 CB MET A 95 99.331 60.660 90.105 1.00 40.37 C ATOM 702 CG MET A 95 99.689 62.029 90.602 1.00 44.41 C ATOM 703 SD MET A 95 99.579 62.180 92.380 1.00 49.80 S ATOM 704 CE MET A 95 101.046 63.148 92.724 1.00 50.29 C ATOM 705 N PRO A 96 100.547 58.942 87.444 1.00 50.25 N ATOM 706 CA PRO A 96 100.782 57.617 86.838 1.00 48.46 C ATOM 707 C PRO A 96 100.691 56.476 87.831 1.00 49.74 C ATOM 708 O PRO A 96 100.164 55.405 87.502 1.00 52.61 O ATOM 709 CB PRO A 96 102.194 57.752 86.251 1.00 49.18 C ATOM 710 CG PRO A 96 102.832 58.855 87.046 1.00 52.60 C ATOM 711 CD PRO A 96 101.724 59.825 87.347 1.00 52.02 C ATOM 712 N GLU A 97 101.175 56.681 89.049 1.00 44.95 N ATOM 713 CA GLU A 97 101.067 55.677 90.093 1.00 48.40 C ATOM 714 C GLU A 97 100.742 56.369 91.407 1.00 42.18 C ATOM 715 O GLU A 97 100.810 57.596 91.524 1.00 50.58 O ATOM 716 CB GLU A 97 102.358 54.868 90.216 1.00 45.28 C ATOM 717 CG GLU A 97 103.565 55.739 90.458 1.00 55.67 C ATOM 718 CD GLU A 97 104.828 54.930 90.695 1.00 86.46 C ATOM 719 OE1 GLU A 97 105.176 54.096 89.828 1.00 93.73 O ATOM 720 OE2 GLU A 97 105.464 55.119 91.757 1.00 91.33 O ATOM 721 N ILE A 98 100.404 55.572 92.406 1.00 39.22 N ATOM 722 CA ILE A 98 100.112 56.146 93.722 1.00 41.67 C ATOM 723 C ILE A 98 101.418 56.636 94.350 1.00 39.34 C ATOM 724 O ILE A 98 102.449 55.943 94.262 1.00 38.41 O ATOM 725 CB ILE A 98 99.391 55.111 94.605 1.00 38.64 C ATOM 726 CG1 ILE A 98 98.766 55.772 95.838 1.00 35.34 C ATOM 727 CG2 ILE A 98 100.300 53.950 94.974 1.00 35.81 C ATOM 728 CD1 ILE A 98 97.545 55.004 96.381 1.00 33.19 C ATOM 729 N PRO A 99 101.457 57.838 94.919 1.00 34.16 N ATOM 730 CA PRO A 99 102.732 58.360 95.440 1.00 33.00 C ATOM 731 C PRO A 99 103.233 57.512 96.599 1.00 35.80 C ATOM 732 O PRO A 99 102.508 57.268 97.566 1.00 34.24 O ATOM 733 CB PRO A 99 102.379 59.784 95.889 1.00 36.73 C ATOM 734 CG PRO A 99 101.127 60.117 95.142 1.00 35.76 C ATOM 735 CD PRO A 99 100.377 58.834 94.993 1.00 33.35 C ATOM 736 N LYS A 100 104.480 57.045 96.482 1.00 36.22 N ATOM 737 CA LYS A 100 105.077 56.215 97.523 1.00 34.90 C ATOM 738 C LYS A 100 105.557 57.046 98.699 1.00 31.49 C ATOM 739 O LYS A 100 105.520 56.582 99.843 1.00 36.74 O ATOM 740 CB LYS A 100 106.247 55.403 96.958 1.00 38.45 C ATOM 741 CG LYS A 100 105.854 54.432 95.854 1.00 44.75 C ATOM 742 CD LYS A 100 104.568 53.715 96.223 1.00 48.06 C ATOM 743 CE LYS A 100 104.087 52.752 95.126 1.00 47.00 C ATOM 744 NZ LYS A 100 103.614 53.471 93.913 1.00 43.16 N ATOM 745 N THR A 101 106.001 58.262 98.438 1.00 31.03 N ATOM 746 CA THR A 101 106.552 59.144 99.454 1.00 34.78 C ATOM 747 C THR A 101 105.938 60.516 99.269 1.00 32.32 C ATOM 748 O THR A 101 105.839 61.003 98.144 1.00 42.40 O ATOM 749 CB THR A 101 108.082 59.232 99.340 1.00 34.62 C ATOM 750 OG1 THR A 101 108.648 57.940 99.593 1.00 42.21 O ATOM 751 CG2 THR A 101 108.643 60.250 100.332 1.00 41.33 C ATOM 752 N ILE A 102 105.503 61.128 100.365 1.00 33.85 N ATOM 753 CA ILE A 102 104.870 62.440 100.315 1.00 31.02 C ATOM 754 C ILE A 102 105.440 63.307 101.423 1.00 31.54 C ATOM 755 O ILE A 102 105.520 62.878 102.578 1.00 30.99 O ATOM 756 CB ILE A 102 103.340 62.349 100.444 1.00 30.36 C ATOM 757 CG1 ILE A 102 102.753 61.630 99.227 1.00 31.21 C ATOM 758 CG2 ILE A 102 102.734 63.766 100.616 1.00 32.61 C ATOM 759 CD1 ILE A 102 101.246 61.437 99.282 1.00 35.26 C ATOM 760 N THR A 103 105.839 64.524 101.070 1.00 30.32 N ATOM 761 CA THR A 103 106.324 65.491 102.039 1.00 29.26 C ATOM 762 C THR A 103 106.098 66.882 101.463 1.00 36.06 C ATOM 763 O THR A 103 105.787 67.042 100.279 1.00 36.27 O ATOM 764 CB THR A 103 107.800 65.245 102.361 1.00 39.71 C ATOM 765 OG1 THR A 103 108.155 65.979 103.539 1.00 46.32 O ATOM 766 CG2 THR A 103 108.682 65.676 101.185 1.00 36.54 C ATOM 767 N GLY A 104 106.241 67.889 102.320 1.00 37.32 N ATOM 768 CA GLY A 104 106.177 69.260 101.834 1.00 35.73 C ATOM 769 C GLY A 104 104.802 69.599 101.287 1.00 45.87 C ATOM 770 O GLY A 104 103.772 69.160 101.810 1.00 41.06 O ATOM 771 N SER A 105 104.785 70.386 100.205 1.00 41.10 N ATOM 772 CA SER A 105 103.534 70.851 99.611 1.00 40.67 C ATOM 773 C SER A 105 102.641 69.711 99.143 1.00 43.49 C ATOM 774 O SER A 105 101.427 69.907 99.004 1.00 42.10 O ATOM 775 CB SER A 105 103.826 71.764 98.426 1.00 48.45 C ATOM 776 OG SER A 105 104.441 71.026 97.383 1.00 50.73 O ATOM 777 N GLU A 106 103.204 68.533 98.889 1.00 38.53 N ATOM 778 CA GLU A 106 102.395 67.417 98.426 1.00 38.57 C ATOM 779 C GLU A 106 101.491 66.845 99.500 1.00 31.58 C ATOM 780 O GLU A 106 100.737 65.914 99.193 1.00 35.46 O ATOM 781 CB GLU A 106 103.281 66.296 97.876 1.00 48.20 C ATOM 782 CG GLU A 106 103.469 66.346 96.379 1.00 57.12 C ATOM 783 CD GLU A 106 104.462 67.408 95.955 1.00 75.21 C ATOM 784 OE1 GLU A 106 105.384 67.702 96.747 1.00 74.30 O ATOM 785 OE2 GLU A 106 104.320 67.947 94.834 1.00 83.60 O ATOM 786 N THR A 107 101.537 67.340 100.739 1.00 27.82 N ATOM 787 CA THR A 107 100.579 66.844 101.721 1.00 33.96 C ATOM 788 C THR A 107 99.148 67.279 101.426 1.00 33.15 C ATOM 789 O THR A 107 98.228 66.820 102.111 1.00 30.65 O ATOM 790 CB THR A 107 100.953 67.285 103.142 1.00 35.94 C ATOM 791 OG1 THR A 107 101.005 68.714 103.224 1.00 32.77 O ATOM 792 CG2 THR A 107 102.286 66.694 103.545 1.00 32.93 C ATOM 793 N ASN A 108 98.927 68.144 100.435 1.00 31.99 N ATOM 794 CA ASN A 108 97.554 68.451 100.066 1.00 34.57 C ATOM 795 C ASN A 108 96.852 67.257 99.427 1.00 29.74 C ATOM 796 O ASN A 108 95.627 67.287 99.278 1.00 30.82 O ATOM 797 CB ASN A 108 97.498 69.673 99.143 1.00 35.62 C ATOM 798 CG ASN A 108 98.230 69.462 97.828 1.00 38.13 C ATOM 799 OD1 ASN A 108 98.675 68.366 97.513 1.00 36.97 O ATOM 800 ND2 ASN A 108 98.360 70.533 97.052 1.00 49.65 N ATOM 801 N LEU A 109 97.591 66.204 99.079 1.00 29.56 N ATOM 802 CA LEU A 109 96.985 64.952 98.641 1.00 29.25 C ATOM 803 C LEU A 109 96.474 64.094 99.784 1.00 28.67 C ATOM 804 O LEU A 109 95.823 63.076 99.518 1.00 29.60 O ATOM 805 CB LEU A 109 97.990 64.116 97.838 1.00 31.14 C ATOM 806 CG LEU A 109 98.328 64.556 96.408 1.00 39.92 C ATOM 807 CD1 LEU A 109 99.715 64.063 96.003 1.00 36.02 C ATOM 808 CD2 LEU A 109 97.264 64.042 95.441 1.00 36.94 C ATOM 809 N LEU A 110 96.762 64.440 101.036 1.00 23.50 N ATOM 810 CA LEU A 110 96.524 63.511 102.135 1.00 23.51 C ATOM 811 C LEU A 110 95.506 64.062 103.118 1.00 28.50 C ATOM 812 O LEU A 110 95.415 65.279 103.331 1.00 26.55 O ATOM 813 CB LEU A 110 97.824 63.191 102.885 1.00 23.77 C ATOM 814 CG LEU A 110 98.909 62.474 102.086 1.00 27.47 C ATOM 815 CD1 LEU A 110 100.124 62.241 102.959 1.00 23.57 C ATOM 816 CD2 LEU A 110 98.388 61.150 101.522 1.00 24.91 C ATOM 817 N PHE A 111 94.755 63.146 103.738 1.00 22.36 N ATOM 818 CA PHE A 111 93.719 63.513 104.688 1.00 25.20 C ATOM 819 C PHE A 111 93.814 62.653 105.934 1.00 23.47 C ATOM 820 O PHE A 111 93.998 61.435 105.853 1.00 26.29 O ATOM 821 CB PHE A 111 92.307 63.373 104.046 1.00 21.12 C ATOM 822 CG PHE A 111 92.104 64.296 102.874 1.00 25.70 C ATOM 823 CD1 PHE A 111 92.502 63.925 101.599 1.00 22.40 C ATOM 824 CD2 PHE A 111 91.565 65.559 103.058 1.00 26.37 C ATOM 825 CE1 PHE A 111 92.332 64.783 100.523 1.00 24.75 C ATOM 826 CE2 PHE A 111 91.386 66.421 101.980 1.00 26.78 C ATOM 827 CZ PHE A 111 91.773 66.025 100.713 1.00 26.28 C ATOM 828 N PHE A 112 93.681 63.291 107.092 1.00 22.10 N ATOM 829 CA PHE A 112 93.397 62.542 108.304 1.00 23.67 C ATOM 830 C PHE A 112 91.959 62.040 108.242 1.00 27.16 C ATOM 831 O PHE A 112 91.032 62.819 108.016 1.00 27.37 O ATOM 832 CB PHE A 112 93.585 63.414 109.541 1.00 23.20 C ATOM 833 CG PHE A 112 94.990 63.930 109.721 1.00 28.35 C ATOM 834 CD1 PHE A 112 96.051 63.058 109.924 1.00 29.23 C ATOM 835 CD2 PHE A 112 95.239 65.282 109.723 1.00 23.79 C ATOM 836 CE1 PHE A 112 97.337 63.537 110.105 1.00 28.26 C ATOM 837 CE2 PHE A 112 96.539 65.782 109.899 1.00 26.36 C ATOM 838 CZ PHE A 112 97.576 64.923 110.088 1.00 23.06 C ATOM 839 N TRP A 113 91.775 60.750 108.440 1.00 24.46 N ATOM 840 CA TRP A 113 90.464 60.118 108.389 1.00 26.62 C ATOM 841 C TRP A 113 90.074 59.759 109.817 1.00 27.95 C ATOM 842 O TRP A 113 90.697 58.892 110.438 1.00 25.80 O ATOM 843 CB TRP A 113 90.495 58.897 107.475 1.00 23.28 C ATOM 844 CG TRP A 113 89.249 58.047 107.540 1.00 29.58 C ATOM 845 CD1 TRP A 113 87.962 58.484 107.601 1.00 27.41 C ATOM 846 CD2 TRP A 113 89.187 56.618 107.568 1.00 25.57 C ATOM 847 NE1 TRP A 113 87.099 57.422 107.660 1.00 25.22 N ATOM 848 CE2 TRP A 113 87.829 56.262 107.643 1.00 26.09 C ATOM 849 CE3 TRP A 113 90.152 55.605 107.551 1.00 27.64 C ATOM 850 CZ2 TRP A 113 87.406 54.937 107.688 1.00 27.65 C ATOM 851 CZ3 TRP A 113 89.730 54.287 107.592 1.00 25.63 C ATOM 852 CH2 TRP A 113 88.371 53.966 107.666 1.00 30.22 C ATOM 853 N GLU A 114 89.064 60.446 110.340 1.00 25.09 N ATOM 854 CA GLU A 114 88.533 60.219 111.678 1.00 36.41 C ATOM 855 C GLU A 114 87.094 59.730 111.571 1.00 37.50 C ATOM 856 O GLU A 114 86.371 60.116 110.648 1.00 31.29 O ATOM 857 CB GLU A 114 88.595 61.518 112.516 1.00 35.61 C ATOM 858 CG GLU A 114 87.703 61.512 113.765 1.00 47.85 C ATOM 859 CD GLU A 114 87.708 62.831 114.541 1.00 59.40 C ATOM 860 OE1 GLU A 114 88.353 62.875 115.617 1.00 57.04 O ATOM 861 OE2 GLU A 114 87.054 63.811 114.092 1.00 57.49 O ATOM 862 N THR A 115 86.683 58.865 112.513 1.00 43.68 N ATOM 863 CA THR A 115 85.287 58.450 112.669 1.00 42.73 C ATOM 864 C THR A 115 84.737 58.898 114.022 1.00 51.83 C ATOM 865 O THR A 115 85.431 58.823 115.041 1.00 55.02 O ATOM 866 CB THR A 115 85.118 56.937 112.567 1.00 45.79 C ATOM 867 OG1 THR A 115 85.810 56.316 113.659 1.00 52.68 O ATOM 868 CG2 THR A 115 85.654 56.394 111.236 1.00 39.82 C ATOM 869 N HIS A 116 83.488 59.366 114.028 1.00 43.44 N ATOM 870 CA HIS A 116 82.691 59.568 115.242 1.00 45.78 C ATOM 871 C HIS A 116 81.437 58.709 115.075 1.00 48.03 C ATOM 872 O HIS A 116 80.398 59.192 114.622 1.00 44.97 O ATOM 873 CB HIS A 116 82.302 61.062 115.482 1.00 44.86 C ATOM 874 CG HIS A 116 83.451 61.962 115.832 1.00 53.84 C ATOM 875 ND1 HIS A 116 84.136 61.874 117.025 1.00 51.34 N ATOM 876 CD2 HIS A 116 84.005 63.000 115.159 1.00 53.48 C ATOM 877 CE1 HIS A 116 85.078 62.800 117.061 1.00 50.27 C ATOM 878 NE2 HIS A 116 85.019 63.499 115.941 1.00 54.94 N ATOM 879 N GLY A 117 81.537 57.435 115.430 1.00 50.51 N ATOM 880 CA GLY A 117 80.424 56.534 115.226 1.00 46.19 C ATOM 881 C GLY A 117 80.358 56.080 113.783 1.00 50.75 C ATOM 882 O GLY A 117 81.310 55.492 113.265 1.00 51.84 O ATOM 883 N THR A 118 79.235 56.350 113.125 1.00 47.86 N ATOM 884 CA THR A 118 79.084 56.114 111.696 1.00 44.05 C ATOM 885 C THR A 118 79.515 57.321 110.867 1.00 37.77 C ATOM 886 O THR A 118 79.512 57.248 109.635 1.00 40.24 O ATOM 887 CB THR A 118 77.619 55.762 111.365 1.00 40.45 C ATOM 888 OG1 THR A 118 76.815 56.944 111.468 1.00 47.60 O ATOM 889 CG2 THR A 118 77.084 54.724 112.328 1.00 50.72 C ATOM 890 N LYS A 119 79.879 58.425 111.515 1.00 41.62 N ATOM 891 CA LYS A 119 80.263 59.647 110.826 1.00 37.78 C ATOM 892 C LYS A 119 81.751 59.622 110.489 1.00 33.65 C ATOM 893 O LYS A 119 82.580 59.349 111.358 1.00 35.02 O ATOM 894 CB LYS A 119 79.936 60.860 111.696 1.00 39.14 C ATOM 895 CG LYS A 119 78.480 60.963 112.088 1.00 40.91 C ATOM 896 CD LYS A 119 78.278 62.071 113.113 1.00 47.60 C ATOM 897 CE LYS A 119 76.799 62.326 113.341 1.00 64.32 C ATOM 898 NZ LYS A 119 76.563 63.210 114.518 1.00 70.10 N ATOM 899 N ASN A 120 82.084 59.920 109.233 1.00 33.77 N ATOM 900 CA ASN A 120 83.468 59.984 108.765 1.00 31.16 C ATOM 901 C ASN A 120 83.824 61.407 108.373 1.00 32.66 C ATOM 902 O ASN A 120 83.069 62.056 107.637 1.00 29.96 O ATOM 903 CB ASN A 120 83.678 59.058 107.572 1.00 29.99 C ATOM 904 CG ASN A 120 83.437 57.604 107.931 1.00 32.91 C ATOM 905 OD1 ASN A 120 84.368 56.889 108.290 1.00 31.90 O ATOM 906 ND2 ASN A 120 82.183 57.166 107.849 1.00 26.62 N ATOM 907 N TYR A 121 84.974 61.885 108.859 1.00 28.53 N ATOM 908 CA TYR A 121 85.489 63.210 108.547 1.00 28.37 C ATOM 909 C TYR A 121 86.879 63.085 107.940 1.00 29.72 C ATOM 910 O TYR A 121 87.684 62.257 108.375 1.00 27.02 O ATOM 911 CB TYR A 121 85.563 64.092 109.803 1.00 34.98 C ATOM 912 CG TYR A 121 84.261 64.249 110.538 1.00 35.17 C ATOM 913 CD1 TYR A 121 83.831 63.283 111.433 1.00 33.99 C ATOM 914 CD2 TYR A 121 83.461 65.378 110.350 1.00 40.48 C ATOM 915 CE1 TYR A 121 82.628 63.421 112.116 1.00 39.38 C ATOM 916 CE2 TYR A 121 82.257 65.526 111.027 1.00 41.73 C ATOM 917 CZ TYR A 121 81.848 64.539 111.915 1.00 42.13 C ATOM 918 OH TYR A 121 80.662 64.666 112.601 1.00 48.82 O ATOM 919 N PHE A 122 87.167 63.925 106.950 1.00 27.03 N ATOM 920 CA PHE A 122 88.451 63.924 106.252 1.00 27.05 C ATOM 921 C PHE A 122 89.036 65.321 106.356 1.00 27.98 C ATOM 922 O PHE A 122 88.520 66.252 105.736 1.00 27.46 O ATOM 923 CB PHE A 122 88.282 63.516 104.790 1.00 22.55 C ATOM 924 CG PHE A 122 87.726 62.134 104.617 1.00 26.87 C ATOM 925 CD1 PHE A 122 88.570 61.030 104.641 1.00 23.02 C ATOM 926 CD2 PHE A 122 86.374 61.930 104.439 1.00 25.88 C ATOM 927 CE1 PHE A 122 88.068 59.758 104.486 1.00 25.77 C ATOM 928 CE2 PHE A 122 85.866 60.642 104.287 1.00 26.54 C ATOM 929 CZ PHE A 122 86.714 59.570 104.303 1.00 26.95 C ATOM 930 N THR A 123 90.088 65.479 107.154 1.00 26.13 N ATOM 931 CA THR A 123 90.716 66.778 107.342 1.00 29.58 C ATOM 932 C THR A 123 92.025 66.815 106.576 1.00 27.89 C ATOM 933 O THR A 123 92.789 65.844 106.566 1.00 26.80 O ATOM 934 CB THR A 123 90.965 67.103 108.817 1.00 28.28 C ATOM 935 OG1 THR A 123 91.639 66.013 109.436 1.00 35.80 O ATOM 936 CG2 THR A 123 89.650 67.296 109.541 1.00 33.61 C ATOM 937 N SER A 124 92.256 67.938 105.918 1.00 24.01 N ATOM 938 CA SER A 124 93.439 68.100 105.101 1.00 29.18 C ATOM 939 C SER A 124 94.695 68.029 105.969 1.00 25.74 C ATOM 940 O SER A 124 94.785 68.684 107.007 1.00 27.29 O ATOM 941 CB SER A 124 93.351 69.447 104.379 1.00 23.81 C ATOM 942 OG SER A 124 94.555 69.702 103.695 1.00 28.50 O ATOM 943 N VAL A 125 95.666 67.224 105.557 1.00 23.71 N ATOM 944 CA VAL A 125 96.935 67.246 106.279 1.00 23.80 C ATOM 945 C VAL A 125 97.598 68.610 106.103 1.00 28.16 C ATOM 946 O VAL A 125 98.229 69.128 107.031 1.00 26.22 O ATOM 947 CB VAL A 125 97.838 66.084 105.824 1.00 26.41 C ATOM 948 CG1 VAL A 125 99.256 66.217 106.399 1.00 25.35 C ATOM 949 CG2 VAL A 125 97.207 64.725 106.213 1.00 22.90 C ATOM 950 N ALA A 126 97.419 69.236 104.937 1.00 29.45 N ATOM 951 CA ALA A 126 97.978 70.566 104.694 1.00 34.87 C ATOM 952 C ALA A 126 97.230 71.659 105.464 1.00 29.70 C ATOM 953 O ALA A 126 97.828 72.685 105.809 1.00 32.74 O ATOM 954 CB ALA A 126 97.973 70.863 103.190 1.00 31.90 C ATOM 955 N HIS A 127 95.939 71.458 105.746 1.00 29.27 N ATOM 956 CA HIS A 127 95.123 72.405 106.519 1.00 31.22 C ATOM 957 C HIS A 127 94.267 71.656 107.534 1.00 30.36 C ATOM 958 O HIS A 127 93.082 71.398 107.292 1.00 29.50 O ATOM 959 CB HIS A 127 94.197 73.224 105.617 1.00 33.34 C ATOM 960 CG HIS A 127 94.874 73.877 104.456 1.00 32.97 C ATOM 961 ND1 HIS A 127 95.600 75.042 104.576 1.00 38.11 N ATOM 962 CD2 HIS A 127 94.907 73.545 103.142 1.00 38.42 C ATOM 963 CE1 HIS A 127 96.060 75.396 103.388 1.00 39.92 C ATOM 964 NE2 HIS A 127 95.656 74.502 102.501 1.00 43.77 N ATOM 965 N PRO A 128 94.828 71.314 108.702 1.00 29.21 N ATOM 966 CA PRO A 128 94.162 70.335 109.586 1.00 26.70 C ATOM 967 C PRO A 128 92.862 70.800 110.218 1.00 31.81 C ATOM 968 O PRO A 128 92.197 69.981 110.859 1.00 30.08 O ATOM 969 CB PRO A 128 95.216 70.061 110.664 1.00 26.69 C ATOM 970 CG PRO A 128 96.501 70.479 110.056 1.00 28.50 C ATOM 971 CD PRO A 128 96.181 71.646 109.184 1.00 28.72 C ATOM 972 N ASN A 129 92.469 72.064 110.090 1.00 30.93 N ATOM 973 CA ASN A 129 91.170 72.482 110.592 1.00 30.94 C ATOM 974 C ASN A 129 90.160 72.649 109.464 1.00 34.34 C ATOM 975 O ASN A 129 89.102 73.239 109.678 1.00 32.88 O ATOM 976 CB ASN A 129 91.289 73.784 111.403 1.00 31.64 C ATOM 977 CG ASN A 129 90.092 74.015 112.351 1.00 40.82 C ATOM 978 OD1 ASN A 129 89.529 75.112 112.402 1.00 38.49 O ATOM 979 ND2 ASN A 129 89.706 72.980 113.093 1.00 34.15 N ATOM 980 N LEU A 130 90.471 72.152 108.272 1.00 28.23 N ATOM 981 CA LEU A 130 89.581 72.210 107.128 1.00 26.74 C ATOM 982 C LEU A 130 89.214 70.794 106.705 1.00 31.07 C ATOM 983 O LEU A 130 90.068 69.900 106.697 1.00 28.39 O ATOM 984 CB LEU A 130 90.235 72.966 105.972 1.00 27.62 C ATOM 985 CG LEU A 130 90.548 74.447 106.237 1.00 32.11 C ATOM 986 CD1 LEU A 130 91.118 75.107 105.008 1.00 29.90 C ATOM 987 CD2 LEU A 130 89.284 75.175 106.695 1.00 34.05 C ATOM 988 N PHE A 131 87.944 70.611 106.347 1.00 27.03 N ATOM 989 CA PHE A 131 87.342 69.324 106.041 1.00 25.50 C ATOM 990 C PHE A 131 86.944 69.254 104.578 1.00 28.30 C ATOM 991 O PHE A 131 86.560 70.259 103.975 1.00 28.79 O ATOM 992 CB PHE A 131 86.078 69.074 106.874 1.00 27.92 C ATOM 993 CG PHE A 131 86.310 69.076 108.349 1.00 37.50 C ATOM 994 CD1 PHE A 131 86.536 70.272 109.028 1.00 39.27 C ATOM 995 CD2 PHE A 131 86.285 67.888 109.071 1.00 35.10 C ATOM 996 CE1 PHE A 131 86.757 70.280 110.397 1.00 38.38 C ATOM 997 CE2 PHE A 131 86.486 67.894 110.443 1.00 38.53 C ATOM 998 CZ PHE A 131 86.732 69.091 111.102 1.00 43.39 C ATOM 999 N ILE A 132 87.003 68.047 104.014 1.00 26.70 N ATOM 1000 CA ILE A 132 86.247 67.799 102.795 1.00 27.39 C ATOM 1001 C ILE A 132 84.786 68.065 103.110 1.00 32.59 C ATOM 1002 O ILE A 132 84.249 67.565 104.106 1.00 32.08 O ATOM 1003 CB ILE A 132 86.477 66.370 102.283 1.00 24.04 C ATOM 1004 CG1 ILE A 132 87.948 66.157 101.965 1.00 25.45 C ATOM 1005 CG2 ILE A 132 85.681 66.134 101.033 1.00 24.35 C ATOM 1006 CD1 ILE A 132 88.259 64.767 101.374 1.00 25.78 C ATOM 1007 N ALA A 133 84.143 68.890 102.296 1.00 31.67 N ATOM 1008 CA ALA A 133 82.819 69.374 102.647 1.00 29.39 C ATOM 1009 C ALA A 133 81.978 69.539 101.394 1.00 28.83 C ATOM 1010 O ALA A 133 82.491 69.910 100.338 1.00 29.64 O ATOM 1011 CB ALA A 133 82.900 70.707 103.402 1.00 32.36 C ATOM 1012 N THR A 134 80.686 69.259 101.519 1.00 37.18 N ATOM 1013 CA THR A 134 79.722 69.556 100.474 1.00 34.74 C ATOM 1014 C THR A 134 78.942 70.805 100.860 1.00 39.19 C ATOM 1015 O THR A 134 78.631 71.014 102.035 1.00 36.72 O ATOM 1016 CB THR A 134 78.748 68.398 100.261 1.00 34.01 C ATOM 1017 OG1 THR A 134 77.831 68.348 101.358 1.00 37.25 O ATOM 1018 CG2 THR A 134 79.487 67.073 100.168 1.00 34.34 C ATOM 1019 N LYS A 135 78.629 71.634 99.870 1.00 40.86 N ATOM 1020 CA LYS A 135 77.811 72.813 100.107 1.00 47.75 C ATOM 1021 C LYS A 135 76.781 72.891 98.992 1.00 56.39 C ATOM 1022 O LYS A 135 77.125 72.697 97.821 1.00 48.35 O ATOM 1023 CB LYS A 135 78.666 74.086 100.158 1.00 50.82 C ATOM 1024 CG LYS A 135 78.073 75.203 101.022 1.00 56.92 C ATOM 1025 CD LYS A 135 78.723 76.547 100.739 1.00 61.22 C ATOM 1026 CE LYS A 135 78.800 76.794 99.236 1.00 65.15 C ATOM 1027 NZ LYS A 135 78.552 78.209 98.836 1.00 69.05 N ATOM 1028 N GLN A 136 75.529 73.175 99.356 1.00 59.70 N ATOM 1029 CA GLN A 136 74.449 73.155 98.378 1.00 64.55 C ATOM 1030 C GLN A 136 74.783 74.060 97.198 1.00 62.37 C ATOM 1031 O GLN A 136 75.292 75.172 97.368 1.00 63.09 O ATOM 1032 CB GLN A 136 73.124 73.579 99.027 1.00 68.57 C ATOM 1033 CG GLN A 136 72.966 75.076 99.299 1.00 78.48 C ATOM 1034 CD GLN A 136 71.558 75.572 98.997 1.00 90.06 C ATOM 1035 OE1 GLN A 136 70.636 74.775 98.797 1.00 91.67 O ATOM 1036 NE2 GLN A 136 71.387 76.892 98.954 1.00 83.22 N ATOM 1037 N ASP A 137 74.530 73.551 95.995 1.00 62.93 N ATOM 1038 CA ASP A 137 74.773 74.291 94.754 1.00 67.65 C ATOM 1039 C ASP A 137 76.226 74.767 94.668 1.00 67.90 C ATOM 1040 O ASP A 137 76.508 75.954 94.478 1.00 65.42 O ATOM 1041 CB ASP A 137 73.799 75.466 94.615 1.00 71.92 C ATOM 1042 CG ASP A 137 72.344 75.031 94.696 1.00 77.63 C ATOM 1043 OD1 ASP A 137 72.037 73.898 94.258 1.00 74.01 O ATOM 1044 OD2 ASP A 137 71.512 75.820 95.201 1.00 81.06 O ATOM 1045 N TYR A 138 77.154 73.825 94.826 1.00 58.36 N ATOM 1046 CA TYR A 138 78.575 74.135 94.718 1.00 53.89 C ATOM 1047 C TYR A 138 79.360 72.830 94.731 1.00 44.17 C ATOM 1048 O TYR A 138 78.836 71.766 95.069 1.00 42.85 O ATOM 1049 CB TYR A 138 79.042 75.065 95.840 1.00 49.90 C ATOM 1050 CG TYR A 138 80.233 75.896 95.443 1.00 61.50 C ATOM 1051 CD1 TYR A 138 80.188 76.714 94.318 1.00 61.68 C ATOM 1052 CD2 TYR A 138 81.405 75.865 96.186 1.00 62.72 C ATOM 1053 CE1 TYR A 138 81.279 77.480 93.945 1.00 65.63 C ATOM 1054 CE2 TYR A 138 82.503 76.629 95.822 1.00 67.59 C ATOM 1055 CZ TYR A 138 82.434 77.433 94.703 1.00 66.73 C ATOM 1056 OH TYR A 138 83.528 78.186 94.347 1.00 67.02 O ATOM 1057 N TRP A 139 80.628 72.930 94.360 1.00 41.88 N ATOM 1058 CA TRP A 139 81.508 71.774 94.327 1.00 42.12 C ATOM 1059 C TRP A 139 81.924 71.351 95.733 1.00 38.63 C ATOM 1060 O TRP A 139 81.839 72.114 96.699 1.00 38.13 O ATOM 1061 CB TRP A 139 82.754 72.089 93.507 1.00 40.83 C ATOM 1062 CG TRP A 139 82.446 72.556 92.125 1.00 48.69 C ATOM 1063 CD1 TRP A 139 81.806 71.853 91.139 1.00 41.65 C ATOM 1064 CD2 TRP A 139 82.772 73.824 91.567 1.00 45.56 C ATOM 1065 NE1 TRP A 139 81.721 72.609 90.001 1.00 48.59 N ATOM 1066 CE2 TRP A 139 82.305 73.827 90.237 1.00 51.23 C ATOM 1067 CE3 TRP A 139 83.416 74.963 92.061 1.00 50.11 C ATOM 1068 CZ2 TRP A 139 82.458 74.926 89.396 1.00 51.50 C ATOM 1069 CZ3 TRP A 139 83.571 76.057 91.222 1.00 56.60 C ATOM 1070 CH2 TRP A 139 83.093 76.029 89.905 1.00 59.99 C ATOM 1071 N VAL A 140 82.389 70.105 95.836 1.00 39.91 N ATOM 1072 CA VAL A 140 83.023 69.655 97.069 1.00 28.21 C ATOM 1073 C VAL A 140 84.233 70.533 97.338 1.00 31.03 C ATOM 1074 O VAL A 140 85.111 70.689 96.480 1.00 29.19 O ATOM 1075 CB VAL A 140 83.405 68.175 96.968 1.00 32.84 C ATOM 1076 CG1 VAL A 140 84.160 67.740 98.210 1.00 26.96 C ATOM 1077 CG2 VAL A 140 82.161 67.331 96.770 1.00 29.50 C ATOM 1078 N CYS A 141 84.275 71.121 98.533 1.00 29.12 N ATOM 1079 CA CYS A 141 85.276 72.105 98.918 1.00 35.10 C ATOM 1080 C CYS A 141 85.959 71.677 100.202 1.00 33.26 C ATOM 1081 O CYS A 141 85.566 70.707 100.846 1.00 33.16 O ATOM 1082 CB CYS A 141 84.651 73.492 99.152 1.00 33.98 C ATOM 1083 SG CYS A 141 84.228 74.374 97.651 1.00 57.12 S ATOM 1084 N LEU A 142 86.985 72.439 100.567 1.00 34.77 N ATOM 1085 CA LEU A 142 87.504 72.463 101.926 1.00 33.33 C ATOM 1086 C LEU A 142 86.763 73.540 102.706 1.00 35.34 C ATOM 1087 O LEU A 142 86.695 74.691 102.266 1.00 33.74 O ATOM 1088 CB LEU A 142 89.005 72.750 101.931 1.00 35.67 C ATOM 1089 CG LEU A 142 89.903 71.697 102.576 1.00 34.91 C ATOM 1090 CD1 LEU A 142 89.627 70.328 101.992 1.00 32.97 C ATOM 1091 CD2 LEU A 142 91.389 72.054 102.472 1.00 30.74 C ATOM 1092 N ALA A 143 86.219 73.167 103.861 1.00 29.56 N ATOM 1093 CA ALA A 143 85.436 74.075 104.684 1.00 36.19 C ATOM 1094 C ALA A 143 85.699 73.791 106.157 1.00 39.60 C ATOM 1095 O ALA A 143 85.994 72.653 106.546 1.00 33.43 O ATOM 1096 CB ALA A 143 83.931 73.943 104.397 1.00 31.99 C ATOM 1097 N GLY A 144 85.562 74.839 106.975 1.00 35.69 N ATOM 1098 CA GLY A 144 85.748 74.713 108.409 1.00 31.53 C ATOM 1099 C GLY A 144 84.613 74.021 109.131 1.00 35.82 C ATOM 1100 O GLY A 144 84.823 73.487 110.223 1.00 40.82 O ATOM 1101 N GLY A 145 83.415 74.012 108.559 1.00 38.52 N ATOM 1102 CA GLY A 145 82.293 73.389 109.218 1.00 41.43 C ATOM 1103 C GLY A 145 80.983 73.949 108.727 1.00 40.15 C ATOM 1104 O GLY A 145 80.875 74.366 107.572 1.00 42.41 O ATOM 1105 N PRO A 146 79.969 73.978 109.596 1.00 46.30 N ATOM 1106 CA PRO A 146 78.655 74.460 109.167 1.00 44.60 C ATOM 1107 C PRO A 146 78.760 75.861 108.608 1.00 44.27 C ATOM 1108 O PRO A 146 79.633 76.650 109.020 1.00 51.34 O ATOM 1109 CB PRO A 146 77.830 74.427 110.462 1.00 44.47 C ATOM 1110 CG PRO A 146 78.496 73.387 111.304 1.00 51.61 C ATOM 1111 CD PRO A 146 79.962 73.511 110.994 1.00 49.17 C ATOM 1112 N PRO A 147 77.901 76.218 107.640 1.00 45.16 N ATOM 1113 CA PRO A 147 76.783 75.456 107.068 1.00 45.88 C ATOM 1114 C PRO A 147 77.193 74.286 106.168 1.00 46.02 C ATOM 1115 O PRO A 147 76.350 73.456 105.832 1.00 49.51 O ATOM 1116 CB PRO A 147 76.035 76.512 106.248 1.00 47.34 C ATOM 1117 CG PRO A 147 77.096 77.452 105.816 1.00 48.68 C ATOM 1118 CD PRO A 147 78.085 77.510 106.957 1.00 45.75 C ATOM 1119 N SER A 148 78.462 74.210 105.780 1.00 47.06 N ATOM 1120 CA SER A 148 78.903 73.077 104.975 1.00 40.12 C ATOM 1121 C SER A 148 78.730 71.777 105.753 1.00 36.48 C ATOM 1122 O SER A 148 78.774 71.751 106.986 1.00 39.33 O ATOM 1123 CB SER A 148 80.362 73.261 104.556 1.00 34.83 C ATOM 1124 OG SER A 148 80.512 74.440 103.772 1.00 39.72 O ATOM 1125 N ILE A 149 78.513 70.689 105.026 1.00 34.07 N ATOM 1126 CA ILE A 149 78.344 69.373 105.627 1.00 33.34 C ATOM 1127 C ILE A 149 79.674 68.641 105.543 1.00 31.89 C ATOM 1128 O ILE A 149 80.211 68.436 104.448 1.00 32.74 O ATOM 1129 CB ILE A 149 77.228 68.583 104.932 1.00 33.16 C ATOM 1130 CG1 ILE A 149 75.923 69.401 104.955 1.00 37.91 C ATOM 1131 CG2 ILE A 149 77.037 67.233 105.611 1.00 33.21 C ATOM 1132 CD1 ILE A 149 74.850 68.828 104.080 1.00 45.18 C ATOM 1133 N THR A 150 80.209 68.250 106.699 1.00 35.22 N ATOM 1134 CA THR A 150 81.539 67.664 106.768 1.00 36.24 C ATOM 1135 C THR A 150 81.540 66.203 107.186 1.00 38.27 C ATOM 1136 O THR A 150 82.603 65.573 107.148 1.00 35.11 O ATOM 1137 CB THR A 150 82.430 68.452 107.743 1.00 34.88 C ATOM 1138 OG1 THR A 150 81.889 68.361 109.072 1.00 34.68 O ATOM 1139 CG2 THR A 150 82.526 69.915 107.327 1.00 35.49 C ATOM 1140 N ASP A 151 80.406 65.646 107.598 1.00 38.22 N ATOM 1141 CA ASP A 151 80.375 64.263 108.061 1.00 35.22 C ATOM 1142 C ASP A 151 79.789 63.373 106.979 1.00 35.63 C ATOM 1143 O ASP A 151 78.665 63.600 106.511 1.00 36.53 O ATOM 1144 CB ASP A 151 79.610 64.104 109.379 1.00 39.27 C ATOM 1145 CG ASP A 151 78.216 64.675 109.345 1.00 48.52 C ATOM 1146 OD1 ASP A 151 78.062 65.896 109.095 1.00 52.61 O ATOM 1147 OD2 ASP A 151 77.273 63.891 109.611 1.00 60.11 O ATOM 1148 N PHE A 152 80.551 62.361 106.589 1.00 32.79 N ATOM 1149 CA PHE A 152 80.157 61.460 105.526 1.00 29.69 C ATOM 1150 C PHE A 152 79.872 60.081 106.086 1.00 33.29 C ATOM 1151 O PHE A 152 80.396 59.686 107.129 1.00 33.39 O ATOM 1152 CB PHE A 152 81.235 61.356 104.449 1.00 31.30 C ATOM 1153 CG PHE A 152 81.464 62.640 103.708 1.00 30.87 C ATOM 1154 CD1 PHE A 152 80.730 62.936 102.573 1.00 27.73 C ATOM 1155 CD2 PHE A 152 82.390 63.560 104.160 1.00 29.07 C ATOM 1156 CE1 PHE A 152 80.918 64.121 101.896 1.00 30.56 C ATOM 1157 CE2 PHE A 152 82.591 64.748 103.482 1.00 30.95 C ATOM 1158 CZ PHE A 152 81.860 65.030 102.351 1.00 32.73 C ATOM 1159 N GLN A 153 79.003 59.380 105.384 1.00 31.08 N ATOM 1160 CA GLN A 153 78.798 57.957 105.537 1.00 32.00 C ATOM 1161 C GLN A 153 79.608 57.260 104.452 1.00 33.01 C ATOM 1162 O GLN A 153 79.696 57.759 103.326 1.00 34.69 O ATOM 1163 CB GLN A 153 77.299 57.674 105.430 1.00 38.67 C ATOM 1164 CG GLN A 153 76.862 56.269 105.157 1.00 48.00 C ATOM 1165 CD GLN A 153 75.332 56.193 105.087 1.00 54.93 C ATOM 1166 OE1 GLN A 153 74.770 55.508 104.243 1.00 53.31 O ATOM 1167 NE2 GLN A 153 74.663 56.918 105.979 1.00 59.85 N ATOM 1168 N ILE A 154 80.247 56.144 104.799 1.00 32.96 N ATOM 1169 CA ILE A 154 81.020 55.354 103.844 1.00 33.20 C ATOM 1170 C ILE A 154 80.202 54.128 103.464 1.00 38.44 C ATOM 1171 O ILE A 154 79.915 53.280 104.319 1.00 38.02 O ATOM 1172 CB ILE A 154 82.387 54.945 104.417 1.00 31.50 C ATOM 1173 CG1 ILE A 154 83.325 56.150 104.486 1.00 31.92 C ATOM 1174 CG2 ILE A 154 83.013 53.842 103.573 1.00 33.78 C ATOM 1175 CD1 ILE A 154 84.738 55.803 104.918 1.00 33.65 C ATOM 1176 N LEU A 155 79.841 54.025 102.177 1.00 36.95 N ATOM 1177 CA LEU A 155 79.081 52.894 101.632 1.00 39.95 C ATOM 1178 C LEU A 155 80.045 51.908 100.986 1.00 39.02 C ATOM 1179 O LEU A 155 80.564 52.181 99.901 1.00 36.19 O ATOM 1180 CB LEU A 155 78.074 53.370 100.587 1.00 38.20 C ATOM 1181 CG LEU A 155 76.597 53.419 100.934 1.00 43.97 C ATOM 1182 CD1 LEU A 155 76.050 52.034 101.267 1.00 44.26 C ATOM 1183 CD2 LEU A 155 76.463 54.363 102.099 1.00 47.35 C ATOM 1184 N GLU A 156 80.252 50.748 101.611 1.00 37.95 N ATOM 1185 CA GLU A 156 81.302 49.858 101.128 1.00 37.97 C ATOM 1186 C GLU A 156 80.792 48.882 100.074 1.00 43.77 C ATOM 1187 O GLU A 156 79.600 48.585 99.986 1.00 41.79 O ATOM 1188 CB GLU A 156 81.934 49.082 102.285 1.00 37.73 C ATOM 1189 CG GLU A 156 82.800 49.964 103.162 1.00 44.64 C ATOM 1190 CD GLU A 156 83.162 49.324 104.477 1.00 53.84 C ATOM 1191 OE1 GLU A 156 84.194 48.628 104.540 1.00 58.18 O ATOM 1192 OE2 GLU A 156 82.412 49.528 105.454 1.00 68.72 O ATOM 1193 N ASN A 157 81.735 48.378 99.272 1.00 42.88 N ATOM 1194 CA ASN A 157 81.481 47.331 98.282 1.00 49.38 C ATOM 1195 C ASN A 157 80.419 47.775 97.278 1.00 48.81 C ATOM 1196 O ASN A 157 79.368 47.151 97.128 1.00 50.39 O ATOM 1197 CB ASN A 157 81.082 46.023 98.972 1.00 49.47 C ATOM 1198 CG ASN A 157 81.966 45.708 100.157 1.00 46.52 C ATOM 1199 OD1 ASN A 157 83.187 45.792 100.067 1.00 44.16 O ATOM 1200 ND2 ASN A 157 81.353 45.374 101.283 1.00 53.94 N ATOM 1201 N GLN A 158 80.717 48.885 96.597 1.00 43.62 N ATOM 1202 CA GLN A 158 79.800 49.520 95.660 1.00 47.62 C ATOM 1203 C GLN A 158 80.295 49.445 94.224 1.00 49.41 C ATOM 1204 O GLN A 158 79.906 50.277 93.396 1.00 49.02 O ATOM 1205 CB GLN A 158 79.563 50.979 96.055 1.00 36.95 C ATOM 1206 CG GLN A 158 78.853 51.146 97.382 1.00 37.60 C ATOM 1207 CD GLN A 158 77.460 50.547 97.372 1.00 46.70 C ATOM 1208 OE1 GLN A 158 76.679 50.781 96.445 1.00 46.93 O ATOM 1209 NE2 GLN A 158 77.140 49.771 98.403 1.00 38.19 N ATOM 1210 N ALA A 159 81.151 48.477 93.912 1.00 42.55 N ATOM 1211 CA ALA A 159 81.786 48.411 92.597 1.00 51.11 C ATOM 1212 C ALA A 159 80.768 48.203 91.471 1.00 63.15 C ATOM 1213 O ALA A 159 79.577 47.995 91.716 1.00 64.29 O ATOM 1214 CB ALA A 159 82.834 47.302 92.575 1.00 54.89 C TER 1215 ALA A 159 ATOM 1216 O5' DC B 1 99.901 39.916 101.160 1.00 52.80 O ATOM 1217 C5' DC B 1 100.712 41.059 101.388 1.00 43.43 C ATOM 1218 C4' DC B 1 102.032 40.929 100.650 1.00 43.42 C ATOM 1219 O4' DC B 1 102.623 39.648 100.964 1.00 44.73 O ATOM 1220 C3' DC B 1 101.922 40.973 99.128 1.00 44.62 C ATOM 1221 O3' DC B 1 103.020 41.669 98.600 1.00 48.35 O ATOM 1222 C2' DC B 1 101.977 39.503 98.743 1.00 46.24 C ATOM 1223 C1' DC B 1 102.967 38.995 99.768 1.00 46.00 C ATOM 1224 N1 DC B 1 102.904 37.532 99.992 1.00 47.36 N ATOM 1225 C2 DC B 1 103.718 36.690 99.229 1.00 48.61 C ATOM 1226 O2 DC B 1 104.468 37.189 98.381 1.00 50.49 O ATOM 1227 N3 DC B 1 103.664 35.350 99.444 1.00 45.91 N ATOM 1228 C4 DC B 1 102.846 34.854 100.366 1.00 48.35 C ATOM 1229 N4 DC B 1 102.828 33.523 100.538 1.00 52.39 N ATOM 1230 C5 DC B 1 102.002 35.697 101.156 1.00 40.97 C ATOM 1231 C6 DC B 1 102.065 37.018 100.939 1.00 44.80 C ATOM 1232 P DG B 2 102.910 43.244 98.342 1.00 49.43 P ATOM 1233 OP1 DG B 2 101.523 43.524 97.930 1.00 53.62 O ATOM 1234 OP2 DG B 2 104.062 43.684 97.523 1.00 50.76 O ATOM 1235 O5' DG B 2 103.086 43.872 99.792 1.00 52.20 O ATOM 1236 C5' DG B 2 104.349 43.861 100.414 1.00 45.13 C ATOM 1237 C4' DG B 2 104.246 44.398 101.827 1.00 40.64 C ATOM 1238 O4' DG B 2 103.200 43.693 102.520 1.00 34.25 O ATOM 1239 C3' DG B 2 105.490 44.187 102.664 1.00 34.93 C ATOM 1240 O3' DG B 2 106.384 45.283 102.488 1.00 38.69 O ATOM 1241 C2' DG B 2 104.936 44.119 104.085 1.00 33.30 C ATOM 1242 C1' DG B 2 103.536 43.535 103.884 1.00 36.29 C ATOM 1243 N9 DG B 2 103.410 42.116 104.243 1.00 35.88 N ATOM 1244 C8 DG B 2 102.631 41.588 105.241 1.00 31.13 C ATOM 1245 N7 DG B 2 102.710 40.288 105.332 1.00 38.74 N ATOM 1246 C5 DG B 2 103.597 39.928 104.326 1.00 32.01 C ATOM 1247 C6 DG B 2 104.068 38.647 103.945 1.00 36.75 C ATOM 1248 O6 DG B 2 103.783 37.547 104.437 1.00 33.59 O ATOM 1249 N1 DG B 2 104.954 38.718 102.878 1.00 34.34 N ATOM 1250 C2 DG B 2 105.337 39.878 102.255 1.00 40.64 C ATOM 1251 N2 DG B 2 106.197 39.743 101.234 1.00 37.00 N ATOM 1252 N3 DG B 2 104.896 41.090 102.601 1.00 32.66 N ATOM 1253 C4 DG B 2 104.038 41.037 103.644 1.00 32.53 C HETATM 1254 C2 85Y B 3 108.794 43.076 109.814 1.00 32.45 C HETATM 1255 C20 85Y B 3 109.916 39.762 107.409 1.00 35.40 C HETATM 1256 C24 85Y B 3 109.790 36.271 107.829 1.00 39.70 C HETATM 1257 C30 85Y B 3 109.440 32.642 108.176 1.00 49.00 C HETATM 1258 C33 85Y B 3 107.317 33.562 109.849 1.00 38.83 C HETATM 1259 C4 85Y B 3 109.035 40.778 109.654 1.00 29.94 C HETATM 1260 C5 85Y B 3 109.555 40.921 108.278 1.00 30.94 C HETATM 1261 C23 85Y B 3 110.559 37.410 107.204 1.00 38.68 C HETATM 1262 C25 85Y B 3 110.066 34.922 107.636 1.00 48.18 C HETATM 1263 C26 85Y B 3 109.250 33.998 108.300 1.00 45.20 C HETATM 1264 O4 85Y B 3 108.919 39.668 110.192 1.00 32.05 O HETATM 1265 N3 85Y B 3 108.695 41.863 110.360 1.00 32.64 N HETATM 1266 O2 85Y B 3 108.456 44.093 110.472 1.00 35.61 O HETATM 1267 C6 85Y B 3 109.645 42.199 107.758 1.00 32.22 C HETATM 1268 N1 85Y B 3 109.276 43.240 108.511 1.00 32.39 N HETATM 1269 C1' 85Y B 3 109.372 44.607 107.998 1.00 31.78 C HETATM 1270 O4' 85Y B 3 108.323 44.936 107.088 1.00 38.71 O HETATM 1271 C2' 85Y B 3 110.678 44.886 107.266 1.00 29.00 C HETATM 1272 C3' 85Y B 3 110.283 46.080 106.418 1.00 34.70 C HETATM 1273 O3' 85Y B 3 110.343 47.313 107.151 1.00 36.37 O HETATM 1274 C4' 85Y B 3 108.846 45.779 106.063 1.00 41.26 C HETATM 1275 C5' 85Y B 3 108.910 44.934 104.809 1.00 47.16 C HETATM 1276 O5' 85Y B 3 107.808 45.272 104.002 1.00 39.31 O HETATM 1277 P 85Y B 3 107.940 45.280 102.413 1.00 43.05 P HETATM 1278 OP2 85Y B 3 108.487 43.926 102.024 1.00 45.01 O HETATM 1279 O21 85Y B 3 110.758 40.138 106.308 1.00 35.85 O HETATM 1280 N22 85Y B 3 110.354 38.555 108.127 1.00 35.76 N HETATM 1281 C27 85Y B 3 108.139 34.452 109.181 1.00 44.33 C HETATM 1282 C28 85Y B 3 107.923 35.795 109.326 1.00 48.44 C HETATM 1283 C29 85Y B 3 108.749 36.676 108.650 1.00 45.85 C HETATM 1284 C31 85Y B 3 108.594 31.777 108.867 1.00 46.33 C HETATM 1285 C32 85Y B 3 107.557 32.213 109.685 1.00 38.82 C HETATM 1286 OP1 85Y B 3 108.612 46.559 102.005 1.00 49.33 O ATOM 1287 P DG B 4 111.790 47.901 107.167 1.00 37.36 P ATOM 1288 OP1 DG B 4 111.336 49.298 107.382 1.00 41.75 O ATOM 1289 OP2 DG B 4 112.791 47.597 106.136 1.00 40.13 O ATOM 1290 O5' DG B 4 112.362 47.298 108.523 1.00 32.73 O ATOM 1291 C5' DG B 4 111.578 47.323 109.688 1.00 30.53 C ATOM 1292 C4' DG B 4 112.205 46.460 110.763 1.00 33.49 C ATOM 1293 O4' DG B 4 112.056 45.053 110.416 1.00 34.30 O ATOM 1294 C3' DG B 4 113.708 46.685 110.969 1.00 32.29 C ATOM 1295 O3' DG B 4 113.996 46.671 112.332 1.00 36.09 O ATOM 1296 C2' DG B 4 114.327 45.472 110.292 1.00 32.31 C ATOM 1297 C1' DG B 4 113.289 44.414 110.608 1.00 29.32 C ATOM 1298 N9 DG B 4 113.388 43.251 109.741 1.00 31.19 N ATOM 1299 C8 DG B 4 113.956 43.199 108.487 1.00 34.21 C ATOM 1300 N7 DG B 4 113.941 42.003 107.963 1.00 33.63 N ATOM 1301 C5 DG B 4 113.349 41.215 108.940 1.00 30.32 C ATOM 1302 C6 DG B 4 113.075 39.835 108.944 1.00 34.65 C ATOM 1303 O6 DG B 4 113.314 39.007 108.055 1.00 43.10 O ATOM 1304 N1 DG B 4 112.465 39.432 110.128 1.00 32.47 N ATOM 1305 C2 DG B 4 112.150 40.269 111.175 1.00 33.77 C ATOM 1306 N2 DG B 4 111.562 39.706 112.239 1.00 31.21 N ATOM 1307 N3 DG B 4 112.408 41.562 111.184 1.00 32.38 N ATOM 1308 C4 DG B 4 113.009 41.966 110.039 1.00 30.69 C ATOM 1309 P DA B 5 115.245 47.513 112.912 1.00 38.04 P ATOM 1310 OP1 DA B 5 115.739 48.465 111.904 1.00 32.32 O ATOM 1311 OP2 DA B 5 116.124 46.526 113.573 1.00 39.41 O ATOM 1312 O5' DA B 5 114.546 48.461 113.965 1.00 40.99 O ATOM 1313 C5' DA B 5 114.688 48.194 115.287 1.00 47.82 C ATOM 1314 C4' DA B 5 113.465 48.640 116.038 1.00 37.61 C ATOM 1315 O4' DA B 5 112.448 47.627 115.874 1.00 35.43 O ATOM 1316 C3' DA B 5 113.710 48.728 117.525 1.00 33.77 C ATOM 1317 O3' DA B 5 112.826 49.611 118.106 1.00 32.95 O ATOM 1318 C2' DA B 5 113.466 47.293 118.005 1.00 37.02 C ATOM 1319 C1' DA B 5 112.505 46.714 116.956 1.00 35.13 C ATOM 1320 N9 DA B 5 112.974 45.421 116.482 1.00 33.12 N ATOM 1321 C8 DA B 5 113.435 45.089 115.238 1.00 32.72 C ATOM 1322 N7 DA B 5 113.828 43.829 115.144 1.00 33.29 N ATOM 1323 C5 DA B 5 113.615 43.323 116.421 1.00 30.11 C ATOM 1324 C6 DA B 5 113.833 42.052 116.997 1.00 37.37 C ATOM 1325 N6 DA B 5 114.329 41.008 116.322 1.00 35.67 N ATOM 1326 N1 DA B 5 113.508 41.887 118.299 1.00 37.55 N ATOM 1327 C2 DA B 5 113.013 42.929 118.976 1.00 38.83 C ATOM 1328 N3 DA B 5 112.772 44.172 118.544 1.00 35.27 N ATOM 1329 C4 DA B 5 113.100 44.299 117.249 1.00 31.73 C ATOM 1330 P DG B 6 113.353 51.016 118.672 1.00 37.30 P ATOM 1331 OP1 DG B 6 114.840 51.040 118.753 1.00 36.26 O ATOM 1332 OP2 DG B 6 112.516 51.250 119.867 1.00 39.15 O ATOM 1333 O5' DG B 6 112.978 52.030 117.514 1.00 31.39 O ATOM 1334 C5' DG B 6 111.638 52.449 117.379 1.00 33.39 C ATOM 1335 C4' DG B 6 111.452 53.261 116.121 1.00 30.33 C ATOM 1336 O4' DG B 6 111.598 52.397 114.958 1.00 27.65 O ATOM 1337 C3' DG B 6 110.073 53.891 115.976 1.00 25.06 C ATOM 1338 O3' DG B 6 110.193 55.098 115.219 1.00 28.86 O ATOM 1339 C2' DG B 6 109.295 52.805 115.232 1.00 25.07 C ATOM 1340 C1' DG B 6 110.360 52.303 114.267 1.00 30.86 C ATOM 1341 N9 DG B 6 110.221 50.912 113.831 1.00 30.05 N ATOM 1342 C8 DG B 6 110.483 50.441 112.566 1.00 28.31 C ATOM 1343 N7 DG B 6 110.355 49.151 112.456 1.00 28.24 N ATOM 1344 C5 DG B 6 110.016 48.725 113.738 1.00 26.21 C ATOM 1345 C6 DG B 6 109.752 47.421 114.220 1.00 27.71 C ATOM 1346 O6 DG B 6 109.758 46.357 113.589 1.00 30.45 O ATOM 1347 N1 DG B 6 109.427 47.421 115.572 1.00 26.42 N ATOM 1348 C2 DG B 6 109.378 48.542 116.366 1.00 27.86 C ATOM 1349 N2 DG B 6 109.065 48.339 117.652 1.00 25.74 N ATOM 1350 N3 DG B 6 109.639 49.771 115.932 1.00 27.70 N ATOM 1351 C4 DG B 6 109.951 49.789 114.607 1.00 26.54 C HETATM 1352 C2 85Y B 7 104.511 56.332 113.477 1.00 24.37 C HETATM 1353 C20 85Y B 7 100.335 56.986 113.905 1.00 21.66 C HETATM 1354 C24 85Y B 7 97.236 56.248 113.073 1.00 24.78 C HETATM 1355 C30 85Y B 7 97.139 52.772 111.786 1.00 26.78 C HETATM 1356 C33 85Y B 7 94.748 52.843 113.314 1.00 26.57 C HETATM 1357 C4 85Y B 7 102.498 56.892 112.448 1.00 24.29 C HETATM 1358 C5 85Y B 7 101.788 56.702 113.736 1.00 22.50 C HETATM 1359 C23 85Y B 7 98.149 57.459 112.993 1.00 21.34 C HETATM 1360 C25 85Y B 7 97.606 55.087 112.396 1.00 21.96 C HETATM 1361 C26 85Y B 7 96.797 53.953 112.451 1.00 24.24 C HETATM 1362 O4 85Y B 7 101.894 57.213 111.409 1.00 24.79 O HETATM 1363 N3 85Y B 7 103.818 56.684 112.385 1.00 28.25 N HETATM 1364 O2 85Y B 7 105.732 56.155 113.361 1.00 26.98 O HETATM 1365 C6 85Y B 7 102.548 56.344 114.830 1.00 24.44 C HETATM 1366 N1 85Y B 7 103.871 56.133 114.711 1.00 26.52 N HETATM 1367 C1' 85Y B 7 104.624 55.787 115.931 1.00 28.80 C HETATM 1368 O4' 85Y B 7 105.480 56.902 116.195 1.00 31.02 O HETATM 1369 C2' 85Y B 7 105.506 54.541 115.948 1.00 28.14 C HETATM 1370 C3' 85Y B 7 106.614 54.956 116.909 1.00 28.11 C HETATM 1371 O3' 85Y B 7 106.241 54.677 118.273 1.00 29.24 O HETATM 1372 C4' 85Y B 7 106.718 56.471 116.746 1.00 32.42 C HETATM 1373 C5' 85Y B 7 107.837 56.886 115.817 1.00 24.92 C HETATM 1374 O5' 85Y B 7 108.998 56.781 116.626 1.00 35.29 O HETATM 1375 P 85Y B 7 110.443 56.401 116.043 1.00 31.65 P HETATM 1376 OP2 85Y B 7 111.303 56.285 117.274 1.00 34.58 O HETATM 1377 O21 85Y B 7 99.763 56.316 115.024 1.00 23.82 O HETATM 1378 N22 85Y B 7 99.516 56.964 112.684 1.00 22.69 N HETATM 1379 C27 85Y B 7 95.553 53.988 113.250 1.00 24.99 C HETATM 1380 C28 85Y B 7 95.228 55.166 113.924 1.00 25.67 C HETATM 1381 C29 85Y B 7 96.067 56.287 113.834 1.00 24.50 C HETATM 1382 C31 85Y B 7 96.303 51.644 111.882 1.00 24.77 C HETATM 1383 C32 85Y B 7 95.122 51.683 112.630 1.00 26.63 C HETATM 1384 OP1 85Y B 7 110.736 57.409 114.968 1.00 29.49 O HETATM 1385 C2 85Y B 8 105.631 47.351 116.823 1.00 29.61 C HETATM 1386 C20 85Y B 8 106.810 50.427 114.189 1.00 26.85 C HETATM 1387 C24 85Y B 8 105.655 51.491 111.218 1.00 26.37 C HETATM 1388 C30 85Y B 8 102.582 53.499 111.750 1.00 26.66 C HETATM 1389 C33 85Y B 8 101.896 52.066 109.396 1.00 29.00 C HETATM 1390 C4 85Y B 8 106.495 47.920 114.760 1.00 26.70 C HETATM 1391 C5 85Y B 8 106.344 49.355 115.108 1.00 24.91 C HETATM 1392 C23 85Y B 8 106.994 51.271 111.907 1.00 23.74 C HETATM 1393 C25 85Y B 8 104.752 52.394 111.781 1.00 23.37 C HETATM 1394 C26 85Y B 8 103.499 52.596 111.207 1.00 27.17 C HETATM 1395 O4 85Y B 8 106.954 47.591 113.646 1.00 27.16 O HETATM 1396 N3 85Y B 8 106.121 46.983 115.637 1.00 26.71 N HETATM 1397 O2 85Y B 8 105.272 46.490 117.651 1.00 29.85 O HETATM 1398 C6 85Y B 8 105.827 49.690 116.344 1.00 25.66 C HETATM 1399 N1 85Y B 8 105.473 48.709 117.171 1.00 27.63 N HETATM 1400 C1' 85Y B 8 104.894 49.013 118.483 1.00 32.04 C HETATM 1401 O4' 85Y B 8 104.030 50.147 118.373 1.00 27.93 O HETATM 1402 C2' 85Y B 8 105.916 49.342 119.563 1.00 27.70 C HETATM 1403 C3' 85Y B 8 105.059 50.162 120.509 1.00 30.46 C HETATM 1404 O3' 85Y B 8 104.350 49.284 121.388 1.00 31.48 O HETATM 1405 C4' 85Y B 8 104.064 50.874 119.604 1.00 34.03 C HETATM 1406 C5' 85Y B 8 104.512 52.303 119.343 1.00 28.16 C HETATM 1407 O5' 85Y B 8 105.862 52.280 118.910 1.00 31.80 O HETATM 1408 P 85Y B 8 106.770 53.564 119.232 1.00 31.27 P HETATM 1409 OP2 85Y B 8 108.154 53.352 118.687 1.00 31.70 O HETATM 1410 O21 85Y B 8 106.282 51.694 114.552 1.00 27.27 O HETATM 1411 N22 85Y B 8 106.737 50.104 112.759 1.00 28.32 N HETATM 1412 C27 85Y B 8 103.147 51.853 109.976 1.00 25.47 C HETATM 1413 C28 85Y B 8 104.077 50.955 109.439 1.00 29.65 C HETATM 1414 C29 85Y B 8 105.327 50.772 110.064 1.00 27.87 C HETATM 1415 C31 85Y B 8 101.354 53.680 111.126 1.00 26.20 C HETATM 1416 C32 85Y B 8 101.012 52.980 109.964 1.00 21.60 C HETATM 1417 OP1 85Y B 8 106.421 54.077 120.603 1.00 34.95 O ATOM 1418 P DA B 9 103.525 49.773 122.616 1.00 39.66 P ATOM 1419 OP1 DA B 9 104.546 50.645 123.226 1.00 37.95 O ATOM 1420 OP2 DA B 9 102.998 48.583 123.297 1.00 36.57 O ATOM 1421 O5' DA B 9 102.277 50.709 122.249 1.00 35.32 O ATOM 1422 C5' DA B 9 101.160 50.159 121.595 1.00 30.95 C ATOM 1423 C4' DA B 9 100.202 51.246 121.166 1.00 33.44 C ATOM 1424 O4' DA B 9 100.925 52.240 120.412 1.00 34.32 O ATOM 1425 C3' DA B 9 99.091 50.764 120.259 1.00 30.30 C ATOM 1426 O3' DA B 9 97.980 50.386 121.051 1.00 33.69 O ATOM 1427 C2' DA B 9 98.787 51.990 119.377 1.00 29.74 C ATOM 1428 C1' DA B 9 100.119 52.755 119.364 1.00 30.63 C ATOM 1429 N9 DA B 9 100.903 52.635 118.134 1.00 28.96 N ATOM 1430 C8 DA B 9 101.605 53.633 117.525 1.00 23.48 C ATOM 1431 N7 DA B 9 102.272 53.245 116.469 1.00 25.18 N ATOM 1432 C5 DA B 9 102.008 51.896 116.386 1.00 23.56 C ATOM 1433 C6 DA B 9 102.420 50.913 115.473 1.00 22.40 C ATOM 1434 N6 DA B 9 103.221 51.163 114.439 1.00 23.34 N ATOM 1435 N1 DA B 9 101.976 49.658 115.664 1.00 26.52 N ATOM 1436 C2 DA B 9 101.163 49.405 116.698 1.00 25.69 C ATOM 1437 N3 DA B 9 100.711 50.245 117.626 1.00 28.07 N ATOM 1438 C4 DA B 9 101.169 51.495 117.404 1.00 25.74 C HETATM 1439 C2 85Y B 10 97.481 53.793 116.161 1.00 29.26 C HETATM 1440 C20 85Y B 10 98.952 50.647 113.737 1.00 22.52 C HETATM 1441 C24 85Y B 10 100.368 49.534 110.951 1.00 24.56 C HETATM 1442 C30 85Y B 10 97.710 50.659 108.620 1.00 26.20 C HETATM 1443 C33 85Y B 10 99.261 48.991 106.915 1.00 21.76 C HETATM 1444 C4 85Y B 10 99.120 53.102 114.674 1.00 24.32 C HETATM 1445 C5 85Y B 10 98.479 51.756 114.619 1.00 26.05 C HETATM 1446 C23 85Y B 10 100.793 49.711 112.398 1.00 25.79 C HETATM 1447 C25 85Y B 10 99.239 50.168 110.455 1.00 23.47 C HETATM 1448 C26 85Y B 10 98.848 50.020 109.125 1.00 23.25 C HETATM 1449 O4 85Y B 10 100.145 53.340 114.016 1.00 22.60 O HETATM 1450 N3 85Y B 10 98.600 54.049 115.458 1.00 20.93 N HETATM 1451 O2 85Y B 10 96.988 54.696 116.875 1.00 26.43 O HETATM 1452 C6 85Y B 10 97.311 51.550 115.350 1.00 24.25 C HETATM 1453 N1 85Y B 10 96.833 52.528 116.119 1.00 25.63 N HETATM 1454 C1' 85Y B 10 95.613 52.389 116.920 1.00 23.17 C HETATM 1455 O4' 85Y B 10 95.839 52.528 118.319 1.00 27.39 O HETATM 1456 C2' 85Y B 10 94.886 51.070 116.768 1.00 29.33 C HETATM 1457 C3' 85Y B 10 94.009 51.065 118.009 1.00 28.73 C HETATM 1458 O3' 85Y B 10 92.719 51.600 117.708 1.00 30.31 O HETATM 1459 C4' 85Y B 10 94.716 51.971 119.007 1.00 29.35 C HETATM 1460 C5' 85Y B 10 95.236 51.179 120.201 1.00 31.72 C HETATM 1461 O5' 85Y B 10 96.108 50.141 119.735 1.00 32.06 O HETATM 1462 P 85Y B 10 96.972 49.235 120.762 1.00 31.37 P HETATM 1463 OP2 85Y B 10 97.476 48.066 119.966 1.00 32.18 O HETATM 1464 O21 85Y B 10 98.837 49.365 114.333 1.00 27.57 O HETATM 1465 N22 85Y B 10 100.242 50.914 113.090 1.00 23.51 N HETATM 1466 C27 85Y B 10 99.647 49.145 108.243 1.00 25.68 C HETATM 1467 C28 85Y B 10 100.773 48.503 108.772 1.00 23.18 C HETATM 1468 C29 85Y B 10 101.126 48.706 110.110 1.00 26.22 C HETATM 1469 C31 85Y B 10 97.348 50.465 107.280 1.00 25.48 C HETATM 1470 C32 85Y B 10 98.112 49.642 106.447 1.00 25.98 C HETATM 1471 OP1 85Y B 10 96.141 49.031 121.994 1.00 33.47 O ATOM 1472 P DG B 11 91.448 51.028 118.418 1.00 33.84 P ATOM 1473 OP1 DG B 11 90.687 52.141 119.020 1.00 34.76 O ATOM 1474 OP2 DG B 11 91.732 49.782 119.173 1.00 40.28 O ATOM 1475 O5' DG B 11 90.691 50.600 117.084 1.00 35.23 O ATOM 1476 C5' DG B 11 89.265 50.599 117.019 1.00 37.83 C ATOM 1477 C4' DG B 11 88.834 50.723 115.574 1.00 35.17 C ATOM 1478 O4' DG B 11 88.944 52.124 115.183 1.00 35.99 O ATOM 1479 C3' DG B 11 89.720 49.949 114.588 1.00 32.71 C ATOM 1480 O3' DG B 11 88.964 49.537 113.478 1.00 34.36 O ATOM 1481 C2' DG B 11 90.734 51.004 114.163 1.00 30.17 C ATOM 1482 C1' DG B 11 89.857 52.250 114.118 1.00 26.12 C ATOM 1483 N9 DG B 11 90.638 53.476 114.260 1.00 27.54 N ATOM 1484 C8 DG B 11 91.595 53.739 115.205 1.00 26.53 C ATOM 1485 N7 DG B 11 92.176 54.890 115.048 1.00 30.77 N ATOM 1486 C5 DG B 11 91.570 55.421 113.922 1.00 31.07 C ATOM 1487 C6 DG B 11 91.783 56.655 113.268 1.00 26.42 C ATOM 1488 O6 DG B 11 92.589 57.542 113.559 1.00 27.59 O ATOM 1489 N1 DG B 11 90.960 56.800 112.160 1.00 24.97 N ATOM 1490 C2 DG B 11 90.038 55.873 111.738 1.00 28.69 C ATOM 1491 N2 DG B 11 89.326 56.192 110.649 1.00 25.14 N ATOM 1492 N3 DG B 11 89.823 54.714 112.347 1.00 25.86 N ATOM 1493 C4 DG B 11 90.628 54.552 113.420 1.00 26.63 C ATOM 1494 P DG B 12 88.807 47.978 113.118 1.00 30.81 P ATOM 1495 OP1 DG B 12 87.923 47.917 111.942 1.00 29.96 O ATOM 1496 OP2 DG B 12 88.515 47.279 114.390 1.00 36.27 O ATOM 1497 O5' DG B 12 90.254 47.522 112.642 1.00 33.08 O ATOM 1498 C5' DG B 12 90.801 48.012 111.467 1.00 27.18 C ATOM 1499 C4' DG B 12 92.280 47.689 111.435 1.00 30.48 C ATOM 1500 O4' DG B 12 92.937 48.345 112.542 1.00 28.15 O ATOM 1501 C3' DG B 12 92.612 46.211 111.594 1.00 27.15 C ATOM 1502 O3' DG B 12 92.592 45.606 110.312 1.00 35.31 O ATOM 1503 C2' DG B 12 94.038 46.264 112.173 1.00 29.54 C ATOM 1504 C1' DG B 12 93.990 47.525 113.045 1.00 27.80 C ATOM 1505 N9 DG B 12 93.733 47.268 114.468 1.00 28.00 N ATOM 1506 C8 DG B 12 92.552 46.838 115.043 1.00 30.34 C ATOM 1507 N7 DG B 12 92.624 46.709 116.341 1.00 33.36 N ATOM 1508 C5 DG B 12 93.924 47.097 116.651 1.00 27.80 C ATOM 1509 C6 DG B 12 94.587 47.161 117.898 1.00 29.03 C ATOM 1510 O6 DG B 12 94.140 46.883 119.009 1.00 31.10 O ATOM 1511 N1 DG B 12 95.914 47.596 117.765 1.00 26.81 N ATOM 1512 C2 DG B 12 96.502 47.938 116.564 1.00 27.39 C ATOM 1513 N2 DG B 12 97.784 48.362 116.604 1.00 28.70 N ATOM 1514 N3 DG B 12 95.884 47.873 115.397 1.00 27.67 N ATOM 1515 C4 DG B 12 94.610 47.455 115.512 1.00 30.52 C ATOM 1516 P DG B 13 92.488 44.003 110.128 1.00 36.87 P ATOM 1517 OP1 DG B 13 92.131 43.825 108.705 1.00 35.65 O ATOM 1518 OP2 DG B 13 91.728 43.383 111.244 1.00 31.66 O ATOM 1519 O5' DG B 13 93.972 43.515 110.236 1.00 35.59 O ATOM 1520 C5' DG B 13 94.873 43.792 109.209 1.00 33.13 C ATOM 1521 C4' DG B 13 96.251 43.398 109.662 1.00 37.19 C ATOM 1522 O4' DG B 13 96.443 43.954 110.986 1.00 32.27 O ATOM 1523 C3' DG B 13 96.461 41.888 109.781 1.00 34.98 C ATOM 1524 O3' DG B 13 97.735 41.507 109.260 1.00 34.72 O ATOM 1525 C2' DG B 13 96.361 41.629 111.281 1.00 35.82 C ATOM 1526 C1' DG B 13 96.803 42.951 111.890 1.00 31.54 C ATOM 1527 N9 DG B 13 96.179 43.195 113.189 1.00 29.66 N ATOM 1528 C8 DG B 13 94.966 42.718 113.612 1.00 34.08 C ATOM 1529 N7 DG B 13 94.672 43.045 114.841 1.00 28.16 N ATOM 1530 C5 DG B 13 95.777 43.740 115.280 1.00 29.93 C ATOM 1531 C6 DG B 13 96.039 44.323 116.539 1.00 31.31 C ATOM 1532 O6 DG B 13 95.314 44.339 117.540 1.00 35.77 O ATOM 1533 N1 DG B 13 97.283 44.955 116.567 1.00 32.29 N ATOM 1534 C2 DG B 13 98.153 45.021 115.516 1.00 26.95 C ATOM 1535 N2 DG B 13 99.300 45.685 115.736 1.00 26.57 N ATOM 1536 N3 DG B 13 97.929 44.467 114.328 1.00 28.82 N ATOM 1537 C4 DG B 13 96.726 43.839 114.282 1.00 31.12 C HETATM 1538 C2 85Y B 14 99.494 46.609 112.136 1.00 27.16 C HETATM 1539 C20 85Y B 14 96.715 46.667 108.967 1.00 23.74 C HETATM 1540 C24 85Y B 14 93.766 48.674 108.110 1.00 26.16 C HETATM 1541 C30 85Y B 14 92.846 51.661 110.049 1.00 27.78 C HETATM 1542 C33 85Y B 14 90.295 50.810 109.100 1.00 28.89 C HETATM 1543 C4 85Y B 14 97.491 47.492 111.298 1.00 26.05 C HETATM 1544 C5 85Y B 14 97.699 46.675 110.080 1.00 25.93 C HETATM 1545 C23 85Y B 14 95.006 47.871 107.746 1.00 28.48 C HETATM 1546 C25 85Y B 14 93.901 49.808 108.913 1.00 25.43 C HETATM 1547 C26 85Y B 14 92.762 50.539 109.244 1.00 27.03 C HETATM 1548 O4 85Y B 14 96.496 48.265 111.409 1.00 21.54 O HETATM 1549 N3 85Y B 14 98.418 47.409 112.262 1.00 22.88 N HETATM 1550 O2 85Y B 14 100.356 46.534 113.038 1.00 28.92 O HETATM 1551 C6 85Y B 14 98.817 45.850 110.001 1.00 27.67 C HETATM 1552 N1 85Y B 14 99.693 45.811 111.001 1.00 25.81 N HETATM 1553 C1' 85Y B 14 100.885 44.973 110.925 1.00 27.51 C HETATM 1554 O4' 85Y B 14 101.143 44.711 109.546 1.00 34.07 O HETATM 1555 C2' 85Y B 14 100.715 43.630 111.634 1.00 27.95 C HETATM 1556 C3' 85Y B 14 100.767 42.582 110.532 1.00 33.28 C HETATM 1557 O3' 85Y B 14 101.521 41.411 110.932 1.00 33.80 O HETATM 1558 C4' 85Y B 14 101.419 43.308 109.365 1.00 36.96 C HETATM 1559 C5' 85Y B 14 100.866 42.807 108.039 1.00 33.10 C HETATM 1560 O5' 85Y B 14 99.439 42.880 108.087 1.00 34.71 O HETATM 1561 P 85Y B 14 98.531 41.567 107.919 1.00 40.41 P HETATM 1562 OP2 85Y B 14 99.455 40.424 107.633 1.00 45.21 O HETATM 1563 O21 85Y B 14 97.332 46.381 107.711 1.00 31.72 O HETATM 1564 N22 85Y B 14 95.877 47.855 108.935 1.00 25.61 N HETATM 1565 C27 85Y B 14 91.432 50.094 108.757 1.00 28.15 C HETATM 1566 C28 85Y B 14 91.343 48.966 107.963 1.00 26.51 C HETATM 1567 C29 85Y B 14 92.514 48.269 107.650 1.00 29.71 C HETATM 1568 C31 85Y B 14 91.677 52.356 110.364 1.00 33.70 C HETATM 1569 C32 85Y B 14 90.428 51.935 109.898 1.00 28.28 C HETATM 1570 OP1 85Y B 14 97.383 41.912 107.009 1.00 41.18 O HETATM 1571 C2 85Y B 15 102.862 46.316 115.206 1.00 27.96 C HETATM 1572 C20 85Y B 15 104.724 45.956 111.486 1.00 26.89 C HETATM 1573 C24 85Y B 15 104.937 47.015 108.143 1.00 30.93 C HETATM 1574 C30 85Y B 15 102.002 46.267 106.096 1.00 37.59 C HETATM 1575 C33 85Y B 15 103.620 47.736 104.248 1.00 37.05 C HETATM 1576 C4 85Y B 15 103.609 47.411 113.319 1.00 26.09 C HETATM 1577 C5 85Y B 15 104.025 46.098 112.773 1.00 26.48 C HETATM 1578 C23 85Y B 15 105.578 46.848 109.502 1.00 24.54 C HETATM 1579 C25 85Y B 15 103.679 46.494 107.811 1.00 32.18 C HETATM 1580 C26 85Y B 15 103.225 46.728 106.510 1.00 30.64 C HETATM 1581 O4 85Y B 15 103.780 48.446 112.657 1.00 22.50 O HETATM 1582 N3 85Y B 15 103.034 47.462 114.518 1.00 26.72 N HETATM 1583 O2 85Y B 15 102.325 46.333 116.330 1.00 31.84 O HETATM 1584 C6 85Y B 15 103.852 44.951 113.517 1.00 29.58 C HETATM 1585 N1 85Y B 15 103.258 45.064 114.698 1.00 32.40 N HETATM 1586 C1' 85Y B 15 103.084 43.858 115.500 1.00 30.32 C HETATM 1587 O4' 85Y B 15 103.804 42.808 114.870 1.00 32.74 O HETATM 1588 C2' 85Y B 15 101.666 43.348 115.712 1.00 30.72 C HETATM 1589 C3' 85Y B 15 101.984 41.886 116.023 1.00 36.68 C HETATM 1590 O3' 85Y B 15 102.274 41.745 117.425 1.00 41.43 O HETATM 1591 C4' 85Y B 15 103.245 41.553 115.241 1.00 29.73 C HETATM 1592 C5' 85Y B 15 102.985 40.782 113.957 1.00 34.09 C HETATM 1593 O5' 85Y B 15 101.762 41.257 113.416 1.00 38.31 O HETATM 1594 P 85Y B 15 101.026 40.572 112.153 1.00 36.14 P HETATM 1595 OP2 85Y B 15 99.567 40.677 112.461 1.00 32.80 O HETATM 1596 O21 85Y B 15 104.338 44.736 110.884 1.00 32.06 O HETATM 1597 N22 85Y B 15 104.642 47.120 110.592 1.00 25.47 N HETATM 1598 C27 85Y B 15 104.048 47.492 105.540 1.00 33.33 C HETATM 1599 C28 85Y B 15 105.274 47.965 105.928 1.00 37.83 C HETATM 1600 C29 85Y B 15 105.688 47.715 107.222 1.00 34.86 C HETATM 1601 C31 85Y B 15 101.592 46.527 104.786 1.00 36.67 C HETATM 1602 C32 85Y B 15 102.377 47.239 103.880 1.00 31.13 C HETATM 1603 OP1 85Y B 15 101.682 39.231 111.923 1.00 41.88 O ATOM 1604 P DA B 16 102.128 40.527 118.389 1.00 39.73 P ATOM 1605 OP1 DA B 16 100.722 40.146 118.104 1.00 44.50 O ATOM 1606 OP2 DA B 16 102.550 40.716 119.789 1.00 41.71 O ATOM 1607 O5' DA B 16 103.103 39.474 117.681 1.00 40.02 O ATOM 1608 C5' DA B 16 104.488 39.412 118.038 1.00 42.43 C ATOM 1609 C4' DA B 16 105.220 38.430 117.147 1.00 37.86 C ATOM 1610 O4' DA B 16 105.439 39.022 115.840 1.00 34.23 O ATOM 1611 C3' DA B 16 106.609 38.005 117.614 1.00 40.35 C ATOM 1612 O3' DA B 16 106.871 36.711 117.089 1.00 47.49 O ATOM 1613 C2' DA B 16 107.491 39.039 116.937 1.00 31.18 C ATOM 1614 C1' DA B 16 106.824 39.076 115.574 1.00 30.34 C ATOM 1615 N9 DA B 16 107.076 40.282 114.779 1.00 34.17 N ATOM 1616 C8 DA B 16 107.504 40.335 113.483 1.00 30.28 C ATOM 1617 N7 DA B 16 107.605 41.550 113.006 1.00 27.30 N ATOM 1618 C5 DA B 16 107.204 42.351 114.056 1.00 29.68 C ATOM 1619 C6 DA B 16 107.072 43.744 114.178 1.00 30.81 C ATOM 1620 N6 DA B 16 107.364 44.591 113.188 1.00 28.12 N ATOM 1621 N1 DA B 16 106.648 44.231 115.363 1.00 27.25 N ATOM 1622 C2 DA B 16 106.367 43.373 116.351 1.00 30.16 C ATOM 1623 N3 DA B 16 106.440 42.039 116.348 1.00 33.15 N ATOM 1624 C4 DA B 16 106.875 41.590 115.159 1.00 29.65 C ATOM 1625 P DG B 17 107.982 35.742 117.735 1.00 40.03 P ATOM 1626 OP1 DG B 17 107.693 34.407 117.140 1.00 45.54 O ATOM 1627 OP2 DG B 17 108.035 35.931 119.202 1.00 37.65 O ATOM 1628 O5' DG B 17 109.350 36.253 117.136 1.00 35.11 O ATOM 1629 C5' DG B 17 109.575 36.204 115.751 1.00 32.92 C ATOM 1630 C4' DG B 17 110.736 37.096 115.403 1.00 36.86 C ATOM 1631 O4' DG B 17 110.317 38.493 115.413 1.00 39.47 O ATOM 1632 C3' DG B 17 111.916 37.008 116.376 1.00 40.76 C ATOM 1633 O3' DG B 17 113.082 36.879 115.647 1.00 41.06 O ATOM 1634 C2' DG B 17 111.890 38.357 117.106 1.00 38.69 C ATOM 1635 C1' DG B 17 111.343 39.259 116.007 1.00 39.02 C ATOM 1636 N9 DG B 17 110.796 40.531 116.508 1.00 34.52 N ATOM 1637 C8 DG B 17 110.377 40.801 117.791 1.00 34.11 C ATOM 1638 N7 DG B 17 109.947 42.035 117.953 1.00 35.78 N ATOM 1639 C5 DG B 17 110.096 42.612 116.697 1.00 32.82 C ATOM 1640 C6 DG B 17 109.805 43.927 116.257 1.00 32.62 C ATOM 1641 O6 DG B 17 109.338 44.875 116.911 1.00 32.18 O ATOM 1642 N1 DG B 17 110.112 44.100 114.917 1.00 28.42 N ATOM 1643 C2 DG B 17 110.618 43.138 114.095 1.00 28.94 C ATOM 1644 N2 DG B 17 110.845 43.516 112.826 1.00 28.12 N ATOM 1645 N3 DG B 17 110.898 41.896 114.487 1.00 30.32 N ATOM 1646 C4 DG B 17 110.623 41.706 115.799 1.00 29.42 C ATOM 1647 P DA B 18 114.229 35.860 116.126 1.00 49.40 P ATOM 1648 OP1 DA B 18 113.616 34.529 116.273 1.00 45.36 O ATOM 1649 OP2 DA B 18 114.914 36.453 117.299 1.00 54.22 O ATOM 1650 O5' DA B 18 115.203 35.852 114.872 1.00 41.95 O ATOM 1651 C5' DA B 18 114.842 35.131 113.725 1.00 42.88 C ATOM 1652 C4' DA B 18 115.564 35.667 112.512 1.00 47.64 C ATOM 1653 O4' DA B 18 114.856 36.815 112.016 1.00 49.99 O ATOM 1654 C3' DA B 18 116.970 36.184 112.760 1.00 58.38 C ATOM 1655 O3' DA B 18 117.985 35.100 112.819 1.00 69.91 O ATOM 1656 C2' DA B 18 117.172 37.143 111.584 1.00 49.93 C ATOM 1657 C1' DA B 18 115.766 37.736 111.428 1.00 49.08 C ATOM 1658 N9 DA B 18 115.598 39.043 112.077 1.00 41.83 N ATOM 1659 C8 DA B 18 115.032 39.298 113.301 1.00 37.12 C ATOM 1660 N7 DA B 18 115.029 40.571 113.623 1.00 38.77 N ATOM 1661 C5 DA B 18 115.619 41.192 112.533 1.00 35.22 C ATOM 1662 C6 DA B 18 115.912 42.540 112.250 1.00 38.10 C ATOM 1663 N6 DA B 18 115.621 43.559 113.085 1.00 45.19 N ATOM 1664 N1 DA B 18 116.517 42.813 111.075 1.00 36.09 N ATOM 1665 C2 DA B 18 116.795 41.805 110.242 1.00 37.02 C ATOM 1666 N3 DA B 18 116.566 40.506 110.399 1.00 38.29 N ATOM 1667 C4 DA B 18 115.975 40.262 111.575 1.00 34.54 C ATOM 1668 P DG B 19 118.123 33.893 111.739 1.00 83.57 P ATOM 1669 OP1 DG B 19 117.697 32.654 112.435 1.00 57.83 O ATOM 1670 OP2 DG B 19 119.512 33.953 111.232 1.00 70.53 O ATOM 1671 O5' DG B 19 117.125 34.245 110.512 1.00 73.02 O ATOM 1672 C5' DG B 19 117.100 33.439 109.322 1.00 61.77 C ATOM 1673 C4' DG B 19 115.789 32.645 109.177 1.00 63.36 C ATOM 1674 O4' DG B 19 114.748 33.160 110.066 1.00 59.28 O ATOM 1675 C3' DG B 19 115.183 32.647 107.769 1.00 64.06 C ATOM 1676 O3' DG B 19 114.801 31.328 107.390 1.00 70.27 O ATOM 1677 C2' DG B 19 113.963 33.557 107.903 1.00 58.85 C ATOM 1678 C1' DG B 19 113.539 33.311 109.342 1.00 52.97 C ATOM 1679 N9 DG B 19 112.779 34.441 109.900 1.00 54.24 N ATOM 1680 C8 DG B 19 112.985 35.780 109.636 1.00 49.08 C ATOM 1681 N7 DG B 19 112.158 36.572 110.263 1.00 44.26 N ATOM 1682 C5 DG B 19 111.353 35.710 110.992 1.00 44.55 C ATOM 1683 C6 DG B 19 110.280 35.994 111.860 1.00 39.61 C ATOM 1684 O6 DG B 19 109.824 37.094 112.172 1.00 38.20 O ATOM 1685 N1 DG B 19 109.725 34.834 112.394 1.00 42.32 N ATOM 1686 C2 DG B 19 110.161 33.566 112.122 1.00 40.18 C ATOM 1687 N2 DG B 19 109.504 32.576 112.731 1.00 46.21 N ATOM 1688 N3 DG B 19 111.168 33.283 111.311 1.00 39.39 N ATOM 1689 C4 DG B 19 111.716 34.394 110.779 1.00 43.42 C HETATM 1690 C2 85Y B 20 107.320 32.548 105.587 1.00 51.70 C HETATM 1691 C20 85Y B 20 108.328 36.557 104.549 1.00 43.40 C HETATM 1692 C24 85Y B 20 107.106 39.804 105.757 1.00 31.40 C HETATM 1693 C30 85Y B 20 105.717 39.557 109.158 1.00 33.79 C HETATM 1694 C33 85Y B 20 105.589 42.338 108.704 1.00 27.13 C HETATM 1695 C4 85Y B 20 106.849 34.823 105.835 1.00 46.07 C HETATM 1696 C5 85Y B 20 107.965 35.148 104.896 1.00 44.06 C HETATM 1697 C23 85Y B 20 107.662 38.889 104.695 1.00 36.76 C HETATM 1698 C25 85Y B 20 106.666 39.241 106.954 1.00 31.95 C HETATM 1699 C26 85Y B 20 106.163 40.064 107.950 1.00 30.91 C HETATM 1700 O4 85Y B 20 106.132 35.719 106.356 1.00 43.15 O HETATM 1701 N3 85Y B 20 106.590 33.540 106.121 1.00 45.64 N HETATM 1702 O2 85Y B 20 107.071 31.356 105.880 1.00 46.95 O HETATM 1703 C6 85Y B 20 108.695 34.085 104.376 1.00 50.83 C HETATM 1704 N1 85Y B 20 108.383 32.818 104.703 1.00 54.43 N HETATM 1705 C1' 85Y B 20 109.144 31.685 104.144 1.00 56.88 C HETATM 1706 O4' 85Y B 20 110.449 31.589 104.725 1.00 55.25 O HETATM 1707 C2' 85Y B 20 109.323 31.846 102.633 1.00 59.17 C HETATM 1708 C3' 85Y B 20 110.818 31.724 102.387 1.00 63.94 C HETATM 1709 O3' 85Y B 20 111.126 30.755 101.381 1.00 67.04 O HETATM 1710 C4' 85Y B 20 111.379 31.229 103.700 1.00 61.42 C HETATM 1711 C5' 85Y B 20 112.737 31.842 103.980 1.00 64.69 C HETATM 1712 O5' 85Y B 20 112.942 31.692 105.378 1.00 67.16 O HETATM 1713 P 85Y B 20 114.366 31.179 105.900 1.00 67.09 P HETATM 1714 OP2 85Y B 20 115.370 31.552 104.836 1.00 62.11 O HETATM 1715 O21 85Y B 20 108.543 36.782 103.146 1.00 48.25 O HETATM 1716 N22 85Y B 20 107.313 37.501 105.064 1.00 41.05 N HETATM 1717 C27 85Y B 20 106.091 41.521 107.710 1.00 30.45 C HETATM 1718 C28 85Y B 20 106.538 42.037 106.501 1.00 30.89 C HETATM 1719 C29 85Y B 20 107.046 41.182 105.532 1.00 34.13 C HETATM 1720 C31 85Y B 20 105.200 40.423 110.129 1.00 36.90 C HETATM 1721 C32 85Y B 20 105.140 41.799 109.902 1.00 30.26 C HETATM 1722 OP1 85Y B 20 114.178 29.775 106.415 1.00 56.67 O ATOM 1723 P DC B 21 111.336 31.313 99.943 1.00 72.05 P ATOM 1724 OP1 DC B 21 111.284 29.835 99.886 1.00 71.73 O ATOM 1725 OP2 DC B 21 112.613 32.014 100.217 1.00 66.16 O ATOM 1726 O5' DC B 21 110.754 31.865 98.563 1.00 75.34 O ATOM 1727 C5' DC B 21 109.385 32.189 98.453 1.00 71.26 C ATOM 1728 C4' DC B 21 109.233 33.625 98.018 1.00 68.85 C ATOM 1729 O4' DC B 21 107.966 34.142 98.497 1.00 67.58 O ATOM 1730 C3' DC B 21 110.295 34.557 98.578 1.00 67.96 C ATOM 1731 O3' DC B 21 110.525 35.628 97.672 1.00 74.31 O ATOM 1732 C2' DC B 21 109.654 35.040 99.871 1.00 58.21 C ATOM 1733 C1' DC B 21 108.196 35.164 99.442 1.00 64.10 C ATOM 1734 N1 DC B 21 107.214 35.017 100.556 1.00 56.15 N ATOM 1735 C2 DC B 21 106.578 36.154 101.040 1.00 48.27 C ATOM 1736 O2 DC B 21 106.852 37.241 100.537 1.00 47.24 O ATOM 1737 N3 DC B 21 105.683 36.033 102.049 1.00 44.14 N ATOM 1738 C4 DC B 21 105.417 34.838 102.570 1.00 48.21 C ATOM 1739 N4 DC B 21 104.516 34.774 103.566 1.00 38.35 N ATOM 1740 C5 DC B 21 106.056 33.650 102.086 1.00 51.81 C ATOM 1741 C6 DC B 21 106.941 33.787 101.085 1.00 52.60 C ATOM 1742 P DG B 22 111.696 35.509 96.578 1.00 80.03 P ATOM 1743 OP1 DG B 22 112.944 35.125 97.285 1.00 78.34 O ATOM 1744 OP2 DG B 22 111.672 36.740 95.763 1.00 78.11 O ATOM 1745 O5' DG B 22 111.193 34.335 95.610 1.00 73.66 O ATOM 1746 C5' DG B 22 110.449 34.668 94.452 1.00 79.40 C ATOM 1747 C4' DG B 22 109.813 33.455 93.808 1.00 79.93 C ATOM 1748 O4' DG B 22 109.481 32.467 94.811 1.00 79.18 O ATOM 1749 C3' DG B 22 108.494 33.740 93.117 1.00 83.63 C ATOM 1750 O3' DG B 22 108.722 34.257 91.797 1.00 91.76 O ATOM 1751 C2' DG B 22 107.826 32.359 93.089 1.00 80.83 C ATOM 1752 C1' DG B 22 108.426 31.652 94.317 1.00 77.86 C ATOM 1753 N9 DG B 22 107.462 31.410 95.388 1.00 78.19 N ATOM 1754 C8 DG B 22 107.172 30.204 95.971 1.00 77.08 C ATOM 1755 N7 DG B 22 106.270 30.282 96.906 1.00 77.48 N ATOM 1756 C5 DG B 22 105.936 31.630 96.948 1.00 73.98 C ATOM 1757 C6 DG B 22 105.010 32.315 97.772 1.00 67.37 C ATOM 1758 O6 DG B 22 104.282 31.848 98.656 1.00 66.16 O ATOM 1759 N1 DG B 22 104.974 33.679 97.490 1.00 64.33 N ATOM 1760 C2 DG B 22 105.741 34.303 96.534 1.00 70.25 C ATOM 1761 N2 DG B 22 105.574 35.629 96.406 1.00 64.40 N ATOM 1762 N3 DG B 22 106.616 33.673 95.758 1.00 77.55 N ATOM 1763 C4 DG B 22 106.658 32.340 96.018 1.00 76.24 C TER 1764 DG B 22 HETATM 1765 MG MG A 201 106.733 58.022 107.152 1.00 36.44 MG HETATM 1766 NA NA A 202 99.549 57.868 117.005 1.00 27.79 NA HETATM 1767 MG MG A 203 84.943 65.516 106.130 1.00 36.48 MG HETATM 1768 MG MG A 204 85.529 69.718 93.734 1.00 45.55 MG HETATM 1769 MG MG A 205 94.915 67.693 102.053 1.00 42.15 MG HETATM 1770 P PO4 B 101 107.608 35.217 91.280 1.00 97.31 P HETATM 1771 O2 PO4 B 101 107.911 36.689 91.472 1.00 98.26 O HETATM 1772 O3 PO4 B 101 107.777 34.855 89.822 1.00 95.94 O HETATM 1773 O4 PO4 B 101 106.189 34.930 91.715 1.00 88.94 O HETATM 1774 O HOH A 301 77.135 49.687 89.876 1.00 59.25 O HETATM 1775 O HOH A 302 71.511 51.795 91.266 1.00 47.54 O HETATM 1776 O HOH A 303 77.878 45.506 97.591 1.00 54.20 O HETATM 1777 O HOH A 304 87.925 65.158 112.371 1.00 45.06 O HETATM 1778 O HOH A 305 73.987 62.357 88.306 1.00 51.82 O HETATM 1779 O HOH A 306 69.641 58.845 89.972 1.00 40.63 O HETATM 1780 O HOH A 307 72.546 58.684 102.524 1.00 49.85 O HETATM 1781 O HOH A 308 90.732 51.074 91.653 1.00 39.52 O HETATM 1782 O HOH A 309 101.570 66.310 109.278 1.00 38.62 O HETATM 1783 O HOH A 310 109.920 57.919 112.242 1.00 31.44 O HETATM 1784 O HOH A 311 84.347 49.336 99.957 1.00 37.93 O HETATM 1785 O HOH A 312 97.914 56.367 89.834 1.00 44.46 O HETATM 1786 O HOH A 313 101.680 69.445 105.612 1.00 38.38 O HETATM 1787 O HOH A 314 83.733 54.426 108.771 1.00 40.37 O HETATM 1788 O HOH A 315 98.831 59.915 110.202 1.00 25.89 O HETATM 1789 O HOH A 316 75.723 69.834 101.009 1.00 46.82 O HETATM 1790 O HOH A 317 111.341 66.274 104.533 1.00 52.05 O HETATM 1791 O HOH A 318 79.659 60.819 89.111 1.00 37.26 O HETATM 1792 O HOH A 319 79.616 70.303 108.996 1.00 42.95 O HETATM 1793 O HOH A 320 72.482 59.905 97.178 1.00 34.49 O HETATM 1794 O HOH A 321 92.722 77.692 93.425 1.00 43.21 O HETATM 1795 O HOH A 322 99.240 68.259 109.356 1.00 34.64 O HETATM 1796 O HOH A 323 88.636 48.710 105.156 1.00 43.71 O HETATM 1797 O HOH A 324 107.814 56.009 111.532 1.00 27.74 O HETATM 1798 O HOH A 325 80.640 58.827 96.283 1.00 30.31 O HETATM 1799 O HOH A 326 93.460 62.153 98.406 1.00 24.68 O HETATM 1800 O HOH A 327 81.304 52.147 106.364 1.00 48.69 O HETATM 1801 O HOH A 328 102.120 55.502 119.912 1.00 46.46 O HETATM 1802 O HOH A 329 84.902 46.786 97.175 1.00 44.11 O HETATM 1803 O HOH A 330 78.946 70.060 97.222 1.00 38.14 O HETATM 1804 O HOH A 331 97.507 72.939 98.074 1.00 47.49 O HETATM 1805 O HOH A 332 95.557 74.994 94.293 1.00 45.70 O HETATM 1806 O HOH A 333 99.743 59.818 118.429 1.00 33.16 O HETATM 1807 O HOH A 334 95.319 46.056 99.553 1.00 35.79 O HETATM 1808 O HOH A 335 82.653 69.468 111.516 1.00 44.46 O HETATM 1809 O HOH A 336 78.617 50.121 103.785 1.00 46.13 O HETATM 1810 O HOH A 337 87.497 54.892 115.374 1.00 44.70 O HETATM 1811 O HOH A 338 93.009 44.103 105.936 1.00 42.82 O HETATM 1812 O HOH A 339 90.318 73.161 98.972 1.00 29.47 O HETATM 1813 O HOH A 340 98.803 57.227 109.662 1.00 28.76 O HETATM 1814 O HOH A 341 110.788 57.456 102.407 1.00 44.03 O HETATM 1815 O HOH A 342 85.009 77.409 105.668 1.00 41.85 O HETATM 1816 O HOH A 343 79.663 55.232 107.428 1.00 33.14 O HETATM 1817 O HOH A 344 107.800 54.536 100.723 1.00 45.68 O HETATM 1818 O HOH A 345 93.828 74.416 109.138 1.00 32.84 O HETATM 1819 O HOH A 346 99.976 68.397 94.936 1.00 59.55 O HETATM 1820 O HOH A 347 92.639 67.271 111.838 1.00 37.07 O HETATM 1821 O HOH A 348 79.983 53.975 88.279 1.00 56.97 O HETATM 1822 O HOH A 349 100.064 72.076 100.370 1.00 40.49 O HETATM 1823 O HOH A 350 105.818 57.552 93.953 1.00 46.58 O HETATM 1824 O HOH A 351 93.637 57.263 116.703 1.00 35.22 O HETATM 1825 O HOH A 352 96.127 75.409 97.524 1.00 40.08 O HETATM 1826 O HOH A 353 88.697 57.654 114.260 1.00 36.53 O HETATM 1827 O HOH A 354 92.758 58.875 84.647 1.00 51.45 O HETATM 1828 O HOH A 355 93.213 77.837 103.601 1.00 40.10 O HETATM 1829 O HOH A 356 74.639 59.875 105.758 1.00 51.67 O HETATM 1830 O HOH A 357 96.238 63.453 113.042 1.00 27.74 O HETATM 1831 O HOH A 358 89.583 64.200 110.635 1.00 36.62 O HETATM 1832 O HOH A 359 79.175 67.125 111.762 1.00 50.55 O HETATM 1833 O HOH A 360 77.164 57.290 115.074 1.00 51.10 O HETATM 1834 O HOH A 361 70.916 57.891 98.095 1.00 39.08 O HETATM 1835 O HOH A 362 75.049 59.160 112.450 1.00 50.60 O HETATM 1836 O HOH A 363 95.935 72.375 95.002 1.00 46.45 O HETATM 1837 O HOH A 364 94.625 68.888 88.748 1.00 36.71 O HETATM 1838 O HOH A 365 103.282 59.356 91.157 1.00 50.58 O HETATM 1839 O HOH A 366 98.015 48.628 97.590 1.00 32.31 O HETATM 1840 O HOH A 367 87.491 47.063 100.518 1.00 39.44 O HETATM 1841 O HOH A 368 108.135 63.053 98.083 1.00 44.32 O HETATM 1842 O HOH A 369 69.718 57.458 105.764 1.00 60.47 O HETATM 1843 O HOH A 370 106.977 61.177 117.105 1.00 39.32 O HETATM 1844 O HOH A 371 95.356 49.315 93.486 1.00 47.51 O HETATM 1845 O HOH A 372 92.020 68.406 84.397 1.00 53.08 O HETATM 1846 O HOH A 373 83.670 56.198 89.756 1.00 41.89 O HETATM 1847 O HOH A 374 91.845 46.033 103.689 1.00 44.02 O HETATM 1848 O HOH A 375 98.612 64.770 115.147 0.50 27.57 O HETATM 1849 O HOH A 376 96.193 75.590 107.703 1.00 42.45 O HETATM 1850 O HOH A 377 80.691 56.010 88.655 1.00 51.53 O HETATM 1851 O HOH A 378 106.264 64.681 97.814 1.00 44.92 O HETATM 1852 O HOH A 379 83.841 52.294 106.737 1.00 47.48 O HETATM 1853 O HOH A 380 98.646 74.742 108.510 1.00 47.03 O HETATM 1854 O HOH A 381 81.123 59.417 88.258 1.00 45.29 O HETATM 1855 O HOH A 382 109.409 53.562 111.200 1.00 36.42 O HETATM 1856 O HOH A 383 79.708 70.011 111.842 1.00 60.70 O HETATM 1857 O HOH A 384 107.928 52.807 105.108 1.00 51.27 O HETATM 1858 O HOH A 385 76.539 55.791 116.270 1.00 59.65 O HETATM 1859 O HOH A 386 111.466 58.058 110.371 1.00 55.26 O HETATM 1860 O HOH A 387 95.430 80.080 95.432 1.00 49.36 O HETATM 1861 O HOH A 388 96.621 76.934 95.782 1.00 45.32 O HETATM 1862 O HOH A 389 93.683 64.843 113.298 1.00 37.53 O HETATM 1863 O HOH A 390 96.432 78.118 93.675 1.00 48.07 O HETATM 1864 O HOH A 391 98.352 49.588 95.254 1.00 45.80 O HETATM 1865 O HOH B 201 106.070 29.759 107.422 1.00 39.86 O HETATM 1866 O HOH B 202 106.316 38.703 97.841 1.00 53.20 O HETATM 1867 O HOH B 203 98.813 45.385 105.978 1.00 39.34 O HETATM 1868 O HOH B 204 114.046 27.924 108.079 1.00 59.95 O HETATM 1869 O HOH B 205 114.314 45.608 106.381 1.00 50.42 O HETATM 1870 O HOH B 206 98.364 40.995 114.682 1.00 37.05 O HETATM 1871 O HOH B 207 89.314 44.858 114.661 1.00 35.97 O HETATM 1872 O HOH B 208 103.865 32.395 104.360 1.00 42.85 O HETATM 1873 O HOH B 209 116.630 45.690 115.987 1.00 35.44 O HETATM 1874 O HOH B 210 98.817 41.562 117.006 1.00 44.65 O HETATM 1875 O HOH B 211 92.235 40.908 112.025 1.00 41.20 O HETATM 1876 O HOH B 212 107.216 37.475 111.869 1.00 39.90 O HETATM 1877 O HOH B 213 109.934 55.032 119.877 1.00 42.01 O HETATM 1878 O HOH B 214 109.218 50.913 119.354 1.00 35.32 O HETATM 1879 O HOH B 215 112.342 53.693 121.118 1.00 50.69 O HETATM 1880 O HOH B 216 109.053 42.776 120.460 1.00 39.69 O HETATM 1881 O HOH B 217 116.224 48.855 119.753 1.00 32.60 O HETATM 1882 O HOH B 218 102.217 54.389 121.609 1.00 51.01 O HETATM 1883 O HOH B 219 111.067 42.157 104.424 1.00 44.35 O HETATM 1884 O HOH B 220 87.342 53.463 111.920 1.00 34.14 O HETATM 1885 O HOH B 221 113.188 56.957 113.661 1.00 41.21 O HETATM 1886 O HOH B 222 97.401 57.472 117.254 1.00 26.77 O HETATM 1887 O HOH B 223 107.507 42.094 100.065 1.00 43.78 O HETATM 1888 O HOH B 224 99.536 46.443 118.710 1.00 46.30 O HETATM 1889 O HOH B 225 118.221 45.053 110.315 1.00 51.63 O HETATM 1890 O HOH B 226 108.591 46.007 119.499 1.00 41.07 O HETATM 1891 O HOH B 227 114.095 55.941 118.076 1.00 43.38 O HETATM 1892 O HOH B 228 94.607 55.375 118.457 1.00 35.11 O HETATM 1893 O HOH B 229 106.409 37.527 93.884 1.00 62.54 O HETATM 1894 O HOH B 230 100.465 44.739 102.056 1.00 41.52 O HETATM 1895 O HOH B 231 107.309 34.102 114.057 1.00 54.40 O HETATM 1896 O HOH B 232 96.131 51.100 124.152 1.00 48.98 O HETATM 1897 O HOH B 233 111.142 45.906 120.389 1.00 40.97 O HETATM 1898 O HOH B 234 111.676 48.637 121.170 1.00 44.37 O HETATM 1899 O HOH B 235 109.464 38.430 120.218 1.00 49.26 O HETATM 1900 O HOH B 236 108.723 47.288 110.653 1.00 42.47 O HETATM 1901 O HOH B 237 92.227 53.036 121.513 1.00 29.97 O HETATM 1902 O HOH B 238 92.304 44.398 119.046 1.00 52.74 O HETATM 1903 O HOH B 239 106.714 42.115 119.439 1.00 42.34 O HETATM 1904 O HOH B 240 97.856 41.818 103.934 1.00 48.13 O HETATM 1905 O HOH B 241 104.020 45.157 120.239 1.00 42.23 O HETATM 1906 O HOH B 242 105.225 30.167 103.555 1.00 51.09 O HETATM 1907 O HOH B 243 114.351 50.768 122.488 1.00 48.46 O HETATM 1908 O HOH B 244 106.805 28.123 105.107 1.00 42.92 O HETATM 1909 O HOH B 245 99.237 56.101 118.924 1.00 43.08 O HETATM 1910 O HOH B 246 85.665 52.770 114.285 1.00 49.22 O HETATM 1911 O HOH B 247 108.365 49.060 109.604 1.00 35.64 O HETATM 1912 O HOH B 248 106.937 45.672 120.627 1.00 45.97 O HETATM 1913 O HOH B 249 96.435 39.920 114.727 1.00 42.68 O HETATM 1914 O HOH B 250 99.897 43.605 103.967 1.00 44.94 O HETATM 1915 O HOH B 251 114.694 48.632 121.942 1.00 56.49 O HETATM 1916 O HOH B 252 108.302 49.891 122.004 1.00 46.20 O HETATM 1917 O HOH B 253 107.552 50.362 106.050 1.00 47.77 O HETATM 1918 O HOH B 254 107.223 39.699 121.017 1.00 47.06 O CONECT 19 1765 CONECT 455 1766 CONECT 460 1766 CONECT 659 1768 CONECT 796 1769 CONECT 812 1769 CONECT 942 1769 CONECT 1002 1767 CONECT 1074 1768 CONECT 1136 1767 CONECT 1240 1277 CONECT 1254 1265 1266 1268 CONECT 1255 1260 1279 1280 CONECT 1256 1261 1262 1283 CONECT 1257 1263 1284 CONECT 1258 1281 1285 CONECT 1259 1260 1264 1265 CONECT 1260 1255 1259 1267 CONECT 1261 1256 1280 CONECT 1262 1256 1263 CONECT 1263 1257 1262 1281 CONECT 1264 1259 CONECT 1265 1254 1259 CONECT 1266 1254 CONECT 1267 1260 1268 CONECT 1268 1254 1267 1269 CONECT 1269 1268 1270 1271 CONECT 1270 1269 1274 CONECT 1271 1269 1272 CONECT 1272 1271 1273 1274 CONECT 1273 1272 1287 CONECT 1274 1270 1272 1275 CONECT 1275 1274 1276 CONECT 1276 1275 1277 CONECT 1277 1240 1276 1278 1286 CONECT 1278 1277 CONECT 1279 1255 CONECT 1280 1255 1261 CONECT 1281 1258 1263 1282 CONECT 1282 1281 1283 CONECT 1283 1256 1282 CONECT 1284 1257 1285 CONECT 1285 1258 1284 CONECT 1286 1277 CONECT 1287 1273 CONECT 1338 1375 CONECT 1352 1363 1364 1366 CONECT 1353 1358 1377 1378 CONECT 1354 1359 1360 1381 CONECT 1355 1361 1382 CONECT 1356 1379 1383 CONECT 1357 1358 1362 1363 CONECT 1358 1353 1357 1365 CONECT 1359 1354 1378 CONECT 1360 1354 1361 CONECT 1361 1355 1360 1379 CONECT 1362 1357 CONECT 1363 1352 1357 CONECT 1364 1352 CONECT 1365 1358 1366 CONECT 1366 1352 1365 1367 CONECT 1367 1366 1368 1369 CONECT 1368 1367 1372 CONECT 1369 1367 1370 CONECT 1370 1369 1371 1372 CONECT 1371 1370 1408 CONECT 1372 1368 1370 1373 CONECT 1373 1372 1374 CONECT 1374 1373 1375 CONECT 1375 1338 1374 1376 1384 CONECT 1376 1375 CONECT 1377 1353 1766 CONECT 1378 1353 1359 CONECT 1379 1356 1361 1380 CONECT 1380 1379 1381 CONECT 1381 1354 1380 CONECT 1382 1355 1383 CONECT 1383 1356 1382 CONECT 1384 1375 CONECT 1385 1396 1397 1399 CONECT 1386 1391 1410 1411 CONECT 1387 1392 1393 1414 CONECT 1388 1394 1415 CONECT 1389 1412 1416 CONECT 1390 1391 1395 1396 CONECT 1391 1386 1390 1398 CONECT 1392 1387 1411 CONECT 1393 1387 1394 CONECT 1394 1388 1393 1412 CONECT 1395 1390 CONECT 1396 1385 1390 CONECT 1397 1385 CONECT 1398 1391 1399 CONECT 1399 1385 1398 1400 CONECT 1400 1399 1401 1402 CONECT 1401 1400 1405 CONECT 1402 1400 1403 CONECT 1403 1402 1404 1405 CONECT 1404 1403 1418 CONECT 1405 1401 1403 1406 CONECT 1406 1405 1407 CONECT 1407 1406 1408 CONECT 1408 1371 1407 1409 1417 CONECT 1409 1408 CONECT 1410 1386 CONECT 1411 1386 1392 CONECT 1412 1389 1394 1413 CONECT 1413 1412 1414 CONECT 1414 1387 1413 CONECT 1415 1388 1416 CONECT 1416 1389 1415 CONECT 1417 1408 CONECT 1418 1404 CONECT 1426 1462 CONECT 1439 1450 1451 1453 CONECT 1440 1445 1464 1465 CONECT 1441 1446 1447 1468 CONECT 1442 1448 1469 CONECT 1443 1466 1470 CONECT 1444 1445 1449 1450 CONECT 1445 1440 1444 1452 CONECT 1446 1441 1465 CONECT 1447 1441 1448 CONECT 1448 1442 1447 1466 CONECT 1449 1444 CONECT 1450 1439 1444 CONECT 1451 1439 CONECT 1452 1445 1453 CONECT 1453 1439 1452 1454 CONECT 1454 1453 1455 1456 CONECT 1455 1454 1459 CONECT 1456 1454 1457 CONECT 1457 1456 1458 1459 CONECT 1458 1457 1472 CONECT 1459 1455 1457 1460 CONECT 1460 1459 1461 CONECT 1461 1460 1462 CONECT 1462 1426 1461 1463 1471 CONECT 1463 1462 CONECT 1464 1440 CONECT 1465 1440 1446 CONECT 1466 1443 1448 1467 CONECT 1467 1466 1468 CONECT 1468 1441 1467 CONECT 1469 1442 1470 CONECT 1470 1443 1469 CONECT 1471 1462 CONECT 1472 1458 CONECT 1524 1561 CONECT 1538 1549 1550 1552 CONECT 1539 1544 1563 1564 CONECT 1540 1545 1546 1567 CONECT 1541 1547 1568 CONECT 1542 1565 1569 CONECT 1543 1544 1548 1549 CONECT 1544 1539 1543 1551 CONECT 1545 1540 1564 CONECT 1546 1540 1547 CONECT 1547 1541 1546 1565 CONECT 1548 1543 CONECT 1549 1538 1543 CONECT 1550 1538 CONECT 1551 1544 1552 CONECT 1552 1538 1551 1553 CONECT 1553 1552 1554 1555 CONECT 1554 1553 1558 CONECT 1555 1553 1556 CONECT 1556 1555 1557 1558 CONECT 1557 1556 1594 CONECT 1558 1554 1556 1559 CONECT 1559 1558 1560 CONECT 1560 1559 1561 CONECT 1561 1524 1560 1562 1570 CONECT 1562 1561 CONECT 1563 1539 CONECT 1564 1539 1545 CONECT 1565 1542 1547 1566 CONECT 1566 1565 1567 CONECT 1567 1540 1566 CONECT 1568 1541 1569 CONECT 1569 1542 1568 CONECT 1570 1561 CONECT 1571 1582 1583 1585 CONECT 1572 1577 1596 1597 CONECT 1573 1578 1579 1600 CONECT 1574 1580 1601 CONECT 1575 1598 1602 CONECT 1576 1577 1581 1582 CONECT 1577 1572 1576 1584 CONECT 1578 1573 1597 CONECT 1579 1573 1580 CONECT 1580 1574 1579 1598 CONECT 1581 1576 CONECT 1582 1571 1576 CONECT 1583 1571 CONECT 1584 1577 1585 CONECT 1585 1571 1584 1586 CONECT 1586 1585 1587 1588 CONECT 1587 1586 1591 CONECT 1588 1586 1589 CONECT 1589 1588 1590 1591 CONECT 1590 1589 1604 CONECT 1591 1587 1589 1592 CONECT 1592 1591 1593 CONECT 1593 1592 1594 CONECT 1594 1557 1593 1595 1603 CONECT 1595 1594 CONECT 1596 1572 CONECT 1597 1572 1578 CONECT 1598 1575 1580 1599 CONECT 1599 1598 1600 CONECT 1600 1573 1599 CONECT 1601 1574 1602 CONECT 1602 1575 1601 CONECT 1603 1594 CONECT 1604 1590 CONECT 1676 1713 CONECT 1690 1701 1702 1704 CONECT 1691 1696 1715 1716 CONECT 1692 1697 1698 1719 CONECT 1693 1699 1720 CONECT 1694 1717 1721 CONECT 1695 1696 1700 1701 CONECT 1696 1691 1695 1703 CONECT 1697 1692 1716 CONECT 1698 1692 1699 CONECT 1699 1693 1698 1717 CONECT 1700 1695 CONECT 1701 1690 1695 CONECT 1702 1690 CONECT 1703 1696 1704 CONECT 1704 1690 1703 1705 CONECT 1705 1704 1706 1707 CONECT 1706 1705 1710 CONECT 1707 1705 1708 CONECT 1708 1707 1709 1710 CONECT 1709 1708 1723 CONECT 1710 1706 1708 1711 CONECT 1711 1710 1712 CONECT 1712 1711 1713 CONECT 1713 1676 1712 1714 1722 CONECT 1714 1713 CONECT 1715 1691 CONECT 1716 1691 1697 CONECT 1717 1694 1699 1718 CONECT 1718 1717 1719 CONECT 1719 1692 1718 CONECT 1720 1693 1721 CONECT 1721 1694 1720 CONECT 1722 1713 CONECT 1723 1709 CONECT 1750 1770 CONECT 1765 19 CONECT 1766 455 460 1377 1806 CONECT 1766 1886 1909 CONECT 1767 1002 1136 CONECT 1768 659 1074 CONECT 1769 796 812 942 CONECT 1770 1750 1771 1772 1773 CONECT 1771 1770 CONECT 1772 1770 CONECT 1773 1770 CONECT 1806 1766 CONECT 1886 1766 CONECT 1909 1766 MASTER 402 0 13 2 14 0 11 6 1916 2 265 15 END
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Related entries of code: 5uc6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5uc6
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Interleukin-1 alpha
Ligand Name
SL1067 DNA
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=7.3nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nat Commun Vol. 8: pp. 810-810
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P01583
Entrez Gene ID
NCBI Entrez Gene ID:
3552
ASD
Information of known allosteric effects of PDB entries
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