HEADER COMPLEX (TRANSCRIPTION REGULATION/DNA) 22-APR-98 6CRO TITLE CRYSTAL STRUCTURE OF LAMBDA-CRO BOUND TO A CONSENSUS TITLE 2 OPERATOR AT 3.0 ANGSTROM RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: CRO; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 BIOLOGICAL_UNIT: DIMER; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: 19 BP DNA DUPLEX WITH SINGLE-BASE 5'-OVERHANGS; COMPND 8 CHAIN: R, S, T, U; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE LAMBDA; SOURCE 3 ORGANISM_COMMON: PHAGE LAMBDA; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: SEQUENCE CONTAINS THE 17 BASE PAIR SOURCE 7 CONSENSUS-OPERATOR FOR CRO KEYWDS COMPLEX (TRANSCRIPTION REGULATION/DNA), CRO, BACTERIOPHAGE KEYWDS 2 LAMBDA, CONFORMATIONAL CHANGE, REPRESSOR, HELIX-TURN-HELIX EXPDTA X-RAY DIFFRACTION AUTHOR R.A.ALBRIGHT,B.W.MATTHEWS REVDAT 1 16-SEP-98 6CRO 0 JRNL AUTH R.A.ALBRIGHT,B.W.MATTHEWS JRNL TITL CRYSTAL STRUCTURE OF LAMBDA-CRO BOUND TO A JRNL TITL 2 CONSENSUS OPERATOR AT 3.0 A RESOLUTION JRNL REF J.MOL.BIOL. V. 280 137 1998 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.A.ALBRIGHT,M.C.MOSSING,B.W.MATTHEWS REMARK 1 TITL CRYSTAL STRUCTURE OF AN ENGINEERED CRO MONOMER REMARK 1 TITL 2 BOUND NONSPECIFICALLY TO DNA: POSSIBLE IMPLICATIONS REMARK 1 TITL 3 FOR NONSPECIFIC BINDING BY THE WILD-TYPE PROTEIN REMARK 1 REF PROTEIN SCI. V. 7 1485 1998 REMARK 1 REFN ASTM PRCIEI US ISSN 0961-8368 0795 REMARK 1 REFERENCE 2 REMARK 1 AUTH D.H.OHLENDORF,D.E.TRONRUD,B.W.MATTHEWS REMARK 1 TITL REFINED STRUCTURE OF CRO REPRESSOR PROTEIN FROM REMARK 1 TITL 2 BACTERIOPHAGE LAMBDA SUGGESTS BOTH FLEXIBILITY AND REMARK 1 TITL 3 PLASTICITY REMARK 1 REF J.MOL.BIOL. V. 280 129 1998 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REFERENCE 3 REMARK 1 AUTH R.A.ALBRIGHT,B.W.MATTHEWS REMARK 1 TITL HOW CRO AND LAMBDA-REPRESSOR DISTINGUISH BETWEEN REMARK 1 TITL 2 OPERATORS: THE STRUCTURAL BASIS UNDERLYING A REMARK 1 TITL 3 GENETIC SWITCH REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 95 3431 1998 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 0040 REMARK 1 REFERENCE 4 REMARK 1 AUTH R.G.BRENNAN,S.L.RODERICK,Y.TAKEDA,B.W.MATTHEWS REMARK 1 TITL PROTEIN-DNA CONFORMATIONAL CHANGES IN THE CRYSTAL REMARK 1 TITL 2 STRUCTURE OF A LAMBDA CRO-OPERATOR COMPLEX REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 87 8165 1990 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 0040 REMARK 2 REMARK 2 RESOLUTION. 3.0 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT 5EB REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 3.0 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 3758 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.194 REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 132786 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 472 REMARK 3 NUCLEIC ACID ATOMS : 464 REMARK 3 OTHER ATOMS : 12 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : 40.8 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.014 ; 1.60 ; 1006 REMARK 3 BOND ANGLES (DEGREES) : 2.587 ; 2.30 ; 1456 REMARK 3 TORSION ANGLES (DEGREES) : 23.244; 0.20 ; 531 REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.011 ; 2.20 ; 12 REMARK 3 GENERAL PLANES (A) : 0.016 ; 6.60 ; 95 REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 1.811 ; 34.00 ; 1058 REMARK 3 NON-BONDED CONTACTS (A) : 0.033 ; 10.00 ; 51 REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : 0 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : BABINET REMARK 3 KSOL : 0.50 REMARK 3 BSOL : 160 REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : TNT PROTGEO & NUCLGEO REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS: TNT BCORREL REMARK 3 (MODIFIED TO INCLUDE DNA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THIS MODEL UNDERWENT ONE FINAL REMARK 3 ROUND OF REFINEMENT AFTER THE MANUSCRIPT WAS SUBMITTED. REMARK 4 REMARK 4 6CRO COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 6 REMARK 6 THE PSEUDO-DYAD OF THE COMPLEX IS COINCIDENT WITH A REMARK 6 CRYSTALLOGRAPHIC TWO-FOLD AXIS, SUCH THAT THE COMPLEX IS REMARK 6 EVENLY-DISTRIBUTED BETWEEN TWO ORIENTATIONS RELATED BY A REMARK 6 180-DEGREE ROTATION. THE SPACE GROUP IS I 21 3 WITH A REMARK 6 SINGLE CRO SUBUNIT AND AN "AVERAGED" DNA HALF-FRAGMENT PER REMARK 6 ASU. THIS AVERAGING AFFECTED ONLY THOSE BP IDENTITIES REMARK 6 WHERE THE SEQUENCE PALINDROME BREAKS DOWN, WHICH OCCURS REMARK 6 ONLY IN REGIONS NOT CONTACTED BY CRO. THE PROTEIN, DNA REMARK 6 BACKBONE, AND THOSE BPS DIRECTLY CONTACTED BY CRO ARE REMARK 6 EVERYWHERE "NORMAL". THE AVERAGED BASES CONSISTED OF THE REMARK 6 TWO COMPONENT BASES AT A GIVEN POSITION, EACH BONDED TO REMARK 6 THE SAME RIBOSE, BUT ALLOWED TO IGNORE THE PRESENCE OF EACH REMARK 6 OTHER DURING REFINEMENT. REMARK 7 REMARK 7 THIS ENTRY CONTAINS THE COMPLETE ASYMMETRIC UNIT. THE REMARK 7 PROTEIN CHAIN IS PRESENTED AS CHAIN A WITH OCCUPANCY 1.0. REMARK 7 THE 10-RESIDUE LONG DNA DUPLEX IS DISORDERED WITH EACH REMARK 7 CONFORMATION HAVING OCCUPANCY 0.5. DNA CHAINS R AND S REMARK 7 PRESENT ONE CONFORMATION AND DNA CHAINS T AND U PRESENT THE REMARK 7 OTHER CONFORMATION. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : FEB-1993 REMARK 200 TEMPERATURE (KELVIN) : 295 REMARK 200 PH : 6.9 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE CRYSTAL REMARK 200 OPTICS : COLLIMATOR REMARK 200 REMARK 200 DETECTOR TYPE : XUONG-HAMLIN MULTIWIRE REMARK 200 DETECTOR MANUFACTURER : SAN DIEGO MULTIWIRE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SDMS SOFTWARE SUITE REMARK 200 DATA SCALING SOFTWARE : SDMS SOFTWARE SUITE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 3758 REMARK 200 RESOLUTION RANGE HIGH (A) : 3.0 REMARK 200 RESOLUTION RANGE LOW (A) : 20.0 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NONE REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 17.7 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.072 REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 3.0 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIR, WITH REMARK 200 SUBSEQUENT MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: VERIFY (RODERICK), EDPDB (ZHANG) REMARK 200 STARTING MODEL: TRUNCATED VERSION OF THE PREVIOUS REMARK 200 LOW-RESOLUTION COMPLEX STRUCTURE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): NULL REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.3 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRO PROTEIN WAS SUSPENDED IN REMARK 280 20MM SODIUM CACODYLATE PH6.9 THEN MIXED WITH A 30% EXCESS REMARK 280 OF THE 19BP DNA FRAGMENT. THE COMPLEX WAS THEN MIXED WITH REMARK 280 AN EQUAL VOLUME OF PRECIPITANT SOLUTION (70MM AMMONIUM REMARK 280 SULFATE, 13% PEG3350) AND ALLOWED TO EQUILIBRATE VIA THE REMARK 280 HANGING DROP METHOD AT ROOM TEMPERATURE. COCRYSTALS REMARK 280 TYPICALLY TAKE 3-4 MONTHS TO APPEAR. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 3 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 1/2-X,-Y,1/2+Z REMARK 290 3555 -X,1/2+Y,1/2-Z REMARK 290 4555 1/2+X,1/2-Y,-Z REMARK 290 5555 Z,X,Y REMARK 290 6555 1/2+Z,1/2-X,-Y REMARK 290 7555 1/2-Z,-X,1/2+Y REMARK 290 8555 -Z,1/2+X,1/2-Y REMARK 290 9555 Y,Z,X REMARK 290 10555 -Y,1/2+Z,1/2-X REMARK 290 11555 1/2+Y,1/2-Z,-X REMARK 290 12555 1/2-Y,-Z,1/2+X REMARK 290 13555 1/2+X,1/2+Y,1/2+Z REMARK 290 14555 -X,1/2-Y,Z REMARK 290 15555 1/2-X,Y,-Z REMARK 290 16555 X,-Y,1/2-Z REMARK 290 17555 1/2+Z,1/2+X,1/2+Y REMARK 290 18555 Z,-X,1/2-Y REMARK 290 19555 -Z,1/2-X,Y REMARK 290 20555 1/2-Z,X,-Y REMARK 290 21555 1/2+Y,1/2+Z,1/2+X REMARK 290 22555 1/2-Y,Z,-X REMARK 290 23555 Y,-Z,1/2-X REMARK 290 24555 -Y,1/2-Z,X REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.48270 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 51.48270 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.48270 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 51.48270 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 6 0.000000 0.000000 1.000000 51.48270 REMARK 290 SMTRY2 6 -1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY3 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 7 0.000000 0.000000 -1.000000 51.48270 REMARK 290 SMTRY2 7 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 1.000000 0.000000 51.48270 REMARK 290 SMTRY1 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 8 1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY3 8 0.000000 -1.000000 0.000000 51.48270 REMARK 290 SMTRY1 9 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 9 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 9 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 10 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 10 0.000000 0.000000 1.000000 51.48270 REMARK 290 SMTRY3 10 -1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY1 11 0.000000 1.000000 0.000000 51.48270 REMARK 290 SMTRY2 11 0.000000 0.000000 -1.000000 51.48270 REMARK 290 SMTRY3 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 12 0.000000 -1.000000 0.000000 51.48270 REMARK 290 SMTRY2 12 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 12 1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 51.48270 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 51.48270 REMARK 290 SMTRY1 14 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 51.48270 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 15 -1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY2 15 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 16 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 16 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 51.48270 REMARK 290 SMTRY1 17 0.000000 0.000000 1.000000 51.48270 REMARK 290 SMTRY2 17 1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY3 17 0.000000 1.000000 0.000000 51.48270 REMARK 290 SMTRY1 18 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY2 18 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 18 0.000000 -1.000000 0.000000 51.48270 REMARK 290 SMTRY1 19 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY2 19 -1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY3 19 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY1 20 0.000000 0.000000 -1.000000 51.48270 REMARK 290 SMTRY2 20 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 20 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY1 21 0.000000 1.000000 0.000000 51.48270 REMARK 290 SMTRY2 21 0.000000 0.000000 1.000000 51.48270 REMARK 290 SMTRY3 21 1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY1 22 0.000000 -1.000000 0.000000 51.48270 REMARK 290 SMTRY2 22 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY3 22 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY1 23 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 23 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY3 23 -1.000000 0.000000 0.000000 51.48270 REMARK 290 SMTRY1 24 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 24 0.000000 0.000000 -1.000000 51.48270 REMARK 290 SMTRY3 24 1.000000 0.000000 0.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 THE BIOMOLECULE IS GENERATED BY APPLYING THE TWO-FOLD REMARK 300 ROTATION PROVIDED IN REMARK 350. REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 APPLY THE FOLLOWING TO CHAINS: A, R, S, T, U REMARK 350 BIOMT1 6 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 6 0.000000 -1.000000 0.000000 102.97000 REMARK 350 BIOMT3 6 0.000000 0.000000 -1.000000 154.45500 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 S SO4 400 REMARK 375 O1 SO4 400 REMARK 375 REMARK 375 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 O2 SO4 400 O3 SO4 400 8656 0.01 REMARK 500 O4 SO4 400 O2 SO4 400 8656 0.01 REMARK 500 O3 SO4 400 O4 SO4 400 8656 0.01 REMARK 500 O6 G S 11 O6 G S 11 16566 0.53 REMARK 500 N1 G S 11 N1 G S 11 16566 0.63 REMARK 500 N2 G S 11 N2 G S 11 16566 0.79 REMARK 500 O1 SO4 400 S SO4 400 8656 1.45 REMARK 500 O3 SO4 400 S SO4 400 8656 1.49 REMARK 500 O2 SO4 400 S SO4 400 8656 1.50 REMARK 500 O4 SO4 400 S SO4 400 8656 1.51 REMARK 500 O6 G S 11 C6 G S 11 16566 1.57 REMARK 500 P G S 11 O3* G R 10 16566 1.61 REMARK 500 O3* C U 10 P C T 11 16566 1.61 REMARK 500 N2 G S 11 C2 G S 11 16566 1.61 REMARK 500 N1 G S 11 C6 G S 11 16566 1.71 REMARK 500 C2 G S 11 N1 G S 11 16566 1.74 REMARK 500 C6 G S 11 C6 G S 11 16566 1.84 REMARK 500 C2 G S 11 C2 G S 11 16566 1.89 REMARK 500 REMARK 500 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: AUTHOR-DETERMINED REMARK 650 HELIX_ID: H3, 2ND HELIX OF THE HTH UNIT, COMMONLY KNOWN REMARK 650 AS THE "RECOGNITION" HELIX. REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: AUTHOR-DETERMINED REMARK 700 STRAND: S3 1; S3 ALSO FORMS AN ANTI-PARALLEL BETA-RIBBON REMARK 700 WITH ITS COUNTERPART (S3') OF THE OTHER MONOMER ALONG THE REMARK 700 HOMODIMER INTERFACE. REMARK 750 REMARK 750 TURN REMARK 750 DETERMINATION METHOD: AUTHOR-DETERMINED REMARK 750 TURN_ID: T1, TIGHT, RIGID TURN BETWEEN H1 AND H2. REMARK 750 TURN_ID: T2, TURN OF THE HTH UNIT, BETWEEN H2 AND H3. REMARK 750 TURN_ID: T5, HOOK-LIKE STRUCTURE FOLLOWING S3, ALLOWS THE REMARK 750 DONATION OF PHE 58 - THE CORE OF THE PARTNER SUBUNIT OF REMARK 750 THE HOMODIMER. REMARK 999 REMARK 999 SEQUENCE REMARK 999 6CRO A SWS P03040 1 - 1 NOT IN ATOMS LIST REMARK 999 6CRO A SWS P03040 62 - 66 NOT IN ATOMS LIST DBREF 6CRO A 2 61 SWS P03040 RCRO_LAMBD 2 61 DBREF 6CRO R 1 10 PDB 6CRO 6CRO 1 10 DBREF 6CRO S 11 20 PDB 6CRO 6CRO 11 20 DBREF 6CRO T 11 20 PDB 6CRO 6CRO 11 20 DBREF 6CRO U 1 10 PDB 6CRO 6CRO 1 10 SEQRES 1 A 60 GLU GLN ARG ILE THR LEU LYS ASP TYR ALA MET ARG PHE SEQRES 2 A 60 GLY GLN THR LYS THR ALA LYS ASP LEU GLY VAL TYR GLN SEQRES 3 A 60 SER ALA ILE ASN LYS ALA ILE HIS ALA GLY ARG LYS ILE SEQRES 4 A 60 PHE LEU THR ILE ASN ALA ASP GLY SER VAL TYR ALA GLU SEQRES 5 A 60 GLU VAL LYS PRO PHE PRO SER ASN SEQRES 1 R 10 A C T A T C A C C G SEQRES 1 S 10 G C G G T G A T A G SEQRES 1 T 10 C G G G T G A T A C SEQRES 1 U 10 T G T A T C A C C C HET SO4 400 5 HETNAM SO4 SULFATE ION FORMUL 6 SO4 O4 S1 2- FORMUL 7 HOH *7(H2 O1) HELIX 1 1 LEU A 7 PHE A 14 1 8 HELIX 2 2 GLN A 16 LEU A 23 1 8 HELIX 3 3 GLN A 27 ALA A 36 1 10 SHEET 1 A 3 ARG A 4 THR A 6 0 SHEET 2 A 3 LYS A 39 ILE A 44 -1 N LEU A 42 O ILE A 5 SHEET 3 A 3 VAL A 50 VAL A 55 -1 N VAL A 55 O LYS A 39 TURN 1 T1 GLY A 15 GLY A 15 TURN 2 T2 GLY A 24 TYR A 26 TURN 3 T3 GLY A 37 ARG A 38 SHORT LOOP FOLLOWING H3 TURN 4 T4 ALA A 46 GLY A 48 SOLVENT-EXPOSED S2S3-HAIRPIN TURN 5 T5 PRO A 57 PRO A 59 LINK O3* G R 10 P C T 11 16566 LINK O3* C U 10 P G S 11 16566 CISPEP 1 GLU A 2 GLN A 3 0 -2.99 CISPEP 2 PHE A 58 PRO A 59 0 2.60 CRYST1 102.970 102.970 102.970 90.00 90.00 90.00 I 21 3 24 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 0.009712 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009712 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009712 0.00000 ATOM 1 N GLU A 2 12.854 54.447 88.613 1.00 71.38 N ATOM 2 CA GLU A 2 12.041 54.833 89.760 1.00 70.77 C ATOM 3 C GLU A 2 12.885 54.914 91.039 1.00 69.75 C ATOM 4 O GLU A 2 12.896 53.956 91.838 1.00 70.66 O ATOM 5 CB GLU A 2 10.806 53.891 89.933 1.00 72.60 C ATOM 6 CG GLU A 2 9.582 54.507 90.673 1.00 84.46 C ATOM 7 CD GLU A 2 8.898 53.590 91.682 1.00100.00 C ATOM 8 OE1 GLU A 2 8.097 52.720 91.360 1.00100.00 O ATOM 9 OE2 GLU A 2 9.204 53.859 92.941 1.00 97.47 O ATOM 10 N GLN A 3 13.558 56.063 91.237 1.00 60.13 N ATOM 11 CA GLN A 3 13.540 57.134 90.267 1.00 57.16 C ATOM 12 C GLN A 3 14.638 56.898 89.251 1.00 53.93 C ATOM 13 O GLN A 3 15.709 56.388 89.597 1.00 54.01 O ATOM 14 CB GLN A 3 13.880 58.487 90.909 1.00 58.48 C ATOM 15 CG GLN A 3 13.009 58.837 92.117 1.00 77.84 C ATOM 16 CD GLN A 3 12.650 60.311 92.094 1.00100.00 C ATOM 17 OE1 GLN A 3 12.366 60.864 91.020 1.00 96.99 O ATOM 18 NE2 GLN A 3 12.702 60.962 93.260 1.00 94.75 N ATOM 19 N ARG A 4 14.393 57.283 88.000 1.00 43.89 N ATOM 20 CA ARG A 4 15.445 57.165 87.025 1.00 40.23 C ATOM 21 C ARG A 4 16.003 58.559 86.891 1.00 37.57 C ATOM 22 O ARG A 4 15.278 59.519 86.689 1.00 37.98 O ATOM 23 CB ARG A 4 15.113 56.509 85.687 1.00 38.28 C ATOM 24 CG ARG A 4 16.243 56.622 84.652 1.00 41.77 C ATOM 25 CD ARG A 4 16.525 55.366 83.793 1.00 42.14 C ATOM 26 NE ARG A 4 16.838 55.710 82.410 1.00 42.39 N ATOM 27 CZ ARG A 4 17.482 54.954 81.525 1.00 60.55 C ATOM 28 NH1 ARG A 4 17.940 53.737 81.807 1.00 58.50 N ATOM 29 NH2 ARG A 4 17.727 55.438 80.304 1.00 41.80 N ATOM 30 N ILE A 5 17.287 58.691 87.089 1.00 28.48 N ATOM 31 CA ILE A 5 17.824 59.992 86.981 1.00 25.88 C ATOM 32 C ILE A 5 19.212 59.935 86.434 1.00 25.13 C ATOM 33 O ILE A 5 19.904 58.933 86.530 1.00 24.49 O ATOM 34 CB ILE A 5 17.801 60.641 88.321 1.00 29.18 C ATOM 35 CG1 ILE A 5 18.093 62.115 88.149 1.00 29.85 C ATOM 36 CG2 ILE A 5 18.914 60.001 89.133 1.00 30.80 C ATOM 37 CD1 ILE A 5 19.344 62.512 88.919 1.00 40.65 C ATOM 38 N THR A 6 19.566 61.043 85.833 1.00 19.47 N ATOM 39 CA THR A 6 20.819 61.280 85.162 1.00 18.37 C ATOM 40 C THR A 6 22.013 61.421 86.066 1.00 21.33 C ATOM 41 O THR A 6 21.910 62.017 87.136 1.00 22.51 O ATOM 42 CB THR A 6 20.653 62.640 84.513 1.00 21.47 C ATOM 43 OG1 THR A 6 20.349 62.339 83.199 1.00 23.53 O ATOM 44 CG2 THR A 6 21.949 63.423 84.592 1.00 19.28 C ATOM 45 N LEU A 7 23.178 61.004 85.614 1.00 14.68 N ATOM 46 CA LEU A 7 24.284 61.230 86.500 1.00 13.57 C ATOM 47 C LEU A 7 24.469 62.725 86.863 1.00 15.27 C ATOM 48 O LEU A 7 24.467 63.155 88.024 1.00 12.80 O ATOM 49 CB LEU A 7 25.555 60.675 85.838 1.00 13.77 C ATOM 50 CG LEU A 7 26.852 61.004 86.602 1.00 17.94 C ATOM 51 CD1 LEU A 7 26.791 60.425 88.010 1.00 18.12 C ATOM 52 CD2 LEU A 7 28.061 60.424 85.884 1.00 18.70 C ATOM 53 N LYS A 8 24.661 63.521 85.816 1.00 12.22 N ATOM 54 CA LYS A 8 24.895 64.932 85.918 1.00 12.32 C ATOM 55 C LYS A 8 23.922 65.534 86.882 1.00 18.08 C ATOM 56 O LYS A 8 24.254 66.239 87.836 1.00 18.19 O ATOM 57 CB LYS A 8 24.733 65.561 84.561 1.00 15.37 C ATOM 58 CG LYS A 8 24.134 66.969 84.608 1.00 43.07 C ATOM 59 CD LYS A 8 24.782 67.985 83.643 1.00 55.31 C ATOM 60 CE LYS A 8 24.171 68.084 82.235 1.00 68.50 C ATOM 61 NZ LYS A 8 24.274 66.854 81.422 1.00 75.14 N ATOM 62 N ASP A 9 22.695 65.210 86.586 1.00 15.61 N ATOM 63 CA ASP A 9 21.552 65.626 87.356 1.00 16.29 C ATOM 64 C ASP A 9 21.749 65.330 88.838 1.00 15.02 C ATOM 65 O ASP A 9 21.634 66.199 89.728 1.00 14.18 O ATOM 66 CB ASP A 9 20.406 64.718 86.845 1.00 20.50 C ATOM 67 CG ASP A 9 18.995 65.288 86.720 1.00 44.12 C ATOM 68 OD1 ASP A 9 18.724 66.175 87.686 1.00 52.38 O ATOM 69 OD2 ASP A 9 18.175 64.845 85.872 1.00 45.60 O ATOM 70 N TYR A 10 21.982 64.043 89.046 1.00 7.30 N ATOM 71 CA TYR A 10 22.136 63.532 90.355 1.00 5.98 C ATOM 72 C TYR A 10 23.258 64.287 90.965 1.00 11.48 C ATOM 73 O TYR A 10 23.213 64.737 92.095 1.00 10.34 O ATOM 74 CB TYR A 10 22.419 62.040 90.297 1.00 6.17 C ATOM 75 CG TYR A 10 22.611 61.416 91.651 1.00 7.10 C ATOM 76 CD1 TYR A 10 23.798 61.482 92.385 1.00 7.02 C ATOM 77 CD2 TYR A 10 21.535 60.747 92.222 1.00 9.40 C ATOM 78 CE1 TYR A 10 23.946 60.844 93.618 1.00 7.30 C ATOM 79 CE2 TYR A 10 21.658 60.147 93.476 1.00 10.72 C ATOM 80 CZ TYR A 10 22.860 60.174 94.180 1.00 14.09 C ATOM 81 OH TYR A 10 22.907 59.578 95.425 1.00 13.50 O ATOM 82 N ALA A 11 24.268 64.464 90.161 1.00 11.20 N ATOM 83 CA ALA A 11 25.407 65.196 90.670 1.00 12.94 C ATOM 84 C ALA A 11 25.043 66.626 91.034 1.00 21.35 C ATOM 85 O ALA A 11 25.483 67.157 92.041 1.00 20.72 O ATOM 86 CB ALA A 11 26.622 65.131 89.766 1.00 13.50 C ATOM 87 N MET A 12 24.239 67.282 90.230 1.00 21.74 N ATOM 88 CA MET A 12 23.948 68.600 90.670 1.00 23.58 C ATOM 89 C MET A 12 23.167 68.527 91.951 1.00 28.75 C ATOM 90 O MET A 12 23.386 69.355 92.808 1.00 30.28 O ATOM 91 CB MET A 12 23.238 69.480 89.658 1.00 27.10 C ATOM 92 CG MET A 12 24.195 70.366 88.887 1.00 32.96 C ATOM 93 SD MET A 12 23.729 70.673 87.129 1.00 40.00 S ATOM 94 CE MET A 12 22.299 69.603 86.746 1.00 36.51 C ATOM 95 N ARG A 13 22.258 67.575 92.136 1.00 24.68 N ATOM 96 CA ARG A 13 21.528 67.617 93.390 1.00 24.18 C ATOM 97 C ARG A 13 22.431 67.337 94.551 1.00 28.66 C ATOM 98 O ARG A 13 22.389 68.024 95.562 1.00 28.64 O ATOM 99 CB ARG A 13 20.412 66.578 93.573 1.00 24.53 C ATOM 100 CG ARG A 13 19.430 66.318 92.441 1.00 32.79 C ATOM 101 CD ARG A 13 18.266 67.288 92.512 1.00 38.23 C ATOM 102 NE ARG A 13 17.302 67.093 91.443 1.00 37.18 N ATOM 103 CZ ARG A 13 16.458 66.093 91.515 1.00 42.73 C ATOM 104 NH1 ARG A 13 16.484 65.260 92.547 1.00 24.14 N ATOM 105 NH2 ARG A 13 15.564 65.939 90.556 1.00 28.31 N ATOM 106 N PHE A 14 23.173 66.243 94.445 1.00 25.37 N ATOM 107 CA PHE A 14 23.977 65.785 95.557 1.00 25.06 C ATOM 108 C PHE A 14 25.378 66.273 95.736 1.00 28.45 C ATOM 109 O PHE A 14 25.873 66.141 96.837 1.00 28.66 O ATOM 110 CB PHE A 14 23.947 64.258 95.702 1.00 27.01 C ATOM 111 CG PHE A 14 22.516 63.851 95.815 1.00 28.55 C ATOM 112 CD1 PHE A 14 21.778 64.131 96.967 1.00 30.69 C ATOM 113 CD2 PHE A 14 21.881 63.304 94.705 1.00 31.62 C ATOM 114 CE1 PHE A 14 20.426 63.806 97.079 1.00 33.49 C ATOM 115 CE2 PHE A 14 20.522 63.000 94.790 1.00 33.00 C ATOM 116 CZ PHE A 14 19.801 63.252 95.962 1.00 32.06 C ATOM 117 N GLY A 15 26.055 66.773 94.722 1.00 24.30 N ATOM 118 CA GLY A 15 27.430 67.168 94.990 1.00 24.35 C ATOM 119 C GLY A 15 28.314 66.041 94.533 1.00 29.51 C ATOM 120 O GLY A 15 28.053 64.879 94.832 1.00 29.31 O ATOM 121 N GLN A 16 29.311 66.367 93.731 1.00 27.57 N ATOM 122 CA GLN A 16 30.137 65.330 93.112 1.00 27.71 C ATOM 123 C GLN A 16 30.547 64.146 94.002 1.00 32.92 C ATOM 124 O GLN A 16 30.451 62.940 93.685 1.00 32.61 O ATOM 125 CB GLN A 16 31.248 65.870 92.184 1.00 28.20 C ATOM 126 CG GLN A 16 30.719 66.756 91.037 1.00 22.02 C ATOM 127 CD GLN A 16 31.844 67.313 90.177 1.00 41.41 C ATOM 128 OE1 GLN A 16 33.022 66.931 90.328 1.00 40.73 O ATOM 129 NE2 GLN A 16 31.505 68.259 89.300 1.00 29.73 N ATOM 130 N THR A 17 30.973 64.546 95.165 1.00 29.43 N ATOM 131 CA THR A 17 31.470 63.673 96.185 1.00 28.93 C ATOM 132 C THR A 17 30.561 62.568 96.688 1.00 30.55 C ATOM 133 O THR A 17 30.932 61.398 96.646 1.00 30.28 O ATOM 134 CB THR A 17 31.881 64.673 97.226 1.00 41.91 C ATOM 135 OG1 THR A 17 31.476 65.958 96.693 1.00 43.61 O ATOM 136 CG2 THR A 17 33.395 64.550 97.270 1.00 42.53 C ATOM 137 N LYS A 18 29.382 62.932 97.178 1.00 24.93 N ATOM 138 CA LYS A 18 28.470 61.941 97.680 1.00 23.30 C ATOM 139 C LYS A 18 28.242 60.940 96.597 1.00 24.67 C ATOM 140 O LYS A 18 28.346 59.743 96.823 1.00 24.26 O ATOM 141 CB LYS A 18 27.112 62.517 98.020 1.00 25.99 C ATOM 142 CG LYS A 18 26.177 61.389 98.448 1.00 41.12 C ATOM 143 CD LYS A 18 24.709 61.590 98.107 1.00 49.18 C ATOM 144 CE LYS A 18 23.787 60.714 98.946 1.00 61.09 C ATOM 145 NZ LYS A 18 24.408 59.487 99.478 1.00 68.40 N ATOM 146 N THR A 19 27.880 61.488 95.441 1.00 19.61 N ATOM 147 CA THR A 19 27.604 60.705 94.264 1.00 19.19 C ATOM 148 C THR A 19 28.692 59.690 94.149 1.00 22.56 C ATOM 149 O THR A 19 28.534 58.486 94.375 1.00 20.93 O ATOM 150 CB THR A 19 27.799 61.629 93.051 1.00 29.26 C ATOM 151 OG1 THR A 19 26.740 62.558 92.914 1.00 32.74 O ATOM 152 CG2 THR A 19 27.998 60.824 91.777 1.00 24.63 C ATOM 153 N ALA A 20 29.825 60.278 93.787 1.00 19.99 N ATOM 154 CA ALA A 20 31.036 59.529 93.612 1.00 20.31 C ATOM 155 C ALA A 20 31.104 58.463 94.707 1.00 22.61 C ATOM 156 O ALA A 20 31.166 57.261 94.507 1.00 20.00 O ATOM 157 CB ALA A 20 32.227 60.489 93.554 1.00 21.15 C ATOM 158 N LYS A 21 30.994 58.930 95.905 1.00 20.80 N ATOM 159 CA LYS A 21 30.976 57.944 96.919 1.00 22.20 C ATOM 160 C LYS A 21 29.873 56.942 96.593 1.00 28.89 C ATOM 161 O LYS A 21 30.100 55.735 96.596 1.00 30.27 O ATOM 162 CB LYS A 21 30.716 58.511 98.302 1.00 24.94 C ATOM 163 CG LYS A 21 30.188 57.425 99.232 1.00 47.80 C ATOM 164 CD LYS A 21 30.291 57.806 100.709 1.00 70.08 C ATOM 165 CE LYS A 21 28.937 58.063 101.390 1.00 91.74 C ATOM 166 NZ LYS A 21 28.931 57.952 102.867 1.00100.00 N ATOM 167 N ASP A 22 28.642 57.383 96.343 1.00 25.16 N ATOM 168 CA ASP A 22 27.679 56.343 96.103 1.00 25.22 C ATOM 169 C ASP A 22 28.107 55.370 95.040 1.00 30.45 C ATOM 170 O ASP A 22 27.750 54.204 95.117 1.00 31.16 O ATOM 171 CB ASP A 22 26.223 56.716 95.864 1.00 26.85 C ATOM 172 CG ASP A 22 25.673 57.763 96.758 1.00 34.36 C ATOM 173 OD1 ASP A 22 25.667 57.661 97.964 1.00 34.45 O ATOM 174 OD2 ASP A 22 25.082 58.716 96.076 1.00 39.75 O ATOM 175 N LEU A 23 28.843 55.769 94.032 1.00 26.64 N ATOM 176 CA LEU A 23 29.124 54.667 93.151 1.00 26.79 C ATOM 177 C LEU A 23 30.389 53.910 93.500 1.00 34.24 C ATOM 178 O LEU A 23 30.805 52.963 92.821 1.00 34.72 O ATOM 179 CB LEU A 23 28.940 54.935 91.665 1.00 26.32 C ATOM 180 CG LEU A 23 27.762 55.847 91.434 1.00 30.02 C ATOM 181 CD1 LEU A 23 28.123 56.869 90.370 1.00 29.20 C ATOM 182 CD2 LEU A 23 26.616 54.980 90.960 1.00 32.31 C ATOM 183 N GLY A 24 30.994 54.298 94.594 1.00 32.37 N ATOM 184 CA GLY A 24 32.185 53.580 94.936 1.00 33.48 C ATOM 185 C GLY A 24 33.220 53.797 93.862 1.00 39.97 C ATOM 186 O GLY A 24 33.700 52.899 93.181 1.00 40.03 O ATOM 187 N VAL A 25 33.553 55.044 93.741 1.00 38.79 N ATOM 188 CA VAL A 25 34.537 55.443 92.787 1.00 39.62 C ATOM 189 C VAL A 25 34.971 56.856 93.153 1.00 45.38 C ATOM 190 O VAL A 25 34.289 57.587 93.879 1.00 43.61 O ATOM 191 CB VAL A 25 33.951 55.294 91.394 1.00 43.22 C ATOM 192 CG1 VAL A 25 32.828 56.295 91.265 1.00 43.04 C ATOM 193 CG2 VAL A 25 34.990 55.567 90.329 1.00 43.01 C ATOM 194 N TYR A 26 36.135 57.210 92.678 1.00 44.36 N ATOM 195 CA TYR A 26 36.673 58.496 93.000 1.00 45.85 C ATOM 196 C TYR A 26 36.039 59.657 92.276 1.00 46.89 C ATOM 197 O TYR A 26 35.923 59.649 91.066 1.00 46.41 O ATOM 198 CB TYR A 26 38.218 58.533 92.861 1.00 49.91 C ATOM 199 CG TYR A 26 38.952 57.668 93.874 1.00 55.08 C ATOM 200 CD1 TYR A 26 38.583 56.339 94.109 1.00 57.96 C ATOM 201 CD2 TYR A 26 40.017 58.194 94.607 1.00 56.44 C ATOM 202 CE1 TYR A 26 39.243 55.548 95.055 1.00 59.87 C ATOM 203 CE2 TYR A 26 40.684 57.408 95.551 1.00 57.81 C ATOM 204 CZ TYR A 26 40.304 56.084 95.788 1.00 65.82 C ATOM 205 OH TYR A 26 40.982 55.310 96.712 1.00 65.92 O ATOM 206 N GLN A 27 35.717 60.675 93.070 1.00 41.30 N ATOM 207 CA GLN A 27 35.159 61.956 92.678 1.00 39.96 C ATOM 208 C GLN A 27 35.633 62.453 91.312 1.00 42.12 C ATOM 209 O GLN A 27 34.856 62.844 90.426 1.00 41.81 O ATOM 210 CB GLN A 27 35.609 62.964 93.741 1.00 41.18 C ATOM 211 CG GLN A 27 34.828 64.281 93.696 1.00 56.16 C ATOM 212 CD GLN A 27 35.687 65.449 93.268 1.00 76.39 C ATOM 213 OE1 GLN A 27 36.643 65.816 93.979 1.00 77.50 O ATOM 214 NE2 GLN A 27 35.302 66.067 92.144 1.00 58.08 N ATOM 215 N SER A 28 36.944 62.464 91.136 1.00 37.19 N ATOM 216 CA SER A 28 37.537 62.885 89.874 1.00 36.16 C ATOM 217 C SER A 28 36.887 62.141 88.715 1.00 37.07 C ATOM 218 O SER A 28 36.631 62.724 87.648 1.00 36.27 O ATOM 219 CB SER A 28 38.968 62.507 89.996 1.00 39.66 C ATOM 220 OG SER A 28 39.193 61.618 91.077 1.00 49.67 O ATOM 221 N ALA A 29 36.574 60.853 88.966 1.00 31.17 N ATOM 222 CA ALA A 29 35.893 60.056 87.960 1.00 29.55 C ATOM 223 C ALA A 29 34.671 60.841 87.537 1.00 30.17 C ATOM 224 O ALA A 29 34.546 61.396 86.425 1.00 29.59 O ATOM 225 CB ALA A 29 35.445 58.727 88.532 1.00 30.06 C ATOM 226 N ILE A 30 33.778 60.911 88.500 1.00 23.66 N ATOM 227 CA ILE A 30 32.600 61.650 88.215 1.00 22.45 C ATOM 228 C ILE A 30 32.955 62.789 87.329 1.00 25.66 C ATOM 229 O ILE A 30 32.677 62.816 86.137 1.00 24.85 O ATOM 230 CB ILE A 30 32.106 62.305 89.455 1.00 24.91 C ATOM 231 CG1 ILE A 30 31.956 61.216 90.484 1.00 25.62 C ATOM 232 CG2 ILE A 30 30.770 62.911 89.124 1.00 24.11 C ATOM 233 CD1 ILE A 30 31.143 60.087 89.919 1.00 35.10 C ATOM 234 N ASN A 31 33.587 63.734 87.975 1.00 22.01 N ATOM 235 CA ASN A 31 33.940 64.913 87.247 1.00 22.51 C ATOM 236 C ASN A 31 34.227 64.655 85.795 1.00 26.62 C ATOM 237 O ASN A 31 33.585 65.194 84.889 1.00 24.85 O ATOM 238 CB ASN A 31 35.132 65.667 87.851 1.00 25.29 C ATOM 239 CG ASN A 31 35.242 67.060 87.234 1.00 39.01 C ATOM 240 OD1 ASN A 31 35.834 67.254 86.146 1.00 30.44 O ATOM 241 ND2 ASN A 31 34.592 68.020 87.893 1.00 24.83 N ATOM 242 N LYS A 32 35.267 63.865 85.613 1.00 24.82 N ATOM 243 CA LYS A 32 35.716 63.532 84.286 1.00 25.81 C ATOM 244 C LYS A 32 34.534 63.138 83.411 1.00 29.77 C ATOM 245 O LYS A 32 34.259 63.724 82.356 1.00 28.35 O ATOM 246 CB LYS A 32 36.715 62.377 84.382 1.00 29.78 C ATOM 247 CG LYS A 32 37.883 62.450 83.379 1.00 56.34 C ATOM 248 CD LYS A 32 38.794 61.212 83.347 1.00 71.26 C ATOM 249 CE LYS A 32 39.994 61.311 82.401 1.00 89.16 C ATOM 250 NZ LYS A 32 40.848 60.107 82.341 1.00100.00 N ATOM 251 N ALA A 33 33.889 62.096 83.939 1.00 26.65 N ATOM 252 CA ALA A 33 32.748 61.418 83.399 1.00 25.99 C ATOM 253 C ALA A 33 31.712 62.387 82.943 1.00 29.06 C ATOM 254 O ALA A 33 31.051 62.215 81.947 1.00 27.39 O ATOM 255 CB ALA A 33 32.160 60.602 84.529 1.00 26.65 C ATOM 256 N ILE A 34 31.532 63.373 83.754 1.00 27.80 N ATOM 257 CA ILE A 34 30.519 64.340 83.475 1.00 29.28 C ATOM 258 C ILE A 34 30.977 65.240 82.379 1.00 41.18 C ATOM 259 O ILE A 34 30.295 65.491 81.378 1.00 41.64 O ATOM 260 CB ILE A 34 30.313 65.209 84.690 1.00 31.30 C ATOM 261 CG1 ILE A 34 29.871 64.349 85.840 1.00 31.54 C ATOM 262 CG2 ILE A 34 29.286 66.269 84.394 1.00 29.76 C ATOM 263 CD1 ILE A 34 28.607 64.905 86.449 1.00 40.60 C ATOM 264 N HIS A 35 32.133 65.804 82.615 1.00 43.14 N ATOM 265 CA HIS A 35 32.577 66.713 81.618 1.00 45.80 C ATOM 266 C HIS A 35 32.684 66.017 80.318 1.00 48.55 C ATOM 267 O HIS A 35 32.413 66.584 79.265 1.00 48.62 O ATOM 268 CB HIS A 35 33.842 67.381 82.056 1.00 48.84 C ATOM 269 CG HIS A 35 33.391 68.382 83.061 1.00 54.30 C ATOM 270 ND1 HIS A 35 33.741 68.291 84.407 1.00 57.22 N ATOM 271 CD2 HIS A 35 32.567 69.460 82.899 1.00 57.37 C ATOM 272 CE1 HIS A 35 33.175 69.338 85.021 1.00 57.18 C ATOM 273 NE2 HIS A 35 32.466 70.059 84.142 1.00 57.56 N ATOM 274 N ALA A 36 33.006 64.752 80.480 1.00 43.66 N ATOM 275 CA ALA A 36 33.150 63.799 79.412 1.00 42.35 C ATOM 276 C ALA A 36 31.940 63.751 78.500 1.00 42.56 C ATOM 277 O ALA A 36 32.029 63.508 77.298 1.00 41.92 O ATOM 278 CB ALA A 36 33.291 62.447 80.069 1.00 43.26 C ATOM 279 N GLY A 37 30.785 63.962 79.085 1.00 36.94 N ATOM 280 CA GLY A 37 29.584 63.911 78.294 1.00 35.78 C ATOM 281 C GLY A 37 29.136 62.464 78.099 1.00 37.40 C ATOM 282 O GLY A 37 28.483 62.145 77.109 1.00 39.09 O ATOM 283 N ARG A 38 29.470 61.580 79.042 1.00 29.12 N ATOM 284 CA ARG A 38 29.075 60.196 78.960 1.00 26.35 C ATOM 285 C ARG A 38 27.582 60.100 79.231 1.00 26.19 C ATOM 286 O ARG A 38 27.113 60.829 80.073 1.00 26.08 O ATOM 287 CB ARG A 38 29.887 59.441 80.017 1.00 24.84 C ATOM 288 CG ARG A 38 31.072 58.614 79.464 1.00 25.17 C ATOM 289 CD ARG A 38 32.133 58.195 80.481 1.00 13.78 C ATOM 290 NE ARG A 38 32.080 56.799 80.910 1.00 16.19 N ATOM 291 CZ ARG A 38 32.818 56.337 81.933 1.00 39.01 C ATOM 292 NH1 ARG A 38 33.655 57.105 82.628 1.00 29.66 N ATOM 293 NH2 ARG A 38 32.729 55.064 82.277 1.00 33.17 N ATOM 294 N LYS A 39 26.832 59.233 78.549 1.00 20.41 N ATOM 295 CA LYS A 39 25.388 59.117 78.808 1.00 19.49 C ATOM 296 C LYS A 39 25.184 58.107 79.899 1.00 20.56 C ATOM 297 O LYS A 39 25.406 56.936 79.688 1.00 21.08 O ATOM 298 CB LYS A 39 24.569 58.759 77.576 1.00 22.22 C ATOM 299 CG LYS A 39 24.382 59.981 76.676 1.00 46.03 C ATOM 300 CD LYS A 39 23.179 59.925 75.727 1.00 64.54 C ATOM 301 CE LYS A 39 22.224 61.135 75.775 1.00 80.44 C ATOM 302 NZ LYS A 39 21.034 61.049 74.887 1.00 83.74 N ATOM 303 N ILE A 40 24.820 58.538 81.085 1.00 14.69 N ATOM 304 CA ILE A 40 24.753 57.582 82.161 1.00 14.10 C ATOM 305 C ILE A 40 23.640 57.826 83.096 1.00 18.09 C ATOM 306 O ILE A 40 23.265 58.974 83.378 1.00 18.10 O ATOM 307 CB ILE A 40 25.943 57.835 83.029 1.00 17.41 C ATOM 308 CG1 ILE A 40 27.083 58.378 82.187 1.00 18.18 C ATOM 309 CG2 ILE A 40 26.336 56.578 83.766 1.00 18.15 C ATOM 310 CD1 ILE A 40 28.419 57.862 82.700 1.00 27.78 C ATOM 311 N PHE A 41 23.161 56.732 83.620 1.00 14.76 N ATOM 312 CA PHE A 41 22.016 56.885 84.447 1.00 15.27 C ATOM 313 C PHE A 41 22.059 56.046 85.639 1.00 21.26 C ATOM 314 O PHE A 41 22.421 54.870 85.656 1.00 22.66 O ATOM 315 CB PHE A 41 20.717 56.504 83.739 1.00 17.34 C ATOM 316 CG PHE A 41 20.658 56.981 82.310 1.00 19.85 C ATOM 317 CD1 PHE A 41 21.578 56.555 81.349 1.00 23.47 C ATOM 318 CD2 PHE A 41 19.649 57.854 81.900 1.00 22.66 C ATOM 319 CE1 PHE A 41 21.534 57.023 80.036 1.00 24.32 C ATOM 320 CE2 PHE A 41 19.555 58.304 80.584 1.00 25.42 C ATOM 321 CZ PHE A 41 20.507 57.883 79.657 1.00 23.46 C ATOM 322 N LEU A 42 21.533 56.709 86.607 1.00 17.97 N ATOM 323 CA LEU A 42 21.427 56.154 87.897 1.00 18.15 C ATOM 324 C LEU A 42 20.034 55.639 88.059 1.00 24.06 C ATOM 325 O LEU A 42 19.132 56.226 87.511 1.00 22.01 O ATOM 326 CB LEU A 42 21.597 57.300 88.918 1.00 17.79 C ATOM 327 CG LEU A 42 22.991 57.866 89.012 1.00 20.71 C ATOM 328 CD1 LEU A 42 23.212 58.279 90.467 1.00 19.71 C ATOM 329 CD2 LEU A 42 23.898 56.734 88.580 1.00 22.04 C ATOM 330 N THR A 43 19.900 54.664 88.944 1.00 24.40 N ATOM 331 CA THR A 43 18.631 54.093 89.331 1.00 25.83 C ATOM 332 C THR A 43 18.583 54.003 90.842 1.00 33.74 C ATOM 333 O THR A 43 19.465 53.403 91.455 1.00 33.05 O ATOM 334 CB THR A 43 18.520 52.706 88.738 1.00 35.08 C ATOM 335 OG1 THR A 43 17.877 52.810 87.482 1.00 35.87 O ATOM 336 CG2 THR A 43 17.753 51.831 89.712 1.00 33.97 C ATOM 337 N ILE A 44 17.604 54.649 91.454 1.00 34.13 N ATOM 338 CA ILE A 44 17.570 54.612 92.898 1.00 36.35 C ATOM 339 C ILE A 44 16.585 53.603 93.401 1.00 47.31 C ATOM 340 O ILE A 44 15.521 53.425 92.835 1.00 48.16 O ATOM 341 CB ILE A 44 17.234 55.910 93.612 1.00 39.40 C ATOM 342 CG1 ILE A 44 17.632 57.178 92.861 1.00 39.26 C ATOM 343 CG2 ILE A 44 17.834 55.854 95.015 1.00 40.83 C ATOM 344 CD1 ILE A 44 19.090 57.194 92.457 1.00 44.40 C ATOM 345 N ASN A 45 16.917 52.958 94.494 1.00 48.16 N ATOM 346 CA ASN A 45 15.996 51.983 94.999 1.00 49.77 C ATOM 347 C ASN A 45 15.501 52.465 96.327 1.00 57.01 C ATOM 348 O ASN A 45 16.120 53.370 96.898 1.00 57.08 O ATOM 349 CB ASN A 45 16.655 50.598 95.096 1.00 51.96 C ATOM 350 CG ASN A 45 17.668 50.425 93.981 1.00 83.72 C ATOM 351 OD1 ASN A 45 18.649 51.191 93.879 1.00 76.60 O ATOM 352 ND2 ASN A 45 17.390 49.468 93.096 1.00 79.36 N ATOM 353 N ALA A 46 14.376 51.868 96.755 1.00 54.90 N ATOM 354 CA ALA A 46 13.763 52.166 98.028 1.00 54.73 C ATOM 355 C ALA A 46 14.830 52.625 98.988 1.00 58.36 C ATOM 356 O ALA A 46 14.906 53.816 99.298 1.00 58.43 O ATOM 357 CB ALA A 46 13.164 50.897 98.594 1.00 55.68 C ATOM 358 N ASP A 47 15.664 51.669 99.417 1.00 54.29 N ATOM 359 CA ASP A 47 16.734 51.947 100.360 1.00 54.08 C ATOM 360 C ASP A 47 17.667 53.089 99.973 1.00 57.58 C ATOM 361 O ASP A 47 18.260 53.756 100.824 1.00 57.21 O ATOM 362 CB ASP A 47 17.496 50.695 100.807 1.00 55.91 C ATOM 363 CG ASP A 47 17.976 49.934 99.626 1.00 66.97 C ATOM 364 OD1 ASP A 47 18.093 50.712 98.576 1.00 75.23 O ATOM 365 OD2 ASP A 47 18.160 48.736 99.636 1.00 66.76 O ATOM 366 N GLY A 48 17.805 53.350 98.686 1.00 53.59 N ATOM 367 CA GLY A 48 18.679 54.447 98.317 1.00 53.00 C ATOM 368 C GLY A 48 19.997 53.955 97.735 1.00 55.34 C ATOM 369 O GLY A 48 20.966 54.707 97.556 1.00 55.11 O ATOM 370 N SER A 49 20.018 52.663 97.440 1.00 49.41 N ATOM 371 CA SER A 49 21.171 52.079 96.815 1.00 47.67 C ATOM 372 C SER A 49 21.156 52.569 95.377 1.00 45.83 C ATOM 373 O SER A 49 20.105 52.904 94.819 1.00 44.65 O ATOM 374 CB SER A 49 21.039 50.569 96.830 1.00 53.06 C ATOM 375 OG SER A 49 19.744 50.213 96.360 1.00 65.17 O ATOM 376 N VAL A 50 22.306 52.609 94.741 1.00 38.45 N ATOM 377 CA VAL A 50 22.219 53.087 93.396 1.00 36.14 C ATOM 378 C VAL A 50 22.767 52.192 92.324 1.00 36.13 C ATOM 379 O VAL A 50 23.685 51.420 92.530 1.00 37.21 O ATOM 380 CB VAL A 50 22.799 54.453 93.301 1.00 39.83 C ATOM 381 CG1 VAL A 50 22.533 54.945 91.888 1.00 40.14 C ATOM 382 CG2 VAL A 50 21.998 55.287 94.269 1.00 39.60 C ATOM 383 N TYR A 51 22.228 52.300 91.141 1.00 28.23 N ATOM 384 CA TYR A 51 22.809 51.480 90.152 1.00 26.27 C ATOM 385 C TYR A 51 23.024 52.297 88.900 1.00 24.74 C ATOM 386 O TYR A 51 22.211 53.109 88.483 1.00 24.60 O ATOM 387 CB TYR A 51 22.004 50.205 89.955 1.00 28.32 C ATOM 388 CG TYR A 51 22.511 49.485 88.734 1.00 31.90 C ATOM 389 CD1 TYR A 51 22.002 49.816 87.480 1.00 33.26 C ATOM 390 CD2 TYR A 51 23.563 48.573 88.802 1.00 33.89 C ATOM 391 CE1 TYR A 51 22.461 49.205 86.316 1.00 34.67 C ATOM 392 CE2 TYR A 51 24.027 47.957 87.640 1.00 35.59 C ATOM 393 CZ TYR A 51 23.477 48.253 86.390 1.00 43.95 C ATOM 394 OH TYR A 51 23.933 47.658 85.217 1.00 45.03 O ATOM 395 N ALA A 52 24.137 52.124 88.262 1.00 17.30 N ATOM 396 CA ALA A 52 24.276 52.952 87.130 1.00 15.53 C ATOM 397 C ALA A 52 24.700 52.223 85.921 1.00 17.78 C ATOM 398 O ALA A 52 25.685 51.505 85.925 1.00 17.17 O ATOM 399 CB ALA A 52 25.341 53.977 87.406 1.00 16.04 C ATOM 400 N GLU A 53 24.010 52.501 84.852 1.00 13.47 N ATOM 401 CA GLU A 53 24.432 51.942 83.611 1.00 12.56 C ATOM 402 C GLU A 53 24.698 53.123 82.709 1.00 14.61 C ATOM 403 O GLU A 53 24.226 54.228 83.009 1.00 13.03 O ATOM 404 CB GLU A 53 23.396 50.982 83.024 1.00 14.27 C ATOM 405 CG GLU A 53 21.951 51.524 83.087 1.00 32.63 C ATOM 406 CD GLU A 53 20.929 50.584 82.465 1.00 63.29 C ATOM 407 OE1 GLU A 53 21.187 49.338 82.774 1.00 67.31 O ATOM 408 OE2 GLU A 53 19.953 50.925 81.783 1.00 51.23 O ATOM 409 N GLU A 54 25.504 52.869 81.658 1.00 11.15 N ATOM 410 CA GLU A 54 25.887 53.815 80.606 1.00 10.71 C ATOM 411 C GLU A 54 25.509 53.306 79.221 1.00 18.11 C ATOM 412 O GLU A 54 25.518 52.104 78.908 1.00 17.45 O ATOM 413 CB GLU A 54 27.378 54.169 80.628 1.00 11.49 C ATOM 414 CG GLU A 54 27.959 54.700 79.302 1.00 16.08 C ATOM 415 CD GLU A 54 29.442 55.048 79.346 1.00 32.09 C ATOM 416 OE1 GLU A 54 30.333 54.430 79.959 1.00 22.53 O ATOM 417 OE2 GLU A 54 29.670 56.112 78.613 1.00 19.67 O ATOM 418 N VAL A 55 25.158 54.251 78.368 1.00 17.80 N ATOM 419 CA VAL A 55 24.780 53.922 77.003 1.00 19.34 C ATOM 420 C VAL A 55 25.820 54.397 76.023 1.00 27.07 C ATOM 421 O VAL A 55 26.239 55.550 76.045 1.00 27.89 O ATOM 422 CB VAL A 55 23.457 54.529 76.588 1.00 23.05 C ATOM 423 CG1 VAL A 55 23.122 54.075 75.164 1.00 22.76 C ATOM 424 CG2 VAL A 55 22.389 54.110 77.582 1.00 22.66 C ATOM 425 N LYS A 56 26.198 53.521 75.132 1.00 25.34 N ATOM 426 CA LYS A 56 27.251 53.873 74.233 1.00 26.07 C ATOM 427 C LYS A 56 26.987 53.278 72.884 1.00 31.50 C ATOM 428 O LYS A 56 26.441 52.171 72.759 1.00 31.13 O ATOM 429 CB LYS A 56 28.455 53.136 74.787 1.00 28.94 C ATOM 430 CG LYS A 56 29.720 53.919 74.982 1.00 49.13 C ATOM 431 CD LYS A 56 30.751 53.013 75.639 1.00 64.45 C ATOM 432 CE LYS A 56 32.117 53.656 75.818 1.00 85.43 C ATOM 433 NZ LYS A 56 32.625 53.490 77.192 1.00100.00 N ATOM 434 N PRO A 57 27.492 53.979 71.888 1.00 28.64 N ATOM 435 CA PRO A 57 27.380 53.560 70.509 1.00 28.30 C ATOM 436 C PRO A 57 28.360 52.472 70.181 1.00 32.39 C ATOM 437 O PRO A 57 29.493 52.408 70.633 1.00 32.30 O ATOM 438 CB PRO A 57 27.733 54.738 69.630 1.00 29.50 C ATOM 439 CG PRO A 57 28.085 55.864 70.587 1.00 33.84 C ATOM 440 CD PRO A 57 27.919 55.372 72.016 1.00 29.04 C ATOM 441 N PHE A 58 27.904 51.577 69.376 1.00 28.21 N ATOM 442 CA PHE A 58 28.824 50.588 69.008 1.00 27.17 C ATOM 443 C PHE A 58 29.227 50.859 67.584 1.00 33.81 C ATOM 444 O PHE A 58 28.379 51.117 66.750 1.00 33.55 O ATOM 445 CB PHE A 58 28.094 49.297 69.021 1.00 28.01 C ATOM 446 CG PHE A 58 29.214 48.396 68.754 1.00 28.67 C ATOM 447 CD1 PHE A 58 30.233 48.352 69.699 1.00 31.43 C ATOM 448 CD2 PHE A 58 29.326 47.711 67.548 1.00 30.04 C ATOM 449 CE1 PHE A 58 31.319 47.501 69.525 1.00 32.02 C ATOM 450 CE2 PHE A 58 30.408 46.859 67.353 1.00 32.71 C ATOM 451 CZ PHE A 58 31.393 46.776 68.338 1.00 30.99 C ATOM 452 N PRO A 59 30.493 50.840 67.272 1.00 33.24 N ATOM 453 CA PRO A 59 31.631 50.532 68.129 1.00 34.30 C ATOM 454 C PRO A 59 32.212 51.747 68.803 1.00 40.91 C ATOM 455 O PRO A 59 32.188 52.843 68.244 1.00 39.87 O ATOM 456 CB PRO A 59 32.732 50.217 67.127 1.00 35.88 C ATOM 457 CG PRO A 59 32.378 51.036 65.881 1.00 39.60 C ATOM 458 CD PRO A 59 30.870 51.207 65.893 1.00 34.08 C ATOM 459 N SER A 60 32.824 51.491 69.945 1.00 40.12 N ATOM 460 CA SER A 60 33.443 52.528 70.757 1.00 41.70 C ATOM 461 C SER A 60 34.335 53.557 70.036 1.00 48.70 C ATOM 462 O SER A 60 34.415 54.742 70.403 1.00 48.61 O ATOM 463 CB SER A 60 34.275 51.842 71.821 1.00 45.77 C ATOM 464 OG SER A 60 34.721 50.615 71.289 1.00 55.00 O ATOM 465 N ASN A 61 35.078 53.077 69.037 1.00 46.64 N ATOM 466 CA ASN A 61 36.019 53.900 68.312 1.00 70.23 C ATOM 467 C ASN A 61 35.337 55.087 67.655 1.00 91.38 C ATOM 468 O ASN A 61 35.098 56.094 68.332 1.00 46.54 O ATOM 469 CB ASN A 61 36.951 53.061 67.421 1.00 70.82 C ATOM 470 CG ASN A 61 37.688 52.002 68.240 1.00100.00 C ATOM 471 OD1 ASN A 61 38.734 51.479 67.820 1.00100.00 O ATOM 472 ND2 ASN A 61 37.159 51.678 69.425 1.00 93.17 N TER 473 ASN A 61 ATOM 474 O5* A R 1 27.250 70.151 97.809 0.50 53.78 O ATOM 475 C5* A R 1 25.903 69.849 98.121 0.50 53.21 C ATOM 476 C4* A R 1 25.877 69.844 99.615 0.50 54.40 C ATOM 477 O4* A R 1 24.650 69.280 100.112 0.50 54.57 O ATOM 478 C3* A R 1 26.984 68.978 100.182 0.50 54.47 C ATOM 479 O3* A R 1 28.149 69.758 100.315 0.50 54.20 O ATOM 480 C2* A R 1 26.428 68.558 101.532 0.50 54.41 C ATOM 481 C1* A R 1 24.910 68.827 101.430 0.50 53.39 C ATOM 482 N9 A R 1 24.160 67.667 101.878 0.50 55.08 N ATOM 483 C8 A R 1 23.080 67.622 102.730 0.50 55.88 C ATOM 484 N7 A R 1 22.744 66.397 103.087 0.50 56.45 N ATOM 485 C5 A R 1 23.729 65.603 102.490 0.50 56.65 C ATOM 486 C6 A R 1 23.943 64.206 102.432 0.50 57.37 C ATOM 487 N6 A R 1 23.179 63.309 103.078 0.50 57.68 N ATOM 488 N1 A R 1 25.061 63.783 101.795 0.50 55.27 N ATOM 489 C2 A R 1 25.829 64.675 101.154 0.50 55.16 C ATOM 490 N3 A R 1 25.738 65.996 101.142 0.50 55.19 N ATOM 491 C4 A R 1 24.639 66.388 101.801 0.50 55.65 C ATOM 492 P C R 2 29.542 69.158 99.815 0.50 53.74 P ATOM 493 O1P C R 2 30.390 68.887 100.998 0.50 59.16 O ATOM 494 O2P C R 2 29.341 68.098 98.803 0.50 54.91 O ATOM 495 O5* C R 2 30.120 70.355 99.017 0.50 48.13 O ATOM 496 C5* C R 2 30.028 70.064 97.687 0.50 49.15 C ATOM 497 C4* C R 2 29.967 71.357 96.930 0.50 49.89 C ATOM 498 O4* C R 2 30.504 72.394 97.769 0.50 50.25 O ATOM 499 C3* C R 2 30.866 71.328 95.721 0.50 50.16 C ATOM 500 O3* C R 2 30.022 71.267 94.641 0.50 49.62 O ATOM 501 C2* C R 2 31.622 72.645 95.780 0.50 50.39 C ATOM 502 C1* C R 2 31.753 72.802 97.281 0.50 50.18 C ATOM 503 N1 C R 2 32.838 71.941 97.863 0.50 48.33 N ATOM 504 C2 C R 2 34.166 72.142 97.469 0.50 47.24 C ATOM 505 O2 C R 2 34.424 73.025 96.655 0.50 46.79 O ATOM 506 N3 C R 2 35.151 71.366 97.983 0.50 46.96 N ATOM 507 C4 C R 2 34.850 70.414 98.867 0.50 47.13 C ATOM 508 N4 C R 2 35.851 69.670 99.348 0.50 47.04 N ATOM 509 C5 C R 2 33.502 70.180 99.292 0.50 47.57 C ATOM 510 C6 C R 2 32.537 70.959 98.767 0.50 47.99 C ATOM 511 P T R 3 30.230 69.960 93.800 0.50 42.14 P ATOM 512 O1P T R 3 30.696 68.848 94.692 0.50 36.27 O ATOM 513 O2P T R 3 29.007 69.904 92.960 0.50 40.91 O ATOM 514 O5* T R 3 31.415 70.502 92.905 0.50 40.73 O ATOM 515 C5* T R 3 31.124 71.606 92.071 0.50 39.82 C ATOM 516 C4* T R 3 32.451 72.091 91.568 0.50 42.66 C ATOM 517 O4* T R 3 33.369 71.905 92.657 0.50 44.70 O ATOM 518 C3* T R 3 32.989 71.257 90.442 0.50 42.94 C ATOM 519 O3* T R 3 33.083 72.111 89.360 0.50 45.41 O ATOM 520 C2* T R 3 34.350 70.754 90.919 0.50 44.35 C ATOM 521 C1* T R 3 34.608 71.497 92.201 0.50 46.98 C ATOM 522 N1 T R 3 35.159 70.651 93.249 0.50 45.61 N ATOM 523 C2 T R 3 36.513 70.656 93.441 0.50 46.28 C ATOM 524 O2 T R 3 37.253 71.315 92.741 0.50 46.54 O ATOM 525 N3 T R 3 36.984 69.849 94.458 0.50 46.99 N ATOM 526 C4 T R 3 36.231 69.051 95.284 0.50 44.95 C ATOM 527 O4 T R 3 36.802 68.379 96.127 0.50 43.57 O ATOM 528 C5 T R 3 34.798 69.119 95.050 0.50 44.74 C ATOM 529 C5M T R 3 33.846 68.314 95.896 0.50 44.56 C ATOM 530 C6 T R 3 34.338 69.912 94.056 0.50 44.88 C ATOM 531 P A R 4 33.684 71.592 87.976 0.50 52.52 P ATOM 532 O1P A R 4 34.246 70.253 88.224 0.50 54.29 O ATOM 533 O2P A R 4 32.680 71.761 86.907 0.50 52.18 O ATOM 534 O5* A R 4 34.875 72.617 87.657 0.50 52.86 O ATOM 535 C5* A R 4 35.633 73.205 88.714 0.50 52.34 C ATOM 536 C4* A R 4 37.104 72.909 88.532 0.50 49.56 C ATOM 537 O4* A R 4 37.613 72.147 89.636 0.50 48.65 O ATOM 538 C3* A R 4 37.462 72.111 87.301 0.50 49.01 C ATOM 539 O3* A R 4 38.565 72.723 86.805 0.50 54.66 O ATOM 540 C2* A R 4 37.868 70.772 87.853 0.50 47.39 C ATOM 541 C1* A R 4 38.488 71.200 89.151 0.50 48.06 C ATOM 542 N9 A R 4 38.332 70.153 90.084 0.50 44.24 N ATOM 543 C8 A R 4 37.276 69.365 90.323 0.50 42.59 C ATOM 544 N7 A R 4 37.528 68.460 91.232 0.50 41.77 N ATOM 545 C5 A R 4 38.825 68.694 91.623 0.50 41.25 C ATOM 546 C6 A R 4 39.658 68.095 92.568 0.50 39.64 C ATOM 547 N6 A R 4 39.284 67.087 93.327 0.50 39.20 N ATOM 548 N1 A R 4 40.891 68.573 92.738 0.50 47.90 N ATOM 549 C2 A R 4 41.259 69.606 91.995 0.50 46.18 C ATOM 550 N3 A R 4 40.561 70.263 91.065 0.50 44.79 N ATOM 551 C4 A R 4 39.333 69.750 90.928 0.50 43.37 C ATOM 552 P T R 5 39.216 72.303 85.420 0.50 63.59 P ATOM 553 O1P T R 5 38.205 72.505 84.343 0.50 62.39 O ATOM 554 O2P T R 5 40.495 73.048 85.364 0.50 65.06 O ATOM 555 O5* T R 5 39.580 70.745 85.619 0.50 61.52 O ATOM 556 C5* T R 5 40.794 70.177 85.074 0.50 58.98 C ATOM 557 C4* T R 5 42.084 70.775 85.655 0.50 57.16 C ATOM 558 O4* T R 5 41.898 71.126 87.047 0.50 54.80 O ATOM 559 C3* T R 5 43.325 69.859 85.631 0.50 59.08 C ATOM 560 O3* T R 5 44.191 70.124 84.491 0.50 67.82 O ATOM 561 C2* T R 5 44.027 70.181 86.935 0.50 56.23 C ATOM 562 C1* T R 5 42.871 70.472 87.832 0.50 54.22 C ATOM 563 N1 T R 5 42.305 69.240 88.382 0.50 53.51 N ATOM 564 C2 T R 5 43.048 68.438 89.238 0.50 53.56 C ATOM 565 O2 T R 5 44.203 68.684 89.557 0.50 54.07 O ATOM 566 N3 T R 5 42.375 67.357 89.749 0.50 52.84 N ATOM 567 C4 T R 5 41.069 67.040 89.478 0.50 52.11 C ATOM 568 O4 T R 5 40.565 66.061 89.984 0.50 51.77 O ATOM 569 C5 T R 5 40.394 67.900 88.565 0.50 52.33 C ATOM 570 C5M T R 5 38.984 67.625 88.192 0.50 52.85 C ATOM 571 C6 T R 5 41.020 68.942 88.063 0.50 52.77 C ATOM 572 P C R 6 45.730 70.625 84.582 0.50 75.99 P ATOM 573 O1P C R 6 46.389 70.328 83.279 0.50 77.95 O ATOM 574 O2P C R 6 45.749 72.013 85.117 0.50 76.95 O ATOM 575 O5* C R 6 46.379 69.655 85.668 0.50 72.30 O ATOM 576 C5* C R 6 46.995 70.157 86.828 0.50 69.31 C ATOM 577 C4* C R 6 47.856 69.014 87.279 0.50 67.36 C ATOM 578 O4* C R 6 47.053 68.133 88.134 0.50 64.17 O ATOM 579 C3* C R 6 48.233 68.197 86.034 0.50 68.89 C ATOM 580 O3* C R 6 49.652 67.786 85.968 0.50 77.15 O ATOM 581 C2* C R 6 47.250 67.027 86.088 0.50 65.51 C ATOM 582 C1* C R 6 47.085 66.819 87.595 0.50 60.51 C ATOM 583 N1 C R 6 45.821 66.073 87.885 0.50 59.89 N ATOM 584 C2 C R 6 45.824 64.974 88.760 0.50 59.22 C ATOM 585 O2 C R 6 46.866 64.678 89.345 0.50 59.26 O ATOM 586 N3 C R 6 44.672 64.307 88.997 0.50 58.57 N ATOM 587 C4 C R 6 43.567 64.694 88.357 0.50 59.56 C ATOM 588 N4 C R 6 42.442 64.009 88.575 0.50 59.85 N ATOM 589 C5 C R 6 43.554 65.788 87.425 0.50 59.83 C ATOM 590 C6 C R 6 44.693 66.438 87.211 0.50 59.85 C ATOM 591 P A R 7 50.408 67.377 84.582 0.50 80.40 P ATOM 592 O1P A R 7 49.413 66.828 83.609 0.50 82.23 O ATOM 593 O2P A R 7 51.225 68.546 84.162 0.50 81.50 O ATOM 594 O5* A R 7 51.374 66.206 85.129 0.50 75.08 O ATOM 595 C5* A R 7 51.524 66.174 86.539 0.50 71.72 C ATOM 596 C4* A R 7 51.804 64.765 86.993 0.50 69.74 C ATOM 597 O4* A R 7 50.567 64.098 87.395 0.50 67.48 O ATOM 598 C3* A R 7 52.435 63.855 85.938 0.50 70.20 C ATOM 599 O3* A R 7 53.087 62.799 86.688 0.50 77.68 O ATOM 600 C2* A R 7 51.170 63.377 85.221 0.50 67.45 C ATOM 601 C1* A R 7 50.242 63.088 86.423 0.50 63.78 C ATOM 602 N9 A R 7 48.771 63.010 86.143 0.50 63.15 N ATOM 603 C8 A R 7 47.955 63.685 85.260 0.50 63.23 C ATOM 604 N7 A R 7 46.676 63.360 85.336 0.50 63.00 N ATOM 605 C5 A R 7 46.633 62.380 86.316 0.50 62.34 C ATOM 606 C6 A R 7 45.559 61.620 86.854 0.50 62.03 C ATOM 607 N6 A R 7 44.285 61.721 86.455 0.50 61.72 N ATOM 608 N1 A R 7 45.858 60.732 87.822 0.50 57.27 N ATOM 609 C2 A R 7 47.146 60.600 88.200 0.50 58.84 C ATOM 610 N3 A R 7 48.233 61.255 87.771 0.50 60.33 N ATOM 611 C4 A R 7 47.914 62.140 86.815 0.50 61.89 C ATOM 612 P C R 8 53.797 61.457 86.167 0.50 79.74 P ATOM 613 O1P C R 8 54.050 61.563 84.701 0.50 80.00 O ATOM 614 O2P C R 8 54.861 61.085 87.128 0.50 80.42 O ATOM 615 O5* C R 8 52.677 60.387 86.480 0.50 77.94 O ATOM 616 C5* C R 8 52.505 59.982 87.832 0.50 74.86 C ATOM 617 C4* C R 8 52.059 58.530 87.771 0.50 72.13 C ATOM 618 O4* C R 8 50.600 58.444 87.603 0.50 68.71 O ATOM 619 C3* C R 8 52.668 57.805 86.560 0.50 72.62 C ATOM 620 O3* C R 8 53.045 56.433 86.890 0.50 79.06 O ATOM 621 C2* C R 8 51.570 57.913 85.489 0.50 68.49 C ATOM 622 C1* C R 8 50.282 57.880 86.332 0.50 63.94 C ATOM 623 N1 C R 8 49.106 58.582 85.657 0.50 62.84 N ATOM 624 C2 C R 8 47.787 58.077 85.795 0.50 61.64 C ATOM 625 O2 C R 8 47.573 57.093 86.525 0.50 61.71 O ATOM 626 N3 C R 8 46.776 58.686 85.112 0.50 60.16 N ATOM 627 C4 C R 8 47.046 59.741 84.323 0.50 61.36 C ATOM 628 N4 C R 8 46.023 60.303 83.664 0.50 61.82 N ATOM 629 C5 C R 8 48.375 60.259 84.157 0.50 61.92 C ATOM 630 C6 C R 8 49.364 59.642 84.814 0.50 62.46 C ATOM 631 P C R 9 53.055 55.289 85.756 0.50 80.82 P ATOM 632 O1P C R 9 53.460 55.896 84.445 0.50 79.74 O ATOM 633 O2P C R 9 53.762 54.110 86.337 0.50 81.77 O ATOM 634 O5* C R 9 51.487 54.945 85.674 0.50 79.77 O ATOM 635 C5* C R 9 50.779 54.333 86.762 0.50 74.46 C ATOM 636 C4* C R 9 50.254 53.004 86.263 0.50 68.29 C ATOM 637 O4* C R 9 48.969 53.202 85.627 0.50 64.70 O ATOM 638 C3* C R 9 51.158 52.408 85.193 0.50 68.78 C ATOM 639 O3* C R 9 51.286 51.013 85.396 0.50 76.80 O ATOM 640 C2* C R 9 50.539 52.827 83.862 0.50 64.68 C ATOM 641 C1* C R 9 49.073 53.013 84.230 0.50 61.20 C ATOM 642 N1 C R 9 48.467 54.178 83.522 0.50 60.00 N ATOM 643 C2 C R 9 47.071 54.408 83.572 0.50 59.01 C ATOM 644 O2 C R 9 46.339 53.652 84.262 0.50 59.60 O ATOM 645 N3 C R 9 46.570 55.467 82.870 0.50 57.21 N ATOM 646 C4 C R 9 47.394 56.238 82.146 0.50 57.90 C ATOM 647 N4 C R 9 46.871 57.257 81.451 0.50 58.12 N ATOM 648 C5 C R 9 48.799 56.002 82.085 0.50 58.50 C ATOM 649 C6 C R 9 49.291 54.975 82.778 0.50 59.20 C ATOM 650 P G R 10 50.604 49.877 84.496 0.50 78.16 P ATOM 651 O1P G R 10 50.811 50.189 83.050 0.50 79.11 O ATOM 652 O2P G R 10 51.136 48.604 85.029 0.50 81.78 O ATOM 653 O5* G R 10 49.041 49.946 84.903 0.50 76.12 O ATOM 654 C5* G R 10 48.391 48.878 85.669 0.50 71.06 C ATOM 655 C4* G R 10 46.987 48.496 85.166 0.50 63.66 C ATOM 656 O4* G R 10 46.329 49.579 84.460 0.50 60.63 O ATOM 657 C3* G R 10 46.917 47.307 84.230 0.50 63.53 C ATOM 658 O3* G R 10 45.771 46.559 84.536 0.50 70.96 O ATOM 659 C2* G R 10 46.832 47.931 82.843 0.50 59.83 C ATOM 660 C1* G R 10 46.048 49.203 83.130 0.50 56.76 C ATOM 661 N9 G R 10 46.364 50.293 82.206 0.50 55.55 N ATOM 662 C8 G R 10 47.602 50.570 81.707 0.50 55.09 C ATOM 663 N7 G R 10 47.611 51.546 80.849 0.50 54.85 N ATOM 664 C5 G R 10 46.292 51.926 80.741 0.50 54.67 C ATOM 665 C6 G R 10 45.714 52.927 79.934 0.50 54.35 C ATOM 666 O6 G R 10 46.291 53.686 79.158 0.50 54.34 O ATOM 667 N1 G R 10 44.333 53.017 80.096 0.50 55.53 N ATOM 668 C2 G R 10 43.600 52.215 80.942 0.50 55.51 C ATOM 669 N2 G R 10 42.272 52.444 80.967 0.50 55.37 N ATOM 670 N3 G R 10 44.140 51.255 81.708 0.50 55.51 N ATOM 671 C4 G R 10 45.496 51.165 81.560 0.50 55.22 C TER 672 G R 10 ATOM 673 P G S 11 45.703 57.927 70.443 0.50 70.05 P ATOM 674 O1P G S 11 47.064 58.357 70.854 0.50 70.71 O ATOM 675 O2P G S 11 44.936 58.702 69.417 0.50 71.92 O ATOM 676 O5* G S 11 44.851 57.798 71.796 0.50 66.72 O ATOM 677 C5* G S 11 43.437 57.924 71.790 0.50 61.95 C ATOM 678 C4* G S 11 42.908 57.179 72.995 0.50 57.44 C ATOM 679 O4* G S 11 43.814 56.095 73.302 0.50 55.07 O ATOM 680 C3* G S 11 42.811 57.996 74.291 0.50 57.60 C ATOM 681 O3* G S 11 41.557 57.834 74.906 0.50 61.93 O ATOM 682 C2* G S 11 43.829 57.343 75.202 0.50 55.73 C ATOM 683 C1* G S 11 43.757 55.930 74.691 0.50 53.75 C ATOM 684 N9 G S 11 44.892 55.126 75.093 0.50 52.84 N ATOM 685 C8 G S 11 46.240 55.244 74.868 0.50 52.62 C ATOM 686 N7 G S 11 46.930 54.283 75.412 0.50 52.45 N ATOM 687 C5 G S 11 45.977 53.481 76.026 0.50 52.42 C ATOM 688 C6 G S 11 46.122 52.278 76.758 0.50 52.65 C ATOM 689 O6 G S 11 47.157 51.670 77.039 0.50 52.97 O ATOM 690 N1 G S 11 44.905 51.800 77.224 0.50 50.53 N ATOM 691 C2 G S 11 43.692 52.396 76.986 0.50 50.83 C ATOM 692 N2 G S 11 42.617 51.774 77.494 0.50 50.61 N ATOM 693 N3 G S 11 43.536 53.513 76.285 0.50 51.45 N ATOM 694 C4 G S 11 44.718 53.997 75.846 0.50 52.20 C ATOM 695 P C S 12 40.328 58.780 74.587 0.50 57.21 P ATOM 696 O1P C S 12 39.845 59.328 75.870 0.50 58.22 O ATOM 697 O2P C S 12 40.728 59.694 73.495 0.50 62.30 O ATOM 698 O5* C S 12 39.285 57.744 73.957 0.50 54.35 O ATOM 699 C5* C S 12 38.073 57.453 74.592 0.50 52.84 C ATOM 700 C4* C S 12 38.241 56.423 75.693 0.50 50.90 C ATOM 701 O4* C S 12 39.613 56.134 76.005 0.50 49.94 O ATOM 702 C3* C S 12 37.615 56.848 77.003 0.50 51.14 C ATOM 703 O3* C S 12 36.329 56.251 77.080 0.50 50.10 O ATOM 704 C2* C S 12 38.593 56.410 78.107 0.50 50.55 C ATOM 705 C1* C S 12 39.681 55.680 77.341 0.50 50.89 C ATOM 706 N1 C S 12 41.064 55.937 77.857 0.50 50.28 N ATOM 707 C2 C S 12 41.809 54.934 78.518 0.50 49.96 C ATOM 708 O2 C S 12 41.318 53.816 78.729 0.50 49.90 O ATOM 709 N3 C S 12 43.065 55.220 78.929 0.50 49.75 N ATOM 710 C4 C S 12 43.577 56.425 78.698 0.50 49.81 C ATOM 711 N4 C S 12 44.814 56.677 79.130 0.50 49.93 N ATOM 712 C5 C S 12 42.845 57.448 78.034 0.50 49.89 C ATOM 713 C6 C S 12 41.609 57.163 77.635 0.50 50.03 C ATOM 714 P G S 13 35.711 55.975 78.500 0.50 40.23 P ATOM 715 O1P G S 13 35.949 57.150 79.364 0.50 41.54 O ATOM 716 O2P G S 13 34.367 55.511 78.163 0.50 40.61 O ATOM 717 O5* G S 13 36.566 54.816 79.153 0.50 36.47 O ATOM 718 C5* G S 13 35.961 54.203 80.246 0.50 39.51 C ATOM 719 C4* G S 13 36.741 54.276 81.543 0.50 44.29 C ATOM 720 O4* G S 13 38.141 54.590 81.400 0.50 47.04 O ATOM 721 C3* G S 13 36.183 55.204 82.589 0.50 43.99 C ATOM 722 O3* G S 13 36.048 54.451 83.676 0.50 38.64 O ATOM 723 C2* G S 13 37.299 56.179 82.885 0.50 47.37 C ATOM 724 C1* G S 13 38.549 55.412 82.481 0.50 49.46 C ATOM 725 N9 G S 13 39.572 56.319 81.959 0.50 49.91 N ATOM 726 C8 G S 13 39.511 57.401 81.111 0.50 49.74 C ATOM 727 N7 G S 13 40.679 57.904 80.826 0.50 49.86 N ATOM 728 C5 G S 13 41.570 57.090 81.517 0.50 49.92 C ATOM 729 C6 G S 13 42.973 57.160 81.616 0.50 49.55 C ATOM 730 O6 G S 13 43.730 57.970 81.069 0.50 49.66 O ATOM 731 N1 G S 13 43.483 56.125 82.389 0.50 54.97 N ATOM 732 C2 G S 13 42.715 55.186 83.048 0.50 53.30 C ATOM 733 N2 G S 13 43.350 54.279 83.817 0.50 53.21 N ATOM 734 N3 G S 13 41.396 55.132 82.985 0.50 51.89 N ATOM 735 C4 G S 13 40.900 56.114 82.212 0.50 50.53 C ATOM 736 P G S 14 34.941 55.008 84.599 0.50 33.52 P ATOM 737 O1P G S 14 35.067 56.466 84.548 0.50 30.21 O ATOM 738 O2P G S 14 33.726 54.313 84.173 0.50 31.14 O ATOM 739 O5* G S 14 35.399 54.363 85.979 0.50 34.56 O ATOM 740 C5* G S 14 36.272 55.055 86.843 0.50 38.84 C ATOM 741 C4* G S 14 37.710 54.550 86.821 0.50 43.82 C ATOM 742 O4* G S 14 38.390 55.076 85.649 0.50 46.46 O ATOM 743 C3* G S 14 38.571 55.001 87.998 0.50 43.21 C ATOM 744 O3* G S 14 38.374 54.147 89.128 0.50 40.05 O ATOM 745 C2* G S 14 39.976 54.915 87.418 0.50 45.61 C ATOM 746 C1* G S 14 39.765 55.142 85.922 0.50 49.56 C ATOM 747 N9 G S 14 40.192 56.414 85.377 0.50 49.81 N ATOM 748 C8 G S 14 39.509 57.336 84.639 0.50 49.45 C ATOM 749 N7 G S 14 40.238 58.344 84.261 0.50 49.60 N ATOM 750 C5 G S 14 41.506 58.063 84.764 0.50 50.15 C ATOM 751 C6 G S 14 42.733 58.763 84.634 0.50 49.79 C ATOM 752 O6 G S 14 42.949 59.812 84.051 0.50 50.01 O ATOM 753 N1 G S 14 43.793 58.136 85.246 0.50 57.35 N ATOM 754 C2 G S 14 43.684 56.967 85.935 0.50 55.29 C ATOM 755 N2 G S 14 44.825 56.497 86.450 0.50 55.26 N ATOM 756 N3 G S 14 42.551 56.273 86.063 0.50 53.34 N ATOM 757 C4 G S 14 41.497 56.872 85.443 0.50 51.10 C ATOM 758 P T S 15 38.416 54.713 90.640 0.50 47.03 P ATOM 759 O1P T S 15 37.728 56.010 90.650 0.50 49.58 O ATOM 760 O2P T S 15 37.948 53.694 91.605 0.50 43.88 O ATOM 761 O5* T S 15 39.982 54.967 90.882 0.50 48.46 O ATOM 762 C5* T S 15 40.864 53.879 91.239 0.50 49.80 C ATOM 763 C4* T S 15 42.312 54.318 91.346 0.50 51.43 C ATOM 764 O4* T S 15 42.677 55.173 90.223 0.50 52.11 O ATOM 765 C3* T S 15 42.568 55.136 92.603 0.50 52.57 C ATOM 766 O3* T S 15 43.720 54.710 93.270 0.50 54.81 O ATOM 767 C2* T S 15 42.696 56.577 92.135 0.50 52.72 C ATOM 768 C1* T S 15 43.176 56.418 90.704 0.50 52.86 C ATOM 769 N1 T S 15 42.805 57.578 89.819 0.50 53.84 N ATOM 770 C2 T S 15 43.807 58.373 89.400 0.50 54.76 C ATOM 771 O2 T S 15 44.941 58.121 89.706 0.50 55.32 O ATOM 772 N3 T S 15 43.464 59.428 88.601 0.50 55.66 N ATOM 773 C4 T S 15 42.197 59.769 88.200 0.50 55.27 C ATOM 774 O4 T S 15 42.018 60.751 87.477 0.50 55.34 O ATOM 775 C5 T S 15 41.168 58.905 88.711 0.50 54.81 C ATOM 776 C5M T S 15 39.741 59.161 88.354 0.50 54.98 C ATOM 777 C6 T S 15 41.507 57.885 89.508 0.50 54.38 C ATOM 778 P G S 16 43.504 53.850 94.604 0.50 65.30 P ATOM 779 O1P G S 16 42.049 53.702 94.897 0.50 66.28 O ATOM 780 O2P G S 16 44.345 52.647 94.430 0.50 68.80 O ATOM 781 O5* G S 16 44.159 54.776 95.730 0.50 64.81 O ATOM 782 C5* G S 16 43.726 56.125 95.780 0.50 63.20 C ATOM 783 C4* G S 16 44.851 57.134 95.573 0.50 60.74 C ATOM 784 O4* G S 16 44.764 57.709 94.231 0.50 58.66 O ATOM 785 C3* G S 16 44.763 58.299 96.563 0.50 61.45 C ATOM 786 O3* G S 16 45.852 58.258 97.532 0.50 67.41 O ATOM 787 C2* G S 16 44.649 59.585 95.720 0.50 58.52 C ATOM 788 C1* G S 16 44.846 59.129 94.274 0.50 55.64 C ATOM 789 N9 G S 16 43.872 59.709 93.351 0.50 53.94 N ATOM 790 C8 G S 16 42.512 59.545 93.185 0.50 53.09 C ATOM 791 N7 G S 16 42.023 60.247 92.204 0.50 52.27 N ATOM 792 C5 G S 16 43.120 60.949 91.719 0.50 51.96 C ATOM 793 C6 G S 16 43.201 61.906 90.690 0.50 50.91 C ATOM 794 O6 G S 16 42.304 62.307 89.967 0.50 50.30 O ATOM 795 N1 G S 16 44.481 62.376 90.505 0.50 56.95 N ATOM 796 C2 G S 16 45.558 61.967 91.250 0.50 55.80 C ATOM 797 N2 G S 16 46.728 62.531 90.935 0.50 56.19 N ATOM 798 N3 G S 16 45.515 61.063 92.220 0.50 54.36 N ATOM 799 C4 G S 16 44.259 60.621 92.408 0.50 53.27 C ATOM 800 P A S 17 46.058 59.274 98.779 0.50 72.75 P ATOM 801 O1P A S 17 44.808 60.041 99.087 0.50 74.34 O ATOM 802 O2P A S 17 46.657 58.464 99.880 0.50 73.87 O ATOM 803 O5* A S 17 47.169 60.275 98.140 0.50 69.35 O ATOM 804 C5* A S 17 47.216 60.706 96.759 0.50 64.37 C ATOM 805 C4* A S 17 47.466 62.208 96.672 0.50 62.69 C ATOM 806 O4* A S 17 47.224 62.674 95.314 0.50 60.56 O ATOM 807 C3* A S 17 46.623 63.086 97.616 0.50 63.89 C ATOM 808 O3* A S 17 47.381 63.740 98.693 0.50 70.64 O ATOM 809 C2* A S 17 46.015 64.162 96.729 0.50 61.58 C ATOM 810 C1* A S 17 46.489 63.894 95.303 0.50 57.92 C ATOM 811 N9 A S 17 45.247 63.771 94.556 0.50 56.23 N ATOM 812 C8 A S 17 44.148 63.027 94.853 0.50 55.58 C ATOM 813 N7 A S 17 43.119 63.275 94.086 0.50 55.43 N ATOM 814 C5 A S 17 43.536 64.306 93.275 0.50 55.31 C ATOM 815 C6 A S 17 42.875 65.000 92.247 0.50 55.19 C ATOM 816 N6 A S 17 41.629 64.691 91.903 0.50 55.26 N ATOM 817 N1 A S 17 43.532 65.997 91.604 0.50 53.21 N ATOM 818 C2 A S 17 44.786 66.259 92.008 0.50 54.12 C ATOM 819 N3 A S 17 45.525 65.669 92.976 0.50 54.91 N ATOM 820 C4 A S 17 44.831 64.677 93.584 0.50 55.51 C ATOM 821 P T S 18 47.924 65.280 98.713 0.50 73.07 P ATOM 822 O1P T S 18 46.826 66.210 99.127 0.50 68.31 O ATOM 823 O2P T S 18 49.166 65.227 99.525 0.50 75.62 O ATOM 824 O5* T S 18 48.365 65.562 97.176 0.50 71.57 O ATOM 825 C5* T S 18 49.422 66.431 96.678 0.50 68.65 C ATOM 826 C4* T S 18 48.880 67.732 96.068 0.50 65.59 C ATOM 827 O4* T S 18 47.723 67.453 95.198 0.50 62.68 O ATOM 828 C3* T S 18 48.381 68.698 97.151 0.50 66.99 C ATOM 829 O3* T S 18 48.646 70.113 96.926 0.50 76.25 O ATOM 830 C2* T S 18 46.893 68.416 97.124 0.50 63.93 C ATOM 831 C1* T S 18 46.648 68.280 95.620 0.50 59.62 C ATOM 832 N1 T S 18 45.234 67.728 95.399 0.50 55.08 N ATOM 833 C2 T S 18 44.385 68.220 94.416 0.50 52.71 C ATOM 834 O2 T S 18 44.730 68.968 93.522 0.50 52.97 O ATOM 835 N3 T S 18 43.102 67.738 94.462 0.50 50.26 N ATOM 836 C4 T S 18 42.559 66.913 95.416 0.50 50.35 C ATOM 837 O4 T S 18 41.391 66.569 95.310 0.50 49.95 O ATOM 838 C5 T S 18 43.462 66.520 96.461 0.50 51.35 C ATOM 839 C5M T S 18 43.026 65.619 97.568 0.50 51.39 C ATOM 840 C6 T S 18 44.714 66.962 96.414 0.50 53.02 C ATOM 841 P A S 19 47.840 71.342 97.682 0.50 84.12 P ATOM 842 O1P A S 19 46.666 70.867 98.485 0.50 83.10 O ATOM 843 O2P A S 19 48.828 72.210 98.397 0.50 87.32 O ATOM 844 O5* A S 19 47.328 72.095 96.352 0.50 81.51 O ATOM 845 C5* A S 19 47.382 73.499 96.158 0.50 76.16 C ATOM 846 C4* A S 19 45.962 73.945 95.939 0.50 69.60 C ATOM 847 O4* A S 19 45.191 72.744 95.726 0.50 66.42 O ATOM 848 C3* A S 19 45.334 74.608 97.150 0.50 70.45 C ATOM 849 O3* A S 19 45.257 76.059 97.012 0.50 81.71 O ATOM 850 C2* A S 19 43.956 73.937 97.266 0.50 66.56 C ATOM 851 C1* A S 19 43.850 73.004 96.052 0.50 62.78 C ATOM 852 N9 A S 19 43.136 71.727 96.302 0.50 61.03 N ATOM 853 C8 A S 19 43.468 70.626 97.050 0.50 61.01 C ATOM 854 N7 A S 19 42.539 69.691 97.099 0.50 60.65 N ATOM 855 C5 A S 19 41.518 70.192 96.319 0.50 59.80 C ATOM 856 C6 A S 19 40.243 69.671 96.004 0.50 59.87 C ATOM 857 N6 A S 19 39.802 68.478 96.412 0.50 60.08 N ATOM 858 N1 A S 19 39.436 70.419 95.247 0.50 49.99 N ATOM 859 C2 A S 19 39.914 71.600 94.824 0.50 53.39 C ATOM 860 N3 A S 19 41.088 72.211 95.057 0.50 56.23 N ATOM 861 C4 A S 19 41.862 71.443 95.823 0.50 59.01 C ATOM 862 P G S 20 45.684 76.978 95.730 0.50 89.20 P ATOM 863 O1P G S 20 45.740 78.388 96.188 0.50 90.58 O ATOM 864 O2P G S 20 46.880 76.398 95.046 0.50 91.34 O ATOM 865 O5* G S 20 44.427 76.916 94.723 0.50 86.39 O ATOM 866 C5* G S 20 43.307 76.030 94.955 0.50 81.61 C ATOM 867 C4* G S 20 42.152 76.685 95.725 0.50 73.77 C ATOM 868 O4* G S 20 40.948 75.824 95.710 0.50 69.92 O ATOM 869 C3* G S 20 42.385 76.851 97.228 0.50 73.09 C ATOM 870 O3* G S 20 43.378 77.839 97.589 0.50 74.72 O ATOM 871 C2* G S 20 40.941 77.169 97.650 0.50 69.99 C ATOM 872 C1* G S 20 40.221 76.007 96.933 0.50 64.79 C ATOM 873 N9 G S 20 40.189 74.754 97.729 0.50 65.47 N ATOM 874 C8 G S 20 41.011 74.442 98.797 0.50 65.72 C ATOM 875 N7 G S 20 40.752 73.292 99.360 0.50 65.82 N ATOM 876 C5 G S 20 39.662 72.802 98.642 0.50 65.87 C ATOM 877 C6 G S 20 38.929 71.587 98.801 0.50 65.92 C ATOM 878 O6 G S 20 39.100 70.667 99.621 0.50 65.93 O ATOM 879 N1 G S 20 37.901 71.478 97.871 0.50 66.31 N ATOM 880 C2 G S 20 37.610 72.421 96.918 0.50 66.32 C ATOM 881 N2 G S 20 36.585 72.119 96.109 0.50 66.47 N ATOM 882 N3 G S 20 38.282 73.564 96.753 0.50 66.12 N ATOM 883 C4 G S 20 39.295 73.695 97.646 0.50 65.81 C TER 884 G S 20 ATOM 885 P C T 11 45.704 57.928 70.443 0.50 70.05 P ATOM 886 O1P C T 11 47.065 58.357 70.854 0.50 70.71 O ATOM 887 O2P C T 11 44.936 58.703 69.417 0.50 71.92 O ATOM 888 O5* C T 11 44.851 57.799 71.796 0.50 66.72 O ATOM 889 C5* C T 11 43.438 57.925 71.790 0.50 61.95 C ATOM 890 C4* C T 11 42.909 57.180 72.995 0.50 57.44 C ATOM 891 O4* C T 11 43.815 56.096 73.302 0.50 55.07 O ATOM 892 C3* C T 11 42.812 57.997 74.291 0.50 57.60 C ATOM 893 O3* C T 11 41.557 57.835 74.906 0.50 61.93 O ATOM 894 C2* C T 11 43.830 57.344 75.202 0.50 55.73 C ATOM 895 C1* C T 11 43.757 55.931 74.691 0.50 53.75 C ATOM 896 N1 C T 11 44.929 55.194 75.094 0.50 53.73 N ATOM 897 C2 C T 11 44.802 54.214 76.069 0.50 53.70 C ATOM 898 O2 C T 11 43.682 53.975 76.530 0.50 53.65 O ATOM 899 N3 C T 11 45.911 53.546 76.457 0.50 53.76 N ATOM 900 C4 C T 11 47.092 53.861 75.919 0.50 53.85 C ATOM 901 N4 C T 11 48.170 53.181 76.322 0.50 54.10 N ATOM 902 C5 C T 11 47.234 54.889 74.943 0.50 53.80 C ATOM 903 C6 C T 11 46.135 55.531 74.562 0.50 53.73 C ATOM 904 P G T 12 40.328 58.781 74.587 0.50 57.21 P ATOM 905 O1P G T 12 39.845 59.329 75.870 0.50 58.22 O ATOM 906 O2P G T 12 40.728 59.695 73.495 0.50 62.30 O ATOM 907 O5* G T 12 39.284 57.745 73.957 0.50 54.35 O ATOM 908 C5* G T 12 38.073 57.454 74.592 0.50 52.84 C ATOM 909 C4* G T 12 38.241 56.424 75.693 0.50 50.90 C ATOM 910 O4* G T 12 39.612 56.135 76.005 0.50 49.94 O ATOM 911 C3* G T 12 37.615 56.849 77.003 0.50 51.14 C ATOM 912 O3* G T 12 36.329 56.252 77.080 0.50 50.10 O ATOM 913 C2* G T 12 38.593 56.411 78.107 0.50 50.55 C ATOM 914 C1* G T 12 39.680 55.681 77.341 0.50 50.89 C ATOM 915 N9 G T 12 41.026 55.957 77.820 0.50 51.02 N ATOM 916 C8 G T 12 41.944 56.929 77.514 0.50 50.88 C ATOM 917 N7 G T 12 43.083 56.777 78.123 0.50 50.89 N ATOM 918 C5 G T 12 42.900 55.639 78.889 0.50 51.07 C ATOM 919 C6 G T 12 43.778 54.984 79.766 0.50 51.15 C ATOM 920 O6 G T 12 44.901 55.337 80.110 0.50 51.46 O ATOM 921 N1 G T 12 43.196 53.871 80.350 0.50 50.90 N ATOM 922 C2 G T 12 41.936 53.415 80.086 0.50 51.19 C ATOM 923 N2 G T 12 41.545 52.315 80.740 0.50 50.92 N ATOM 924 N3 G T 12 41.102 54.007 79.256 0.50 52.08 N ATOM 925 C4 G T 12 41.649 55.113 78.701 0.50 51.38 C ATOM 926 P G T 13 35.711 55.976 78.500 0.50 40.23 P ATOM 927 O1P G T 13 35.949 57.151 79.364 0.50 41.54 O ATOM 928 O2P G T 13 34.366 55.512 78.163 0.50 40.61 O ATOM 929 O5* G T 13 36.566 54.817 79.153 0.50 36.47 O ATOM 930 C5* G T 13 35.961 54.204 80.246 0.50 39.51 C ATOM 931 C4* G T 13 36.741 54.277 81.543 0.50 44.29 C ATOM 932 O4* G T 13 38.140 54.591 81.400 0.50 47.04 O ATOM 933 C3* G T 13 36.182 55.205 82.589 0.50 43.99 C ATOM 934 O3* G T 13 36.048 54.452 83.676 0.50 38.64 O ATOM 935 C2* G T 13 37.298 56.180 82.885 0.50 47.37 C ATOM 936 C1* G T 13 38.549 55.413 82.481 0.50 49.46 C ATOM 937 N9 G T 13 39.572 56.320 81.959 0.50 49.91 N ATOM 938 C8 G T 13 39.511 57.402 81.111 0.50 49.74 C ATOM 939 N7 G T 13 40.679 57.905 80.826 0.50 49.86 N ATOM 940 C5 G T 13 41.569 57.091 81.517 0.50 49.92 C ATOM 941 C6 G T 13 42.973 57.161 81.616 0.50 49.55 C ATOM 942 O6 G T 13 43.730 57.971 81.069 0.50 49.66 O ATOM 943 N1 G T 13 43.483 56.126 82.389 0.50 54.97 N ATOM 944 C2 G T 13 42.714 55.187 83.048 0.50 53.30 C ATOM 945 N2 G T 13 43.350 54.280 83.817 0.50 53.21 N ATOM 946 N3 G T 13 41.396 55.133 82.985 0.50 51.89 N ATOM 947 C4 G T 13 40.900 56.115 82.212 0.50 50.53 C ATOM 948 P G T 14 34.941 55.009 84.599 0.50 33.52 P ATOM 949 O1P G T 14 35.067 56.467 84.548 0.50 30.21 O ATOM 950 O2P G T 14 33.725 54.314 84.173 0.50 31.14 O ATOM 951 O5* G T 14 35.398 54.364 85.979 0.50 34.56 O ATOM 952 C5* G T 14 36.272 55.056 86.843 0.50 38.84 C ATOM 953 C4* G T 14 37.710 54.551 86.821 0.50 43.82 C ATOM 954 O4* G T 14 38.390 55.077 85.649 0.50 46.46 O ATOM 955 C3* G T 14 38.571 55.002 87.998 0.50 43.21 C ATOM 956 O3* G T 14 38.374 54.148 89.128 0.50 40.05 O ATOM 957 C2* G T 14 39.976 54.916 87.418 0.50 45.61 C ATOM 958 C1* G T 14 39.765 55.143 85.922 0.50 49.56 C ATOM 959 N9 G T 14 40.191 56.415 85.377 0.50 49.81 N ATOM 960 C8 G T 14 39.509 57.337 84.639 0.50 49.45 C ATOM 961 N7 G T 14 40.238 58.345 84.261 0.50 49.60 N ATOM 962 C5 G T 14 41.505 58.064 84.764 0.50 50.15 C ATOM 963 C6 G T 14 42.732 58.764 84.634 0.50 49.79 C ATOM 964 O6 G T 14 42.949 59.813 84.051 0.50 50.01 O ATOM 965 N1 G T 14 43.793 58.137 85.246 0.50 57.35 N ATOM 966 C2 G T 14 43.684 56.968 85.935 0.50 55.29 C ATOM 967 N2 G T 14 44.825 56.498 86.450 0.50 55.26 N ATOM 968 N3 G T 14 42.551 56.274 86.063 0.50 53.34 N ATOM 969 C4 G T 14 41.497 56.873 85.443 0.50 51.10 C ATOM 970 P T T 15 38.416 54.714 90.640 0.50 47.03 P ATOM 971 O1P T T 15 37.727 56.011 90.650 0.50 49.58 O ATOM 972 O2P T T 15 37.948 53.695 91.605 0.50 43.88 O ATOM 973 O5* T T 15 39.982 54.968 90.882 0.50 48.46 O ATOM 974 C5* T T 15 40.864 53.880 91.239 0.50 49.80 C ATOM 975 C4* T T 15 42.311 54.319 91.346 0.50 51.43 C ATOM 976 O4* T T 15 42.677 55.174 90.223 0.50 52.11 O ATOM 977 C3* T T 15 42.568 55.137 92.603 0.50 52.57 C ATOM 978 O3* T T 15 43.720 54.711 93.270 0.50 54.81 O ATOM 979 C2* T T 15 42.695 56.578 92.136 0.50 52.72 C ATOM 980 C1* T T 15 43.176 56.419 90.704 0.50 52.86 C ATOM 981 N1 T T 15 42.804 57.579 89.819 0.50 53.84 N ATOM 982 C2 T T 15 43.807 58.374 89.400 0.50 54.76 C ATOM 983 O2 T T 15 44.941 58.122 89.706 0.50 55.32 O ATOM 984 N3 T T 15 43.464 59.429 88.601 0.50 55.66 N ATOM 985 C4 T T 15 42.197 59.770 88.200 0.50 55.27 C ATOM 986 O4 T T 15 42.018 60.752 87.477 0.50 55.34 O ATOM 987 C5 T T 15 41.168 58.906 88.711 0.50 54.81 C ATOM 988 C5M T T 15 39.741 59.162 88.354 0.50 54.98 C ATOM 989 C6 T T 15 41.507 57.886 89.508 0.50 54.38 C ATOM 990 P G T 16 43.504 53.851 94.604 0.50 65.30 P ATOM 991 O1P G T 16 42.048 53.703 94.897 0.50 66.28 O ATOM 992 O2P G T 16 44.344 52.648 94.431 0.50 68.80 O ATOM 993 O5* G T 16 44.159 54.777 95.730 0.50 64.81 O ATOM 994 C5* G T 16 43.725 56.126 95.780 0.50 63.20 C ATOM 995 C4* G T 16 44.851 57.135 95.573 0.50 60.74 C ATOM 996 O4* G T 16 44.764 57.710 94.231 0.50 58.66 O ATOM 997 C3* G T 16 44.763 58.300 96.563 0.50 61.45 C ATOM 998 O3* G T 16 45.852 58.259 97.532 0.50 67.41 O ATOM 999 C2* G T 16 44.649 59.586 95.720 0.50 58.52 C ATOM 1000 C1* G T 16 44.846 59.130 94.274 0.50 55.64 C ATOM 1001 N9 G T 16 43.872 59.710 93.351 0.50 53.94 N ATOM 1002 C8 G T 16 42.512 59.546 93.185 0.50 53.09 C ATOM 1003 N7 G T 16 42.023 60.248 92.204 0.50 52.27 N ATOM 1004 C5 G T 16 43.120 60.950 91.719 0.50 51.96 C ATOM 1005 C6 G T 16 43.201 61.907 90.690 0.50 50.91 C ATOM 1006 O6 G T 16 42.304 62.308 89.967 0.50 50.30 O ATOM 1007 N1 G T 16 44.481 62.377 90.505 0.50 56.95 N ATOM 1008 C2 G T 16 45.558 61.968 91.251 0.50 55.80 C ATOM 1009 N2 G T 16 46.728 62.532 90.935 0.50 56.19 N ATOM 1010 N3 G T 16 45.515 61.064 92.220 0.50 54.36 N ATOM 1011 C4 G T 16 44.259 60.622 92.408 0.50 53.27 C ATOM 1012 P A T 17 46.058 59.275 98.779 0.50 72.75 P ATOM 1013 O1P A T 17 44.808 60.042 99.087 0.50 74.34 O ATOM 1014 O2P A T 17 46.657 58.465 99.880 0.50 73.87 O ATOM 1015 O5* A T 17 47.169 60.276 98.140 0.50 69.35 O ATOM 1016 C5* A T 17 47.216 60.707 96.759 0.50 64.37 C ATOM 1017 C4* A T 17 47.466 62.209 96.672 0.50 62.69 C ATOM 1018 O4* A T 17 47.224 62.675 95.314 0.50 60.56 O ATOM 1019 C3* A T 17 46.623 63.087 97.616 0.50 63.89 C ATOM 1020 O3* A T 17 47.381 63.741 98.693 0.50 70.64 O ATOM 1021 C2* A T 17 46.015 64.163 96.729 0.50 61.58 C ATOM 1022 C1* A T 17 46.489 63.895 95.303 0.50 57.92 C ATOM 1023 N9 A T 17 45.247 63.772 94.556 0.50 56.23 N ATOM 1024 C8 A T 17 44.148 63.028 94.853 0.50 55.58 C ATOM 1025 N7 A T 17 43.119 63.276 94.086 0.50 55.43 N ATOM 1026 C5 A T 17 43.536 64.307 93.275 0.50 55.31 C ATOM 1027 C6 A T 17 42.875 65.001 92.247 0.50 55.19 C ATOM 1028 N6 A T 17 41.629 64.692 91.903 0.50 55.26 N ATOM 1029 N1 A T 17 43.532 65.998 91.604 0.50 53.21 N ATOM 1030 C2 A T 17 44.786 66.260 92.008 0.50 54.12 C ATOM 1031 N3 A T 17 45.525 65.670 92.976 0.50 54.91 N ATOM 1032 C4 A T 17 44.831 64.678 93.584 0.50 55.51 C ATOM 1033 P T T 18 47.924 65.281 98.713 0.50 73.07 P ATOM 1034 O1P T T 18 46.826 66.211 99.127 0.50 68.31 O ATOM 1035 O2P T T 18 49.166 65.227 99.525 0.50 75.62 O ATOM 1036 O5* T T 18 48.365 65.563 97.176 0.50 71.57 O ATOM 1037 C5* T T 18 49.422 66.432 96.678 0.50 68.65 C ATOM 1038 C4* T T 18 48.880 67.733 96.068 0.50 65.59 C ATOM 1039 O4* T T 18 47.723 67.454 95.198 0.50 62.68 O ATOM 1040 C3* T T 18 48.381 68.699 97.152 0.50 66.99 C ATOM 1041 O3* T T 18 48.646 70.114 96.926 0.50 76.25 O ATOM 1042 C2* T T 18 46.893 68.417 97.124 0.50 63.93 C ATOM 1043 C1* T T 18 46.648 68.281 95.620 0.50 59.62 C ATOM 1044 N1 T T 18 45.234 67.729 95.399 0.50 55.08 N ATOM 1045 C2 T T 18 44.385 68.221 94.417 0.50 52.71 C ATOM 1046 O2 T T 18 44.730 68.969 93.522 0.50 52.97 O ATOM 1047 N3 T T 18 43.102 67.739 94.462 0.50 50.26 N ATOM 1048 C4 T T 18 42.559 66.914 95.417 0.50 50.35 C ATOM 1049 O4 T T 18 41.391 66.570 95.310 0.50 49.95 O ATOM 1050 C5 T T 18 43.462 66.521 96.461 0.50 51.35 C ATOM 1051 C5M T T 18 43.026 65.620 97.569 0.50 51.39 C ATOM 1052 C6 T T 18 44.714 66.963 96.414 0.50 53.02 C ATOM 1053 P A T 19 47.840 71.343 97.682 0.50 84.12 P ATOM 1054 O1P A T 19 46.666 70.868 98.485 0.50 83.10 O ATOM 1055 O2P A T 19 48.828 72.211 98.398 0.50 87.32 O ATOM 1056 O5* A T 19 47.328 72.096 96.352 0.50 81.51 O ATOM 1057 C5* A T 19 47.382 73.500 96.158 0.50 76.16 C ATOM 1058 C4* A T 19 45.962 73.946 95.939 0.50 69.60 C ATOM 1059 O4* A T 19 45.191 72.745 95.726 0.50 66.42 O ATOM 1060 C3* A T 19 45.334 74.609 97.150 0.50 70.45 C ATOM 1061 O3* A T 19 45.257 76.060 97.012 0.50 81.71 O ATOM 1062 C2* A T 19 43.956 73.938 97.266 0.50 66.56 C ATOM 1063 C1* A T 19 43.850 73.005 96.052 0.50 62.78 C ATOM 1064 N9 A T 19 43.136 71.728 96.303 0.50 61.03 N ATOM 1065 C8 A T 19 43.468 70.627 97.051 0.50 61.01 C ATOM 1066 N7 A T 19 42.539 69.692 97.099 0.50 60.65 N ATOM 1067 C5 A T 19 41.518 70.193 96.319 0.50 59.80 C ATOM 1068 C6 A T 19 40.243 69.672 96.004 0.50 59.87 C ATOM 1069 N6 A T 19 39.802 68.479 96.412 0.50 60.08 N ATOM 1070 N1 A T 19 39.436 70.420 95.247 0.50 49.99 N ATOM 1071 C2 A T 19 39.914 71.601 94.824 0.50 53.39 C ATOM 1072 N3 A T 19 41.088 72.212 95.057 0.50 56.23 N ATOM 1073 C4 A T 19 41.862 71.444 95.823 0.50 59.01 C ATOM 1074 P C T 20 45.684 76.979 95.730 0.50 89.20 P ATOM 1075 O1P C T 20 45.740 78.389 96.188 0.50 90.58 O ATOM 1076 O2P C T 20 46.880 76.399 95.046 0.50 91.34 O ATOM 1077 O5* C T 20 44.427 76.917 94.723 0.50 86.39 O ATOM 1078 C5* C T 20 43.307 76.031 94.955 0.50 81.61 C ATOM 1079 C4* C T 20 42.152 76.686 95.725 0.50 73.77 C ATOM 1080 O4* C T 20 40.948 75.825 95.710 0.50 69.92 O ATOM 1081 C3* C T 20 42.385 76.852 97.228 0.50 73.09 C ATOM 1082 O3* C T 20 43.378 77.840 97.589 0.50 74.72 O ATOM 1083 C2* C T 20 40.941 77.170 97.650 0.50 69.99 C ATOM 1084 C1* C T 20 40.221 76.008 96.933 0.50 64.79 C ATOM 1085 N1 C T 20 40.202 74.742 97.756 0.50 61.60 N ATOM 1086 C2 C T 20 39.023 74.005 97.816 0.50 61.80 C ATOM 1087 O2 C T 20 38.059 74.384 97.140 0.50 61.77 O ATOM 1088 N3 C T 20 38.986 72.889 98.589 0.50 62.08 N ATOM 1089 C4 C T 20 40.059 72.530 99.307 0.50 62.23 C ATOM 1090 N4 C T 20 39.967 71.422 100.053 0.50 62.53 N ATOM 1091 C5 C T 20 41.268 73.290 99.293 0.50 62.01 C ATOM 1092 C6 C T 20 41.282 74.385 98.523 0.50 61.87 C TER 1093 C T 20 ATOM 1094 O5* T U 1 27.250 70.152 97.809 0.50 53.78 O ATOM 1095 C5* T U 1 25.903 69.850 98.121 0.50 53.21 C ATOM 1096 C4* T U 1 25.877 69.845 99.615 0.50 54.40 C ATOM 1097 O4* T U 1 24.650 69.281 100.112 0.50 54.57 O ATOM 1098 C3* T U 1 26.984 68.979 100.182 0.50 54.47 C ATOM 1099 O3* T U 1 28.149 69.759 100.315 0.50 54.20 O ATOM 1100 C2* T U 1 26.428 68.559 101.532 0.50 54.41 C ATOM 1101 C1* T U 1 24.910 68.828 101.430 0.50 53.39 C ATOM 1102 N1 T U 1 24.025 67.609 101.422 0.50 53.55 N ATOM 1103 C2 T U 1 24.322 66.587 100.542 0.50 53.31 C ATOM 1104 O2 T U 1 25.354 66.559 99.905 0.50 53.31 O ATOM 1105 N3 T U 1 23.394 65.569 100.488 0.50 53.27 N ATOM 1106 C4 T U 1 22.188 65.502 101.180 0.50 53.42 C ATOM 1107 O4 T U 1 21.454 64.522 101.061 0.50 53.29 O ATOM 1108 C5 T U 1 21.906 66.632 102.035 0.50 53.73 C ATOM 1109 C5M T U 1 20.648 66.652 102.855 0.50 53.79 C ATOM 1110 C6 T U 1 22.808 67.635 102.089 0.50 53.79 C ATOM 1111 P G U 2 29.542 69.159 99.815 0.50 53.74 P ATOM 1112 O1P G U 2 30.390 68.888 100.998 0.50 59.16 O ATOM 1113 O2P G U 2 29.341 68.099 98.803 0.50 54.91 O ATOM 1114 O5* G U 2 30.120 70.356 99.017 0.50 48.13 O ATOM 1115 C5* G U 2 30.028 70.065 97.687 0.50 49.15 C ATOM 1116 C4* G U 2 29.967 71.358 96.930 0.50 49.89 C ATOM 1117 O4* G U 2 30.504 72.395 97.769 0.50 50.25 O ATOM 1118 C3* G U 2 30.866 71.329 95.721 0.50 50.16 C ATOM 1119 O3* G U 2 30.022 71.268 94.641 0.50 49.62 O ATOM 1120 C2* G U 2 31.622 72.646 95.780 0.50 50.39 C ATOM 1121 C1* G U 2 31.753 72.803 97.281 0.50 50.18 C ATOM 1122 N9 G U 2 32.796 71.975 97.857 0.50 52.36 N ATOM 1123 C8 G U 2 32.822 71.017 98.841 0.50 52.81 C ATOM 1124 N7 G U 2 34.012 70.512 99.041 0.50 53.18 N ATOM 1125 C5 G U 2 34.815 71.187 98.130 0.50 53.47 C ATOM 1126 C6 G U 2 36.193 71.076 97.875 0.50 53.09 C ATOM 1127 O6 G U 2 37.018 70.333 98.415 0.50 53.04 O ATOM 1128 N1 G U 2 36.590 71.942 96.869 0.50 57.78 N ATOM 1129 C2 G U 2 35.764 72.811 96.198 0.50 57.80 C ATOM 1130 N2 G U 2 36.332 73.576 95.251 0.50 57.96 N ATOM 1131 N3 G U 2 34.473 72.924 96.432 0.50 57.86 N ATOM 1132 C4 G U 2 34.076 72.083 97.403 0.50 54.45 C ATOM 1133 P T U 3 30.230 69.961 93.800 0.50 42.14 P ATOM 1134 O1P T U 3 30.696 68.849 94.692 0.50 36.27 O ATOM 1135 O2P T U 3 29.007 69.905 92.960 0.50 40.91 O ATOM 1136 O5* T U 3 31.415 70.503 92.905 0.50 40.73 O ATOM 1137 C5* T U 3 31.124 71.607 92.071 0.50 39.82 C ATOM 1138 C4* T U 3 32.451 72.092 91.568 0.50 42.66 C ATOM 1139 O4* T U 3 33.369 71.906 92.657 0.50 44.70 O ATOM 1140 C3* T U 3 32.989 71.258 90.442 0.50 42.94 C ATOM 1141 O3* T U 3 33.083 72.112 89.360 0.50 45.41 O ATOM 1142 C2* T U 3 34.350 70.755 90.919 0.50 44.35 C ATOM 1143 C1* T U 3 34.608 71.498 92.201 0.50 46.98 C ATOM 1144 N1 T U 3 35.159 70.652 93.249 0.50 45.61 N ATOM 1145 C2 T U 3 36.513 70.657 93.441 0.50 46.28 C ATOM 1146 O2 T U 3 37.253 71.316 92.741 0.50 46.54 O ATOM 1147 N3 T U 3 36.984 69.850 94.458 0.50 46.99 N ATOM 1148 C4 T U 3 36.231 69.052 95.284 0.50 44.95 C ATOM 1149 O4 T U 3 36.802 68.380 96.127 0.50 43.57 O ATOM 1150 C5 T U 3 34.798 69.120 95.051 0.50 44.74 C ATOM 1151 C5M T U 3 33.846 68.315 95.896 0.50 44.56 C ATOM 1152 C6 T U 3 34.338 69.913 94.056 0.50 44.88 C ATOM 1153 P A U 4 33.684 71.593 87.976 0.50 52.52 P ATOM 1154 O1P A U 4 34.246 70.254 88.224 0.50 54.29 O ATOM 1155 O2P A U 4 32.680 71.762 86.907 0.50 52.18 O ATOM 1156 O5* A U 4 34.875 72.618 87.657 0.50 52.86 O ATOM 1157 C5* A U 4 35.633 73.206 88.714 0.50 52.34 C ATOM 1158 C4* A U 4 37.104 72.910 88.532 0.50 49.56 C ATOM 1159 O4* A U 4 37.613 72.148 89.636 0.50 48.65 O ATOM 1160 C3* A U 4 37.462 72.112 87.301 0.50 49.01 C ATOM 1161 O3* A U 4 38.565 72.724 86.805 0.50 54.66 O ATOM 1162 C2* A U 4 37.868 70.773 87.853 0.50 47.39 C ATOM 1163 C1* A U 4 38.488 71.201 89.151 0.50 48.06 C ATOM 1164 N9 A U 4 38.332 70.154 90.084 0.50 44.24 N ATOM 1165 C8 A U 4 37.276 69.366 90.323 0.50 42.59 C ATOM 1166 N7 A U 4 37.528 68.461 91.232 0.50 41.77 N ATOM 1167 C5 A U 4 38.825 68.695 91.623 0.50 41.25 C ATOM 1168 C6 A U 4 39.658 68.096 92.568 0.50 39.64 C ATOM 1169 N6 A U 4 39.284 67.088 93.327 0.50 39.20 N ATOM 1170 N1 A U 4 40.891 68.574 92.738 0.50 47.90 N ATOM 1171 C2 A U 4 41.259 69.607 91.995 0.50 46.18 C ATOM 1172 N3 A U 4 40.561 70.264 91.065 0.50 44.79 N ATOM 1173 C4 A U 4 39.333 69.751 90.928 0.50 43.37 C ATOM 1174 P T U 5 39.216 72.304 85.420 0.50 63.59 P ATOM 1175 O1P T U 5 38.205 72.506 84.343 0.50 62.39 O ATOM 1176 O2P T U 5 40.495 73.049 85.364 0.50 65.06 O ATOM 1177 O5* T U 5 39.580 70.746 85.619 0.50 61.52 O ATOM 1178 C5* T U 5 40.794 70.178 85.074 0.50 58.98 C ATOM 1179 C4* T U 5 42.084 70.776 85.655 0.50 57.16 C ATOM 1180 O4* T U 5 41.898 71.127 87.047 0.50 54.80 O ATOM 1181 C3* T U 5 43.325 69.860 85.631 0.50 59.08 C ATOM 1182 O3* T U 5 44.191 70.125 84.491 0.50 67.82 O ATOM 1183 C2* T U 5 44.027 70.182 86.935 0.50 56.23 C ATOM 1184 C1* T U 5 42.871 70.473 87.832 0.50 54.22 C ATOM 1185 N1 T U 5 42.305 69.241 88.382 0.50 53.51 N ATOM 1186 C2 T U 5 43.048 68.439 89.238 0.50 53.56 C ATOM 1187 O2 T U 5 44.203 68.685 89.557 0.50 54.07 O ATOM 1188 N3 T U 5 42.375 67.358 89.749 0.50 52.84 N ATOM 1189 C4 T U 5 41.069 67.041 89.478 0.50 52.11 C ATOM 1190 O4 T U 5 40.565 66.062 89.984 0.50 51.77 O ATOM 1191 C5 T U 5 40.394 67.901 88.565 0.50 52.33 C ATOM 1192 C5M T U 5 38.984 67.626 88.192 0.50 52.85 C ATOM 1193 C6 T U 5 41.020 68.943 88.063 0.50 52.77 C ATOM 1194 P C U 6 45.730 70.626 84.582 0.50 75.99 P ATOM 1195 O1P C U 6 46.389 70.329 83.279 0.50 77.95 O ATOM 1196 O2P C U 6 45.749 72.014 85.117 0.50 76.95 O ATOM 1197 O5* C U 6 46.379 69.656 85.668 0.50 72.30 O ATOM 1198 C5* C U 6 46.995 70.158 86.828 0.50 69.31 C ATOM 1199 C4* C U 6 47.856 69.015 87.279 0.50 67.36 C ATOM 1200 O4* C U 6 47.053 68.134 88.134 0.50 64.17 O ATOM 1201 C3* C U 6 48.233 68.198 86.034 0.50 68.89 C ATOM 1202 O3* C U 6 49.652 67.787 85.968 0.50 77.15 O ATOM 1203 C2* C U 6 47.250 67.028 86.088 0.50 65.51 C ATOM 1204 C1* C U 6 47.085 66.820 87.595 0.50 60.51 C ATOM 1205 N1 C U 6 45.821 66.074 87.885 0.50 59.89 N ATOM 1206 C2 C U 6 45.824 64.975 88.760 0.50 59.22 C ATOM 1207 O2 C U 6 46.866 64.679 89.345 0.50 59.26 O ATOM 1208 N3 C U 6 44.672 64.308 88.997 0.50 58.57 N ATOM 1209 C4 C U 6 43.567 64.695 88.357 0.50 59.56 C ATOM 1210 N4 C U 6 42.442 64.010 88.575 0.50 59.85 N ATOM 1211 C5 C U 6 43.554 65.789 87.425 0.50 59.83 C ATOM 1212 C6 C U 6 44.693 66.439 87.211 0.50 59.85 C ATOM 1213 P A U 7 50.408 67.378 84.582 0.50 80.40 P ATOM 1214 O1P A U 7 49.413 66.829 83.609 0.50 82.23 O ATOM 1215 O2P A U 7 51.225 68.547 84.162 0.50 81.50 O ATOM 1216 O5* A U 7 51.374 66.207 85.129 0.50 75.08 O ATOM 1217 C5* A U 7 51.524 66.175 86.539 0.50 71.72 C ATOM 1218 C4* A U 7 51.804 64.766 86.993 0.50 69.74 C ATOM 1219 O4* A U 7 50.567 64.099 87.395 0.50 67.48 O ATOM 1220 C3* A U 7 52.435 63.856 85.938 0.50 70.20 C ATOM 1221 O3* A U 7 53.087 62.800 86.688 0.50 77.68 O ATOM 1222 C2* A U 7 51.170 63.378 85.221 0.50 67.45 C ATOM 1223 C1* A U 7 50.242 63.089 86.423 0.50 63.78 C ATOM 1224 N9 A U 7 48.771 63.011 86.143 0.50 63.15 N ATOM 1225 C8 A U 7 47.955 63.686 85.260 0.50 63.23 C ATOM 1226 N7 A U 7 46.676 63.361 85.336 0.50 63.00 N ATOM 1227 C5 A U 7 46.633 62.381 86.316 0.50 62.34 C ATOM 1228 C6 A U 7 45.559 61.621 86.854 0.50 62.03 C ATOM 1229 N6 A U 7 44.285 61.722 86.455 0.50 61.72 N ATOM 1230 N1 A U 7 45.858 60.733 87.822 0.50 57.27 N ATOM 1231 C2 A U 7 47.146 60.601 88.200 0.50 58.84 C ATOM 1232 N3 A U 7 48.233 61.256 87.771 0.50 60.33 N ATOM 1233 C4 A U 7 47.914 62.141 86.815 0.50 61.89 C ATOM 1234 P C U 8 53.797 61.458 86.167 0.50 79.74 P ATOM 1235 O1P C U 8 54.050 61.564 84.701 0.50 80.00 O ATOM 1236 O2P C U 8 54.861 61.086 87.128 0.50 80.42 O ATOM 1237 O5* C U 8 52.677 60.388 86.480 0.50 77.94 O ATOM 1238 C5* C U 8 52.505 59.983 87.832 0.50 74.86 C ATOM 1239 C4* C U 8 52.058 58.531 87.771 0.50 72.13 C ATOM 1240 O4* C U 8 50.600 58.445 87.603 0.50 68.71 O ATOM 1241 C3* C U 8 52.668 57.806 86.560 0.50 72.62 C ATOM 1242 O3* C U 8 53.044 56.434 86.890 0.50 79.06 O ATOM 1243 C2* C U 8 51.569 57.914 85.489 0.50 68.49 C ATOM 1244 C1* C U 8 50.281 57.881 86.332 0.50 63.94 C ATOM 1245 N1 C U 8 49.106 58.583 85.657 0.50 62.84 N ATOM 1246 C2 C U 8 47.787 58.078 85.795 0.50 61.64 C ATOM 1247 O2 C U 8 47.573 57.094 86.525 0.50 61.71 O ATOM 1248 N3 C U 8 46.776 58.687 85.112 0.50 60.16 N ATOM 1249 C4 C U 8 47.046 59.742 84.323 0.50 61.36 C ATOM 1250 N4 C U 8 46.023 60.304 83.664 0.50 61.82 N ATOM 1251 C5 C U 8 48.375 60.260 84.157 0.50 61.92 C ATOM 1252 C6 C U 8 49.364 59.643 84.814 0.50 62.46 C ATOM 1253 P C U 9 53.055 55.290 85.756 0.50 80.82 P ATOM 1254 O1P C U 9 53.460 55.897 84.445 0.50 79.74 O ATOM 1255 O2P C U 9 53.762 54.111 86.337 0.50 81.77 O ATOM 1256 O5* C U 9 51.487 54.946 85.674 0.50 79.77 O ATOM 1257 C5* C U 9 50.779 54.334 86.762 0.50 74.46 C ATOM 1258 C4* C U 9 50.253 53.005 86.263 0.50 68.29 C ATOM 1259 O4* C U 9 48.968 53.203 85.627 0.50 64.70 O ATOM 1260 C3* C U 9 51.158 52.409 85.193 0.50 68.78 C ATOM 1261 O3* C U 9 51.285 51.014 85.396 0.50 76.80 O ATOM 1262 C2* C U 9 50.539 52.828 83.862 0.50 64.68 C ATOM 1263 C1* C U 9 49.073 53.014 84.230 0.50 61.20 C ATOM 1264 N1 C U 9 48.467 54.179 83.522 0.50 60.00 N ATOM 1265 C2 C U 9 47.071 54.409 83.572 0.50 59.01 C ATOM 1266 O2 C U 9 46.339 53.653 84.262 0.50 59.60 O ATOM 1267 N3 C U 9 46.570 55.468 82.870 0.50 57.21 N ATOM 1268 C4 C U 9 47.394 56.239 82.146 0.50 57.90 C ATOM 1269 N4 C U 9 46.871 57.258 81.451 0.50 58.12 N ATOM 1270 C5 C U 9 48.798 56.003 82.085 0.50 58.50 C ATOM 1271 C6 C U 9 49.291 54.976 82.778 0.50 59.20 C ATOM 1272 P C U 10 50.604 49.878 84.496 0.50 78.16 P ATOM 1273 O1P C U 10 50.810 50.190 83.050 0.50 79.11 O ATOM 1274 O2P C U 10 51.136 48.605 85.029 0.50 81.78 O ATOM 1275 O5* C U 10 49.040 49.946 84.903 0.50 76.12 O ATOM 1276 C5* C U 10 48.391 48.879 85.669 0.50 71.06 C ATOM 1277 C4* C U 10 46.987 48.497 85.166 0.50 63.66 C ATOM 1278 O4* C U 10 46.329 49.580 84.460 0.50 60.63 O ATOM 1279 C3* C U 10 46.916 47.308 84.230 0.50 63.53 C ATOM 1280 O3* C U 10 45.771 46.560 84.536 0.50 70.96 O ATOM 1281 C2* C U 10 46.832 47.932 82.843 0.50 59.83 C ATOM 1282 C1* C U 10 46.048 49.204 83.130 0.50 56.76 C ATOM 1283 N1 C U 10 46.429 50.335 82.253 0.50 53.88 N ATOM 1284 C2 C U 10 45.434 51.059 81.600 0.50 53.73 C ATOM 1285 O2 C U 10 44.253 50.724 81.764 0.50 54.16 O ATOM 1286 N3 C U 10 45.781 52.083 80.788 0.50 53.21 N ATOM 1287 C4 C U 10 47.053 52.398 80.643 0.50 52.93 C ATOM 1288 N4 C U 10 47.350 53.415 79.838 0.50 52.79 N ATOM 1289 C5 C U 10 48.081 51.681 81.312 0.50 53.22 C ATOM 1290 C6 C U 10 47.730 50.662 82.098 0.50 53.42 C TER 1291 C U 10 HETATM 1292 S SO4 400 12.675 64.145 90.292 0.34 20.45 S HETATM 1293 O1 SO4 400 13.515 64.980 89.450 0.34 20.24 O HETATM 1294 O2 SO4 400 11.258 64.631 90.200 0.34 20.35 O HETATM 1295 O3 SO4 400 13.157 64.239 91.711 0.34 20.34 O HETATM 1296 O4 SO4 400 12.766 62.730 89.809 0.34 20.33 O HETATM 1297 O HOH 101 27.181 60.859 103.040 1.00 56.52 O HETATM 1298 O HOH 102 23.243 70.688 80.004 1.00 57.18 O HETATM 1299 O HOH 103 12.014 58.628 88.270 1.00 59.61 O HETATM 1300 O HOH 104 15.766 60.713 92.966 1.00 30.35 O HETATM 1301 O HOH 105 28.417 65.067 98.371 1.00 37.51 O HETATM 1302 O HOH 106 53.576 63.168 83.161 1.00 60.30 O HETATM 1303 O HOH 107 36.173 52.747 92.687 1.00 65.64 O CONECT 1292 1293 1294 1295 1296 CONECT 1293 1292 CONECT 1294 1292 CONECT 1295 1292 CONECT 1296 1292 MASTER 374 0 1 3 3 5 0 6 1298 5 5 9 END