Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION REGULATOR/DNA 19-AUG-14 4R4E TITLE STRUCTURE OF GLNR-DNA COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR GLNR; COMPND 3 CHAIN: B, A; COMPND 4 ENGINEERED: YES; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: DNA (5'-D(*AP*TP*TP*CP*TP*GP*AP*CP*A)-3'); COMPND 7 CHAIN: D; COMPND 8 ENGINEERED: YES; COMPND 9 OTHER_DETAILS: COGNATE DNA; COMPND 10 MOL_ID: 3; COMPND 11 MOLECULE: DNA (5'-D(*TP*GP*TP*CP*AP*GP*TP*A)-3'); COMPND 12 CHAIN: E; COMPND 13 ENGINEERED: YES; COMPND 14 OTHER_DETAILS: COGNATE DNA (COMPLEMENT TO 2) SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; SOURCE 3 ORGANISM_TAXID: 224308; SOURCE 4 STRAIN: 168; SOURCE 5 GENE: GLNR, BSU17450; 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 DNA; SOURCE 11 ORGANISM_TAXID: 32630; SOURCE 12 MOL_ID: 3; SOURCE 13 SYNTHETIC: YES; SOURCE 14 ORGANISM_SCIENTIFIC: SYNTHETIC DNA; SOURCE 15 ORGANISM_TAXID: 32630 KEYWDS TNRA/GLNR FAMILY, B. SUBTILIS, NITROGEN HOMEOSTASIS, NEW MEMBER, KEYWDS 2 TNRA/GLNR DNA-BINDING FAMILY OF WINGED-HTH WITH C-TERMINAL KEYWDS 3 INDUCER/SENSOR DOMAIN, TRANSCRIPTION, DNA, GS-Q, NUCLEOID, KEYWDS 4 TRANSCRIPTION REGULATOR-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR M.A.SCHUMACHER REVDAT 1 04-MAR-15 4R4E 0 JRNL AUTH M.A.SCHUMACHER,N.B.CHINNAM,B.CUTHBERT,N.K.TONTHAT,T.WHITFILL JRNL TITL STRUCTURES OF REGULATORY MACHINERY REVEAL NOVEL MOLECULAR JRNL TITL 2 MECHANISMS CONTROLLING B. SUBTILIS NITROGEN HOMEOSTASIS. JRNL REF GENES DEV. V. 29 451 2015 JRNL REFN ISSN 0890-9369 JRNL PMID 25691471 JRNL DOI 10.1101/GAD.254714.114 REMARK 2 REMARK 2 RESOLUTION. 2.57 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.57 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 82.50 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.4 REMARK 3 NUMBER OF REFLECTIONS : 17019 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.254 REMARK 3 FREE R VALUE : 0.275 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 14.600 REMARK 3 FREE R VALUE TEST SET COUNT : 2571 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1350 REMARK 3 NUCLEIC ACID ATOMS : 342 REMARK 3 HETEROGEN ATOMS : 14 REMARK 3 SOLVENT ATOMS : 50 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 82.79 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 26.00100 REMARK 3 B22 (A**2) : -30.55400 REMARK 3 B33 (A**2) : 4.55300 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.007 REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 4.299 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 6.596 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 6.219 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 8.918 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : 93.07 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : CNS_TOPPAR:PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : CNS_TOPPAR:DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : CNS_TOPPAR:WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : CNS_TOPPAR:ION.PARAM REMARK 3 PARAMETER FILE 5 : CAPS.PARAM.TXT REMARK 3 PARAMETER FILE 6 : NULL REMARK 3 TOPOLOGY FILE 1 : CNS_TOPPAR:PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : CNS_TOPPAR:DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : CNS_TOPPAR:WATER.TOP REMARK 3 TOPOLOGY FILE 4 : CNS_TOPPAR:ION.TOP REMARK 3 TOPOLOGY FILE 5 : CAPS.TOP REMARK 3 TOPOLOGY FILE 6 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4R4E COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-AUG-14. REMARK 100 THE RCSB ID CODE IS RCSB086884. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-DEC-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 9.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ALS REMARK 200 BEAMLINE : 8.3.1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9790, 0.97999, 0.9250 REMARK 200 MONOCHROMATOR : DOUBLE FLAT CRYSTAL, SI(111) REMARK 200 OPTICS : SI(111) REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17350 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.520 REMARK 200 RESOLUTION RANGE LOW (A) : 82.500 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 200 DATA REDUNDANCY : 2.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.04100 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 18.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: SAME CRYSTAL FORM BUT SELENOMET SUBSTITUTED. THIS REMARK 200 STARTING MODEL WAS USED FOR FINAL REFINEMENT WITH THE 2.52 A REMARK 200 NATIVE DATA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 77.69 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 5.51 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 40% PEG 400, 0.1 M CAPS, PH 9.5, VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X,-Y+1/2,Z REMARK 290 7555 -X+1/2,Y,-Z REMARK 290 8555 X,-Y,-Z+1/2 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 38.17500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 68.57000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 51.65000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 68.57000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 38.17500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 51.65000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 38.17500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 51.65000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 68.57000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 51.65000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 38.17500 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 68.57000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, A, D, E REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 PRO A 84 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 N1 DA D 9 N1 DA D 9 6555 1.98 REMARK 500 O5' DA D 9 O3' DA E 9 6555 2.03 REMARK 500 O HOH D 101 O HOH D 101 6555 2.03 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 SER B 2 21.59 -72.73 REMARK 500 LEU B 11 -40.03 -130.44 REMARK 500 ILE B 14 -38.51 -38.29 REMARK 500 LEU A 11 -13.58 -157.20 REMARK 500 ALA A 40 -172.14 -60.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 111 DISTANCE = 5.67 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CXS A 101 DBREF 4R4E B 1 84 UNP P37582 GLNR_BACSU 1 84 DBREF 4R4E A 1 84 UNP P37582 GLNR_BACSU 1 84 DBREF 4R4E D 9 17 PDB 4R4E 4R4E 9 17 DBREF 4R4E E 2 9 PDB 4R4E 4R4E 2 9 SEQADV 4R4E THR B 42 UNP P37582 SER 42 CONFLICT SEQADV 4R4E THR A 42 UNP P37582 SER 42 CONFLICT SEQRES 1 B 84 MET SER ASP ASN ILE ARG ARG SER MET PRO LEU PHE PRO SEQRES 2 B 84 ILE GLY ILE VAL MET GLN LEU THR GLU LEU SER ALA ARG SEQRES 3 B 84 GLN ILE ARG TYR TYR GLU GLU ASN GLY LEU ILE PHE PRO SEQRES 4 B 84 ALA ARG THR GLU GLY ASN ARG ARG LEU PHE SER PHE HIS SEQRES 5 B 84 ASP VAL ASP LYS LEU LEU GLU ILE LYS HIS LEU ILE GLU SEQRES 6 B 84 GLN GLY VAL ASN MET ALA GLY ILE LYS GLN ILE LEU ALA SEQRES 7 B 84 LYS ALA GLU ALA GLU PRO SEQRES 1 A 84 MET SER ASP ASN ILE ARG ARG SER MET PRO LEU PHE PRO SEQRES 2 A 84 ILE GLY ILE VAL MET GLN LEU THR GLU LEU SER ALA ARG SEQRES 3 A 84 GLN ILE ARG TYR TYR GLU GLU ASN GLY LEU ILE PHE PRO SEQRES 4 A 84 ALA ARG THR GLU GLY ASN ARG ARG LEU PHE SER PHE HIS SEQRES 5 A 84 ASP VAL ASP LYS LEU LEU GLU ILE LYS HIS LEU ILE GLU SEQRES 6 A 84 GLN GLY VAL ASN MET ALA GLY ILE LYS GLN ILE LEU ALA SEQRES 7 A 84 LYS ALA GLU ALA GLU PRO SEQRES 1 D 9 DA DT DT DC DT DG DA DC DA SEQRES 1 E 8 DT DG DT DC DA DG DT DA HET CXS A 101 14 HETNAM CXS 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID FORMUL 5 CXS C9 H19 N O3 S FORMUL 6 HOH *50(H2 O) HELIX 1 1 ASP B 3 SER B 8 1 6 HELIX 2 2 ILE B 14 GLU B 22 1 9 HELIX 3 3 SER B 24 ASN B 34 1 11 HELIX 4 4 SER B 50 GLN B 66 1 17 HELIX 5 5 ASN B 69 GLU B 81 1 13 HELIX 6 6 SER A 2 MET A 9 1 8 HELIX 7 7 ILE A 14 GLU A 22 1 9 HELIX 8 8 SER A 24 ASN A 34 1 11 HELIX 9 9 SER A 50 GLN A 66 1 17 HELIX 10 10 ASN A 69 ALA A 82 1 14 SHEET 1 A 3 PHE B 12 PRO B 13 0 SHEET 2 A 3 ARG B 47 PHE B 49 -1 O PHE B 49 N PHE B 12 SHEET 3 A 3 ALA B 40 ARG B 41 -1 N ALA B 40 O LEU B 48 SHEET 1 B 3 PHE A 12 PRO A 13 0 SHEET 2 B 3 ARG A 47 PHE A 49 -1 O PHE A 49 N PHE A 12 SHEET 3 B 3 ALA A 40 ARG A 41 -1 N ALA A 40 O LEU A 48 SITE 1 AC1 7 ILE A 14 GLU A 33 GLY A 44 ASN A 45 SITE 2 AC1 7 ARG A 46 ARG A 47 HOH A 207 CRYST1 76.350 103.300 137.140 90.00 90.00 90.00 I 21 21 21 16 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 0.013098 0.000000 0.000000 0.00000 SCALE2 0.000000 0.009681 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007292 0.00000 ATOM 1 N MET B 1 11.800 27.423 0.742 1.00156.22 N ATOM 2 CA MET B 1 11.179 26.405 1.636 1.00157.62 C ATOM 3 C MET B 1 11.133 26.854 3.094 1.00157.44 C ATOM 4 O MET B 1 11.558 26.131 3.996 1.00158.87 O ATOM 5 CB MET B 1 11.928 25.069 1.513 1.00157.35 C ATOM 6 CG MET B 1 13.450 25.161 1.637 1.00157.79 C ATOM 7 SD MET B 1 14.096 25.239 3.331 1.00157.76 S ATOM 8 CE MET B 1 14.642 23.560 3.564 1.00155.88 C ATOM 9 N SER B 2 10.610 28.054 3.323 1.00154.99 N ATOM 10 CA SER B 2 10.503 28.589 4.675 1.00152.25 C ATOM 11 C SER B 2 9.403 27.866 5.445 1.00151.53 C ATOM 12 O SER B 2 8.877 28.383 6.431 1.00151.07 O ATOM 13 CB SER B 2 10.188 30.086 4.621 1.00151.83 C ATOM 14 OG SER B 2 10.098 30.645 5.921 1.00148.95 O ATOM 15 N ASP B 3 9.058 26.664 4.998 1.00150.94 N ATOM 16 CA ASP B 3 8.005 25.893 5.648 1.00150.67 C ATOM 17 C ASP B 3 8.582 25.001 6.741 1.00148.37 C ATOM 18 O ASP B 3 7.952 24.801 7.791 1.00150.12 O ATOM 19 CB ASP B 3 7.295 25.007 4.627 1.00153.12 C ATOM 20 CG ASP B 3 6.082 24.305 5.209 1.00156.69 C ATOM 21 OD1 ASP B 3 5.454 23.498 4.491 1.00157.82 O ATOM 22 OD2 ASP B 3 5.748 24.569 6.385 1.00159.31 O ATOM 23 N ASN B 4 9.784 24.474 6.494 1.00144.13 N ATOM 24 CA ASN B 4 10.365 23.560 7.457 1.00141.70 C ATOM 25 C ASN B 4 10.612 24.207 8.801 1.00139.94 C ATOM 26 O ASN B 4 10.395 23.572 9.833 1.00139.70 O ATOM 27 CB ASN B 4 11.676 22.883 6.959 1.00143.43 C ATOM 28 CG ASN B 4 11.486 21.471 6.412 1.00143.08 C ATOM 29 OD1 ASN B 4 10.545 20.765 6.731 1.00141.78 O ATOM 30 ND2 ASN B 4 12.435 21.063 5.557 1.00142.04 N ATOM 31 N ILE B 5 11.046 25.461 8.799 1.00136.55 N ATOM 32 CA ILE B 5 11.303 26.164 10.047 1.00132.43 C ATOM 33 C ILE B 5 9.989 26.317 10.802 1.00128.25 C ATOM 34 O ILE B 5 9.954 26.233 12.026 1.00127.52 O ATOM 35 CB ILE B 5 11.901 27.563 9.784 1.00133.12 C ATOM 36 CG1 ILE B 5 12.449 28.153 11.086 1.00133.74 C ATOM 37 CG2 ILE B 5 10.840 28.476 9.168 1.00136.19 C ATOM 38 CD1 ILE B 5 11.394 28.666 12.053 1.00130.40 C ATOM 39 N ARG B 6 8.906 26.531 10.064 1.00123.86 N ATOM 40 CA ARG B 6 7.602 26.679 10.685 1.00119.60 C ATOM 41 C ARG B 6 7.111 25.351 11.216 1.00115.61 C ATOM 42 O ARG B 6 6.402 25.308 12.217 1.00119.32 O ATOM 43 CB ARG B 6 6.579 27.236 9.689 1.00122.12 C ATOM 44 CG ARG B 6 6.688 28.729 9.453 1.00123.63 C ATOM 45 CD ARG B 6 5.478 29.264 8.700 1.00124.79 C ATOM 46 NE ARG B 6 5.544 30.715 8.530 1.00128.39 N ATOM 47 CZ ARG B 6 5.492 31.594 9.527 1.00130.87 C ATOM 48 NH1 ARG B 6 5.371 31.172 10.781 1.00134.79 N ATOM 49 NH2 ARG B 6 5.567 32.896 9.273 1.00129.86 N ATOM 50 N ARG B 7 7.489 24.266 10.547 1.00110.23 N ATOM 51 CA ARG B 7 7.054 22.943 10.969 1.00105.07 C ATOM 52 C ARG B 7 7.896 22.404 12.128 1.00 98.64 C ATOM 53 O ARG B 7 7.442 21.560 12.899 1.00 94.19 O ATOM 54 CB ARG B 7 7.074 21.969 9.782 1.00107.03 C ATOM 55 CG ARG B 7 6.207 20.746 10.017 1.00114.74 C ATOM 56 CD ARG B 7 5.976 19.903 8.775 1.00114.29 C ATOM 57 NE ARG B 7 4.770 19.088 8.930 1.00118.69 N ATOM 58 CZ ARG B 7 3.529 19.565 8.839 1.00118.66 C ATOM 59 NH1 ARG B 7 3.330 20.854 8.584 1.00117.64 N ATOM 60 NH2 ARG B 7 2.487 18.761 9.023 1.00115.03 N ATOM 61 N SER B 8 9.115 22.908 12.258 1.00 91.12 N ATOM 62 CA SER B 8 10.002 22.482 13.330 1.00 93.51 C ATOM 63 C SER B 8 9.947 23.529 14.425 1.00 94.25 C ATOM 64 O SER B 8 10.894 23.700 15.192 1.00 94.81 O ATOM 65 CB SER B 8 11.431 22.372 12.810 1.00 93.38 C ATOM 66 OG SER B 8 11.477 21.543 11.664 1.00108.51 O ATOM 67 N MET B 9 8.820 24.223 14.496 1.00 91.08 N ATOM 68 CA MET B 9 8.645 25.295 15.461 1.00 92.13 C ATOM 69 C MET B 9 7.747 24.914 16.641 1.00 90.52 C ATOM 70 O MET B 9 6.584 24.558 16.456 1.00 90.82 O ATOM 71 CB MET B 9 8.091 26.514 14.709 1.00 99.88 C ATOM 72 CG MET B 9 7.888 27.790 15.511 1.00107.97 C ATOM 73 SD MET B 9 7.702 29.218 14.387 1.00112.98 S ATOM 74 CE MET B 9 6.074 28.878 13.602 1.00108.76 C ATOM 75 N PRO B 10 8.286 24.974 17.874 1.00 87.21 N ATOM 76 CA PRO B 10 7.528 24.637 19.090 1.00 84.17 C ATOM 77 C PRO B 10 6.342 25.578 19.238 1.00 79.71 C ATOM 78 O PRO B 10 6.518 26.780 19.400 1.00 85.21 O ATOM 79 CB PRO B 10 8.550 24.835 20.209 1.00 78.28 C ATOM 80 CG PRO B 10 9.854 24.544 19.525 1.00 84.17 C ATOM 81 CD PRO B 10 9.693 25.262 18.203 1.00 87.10 C ATOM 82 N LEU B 11 5.134 25.038 19.190 1.00 76.73 N ATOM 83 CA LEU B 11 3.961 25.880 19.293 1.00 74.19 C ATOM 84 C LEU B 11 2.918 25.434 20.301 1.00 77.88 C ATOM 85 O LEU B 11 2.341 26.274 20.984 1.00 83.66 O ATOM 86 CB LEU B 11 3.301 26.009 17.925 1.00 77.34 C ATOM 87 CG LEU B 11 4.196 26.516 16.793 1.00 79.11 C ATOM 88 CD1 LEU B 11 3.415 26.456 15.479 1.00 77.28 C ATOM 89 CD2 LEU B 11 4.680 27.928 17.100 1.00 69.46 C ATOM 90 N PHE B 12 2.656 24.132 20.400 1.00 84.01 N ATOM 91 CA PHE B 12 1.637 23.665 21.345 1.00 87.25 C ATOM 92 C PHE B 12 2.102 22.725 22.429 1.00 83.47 C ATOM 93 O PHE B 12 3.040 21.948 22.247 1.00 86.42 O ATOM 94 CB PHE B 12 0.462 23.014 20.609 1.00 88.08 C ATOM 95 CG PHE B 12 0.737 22.741 19.176 1.00 94.16 C ATOM 96 CD1 PHE B 12 1.608 21.727 18.810 1.00 96.04 C ATOM 97 CD2 PHE B 12 0.184 23.550 18.187 1.00 95.34 C ATOM 98 CE1 PHE B 12 1.927 21.515 17.469 1.00101.31 C ATOM 99 CE2 PHE B 12 0.494 23.350 16.849 1.00 96.50 C ATOM 100 CZ PHE B 12 1.373 22.332 16.487 1.00 97.23 C ATOM 101 N PRO B 13 1.442 22.800 23.593 1.00 80.29 N ATOM 102 CA PRO B 13 1.745 21.969 24.755 1.00 78.61 C ATOM 103 C PRO B 13 0.992 20.633 24.687 1.00 77.50 C ATOM 104 O PRO B 13 -0.009 20.504 23.975 1.00 68.95 O ATOM 105 CB PRO B 13 1.290 22.843 25.912 1.00 77.42 C ATOM 106 CG PRO B 13 0.057 23.477 25.348 1.00 77.06 C ATOM 107 CD PRO B 13 0.492 23.870 23.951 1.00 71.27 C ATOM 108 N ILE B 14 1.495 19.657 25.442 1.00 79.60 N ATOM 109 CA ILE B 14 0.962 18.294 25.527 1.00 70.68 C ATOM 110 C ILE B 14 -0.577 18.195 25.503 1.00 73.85 C ATOM 111 O ILE B 14 -1.143 17.282 24.895 1.00 72.66 O ATOM 112 CB ILE B 14 1.509 17.623 26.810 1.00 66.89 C ATOM 113 CG1 ILE B 14 2.023 16.209 26.512 1.00 69.02 C ATOM 114 CG2 ILE B 14 0.435 17.626 27.892 1.00 65.26 C ATOM 115 CD1 ILE B 14 0.952 15.207 26.155 1.00 74.43 C ATOM 116 N GLY B 15 -1.243 19.135 26.166 1.00 72.94 N ATOM 117 CA GLY B 15 -2.694 19.133 26.212 1.00 70.47 C ATOM 118 C GLY B 15 -3.363 19.353 24.866 1.00 70.76 C ATOM 119 O GLY B 15 -4.349 18.690 24.563 1.00 74.11 O ATOM 120 N ILE B 16 -2.856 20.283 24.056 1.00 71.63 N ATOM 121 CA ILE B 16 -3.442 20.534 22.733 1.00 69.36 C ATOM 122 C ILE B 16 -3.150 19.336 21.823 1.00 68.48 C ATOM 123 O ILE B 16 -4.028 18.862 21.097 1.00 67.89 O ATOM 124 CB ILE B 16 -2.880 21.853 22.087 1.00 74.22 C ATOM 125 CG1 ILE B 16 -3.557 23.068 22.722 1.00 69.62 C ATOM 126 CG2 ILE B 16 -3.124 21.886 20.578 1.00 68.30 C ATOM 127 CD1 ILE B 16 -3.018 23.412 24.077 1.00 84.16 C ATOM 128 N VAL B 17 -1.914 18.844 21.885 1.00 68.06 N ATOM 129 CA VAL B 17 -1.492 17.694 21.092 1.00 65.86 C ATOM 130 C VAL B 17 -2.461 16.536 21.300 1.00 67.21 C ATOM 131 O VAL B 17 -2.898 15.889 20.351 1.00 68.01 O ATOM 132 CB VAL B 17 -0.078 17.226 21.493 1.00 63.74 C ATOM 133 CG1 VAL B 17 0.285 15.969 20.729 1.00 52.46 C ATOM 134 CG2 VAL B 17 0.936 18.341 21.223 1.00 63.53 C ATOM 135 N MET B 18 -2.794 16.277 22.553 1.00 65.96 N ATOM 136 CA MET B 18 -3.717 15.206 22.863 1.00 72.13 C ATOM 137 C MET B 18 -4.989 15.341 22.037 1.00 73.07 C ATOM 138 O MET B 18 -5.548 14.346 21.583 1.00 76.58 O ATOM 139 CB MET B 18 -4.056 15.234 24.349 1.00 69.02 C ATOM 140 CG MET B 18 -2.855 14.970 25.239 1.00 75.32 C ATOM 141 SD MET B 18 -3.205 15.267 26.972 1.00 80.45 S ATOM 142 CE MET B 18 -4.280 13.865 27.358 1.00 78.68 C ATOM 143 N GLN B 19 -5.440 16.572 21.837 1.00 76.32 N ATOM 144 CA GLN B 19 -6.660 16.817 21.072 1.00 81.29 C ATOM 145 C GLN B 19 -6.455 16.613 19.570 1.00 81.63 C ATOM 146 O GLN B 19 -7.374 16.198 18.858 1.00 81.10 O ATOM 147 CB GLN B 19 -7.172 18.237 21.349 1.00 84.19 C ATOM 148 CG GLN B 19 -7.739 18.430 22.746 1.00 90.74 C ATOM 149 CD GLN B 19 -9.099 17.773 22.919 1.00 97.08 C ATOM 150 OE1 GLN B 19 -10.094 18.224 22.351 1.00103.93 O ATOM 151 NE2 GLN B 19 -9.146 16.699 23.702 1.00100.08 N ATOM 152 N LEU B 20 -5.244 16.891 19.097 1.00 76.76 N ATOM 153 CA LEU B 20 -4.932 16.749 17.681 1.00 79.66 C ATOM 154 C LEU B 20 -4.593 15.321 17.243 1.00 83.65 C ATOM 155 O LEU B 20 -4.664 15.006 16.052 1.00 83.56 O ATOM 156 CB LEU B 20 -3.777 17.686 17.306 1.00 77.01 C ATOM 157 CG LEU B 20 -4.086 19.166 17.042 1.00 71.55 C ATOM 158 CD1 LEU B 20 -4.863 19.763 18.194 1.00 80.36 C ATOM 159 CD2 LEU B 20 -2.784 19.914 16.836 1.00 63.19 C ATOM 160 N THR B 21 -4.240 14.459 18.198 1.00 82.02 N ATOM 161 CA THR B 21 -3.863 13.080 17.884 1.00 75.97 C ATOM 162 C THR B 21 -4.672 12.027 18.627 1.00 77.63 C ATOM 163 O THR B 21 -4.543 10.831 18.355 1.00 80.25 O ATOM 164 CB THR B 21 -2.374 12.829 18.206 1.00 70.03 C ATOM 165 OG1 THR B 21 -2.166 12.934 19.621 1.00 69.34 O ATOM 166 CG2 THR B 21 -1.501 13.846 17.499 1.00 64.32 C ATOM 167 N GLU B 22 -5.502 12.459 19.564 1.00 73.06 N ATOM 168 CA GLU B 22 -6.296 11.515 20.340 1.00 76.75 C ATOM 169 C GLU B 22 -5.410 10.533 21.110 1.00 72.61 C ATOM 170 O GLU B 22 -5.807 9.403 21.365 1.00 75.45 O ATOM 171 CB GLU B 22 -7.240 10.727 19.431 1.00 81.09 C ATOM 172 CG GLU B 22 -8.435 11.505 18.917 1.00 93.80 C ATOM 173 CD GLU B 22 -9.373 10.628 18.107 1.00106.25 C ATOM 174 OE1 GLU B 22 -9.940 9.675 18.684 1.00114.72 O ATOM 175 OE2 GLU B 22 -9.539 10.883 16.893 1.00112.55 O ATOM 176 N LEU B 23 -4.205 10.961 21.465 1.00 72.83 N ATOM 177 CA LEU B 23 -3.284 10.125 22.231 1.00 69.46 C ATOM 178 C LEU B 23 -3.219 10.650 23.659 1.00 71.74 C ATOM 179 O LEU B 23 -3.192 11.865 23.866 1.00 75.11 O ATOM 180 CB LEU B 23 -1.893 10.191 21.630 1.00 62.64 C ATOM 181 CG LEU B 23 -1.725 9.443 20.326 1.00 65.90 C ATOM 182 CD1 LEU B 23 -0.332 9.711 19.778 1.00 74.50 C ATOM 183 CD2 LEU B 23 -1.948 7.956 20.574 1.00 71.13 C ATOM 184 N SER B 24 -3.182 9.757 24.645 1.00 68.16 N ATOM 185 CA SER B 24 -3.113 10.211 26.036 1.00 66.96 C ATOM 186 C SER B 24 -1.739 10.807 26.322 1.00 65.60 C ATOM 187 O SER B 24 -0.780 10.601 25.571 1.00 65.63 O ATOM 188 CB SER B 24 -3.376 9.055 27.011 1.00 61.66 C ATOM 189 OG SER B 24 -2.305 8.125 27.002 1.00 68.30 O ATOM 190 N ALA B 25 -1.634 11.545 27.415 1.00 63.07 N ATOM 191 CA ALA B 25 -0.356 12.139 27.751 1.00 61.10 C ATOM 192 C ALA B 25 0.642 11.035 28.101 1.00 61.60 C ATOM 193 O ALA B 25 1.845 11.163 27.834 1.00 56.53 O ATOM 194 CB ALA B 25 -0.516 13.118 28.909 1.00 56.05 C ATOM 195 N ARG B 26 0.133 9.944 28.676 1.00 61.01 N ATOM 196 CA ARG B 26 0.973 8.810 29.057 1.00 61.94 C ATOM 197 C ARG B 26 1.622 8.263 27.803 1.00 63.85 C ATOM 198 O ARG B 26 2.840 8.074 27.750 1.00 70.40 O ATOM 199 CB ARG B 26 0.129 7.706 29.698 1.00 68.90 C ATOM 200 CG ARG B 26 0.926 6.546 30.306 1.00 65.66 C ATOM 201 CD ARG B 26 1.441 6.895 31.690 1.00 71.18 C ATOM 202 NE ARG B 26 1.920 5.730 32.439 1.00 70.49 N ATOM 203 CZ ARG B 26 3.130 5.187 32.311 1.00 69.74 C ATOM 204 NH1 ARG B 26 4.010 5.698 31.455 1.00 60.92 N ATOM 205 NH2 ARG B 26 3.464 4.133 33.053 1.00 64.05 N ATOM 206 N GLN B 27 0.792 8.019 26.792 1.00 59.69 N ATOM 207 CA GLN B 27 1.257 7.476 25.518 1.00 60.06 C ATOM 208 C GLN B 27 2.268 8.393 24.871 1.00 63.78 C ATOM 209 O GLN B 27 3.385 7.978 24.532 1.00 62.78 O ATOM 210 CB GLN B 27 0.081 7.292 24.559 1.00 67.18 C ATOM 211 CG GLN B 27 -0.944 6.276 25.003 1.00 67.38 C ATOM 212 CD GLN B 27 -2.065 6.135 24.008 1.00 72.76 C ATOM 213 OE1 GLN B 27 -2.975 6.965 23.960 1.00 81.12 O ATOM 214 NE2 GLN B 27 -2.001 5.086 23.189 1.00 70.71 N ATOM 215 N ILE B 28 1.854 9.648 24.706 1.00 63.21 N ATOM 216 CA ILE B 28 2.687 10.661 24.084 1.00 65.55 C ATOM 217 C ILE B 28 4.048 10.725 24.759 1.00 66.24 C ATOM 218 O ILE B 28 5.078 10.724 24.088 1.00 66.05 O ATOM 219 CB ILE B 28 2.001 12.042 24.147 1.00 66.30 C ATOM 220 CG1 ILE B 28 0.738 12.017 23.282 1.00 63.95 C ATOM 221 CG2 ILE B 28 2.942 13.127 23.650 1.00 55.98 C ATOM 222 CD1 ILE B 28 -0.134 13.228 23.426 1.00 55.10 C ATOM 223 N ARG B 29 4.053 10.758 26.086 1.00 59.59 N ATOM 224 CA ARG B 29 5.305 10.834 26.814 1.00 66.12 C ATOM 225 C ARG B 29 6.090 9.532 26.690 1.00 71.04 C ATOM 226 O ARG B 29 7.325 9.540 26.575 1.00 65.19 O ATOM 227 CB ARG B 29 5.042 11.171 28.293 1.00 63.68 C ATOM 228 CG ARG B 29 4.826 12.654 28.561 1.00 69.92 C ATOM 229 CD ARG B 29 4.547 12.961 30.040 1.00 72.61 C ATOM 230 NE ARG B 29 3.118 13.083 30.333 1.00 80.11 N ATOM 231 CZ ARG B 29 2.577 14.122 30.962 1.00 80.63 C ATOM 232 NH1 ARG B 29 3.351 15.117 31.356 1.00 89.82 N ATOM 233 NH2 ARG B 29 1.271 14.172 31.200 1.00 81.31 N ATOM 234 N TYR B 30 5.364 8.417 26.697 1.00 71.36 N ATOM 235 CA TYR B 30 5.985 7.102 26.604 1.00 73.94 C ATOM 236 C TYR B 30 6.740 6.926 25.291 1.00 75.45 C ATOM 237 O TYR B 30 7.870 6.419 25.277 1.00 74.54 O ATOM 238 CB TYR B 30 4.921 6.018 26.756 1.00 76.32 C ATOM 239 CG TYR B 30 5.465 4.610 26.864 1.00 82.39 C ATOM 240 CD1 TYR B 30 5.769 3.868 25.721 1.00 85.10 C ATOM 241 CD2 TYR B 30 5.642 4.003 28.110 1.00 83.48 C ATOM 242 CE1 TYR B 30 6.226 2.549 25.813 1.00 85.35 C ATOM 243 CE2 TYR B 30 6.102 2.684 28.215 1.00 84.22 C ATOM 244 CZ TYR B 30 6.387 1.962 27.058 1.00 85.43 C ATOM 245 OH TYR B 30 6.792 0.648 27.136 1.00 77.89 O ATOM 246 N TYR B 31 6.127 7.344 24.187 1.00 71.96 N ATOM 247 CA TYR B 31 6.801 7.224 22.903 1.00 72.39 C ATOM 248 C TYR B 31 8.100 8.028 22.951 1.00 72.74 C ATOM 249 O TYR B 31 9.076 7.687 22.284 1.00 73.11 O ATOM 250 CB TYR B 31 5.900 7.710 21.759 1.00 66.83 C ATOM 251 CG TYR B 31 4.551 7.023 21.725 1.00 61.97 C ATOM 252 CD1 TYR B 31 4.418 5.687 22.112 1.00 59.01 C ATOM 253 CD2 TYR B 31 3.398 7.722 21.363 1.00 60.38 C ATOM 254 CE1 TYR B 31 3.170 5.068 22.151 1.00 58.71 C ATOM 255 CE2 TYR B 31 2.143 7.108 21.395 1.00 59.29 C ATOM 256 CZ TYR B 31 2.038 5.782 21.798 1.00 58.20 C ATOM 257 OH TYR B 31 0.806 5.173 21.886 1.00 61.21 O ATOM 258 N GLU B 32 8.117 9.092 23.748 1.00 75.37 N ATOM 259 CA GLU B 32 9.325 9.896 23.889 1.00 80.12 C ATOM 260 C GLU B 32 10.405 9.093 24.641 1.00 82.80 C ATOM 261 O GLU B 32 11.585 9.149 24.290 1.00 84.40 O ATOM 262 CB GLU B 32 9.008 11.201 24.623 1.00 81.30 C ATOM 263 CG GLU B 32 10.222 12.092 24.855 1.00 81.26 C ATOM 264 CD GLU B 32 9.848 13.493 25.307 1.00 81.88 C ATOM 265 OE1 GLU B 32 10.765 14.262 25.667 1.00 78.61 O ATOM 266 OE2 GLU B 32 8.641 13.827 25.293 1.00 80.92 O ATOM 267 N GLU B 33 10.003 8.341 25.665 1.00 81.82 N ATOM 268 CA GLU B 33 10.950 7.520 26.422 1.00 85.87 C ATOM 269 C GLU B 33 11.641 6.503 25.520 1.00 87.35 C ATOM 270 O GLU B 33 12.704 5.986 25.855 1.00 87.99 O ATOM 271 CB GLU B 33 10.245 6.759 27.545 1.00 88.16 C ATOM 272 CG GLU B 33 9.801 7.612 28.711 1.00 96.33 C ATOM 273 CD GLU B 33 8.900 6.857 29.676 1.00101.74 C ATOM 274 OE1 GLU B 33 9.344 5.824 30.233 1.00 99.78 O ATOM 275 OE2 GLU B 33 7.743 7.303 29.875 1.00106.51 O ATOM 276 N ASN B 34 11.034 6.207 24.378 1.00 84.60 N ATOM 277 CA ASN B 34 11.622 5.245 23.459 1.00 83.22 C ATOM 278 C ASN B 34 12.390 5.894 22.317 1.00 82.44 C ATOM 279 O ASN B 34 12.840 5.214 21.395 1.00 82.69 O ATOM 280 CB ASN B 34 10.534 4.329 22.916 1.00 84.11 C ATOM 281 CG ASN B 34 10.086 3.319 23.937 1.00 87.03 C ATOM 282 OD1 ASN B 34 10.730 2.286 24.114 1.00 98.24 O ATOM 283 ND2 ASN B 34 8.995 3.618 24.641 1.00 84.94 N ATOM 284 N GLY B 35 12.539 7.209 22.378 1.00 76.00 N ATOM 285 CA GLY B 35 13.274 7.896 21.339 1.00 79.72 C ATOM 286 C GLY B 35 12.482 8.087 20.064 1.00 84.53 C ATOM 287 O GLY B 35 13.044 8.472 19.042 1.00 87.75 O ATOM 288 N LEU B 36 11.180 7.822 20.114 1.00 86.44 N ATOM 289 CA LEU B 36 10.325 7.989 18.942 1.00 86.63 C ATOM 290 C LEU B 36 10.114 9.463 18.575 1.00 89.28 C ATOM 291 O LEU B 36 9.929 9.796 17.401 1.00 91.06 O ATOM 292 CB LEU B 36 8.970 7.314 19.174 1.00 82.34 C ATOM 293 CG LEU B 36 8.865 5.835 18.779 1.00 84.42 C ATOM 294 CD1 LEU B 36 9.949 5.034 19.458 1.00 80.09 C ATOM 295 CD2 LEU B 36 7.492 5.301 19.150 1.00 77.98 C ATOM 296 N ILE B 37 10.143 10.338 19.578 1.00 87.78 N ATOM 297 CA ILE B 37 9.964 11.770 19.359 1.00 88.08 C ATOM 298 C ILE B 37 10.935 12.575 20.211 1.00 92.59 C ATOM 299 O ILE B 37 11.390 12.118 21.260 1.00 91.13 O ATOM 300 CB ILE B 37 8.536 12.218 19.703 1.00 85.39 C ATOM 301 CG1 ILE B 37 8.194 11.772 21.127 1.00 88.98 C ATOM 302 CG2 ILE B 37 7.557 11.654 18.691 1.00 84.13 C ATOM 303 CD1 ILE B 37 6.779 12.097 21.573 1.00 90.87 C ATOM 304 N PHE B 38 11.231 13.783 19.749 1.00 96.24 N ATOM 305 CA PHE B 38 12.157 14.678 20.425 1.00100.91 C ATOM 306 C PHE B 38 11.578 16.092 20.563 1.00 99.91 C ATOM 307 O PHE B 38 12.034 17.027 19.908 1.00 99.86 O ATOM 308 CB PHE B 38 13.479 14.704 19.639 1.00111.29 C ATOM 309 CG PHE B 38 13.307 14.550 18.134 1.00120.39 C ATOM 310 CD1 PHE B 38 12.967 15.641 17.326 1.00123.27 C ATOM 311 CD2 PHE B 38 13.484 13.304 17.528 1.00122.80 C ATOM 312 CE1 PHE B 38 12.803 15.489 15.939 1.00122.38 C ATOM 313 CE2 PHE B 38 13.320 13.143 16.144 1.00124.43 C ATOM 314 CZ PHE B 38 12.982 14.238 15.351 1.00124.05 C ATOM 315 N PRO B 39 10.558 16.258 21.421 1.00 99.02 N ATOM 316 CA PRO B 39 9.885 17.541 21.673 1.00 96.70 C ATOM 317 C PRO B 39 10.804 18.541 22.361 1.00 96.09 C ATOM 318 O PRO B 39 11.583 18.165 23.235 1.00101.89 O ATOM 319 CB PRO B 39 8.718 17.154 22.585 1.00 93.50 C ATOM 320 CG PRO B 39 8.506 15.699 22.305 1.00 97.22 C ATOM 321 CD PRO B 39 9.907 15.178 22.177 1.00 98.28 C ATOM 322 N ALA B 40 10.711 19.813 21.984 1.00 94.44 N ATOM 323 CA ALA B 40 11.542 20.834 22.615 1.00 90.30 C ATOM 324 C ALA B 40 10.986 21.173 24.000 1.00 87.59 C ATOM 325 O ALA B 40 9.815 20.913 24.297 1.00 80.67 O ATOM 326 CB ALA B 40 11.587 22.074 21.755 1.00 88.62 C ATOM 327 N ARG B 41 11.827 21.760 24.842 1.00 87.55 N ATOM 328 CA ARG B 41 11.425 22.121 26.198 1.00 86.83 C ATOM 329 C ARG B 41 11.517 23.625 26.464 1.00 86.02 C ATOM 330 O ARG B 41 12.281 24.330 25.808 1.00 84.71 O ATOM 331 CB ARG B 41 12.310 21.383 27.204 1.00 91.27 C ATOM 332 CG ARG B 41 11.625 20.253 27.959 1.00 93.25 C ATOM 333 CD ARG B 41 11.312 19.050 27.079 1.00 97.34 C ATOM 334 NE ARG B 41 10.527 18.056 27.811 1.00 97.18 N ATOM 335 CZ ARG B 41 10.961 17.388 28.878 1.00 94.22 C ATOM 336 NH1 ARG B 41 12.186 17.592 29.347 1.00102.88 N ATOM 337 NH2 ARG B 41 10.161 16.535 29.494 1.00 83.23 N ATOM 338 N THR B 42 10.743 24.104 27.434 1.00 86.59 N ATOM 339 CA THR B 42 10.748 25.518 27.810 1.00 87.19 C ATOM 340 C THR B 42 11.647 25.723 29.019 1.00 95.02 C ATOM 341 O THR B 42 12.429 24.843 29.376 1.00101.88 O ATOM 342 CB THR B 42 9.357 25.997 28.211 1.00 83.57 C ATOM 343 OG1 THR B 42 8.929 25.291 29.381 1.00 76.34 O ATOM 344 CG2 THR B 42 8.376 25.745 27.102 1.00 96.14 C ATOM 345 N GLU B 43 11.533 26.889 29.649 1.00100.17 N ATOM 346 CA GLU B 43 12.325 27.180 30.838 1.00103.90 C ATOM 347 C GLU B 43 11.775 26.371 32.002 1.00101.75 C ATOM 348 O GLU B 43 12.482 26.104 32.972 1.00104.20 O ATOM 349 CB GLU B 43 12.254 28.664 31.189 1.00109.86 C ATOM 350 CG GLU B 43 13.097 29.556 30.313 1.00121.73 C ATOM 351 CD GLU B 43 13.011 31.007 30.742 1.00129.95 C ATOM 352 OE1 GLU B 43 13.190 31.277 31.951 1.00129.39 O ATOM 353 OE2 GLU B 43 12.767 31.873 29.873 1.00136.73 O ATOM 354 N GLY B 44 10.506 25.990 31.894 1.00 99.31 N ATOM 355 CA GLY B 44 9.865 25.217 32.940 1.00 95.19 C ATOM 356 C GLY B 44 9.837 23.740 32.622 1.00 94.55 C ATOM 357 O GLY B 44 9.056 22.982 33.201 1.00 98.69 O ATOM 358 N ASN B 45 10.694 23.331 31.695 1.00 92.36 N ATOM 359 CA ASN B 45 10.784 21.935 31.292 1.00 93.15 C ATOM 360 C ASN B 45 9.481 21.424 30.689 1.00 92.33 C ATOM 361 O ASN B 45 9.281 20.216 30.592 1.00 95.08 O ATOM 362 CB ASN B 45 11.160 21.053 32.485 1.00 93.05 C ATOM 363 CG ASN B 45 11.606 19.666 32.062 1.00 96.64 C ATOM 364 OD1 ASN B 45 12.678 19.497 31.476 1.00 96.84 O ATOM 365 ND2 ASN B 45 10.782 18.665 32.348 1.00105.31 N ATOM 366 N ARG B 46 8.589 22.336 30.309 1.00 94.07 N ATOM 367 CA ARG B 46 7.322 21.939 29.693 1.00 93.78 C ATOM 368 C ARG B 46 7.539 21.665 28.209 1.00 92.41 C ATOM 369 O ARG B 46 8.211 22.423 27.500 1.00 93.44 O ATOM 370 CB ARG B 46 6.244 23.020 29.856 1.00 96.37 C ATOM 371 CG ARG B 46 5.528 23.011 31.203 1.00 98.86 C ATOM 372 CD ARG B 46 6.426 23.503 32.324 1.00100.08 C ATOM 373 NE ARG B 46 6.254 22.716 33.541 1.00 99.17 N ATOM 374 CZ ARG B 46 5.105 22.589 34.201 1.00103.92 C ATOM 375 NH1 ARG B 46 4.002 23.200 33.769 1.00103.34 N ATOM 376 NH2 ARG B 46 5.059 21.845 35.298 1.00 93.27 N ATOM 377 N ARG B 47 6.965 20.566 27.745 1.00 87.49 N ATOM 378 CA ARG B 47 7.105 20.177 26.358 1.00 85.32 C ATOM 379 C ARG B 47 6.305 21.059 25.400 1.00 80.74 C ATOM 380 O ARG B 47 5.128 21.353 25.628 1.00 75.61 O ATOM 381 CB ARG B 47 6.686 18.711 26.192 1.00 88.11 C ATOM 382 CG ARG B 47 7.767 17.685 26.503 1.00 79.76 C ATOM 383 CD ARG B 47 7.228 16.265 26.312 1.00 82.28 C ATOM 384 NE ARG B 47 6.700 15.708 27.552 1.00 79.17 N ATOM 385 CZ ARG B 47 7.430 15.025 28.426 1.00 77.18 C ATOM 386 NH1 ARG B 47 8.717 14.801 28.196 1.00 75.20 N ATOM 387 NH2 ARG B 47 6.879 14.590 29.545 1.00 85.56 N ATOM 388 N LEU B 48 6.967 21.488 24.331 1.00 81.59 N ATOM 389 CA LEU B 48 6.334 22.299 23.296 1.00 81.33 C ATOM 390 C LEU B 48 6.563 21.582 21.970 1.00 79.50 C ATOM 391 O LEU B 48 7.673 21.576 21.428 1.00 77.13 O ATOM 392 CB LEU B 48 6.940 23.699 23.256 1.00 80.10 C ATOM 393 CG LEU B 48 6.537 24.624 24.405 1.00 83.45 C ATOM 394 CD1 LEU B 48 7.185 25.976 24.193 1.00 90.15 C ATOM 395 CD2 LEU B 48 5.019 24.774 24.460 1.00 81.96 C ATOM 396 N PHE B 49 5.502 20.958 21.472 1.00 78.85 N ATOM 397 CA PHE B 49 5.554 20.201 20.230 1.00 81.50 C ATOM 398 C PHE B 49 5.408 21.100 19.007 1.00 82.05 C ATOM 399 O PHE B 49 4.676 22.088 19.034 1.00 81.79 O ATOM 400 CB PHE B 49 4.446 19.128 20.210 1.00 80.94 C ATOM 401 CG PHE B 49 4.485 18.176 21.382 1.00 82.85 C ATOM 402 CD1 PHE B 49 4.020 18.568 22.639 1.00 84.67 C ATOM 403 CD2 PHE B 49 5.019 16.898 21.239 1.00 83.64 C ATOM 404 CE1 PHE B 49 4.086 17.697 23.737 1.00 77.90 C ATOM 405 CE2 PHE B 49 5.089 16.022 22.328 1.00 83.23 C ATOM 406 CZ PHE B 49 4.624 16.425 23.578 1.00 80.64 C ATOM 407 N SER B 50 6.115 20.746 17.939 1.00 84.23 N ATOM 408 CA SER B 50 6.063 21.483 16.682 1.00 85.00 C ATOM 409 C SER B 50 5.154 20.706 15.736 1.00 83.66 C ATOM 410 O SER B 50 4.641 19.653 16.103 1.00 88.67 O ATOM 411 CB SER B 50 7.464 21.598 16.073 1.00 90.17 C ATOM 412 OG SER B 50 7.980 20.325 15.728 1.00 91.42 O ATOM 413 N PHE B 51 4.943 21.220 14.529 1.00 86.27 N ATOM 414 CA PHE B 51 4.099 20.529 13.557 1.00 88.57 C ATOM 415 C PHE B 51 4.709 19.181 13.165 1.00 90.49 C ATOM 416 O PHE B 51 3.994 18.213 12.902 1.00 84.98 O ATOM 417 CB PHE B 51 3.913 21.380 12.303 1.00 85.41 C ATOM 418 CG PHE B 51 2.761 22.330 12.381 1.00 85.79 C ATOM 419 CD1 PHE B 51 2.788 23.422 13.241 1.00 88.05 C ATOM 420 CD2 PHE B 51 1.638 22.130 11.591 1.00 88.73 C ATOM 421 CE1 PHE B 51 1.703 24.301 13.308 1.00 88.28 C ATOM 422 CE2 PHE B 51 0.549 23.002 11.651 1.00 86.41 C ATOM 423 CZ PHE B 51 0.582 24.087 12.509 1.00 83.43 C ATOM 424 N HIS B 52 6.036 19.128 13.121 1.00 92.62 N ATOM 425 CA HIS B 52 6.729 17.898 12.775 1.00 96.69 C ATOM 426 C HIS B 52 6.465 16.813 13.819 1.00 92.82 C ATOM 427 O HIS B 52 6.250 15.651 13.472 1.00 94.60 O ATOM 428 CB HIS B 52 8.234 18.162 12.647 1.00108.22 C ATOM 429 CG HIS B 52 9.077 16.926 12.744 1.00125.87 C ATOM 430 ND1 HIS B 52 9.349 16.302 13.944 1.00130.21 N ATOM 431 CD2 HIS B 52 9.699 16.192 11.790 1.00129.87 C ATOM 432 CE1 HIS B 52 10.103 15.239 13.725 1.00133.52 C ATOM 433 NE2 HIS B 52 10.330 15.150 12.426 1.00133.62 N ATOM 434 N ASP B 53 6.473 17.196 15.094 1.00 90.04 N ATOM 435 CA ASP B 53 6.236 16.252 16.183 1.00 83.58 C ATOM 436 C ASP B 53 4.840 15.634 16.117 1.00 79.48 C ATOM 437 O ASP B 53 4.669 14.438 16.360 1.00 77.36 O ATOM 438 CB ASP B 53 6.426 16.944 17.537 1.00 82.65 C ATOM 439 CG ASP B 53 7.823 17.505 17.713 1.00 86.54 C ATOM 440 OD1 ASP B 53 8.783 16.879 17.211 1.00 92.54 O ATOM 441 OD2 ASP B 53 7.965 18.565 18.363 1.00 85.35 O ATOM 442 N VAL B 54 3.848 16.457 15.791 1.00 79.62 N ATOM 443 CA VAL B 54 2.454 16.015 15.686 1.00 81.14 C ATOM 444 C VAL B 54 2.298 15.026 14.533 1.00 80.34 C ATOM 445 O VAL B 54 1.592 14.022 14.645 1.00 73.44 O ATOM 446 CB VAL B 54 1.516 17.227 15.452 1.00 83.79 C ATOM 447 CG1 VAL B 54 0.050 16.792 15.457 1.00 75.66 C ATOM 448 CG2 VAL B 54 1.765 18.273 16.528 1.00 80.92 C ATOM 449 N ASP B 55 2.956 15.324 13.420 1.00 83.42 N ATOM 450 CA ASP B 55 2.910 14.448 12.261 1.00 88.20 C ATOM 451 C ASP B 55 3.555 13.123 12.641 1.00 88.92 C ATOM 452 O ASP B 55 2.943 12.065 12.477 1.00 85.76 O ATOM 453 CB ASP B 55 3.660 15.078 11.083 1.00 95.19 C ATOM 454 CG ASP B 55 2.751 15.896 10.179 1.00102.17 C ATOM 455 OD1 ASP B 55 1.859 16.605 10.694 1.00106.23 O ATOM 456 OD2 ASP B 55 2.937 15.839 8.945 1.00110.97 O ATOM 457 N LYS B 56 4.782 13.189 13.165 1.00 86.61 N ATOM 458 CA LYS B 56 5.510 11.991 13.577 1.00 86.02 C ATOM 459 C LYS B 56 4.727 11.227 14.648 1.00 85.13 C ATOM 460 O LYS B 56 4.921 10.028 14.841 1.00 89.51 O ATOM 461 CB LYS B 56 6.901 12.366 14.105 1.00 84.93 C ATOM 462 CG LYS B 56 7.864 11.183 14.217 1.00 90.48 C ATOM 463 CD LYS B 56 9.302 11.636 14.470 1.00 99.53 C ATOM 464 CE LYS B 56 10.268 10.449 14.473 1.00104.60 C ATOM 465 NZ LYS B 56 11.690 10.878 14.647 1.00105.27 N ATOM 466 N LEU B 57 3.831 11.931 15.330 1.00 82.62 N ATOM 467 CA LEU B 57 3.002 11.337 16.371 1.00 76.30 C ATOM 468 C LEU B 57 1.796 10.623 15.756 1.00 75.74 C ATOM 469 O LEU B 57 1.346 9.594 16.261 1.00 72.38 O ATOM 470 CB LEU B 57 2.527 12.430 17.338 1.00 79.00 C ATOM 471 CG LEU B 57 2.822 12.254 18.832 1.00 72.17 C ATOM 472 CD1 LEU B 57 4.283 11.954 19.031 1.00 75.48 C ATOM 473 CD2 LEU B 57 2.452 13.517 19.581 1.00 70.47 C ATOM 474 N LEU B 58 1.263 11.181 14.671 1.00 80.21 N ATOM 475 CA LEU B 58 0.120 10.578 13.986 1.00 76.61 C ATOM 476 C LEU B 58 0.531 9.248 13.358 1.00 78.65 C ATOM 477 O LEU B 58 -0.272 8.315 13.289 1.00 74.16 O ATOM 478 CB LEU B 58 -0.408 11.528 12.921 1.00 66.89 C ATOM 479 CG LEU B 58 -1.122 12.705 13.574 1.00 70.80 C ATOM 480 CD1 LEU B 58 -1.368 13.791 12.543 1.00 68.15 C ATOM 481 CD2 LEU B 58 -2.422 12.219 14.212 1.00 58.42 C ATOM 482 N GLU B 59 1.790 9.173 12.914 1.00 81.56 N ATOM 483 CA GLU B 59 2.354 7.955 12.325 1.00 81.09 C ATOM 484 C GLU B 59 2.371 6.868 13.399 1.00 78.08 C ATOM 485 O GLU B 59 1.922 5.742 13.172 1.00 79.58 O ATOM 486 CB GLU B 59 3.787 8.203 11.824 1.00 83.32 C ATOM 487 CG GLU B 59 3.899 8.697 10.378 1.00 97.80 C ATOM 488 CD GLU B 59 3.193 10.022 10.130 1.00112.25 C ATOM 489 OE1 GLU B 59 1.946 10.067 10.218 1.00118.63 O ATOM 490 OE2 GLU B 59 3.888 11.022 9.840 1.00120.22 O ATOM 491 N ILE B 60 2.877 7.221 14.575 1.00 72.33 N ATOM 492 CA ILE B 60 2.946 6.289 15.686 1.00 70.86 C ATOM 493 C ILE B 60 1.551 5.801 16.049 1.00 70.64 C ATOM 494 O ILE B 60 1.365 4.628 16.380 1.00 71.97 O ATOM 495 CB ILE B 60 3.599 6.955 16.919 1.00 71.34 C ATOM 496 CG1 ILE B 60 4.982 7.470 16.529 1.00 73.05 C ATOM 497 CG2 ILE B 60 3.740 5.958 18.071 1.00 63.57 C ATOM 498 CD1 ILE B 60 5.606 8.360 17.555 1.00 69.53 C ATOM 499 N LYS B 61 0.561 6.684 15.979 1.00 71.26 N ATOM 500 CA LYS B 61 -0.788 6.252 16.336 1.00 75.25 C ATOM 501 C LYS B 61 -1.289 5.183 15.379 1.00 72.02 C ATOM 502 O LYS B 61 -1.897 4.192 15.799 1.00 64.12 O ATOM 503 CB LYS B 61 -1.785 7.419 16.348 1.00 72.47 C ATOM 504 CG LYS B 61 -3.093 7.017 17.021 1.00 71.56 C ATOM 505 CD LYS B 61 -4.246 7.983 16.803 1.00 75.60 C ATOM 506 CE LYS B 61 -5.494 7.446 17.527 1.00 81.13 C ATOM 507 NZ LYS B 61 -6.761 8.161 17.187 1.00 82.95 N ATOM 508 N HIS B 62 -1.023 5.390 14.091 1.00 74.23 N ATOM 509 CA HIS B 62 -1.451 4.456 13.062 1.00 78.80 C ATOM 510 C HIS B 62 -0.872 3.066 13.318 1.00 77.79 C ATOM 511 O HIS B 62 -1.605 2.070 13.337 1.00 76.32 O ATOM 512 CB HIS B 62 -1.028 4.974 11.685 1.00 85.70 C ATOM 513 CG HIS B 62 -1.314 4.021 10.565 1.00 97.99 C ATOM 514 ND1 HIS B 62 -2.551 3.442 10.372 1.00 96.24 N ATOM 515 CD2 HIS B 62 -0.520 3.550 9.573 1.00 98.21 C ATOM 516 CE1 HIS B 62 -2.506 2.656 9.311 1.00 97.21 C ATOM 517 NE2 HIS B 62 -1.285 2.704 8.808 1.00 98.43 N ATOM 518 N LEU B 63 0.438 3.003 13.532 1.00 73.73 N ATOM 519 CA LEU B 63 1.092 1.730 13.797 1.00 71.93 C ATOM 520 C LEU B 63 0.612 1.153 15.124 1.00 69.80 C ATOM 521 O LEU B 63 0.289 -0.030 15.207 1.00 67.92 O ATOM 522 CB LEU B 63 2.613 1.912 13.806 1.00 70.19 C ATOM 523 CG LEU B 63 3.207 2.380 12.472 1.00 69.54 C ATOM 524 CD1 LEU B 63 4.701 2.574 12.609 1.00 69.77 C ATOM 525 CD2 LEU B 63 2.902 1.365 11.382 1.00 64.99 C ATOM 526 N ILE B 64 0.558 2.001 16.149 1.00 74.80 N ATOM 527 CA ILE B 64 0.118 1.599 17.487 1.00 77.21 C ATOM 528 C ILE B 64 -1.237 0.898 17.420 1.00 76.37 C ATOM 529 O ILE B 64 -1.472 -0.085 18.122 1.00 70.02 O ATOM 530 CB ILE B 64 0.001 2.837 18.435 1.00 81.34 C ATOM 531 CG1 ILE B 64 0.774 2.584 19.722 1.00 84.88 C ATOM 532 CG2 ILE B 64 -1.453 3.120 18.793 1.00 80.66 C ATOM 533 CD1 ILE B 64 2.265 2.651 19.542 1.00 93.34 C ATOM 534 N GLU B 65 -2.123 1.413 16.571 1.00 77.48 N ATOM 535 CA GLU B 65 -3.450 0.840 16.420 1.00 82.17 C ATOM 536 C GLU B 65 -3.383 -0.428 15.596 1.00 84.00 C ATOM 537 O GLU B 65 -4.286 -1.257 15.652 1.00 90.94 O ATOM 538 CB GLU B 65 -4.390 1.842 15.756 1.00 87.80 C ATOM 539 CG GLU B 65 -4.649 3.076 16.596 1.00 95.09 C ATOM 540 CD GLU B 65 -5.564 4.063 15.907 1.00101.42 C ATOM 541 OE1 GLU B 65 -5.262 4.447 14.756 1.00102.82 O ATOM 542 OE2 GLU B 65 -6.581 4.459 16.517 1.00105.04 O ATOM 543 N GLN B 66 -2.308 -0.575 14.831 1.00 81.71 N ATOM 544 CA GLN B 66 -2.119 -1.762 14.009 1.00 77.59 C ATOM 545 C GLN B 66 -1.548 -2.910 14.845 1.00 77.32 C ATOM 546 O GLN B 66 -1.308 -3.994 14.327 1.00 82.30 O ATOM 547 CB GLN B 66 -1.173 -1.450 12.850 1.00 78.67 C ATOM 548 CG GLN B 66 -1.789 -1.588 11.473 1.00 86.80 C ATOM 549 CD GLN B 66 -3.029 -0.736 11.297 1.00 97.36 C ATOM 550 OE1 GLN B 66 -2.986 0.483 11.465 1.00109.55 O ATOM 551 NE2 GLN B 66 -4.144 -1.373 10.956 1.00 98.99 N ATOM 552 N GLY B 67 -1.323 -2.666 16.135 1.00 75.41 N ATOM 553 CA GLY B 67 -0.785 -3.701 17.007 1.00 74.46 C ATOM 554 C GLY B 67 0.734 -3.771 17.104 1.00 74.75 C ATOM 555 O GLY B 67 1.282 -4.631 17.803 1.00 71.46 O ATOM 556 N VAL B 68 1.423 -2.873 16.408 1.00 68.35 N ATOM 557 CA VAL B 68 2.882 -2.856 16.427 1.00 67.36 C ATOM 558 C VAL B 68 3.426 -2.354 17.766 1.00 68.55 C ATOM 559 O VAL B 68 2.965 -1.334 18.283 1.00 69.28 O ATOM 560 CB VAL B 68 3.425 -1.947 15.316 1.00 65.90 C ATOM 561 CG1 VAL B 68 4.933 -2.101 15.202 1.00 57.53 C ATOM 562 CG2 VAL B 68 2.735 -2.275 14.005 1.00 63.36 C ATOM 563 N ASN B 69 4.399 -3.067 18.330 1.00 65.64 N ATOM 564 CA ASN B 69 4.991 -2.655 19.603 1.00 64.49 C ATOM 565 C ASN B 69 6.121 -1.644 19.374 1.00 68.74 C ATOM 566 O ASN B 69 6.458 -1.333 18.232 1.00 72.59 O ATOM 567 CB ASN B 69 5.520 -3.869 20.375 1.00 58.53 C ATOM 568 CG ASN B 69 6.625 -4.620 19.627 1.00 61.73 C ATOM 569 OD1 ASN B 69 7.202 -4.119 18.654 1.00 60.59 O ATOM 570 ND2 ASN B 69 6.934 -5.823 20.096 1.00 48.88 N ATOM 571 N MET B 70 6.711 -1.140 20.456 1.00 69.44 N ATOM 572 CA MET B 70 7.779 -0.151 20.342 1.00 71.88 C ATOM 573 C MET B 70 8.943 -0.616 19.479 1.00 73.97 C ATOM 574 O MET B 70 9.444 0.139 18.646 1.00 78.83 O ATOM 575 CB MET B 70 8.290 0.261 21.732 1.00 72.84 C ATOM 576 CG MET B 70 7.312 1.108 22.544 1.00 73.91 C ATOM 577 SD MET B 70 6.816 2.664 21.732 1.00 90.41 S ATOM 578 CE MET B 70 5.234 2.172 21.059 1.00 82.87 C ATOM 579 N ALA B 71 9.374 -1.857 19.673 1.00 73.63 N ATOM 580 CA ALA B 71 10.482 -2.398 18.892 1.00 70.35 C ATOM 581 C ALA B 71 10.142 -2.324 17.409 1.00 69.45 C ATOM 582 O ALA B 71 10.970 -1.924 16.582 1.00 70.92 O ATOM 583 CB ALA B 71 10.746 -3.843 19.291 1.00 66.34 C ATOM 584 N GLY B 72 8.912 -2.708 17.083 1.00 65.61 N ATOM 585 CA GLY B 72 8.476 -2.695 15.701 1.00 60.23 C ATOM 586 C GLY B 72 8.502 -1.308 15.096 1.00 64.79 C ATOM 587 O GLY B 72 8.943 -1.133 13.957 1.00 63.60 O ATOM 588 N ILE B 73 8.033 -0.322 15.859 1.00 65.77 N ATOM 589 CA ILE B 73 7.986 1.061 15.398 1.00 65.13 C ATOM 590 C ILE B 73 9.380 1.665 15.245 1.00 67.77 C ATOM 591 O ILE B 73 9.645 2.442 14.315 1.00 62.68 O ATOM 592 CB ILE B 73 7.171 1.930 16.365 1.00 63.05 C ATOM 593 CG1 ILE B 73 5.731 1.414 16.436 1.00 65.34 C ATOM 594 CG2 ILE B 73 7.207 3.378 15.908 1.00 62.43 C ATOM 595 CD1 ILE B 73 4.846 2.200 17.359 1.00 61.19 C ATOM 596 N LYS B 74 10.270 1.323 16.165 1.00 68.04 N ATOM 597 CA LYS B 74 11.621 1.833 16.078 1.00 71.59 C ATOM 598 C LYS B 74 12.184 1.321 14.752 1.00 76.47 C ATOM 599 O LYS B 74 12.748 2.080 13.963 1.00 77.04 O ATOM 600 CB LYS B 74 12.454 1.328 17.260 1.00 79.31 C ATOM 601 CG LYS B 74 12.015 1.876 18.622 1.00 83.72 C ATOM 602 CD LYS B 74 12.881 1.332 19.745 1.00 87.60 C ATOM 603 CE LYS B 74 12.483 1.914 21.093 1.00 93.42 C ATOM 604 NZ LYS B 74 13.348 1.389 22.196 1.00 92.55 N ATOM 605 N GLN B 75 11.995 0.029 14.504 1.00 75.91 N ATOM 606 CA GLN B 75 12.473 -0.607 13.283 1.00 74.15 C ATOM 607 C GLN B 75 11.924 0.053 12.024 1.00 79.36 C ATOM 608 O GLN B 75 12.656 0.285 11.057 1.00 81.61 O ATOM 609 CB GLN B 75 12.080 -2.074 13.292 1.00 67.63 C ATOM 610 CG GLN B 75 12.791 -2.882 14.346 1.00 76.09 C ATOM 611 CD GLN B 75 14.291 -2.925 14.118 1.00 74.57 C ATOM 612 OE1 GLN B 75 14.753 -3.186 13.005 1.00 66.58 O ATOM 613 NE2 GLN B 75 15.060 -2.682 15.176 1.00 76.57 N ATOM 614 N ILE B 76 10.628 0.349 12.042 1.00 78.49 N ATOM 615 CA ILE B 76 9.963 0.978 10.911 1.00 77.48 C ATOM 616 C ILE B 76 10.418 2.417 10.703 1.00 84.46 C ATOM 617 O ILE B 76 10.921 2.768 9.636 1.00 88.99 O ATOM 618 CB ILE B 76 8.430 0.956 11.095 1.00 73.00 C ATOM 619 CG1 ILE B 76 7.916 -0.479 10.921 1.00 64.83 C ATOM 620 CG2 ILE B 76 7.767 1.936 10.123 1.00 64.18 C ATOM 621 CD1 ILE B 76 6.438 -0.655 11.198 1.00 65.52 C ATOM 622 N LEU B 77 10.236 3.251 11.719 1.00 89.14 N ATOM 623 CA LEU B 77 10.634 4.646 11.617 1.00 95.46 C ATOM 624 C LEU B 77 12.109 4.802 11.282 1.00 98.43 C ATOM 625 O LEU B 77 12.492 5.725 10.565 1.00 99.95 O ATOM 626 CB LEU B 77 10.324 5.380 12.920 1.00 94.99 C ATOM 627 CG LEU B 77 9.034 6.201 12.921 1.00 99.72 C ATOM 628 CD1 LEU B 77 7.855 5.368 12.428 1.00100.91 C ATOM 629 CD2 LEU B 77 8.786 6.708 14.329 1.00101.33 C ATOM 630 N ALA B 78 12.934 3.895 11.792 1.00100.58 N ATOM 631 CA ALA B 78 14.369 3.959 11.541 1.00105.56 C ATOM 632 C ALA B 78 14.690 3.976 10.054 1.00110.00 C ATOM 633 O ALA B 78 15.601 4.681 9.619 1.00108.78 O ATOM 634 CB ALA B 78 15.067 2.786 12.202 1.00103.18 C ATOM 635 N LYS B 79 13.932 3.202 9.282 1.00116.35 N ATOM 636 CA LYS B 79 14.138 3.099 7.842 1.00122.12 C ATOM 637 C LYS B 79 13.435 4.199 7.055 1.00125.69 C ATOM 638 O LYS B 79 13.987 4.734 6.091 1.00129.39 O ATOM 639 CB LYS B 79 13.663 1.730 7.346 1.00122.76 C ATOM 640 CG LYS B 79 13.991 1.447 5.889 1.00126.66 C ATOM 641 CD LYS B 79 13.706 -0.005 5.538 1.00131.41 C ATOM 642 CE LYS B 79 14.134 -0.328 4.111 1.00134.79 C ATOM 643 NZ LYS B 79 13.944 -1.772 3.777 1.00135.23 N ATOM 644 N ALA B 80 12.220 4.537 7.468 1.00128.77 N ATOM 645 CA ALA B 80 11.445 5.568 6.790 1.00133.63 C ATOM 646 C ALA B 80 12.103 6.946 6.879 1.00137.89 C ATOM 647 O ALA B 80 11.709 7.878 6.174 1.00137.39 O ATOM 648 CB ALA B 80 10.033 5.623 7.373 1.00130.94 C ATOM 649 N GLU B 81 13.106 7.072 7.743 1.00142.47 N ATOM 650 CA GLU B 81 13.800 8.343 7.919 1.00146.99 C ATOM 651 C GLU B 81 15.126 8.388 7.172 1.00149.46 C ATOM 652 O GLU B 81 15.676 9.464 6.928 1.00150.94 O ATOM 653 CB GLU B 81 14.048 8.612 9.409 1.00147.69 C ATOM 654 CG GLU B 81 12.780 8.805 10.233 1.00150.35 C ATOM 655 CD GLU B 81 13.066 9.135 11.687 1.00150.94 C ATOM 656 OE1 GLU B 81 13.734 8.327 12.365 1.00151.95 O ATOM 657 OE2 GLU B 81 12.619 10.204 12.155 1.00152.89 O ATOM 658 N ALA B 82 15.636 7.219 6.802 1.00152.21 N ATOM 659 CA ALA B 82 16.907 7.149 6.097 1.00156.14 C ATOM 660 C ALA B 82 16.752 7.016 4.589 1.00158.50 C ATOM 661 O ALA B 82 17.659 7.377 3.839 1.00159.57 O ATOM 662 CB ALA B 82 17.739 5.992 6.640 1.00155.16 C ATOM 663 N GLU B 83 15.610 6.505 4.137 1.00160.65 N ATOM 664 CA GLU B 83 15.395 6.337 2.704 1.00163.62 C ATOM 665 C GLU B 83 15.087 7.622 1.939 1.00166.31 C ATOM 666 O GLU B 83 15.780 7.955 0.973 1.00166.40 O ATOM 667 CB GLU B 83 14.298 5.305 2.438 1.00162.30 C ATOM 668 CG GLU B 83 14.839 3.908 2.192 1.00163.28 C ATOM 669 CD GLU B 83 13.872 3.035 1.416 1.00165.18 C ATOM 670 OE1 GLU B 83 13.419 3.463 0.331 1.00166.13 O ATOM 671 OE2 GLU B 83 13.571 1.917 1.883 1.00165.66 O ATOM 672 N PRO B 84 14.046 8.362 2.351 1.00169.03 N ATOM 673 CA PRO B 84 13.737 9.598 1.625 1.00171.37 C ATOM 674 C PRO B 84 14.877 10.609 1.728 1.00173.58 C ATOM 675 O PRO B 84 15.432 10.977 0.671 1.00174.70 O ATOM 676 CB PRO B 84 12.458 10.080 2.301 1.00170.31 C ATOM 677 CG PRO B 84 12.654 9.632 3.717 1.00169.70 C ATOM 678 CD PRO B 84 13.187 8.224 3.541 1.00169.16 C ATOM 679 OXT PRO B 84 15.205 11.011 2.866 1.00176.74 O TER 680 PRO B 84 ATOM 681 N MET A 1 11.979 -9.395 -14.585 1.00 90.49 N ATOM 682 CA MET A 1 13.412 -9.791 -14.487 1.00 84.92 C ATOM 683 C MET A 1 13.576 -11.296 -14.292 1.00 82.86 C ATOM 684 O MET A 1 12.761 -11.955 -13.639 1.00 75.32 O ATOM 685 CB MET A 1 14.097 -9.047 -13.330 1.00 88.17 C ATOM 686 CG MET A 1 14.466 -7.591 -13.628 1.00 98.27 C ATOM 687 SD MET A 1 15.749 -7.401 -14.906 1.00119.03 S ATOM 688 CE MET A 1 14.751 -7.097 -16.415 1.00110.66 C ATOM 689 N SER A 2 14.635 -11.840 -14.878 1.00 79.69 N ATOM 690 CA SER A 2 14.915 -13.258 -14.742 1.00 72.98 C ATOM 691 C SER A 2 15.384 -13.480 -13.304 1.00 68.82 C ATOM 692 O SER A 2 15.394 -14.613 -12.801 1.00 60.87 O ATOM 693 CB SER A 2 16.016 -13.672 -15.719 1.00 78.09 C ATOM 694 OG SER A 2 15.693 -13.285 -17.042 1.00 84.30 O ATOM 695 N ASP A 3 15.763 -12.388 -12.640 1.00 59.55 N ATOM 696 CA ASP A 3 16.232 -12.487 -11.273 1.00 60.77 C ATOM 697 C ASP A 3 15.097 -12.822 -10.330 1.00 61.04 C ATOM 698 O ASP A 3 15.182 -13.784 -9.542 1.00 51.12 O ATOM 699 CB ASP A 3 16.893 -11.189 -10.810 1.00 64.95 C ATOM 700 CG ASP A 3 17.660 -11.373 -9.507 1.00 70.39 C ATOM 701 OD1 ASP A 3 17.645 -10.438 -8.664 1.00 65.86 O ATOM 702 OD2 ASP A 3 18.277 -12.465 -9.341 1.00 63.08 O ATOM 703 N ASN A 4 14.032 -12.028 -10.413 1.00 68.11 N ATOM 704 CA ASN A 4 12.870 -12.238 -9.563 1.00 68.58 C ATOM 705 C ASN A 4 12.281 -13.625 -9.762 1.00 63.62 C ATOM 706 O ASN A 4 11.829 -14.257 -8.808 1.00 64.68 O ATOM 707 CB ASN A 4 11.819 -11.173 -9.829 1.00 79.43 C ATOM 708 CG ASN A 4 11.197 -10.650 -8.549 1.00 95.82 C ATOM 709 OD1 ASN A 4 10.413 -11.346 -7.884 1.00 97.85 O ATOM 710 ND2 ASN A 4 11.558 -9.421 -8.182 1.00 98.84 N ATOM 711 N ILE A 5 12.301 -14.124 -10.989 1.00 53.41 N ATOM 712 CA ILE A 5 11.758 -15.455 -11.200 1.00 57.39 C ATOM 713 C ILE A 5 12.671 -16.490 -10.545 1.00 57.90 C ATOM 714 O ILE A 5 12.200 -17.509 -10.024 1.00 63.51 O ATOM 715 CB ILE A 5 11.542 -15.720 -12.721 1.00 65.47 C ATOM 716 CG1 ILE A 5 11.921 -17.149 -13.095 1.00 63.82 C ATOM 717 CG2 ILE A 5 12.325 -14.706 -13.533 1.00 74.37 C ATOM 718 CD1 ILE A 5 10.954 -18.184 -12.614 1.00 68.46 C ATOM 719 N ARG A 6 13.977 -16.222 -10.547 1.00 62.13 N ATOM 720 CA ARG A 6 14.949 -17.122 -9.913 1.00 53.40 C ATOM 721 C ARG A 6 14.773 -17.079 -8.392 1.00 48.74 C ATOM 722 O ARG A 6 14.696 -18.123 -7.732 1.00 39.87 O ATOM 723 CB ARG A 6 16.373 -16.707 -10.270 1.00 56.77 C ATOM 724 CG ARG A 6 16.974 -17.513 -11.395 1.00 54.30 C ATOM 725 CD ARG A 6 18.402 -17.098 -11.659 1.00 50.29 C ATOM 726 NE ARG A 6 18.518 -16.343 -12.900 1.00 40.73 N ATOM 727 CZ ARG A 6 18.753 -15.041 -12.960 1.00 44.25 C ATOM 728 NH1 ARG A 6 18.909 -14.317 -11.844 1.00 46.95 N ATOM 729 NH2 ARG A 6 18.827 -14.462 -14.147 1.00 39.47 N ATOM 730 N ARG A 7 14.713 -15.869 -7.836 1.00 42.86 N ATOM 731 CA ARG A 7 14.525 -15.719 -6.393 1.00 55.33 C ATOM 732 C ARG A 7 13.199 -16.346 -5.944 1.00 61.75 C ATOM 733 O ARG A 7 12.997 -16.590 -4.743 1.00 66.58 O ATOM 734 CB ARG A 7 14.521 -14.241 -5.990 1.00 54.41 C ATOM 735 CG ARG A 7 15.861 -13.637 -5.535 1.00 59.51 C ATOM 736 CD ARG A 7 16.694 -13.211 -6.721 1.00 66.60 C ATOM 737 NE ARG A 7 17.789 -12.301 -6.394 1.00 69.48 N ATOM 738 CZ ARG A 7 18.699 -12.514 -5.444 1.00 75.05 C ATOM 739 NH1 ARG A 7 18.653 -13.596 -4.687 1.00 77.49 N ATOM 740 NH2 ARG A 7 19.711 -11.677 -5.296 1.00 68.10 N ATOM 741 N SER A 8 12.301 -16.602 -6.903 1.00 60.20 N ATOM 742 CA SER A 8 10.991 -17.178 -6.600 1.00 58.68 C ATOM 743 C SER A 8 10.847 -18.680 -6.840 1.00 61.89 C ATOM 744 O SER A 8 9.916 -19.298 -6.335 1.00 66.73 O ATOM 745 CB SER A 8 9.904 -16.425 -7.362 1.00 58.56 C ATOM 746 OG SER A 8 9.813 -15.085 -6.903 1.00 57.18 O ATOM 747 N MET A 9 11.751 -19.277 -7.607 1.00 61.44 N ATOM 748 CA MET A 9 11.672 -20.711 -7.836 1.00 65.93 C ATOM 749 C MET A 9 11.712 -21.521 -6.539 1.00 69.71 C ATOM 750 O MET A 9 12.680 -21.479 -5.787 1.00 76.20 O ATOM 751 CB MET A 9 12.801 -21.159 -8.751 1.00 74.10 C ATOM 752 CG MET A 9 12.468 -21.031 -10.222 1.00 94.42 C ATOM 753 SD MET A 9 11.124 -22.145 -10.695 1.00111.45 S ATOM 754 CE MET A 9 9.676 -21.041 -10.574 1.00109.95 C ATOM 755 N PRO A 10 10.644 -22.271 -6.257 1.00 73.26 N ATOM 756 CA PRO A 10 10.603 -23.080 -5.035 1.00 70.62 C ATOM 757 C PRO A 10 11.500 -24.295 -5.174 1.00 66.53 C ATOM 758 O PRO A 10 11.375 -25.055 -6.134 1.00 62.40 O ATOM 759 CB PRO A 10 9.128 -23.481 -4.929 1.00 68.46 C ATOM 760 CG PRO A 10 8.422 -22.399 -5.704 1.00 71.86 C ATOM 761 CD PRO A 10 9.316 -22.211 -6.887 1.00 70.74 C ATOM 762 N LEU A 11 12.401 -24.485 -4.217 1.00 66.00 N ATOM 763 CA LEU A 11 13.300 -25.633 -4.272 1.00 64.52 C ATOM 764 C LEU A 11 13.888 -26.064 -2.940 1.00 58.14 C ATOM 765 O LEU A 11 14.406 -27.164 -2.822 1.00 55.09 O ATOM 766 CB LEU A 11 14.420 -25.380 -5.295 1.00 63.67 C ATOM 767 CG LEU A 11 14.859 -23.931 -5.511 1.00 72.10 C ATOM 768 CD1 LEU A 11 15.959 -23.583 -4.531 1.00 79.14 C ATOM 769 CD2 LEU A 11 15.353 -23.752 -6.927 1.00 69.97 C ATOM 770 N PHE A 12 13.767 -25.224 -1.924 1.00 58.73 N ATOM 771 CA PHE A 12 14.312 -25.548 -0.616 1.00 56.08 C ATOM 772 C PHE A 12 13.368 -26.290 0.333 1.00 64.20 C ATOM 773 O PHE A 12 12.253 -25.844 0.604 1.00 70.70 O ATOM 774 CB PHE A 12 14.798 -24.261 0.035 1.00 55.29 C ATOM 775 CG PHE A 12 15.886 -23.576 -0.739 1.00 64.92 C ATOM 776 CD1 PHE A 12 17.143 -24.172 -0.865 1.00 64.04 C ATOM 777 CD2 PHE A 12 15.652 -22.357 -1.367 1.00 54.12 C ATOM 778 CE1 PHE A 12 18.145 -23.559 -1.601 1.00 71.25 C ATOM 779 CE2 PHE A 12 16.649 -21.735 -2.105 1.00 67.63 C ATOM 780 CZ PHE A 12 17.898 -22.338 -2.226 1.00 69.39 C ATOM 781 N PRO A 13 13.797 -27.459 0.829 1.00 70.07 N ATOM 782 CA PRO A 13 12.953 -28.226 1.757 1.00 66.97 C ATOM 783 C PRO A 13 13.018 -27.680 3.181 1.00 65.42 C ATOM 784 O PRO A 13 13.943 -26.955 3.550 1.00 61.96 O ATOM 785 CB PRO A 13 13.488 -29.654 1.634 1.00 61.35 C ATOM 786 CG PRO A 13 14.917 -29.453 1.244 1.00 68.50 C ATOM 787 CD PRO A 13 14.845 -28.316 0.246 1.00 70.73 C ATOM 788 N ILE A 14 12.014 -28.035 3.971 1.00 67.01 N ATOM 789 CA ILE A 14 11.882 -27.552 5.337 1.00 64.42 C ATOM 790 C ILE A 14 13.122 -27.868 6.184 1.00 57.87 C ATOM 791 O ILE A 14 13.505 -27.081 7.060 1.00 56.72 O ATOM 792 CB ILE A 14 10.521 -28.101 5.988 1.00 60.94 C ATOM 793 CG1 ILE A 14 10.230 -27.393 7.314 1.00 54.11 C ATOM 794 CG2 ILE A 14 10.575 -29.618 6.210 1.00 50.17 C ATOM 795 CD1 ILE A 14 9.893 -25.933 7.155 1.00 60.46 C ATOM 796 N GLY A 15 13.753 -29.002 5.905 1.00 50.80 N ATOM 797 CA GLY A 15 14.950 -29.399 6.637 1.00 59.29 C ATOM 798 C GLY A 15 16.090 -28.376 6.688 1.00 61.03 C ATOM 799 O GLY A 15 16.512 -27.985 7.780 1.00 60.23 O ATOM 800 N ILE A 16 16.608 -27.945 5.535 1.00 55.57 N ATOM 801 CA ILE A 16 17.681 -26.952 5.543 1.00 58.60 C ATOM 802 C ILE A 16 17.177 -25.618 6.040 1.00 57.98 C ATOM 803 O ILE A 16 17.867 -24.923 6.787 1.00 64.74 O ATOM 804 CB ILE A 16 18.268 -26.671 4.149 1.00 65.23 C ATOM 805 CG1 ILE A 16 17.248 -27.059 3.081 1.00 60.29 C ATOM 806 CG2 ILE A 16 19.640 -27.342 4.000 1.00 61.05 C ATOM 807 CD1 ILE A 16 17.556 -26.479 1.713 1.00 68.78 C ATOM 808 N VAL A 17 15.976 -25.250 5.605 1.00 59.34 N ATOM 809 CA VAL A 17 15.382 -23.975 5.994 1.00 46.92 C ATOM 810 C VAL A 17 15.360 -23.812 7.517 1.00 48.38 C ATOM 811 O VAL A 17 15.593 -22.710 8.051 1.00 50.32 O ATOM 812 CB VAL A 17 13.970 -23.852 5.415 1.00 47.36 C ATOM 813 CG1 VAL A 17 13.397 -22.494 5.751 1.00 49.33 C ATOM 814 CG2 VAL A 17 14.012 -24.054 3.869 1.00 40.22 C ATOM 815 N MET A 18 15.109 -24.908 8.225 1.00 42.53 N ATOM 816 CA MET A 18 15.085 -24.848 9.688 1.00 55.93 C ATOM 817 C MET A 18 16.488 -24.679 10.248 1.00 58.94 C ATOM 818 O MET A 18 16.692 -23.922 11.196 1.00 52.75 O ATOM 819 CB MET A 18 14.457 -26.107 10.273 1.00 58.32 C ATOM 820 CG MET A 18 12.985 -26.252 9.935 1.00 56.52 C ATOM 821 SD MET A 18 12.421 -27.886 10.356 1.00 63.13 S ATOM 822 CE MET A 18 12.556 -27.829 12.168 1.00 45.21 C ATOM 823 N GLN A 19 17.455 -25.379 9.659 1.00 63.43 N ATOM 824 CA GLN A 19 18.837 -25.272 10.119 1.00 68.52 C ATOM 825 C GLN A 19 19.360 -23.858 9.930 1.00 64.30 C ATOM 826 O GLN A 19 19.956 -23.291 10.846 1.00 63.29 O ATOM 827 CB GLN A 19 19.745 -26.238 9.357 1.00 77.89 C ATOM 828 CG GLN A 19 19.247 -27.661 9.351 1.00 91.68 C ATOM 829 CD GLN A 19 20.137 -28.584 8.546 1.00101.93 C ATOM 830 OE1 GLN A 19 19.745 -29.708 8.211 1.00107.75 O ATOM 831 NE2 GLN A 19 21.346 -28.120 8.236 1.00 98.18 N ATOM 832 N LEU A 20 19.117 -23.286 8.750 1.00 54.84 N ATOM 833 CA LEU A 20 19.593 -21.942 8.436 1.00 55.87 C ATOM 834 C LEU A 20 18.934 -20.792 9.164 1.00 57.29 C ATOM 835 O LEU A 20 19.597 -19.850 9.589 1.00 67.05 O ATOM 836 CB LEU A 20 19.471 -21.676 6.940 1.00 57.33 C ATOM 837 CG LEU A 20 19.644 -20.213 6.533 1.00 63.22 C ATOM 838 CD1 LEU A 20 20.664 -20.043 5.432 1.00 75.80 C ATOM 839 CD2 LEU A 20 18.296 -19.711 6.072 1.00 79.05 C ATOM 840 N THR A 21 17.620 -20.859 9.291 1.00 64.74 N ATOM 841 CA THR A 21 16.866 -19.784 9.916 1.00 59.96 C ATOM 842 C THR A 21 16.828 -19.933 11.418 1.00 59.35 C ATOM 843 O THR A 21 16.610 -18.960 12.141 1.00 64.66 O ATOM 844 CB THR A 21 15.424 -19.786 9.404 1.00 55.10 C ATOM 845 OG1 THR A 21 14.794 -21.003 9.814 1.00 55.43 O ATOM 846 CG2 THR A 21 15.389 -19.716 7.888 1.00 45.83 C ATOM 847 N GLU A 22 17.045 -21.157 11.881 1.00 57.87 N ATOM 848 CA GLU A 22 16.993 -21.450 13.309 1.00 64.35 C ATOM 849 C GLU A 22 15.539 -21.331 13.793 1.00 60.06 C ATOM 850 O GLU A 22 15.270 -20.967 14.930 1.00 57.06 O ATOM 851 CB GLU A 22 17.896 -20.487 14.094 1.00 65.09 C ATOM 852 CG GLU A 22 19.389 -20.733 13.899 1.00 76.43 C ATOM 853 CD GLU A 22 20.265 -19.886 14.821 1.00 78.36 C ATOM 854 OE1 GLU A 22 20.212 -18.634 14.748 1.00 81.58 O ATOM 855 OE2 GLU A 22 21.013 -20.481 15.621 1.00 73.21 O ATOM 856 N LEU A 23 14.598 -21.629 12.911 1.00 62.57 N ATOM 857 CA LEU A 23 13.189 -21.564 13.263 1.00 60.09 C ATOM 858 C LEU A 23 12.656 -22.984 13.346 1.00 61.68 C ATOM 859 O LEU A 23 13.175 -23.881 12.680 1.00 60.43 O ATOM 860 CB LEU A 23 12.425 -20.794 12.195 1.00 53.00 C ATOM 861 CG LEU A 23 12.676 -19.294 12.125 1.00 54.02 C ATOM 862 CD1 LEU A 23 11.901 -18.735 10.959 1.00 49.01 C ATOM 863 CD2 LEU A 23 12.242 -18.622 13.428 1.00 55.79 C ATOM 864 N SER A 24 11.638 -23.203 14.172 1.00 60.87 N ATOM 865 CA SER A 24 11.052 -24.538 14.277 1.00 63.19 C ATOM 866 C SER A 24 10.085 -24.732 13.113 1.00 59.48 C ATOM 867 O SER A 24 9.566 -23.762 12.543 1.00 52.12 O ATOM 868 CB SER A 24 10.266 -24.686 15.570 1.00 65.42 C ATOM 869 OG SER A 24 9.137 -23.834 15.537 1.00 72.34 O ATOM 870 N ALA A 25 9.834 -25.984 12.762 1.00 61.36 N ATOM 871 CA ALA A 25 8.901 -26.261 11.683 1.00 59.31 C ATOM 872 C ALA A 25 7.575 -25.567 12.032 1.00 60.66 C ATOM 873 O ALA A 25 6.921 -24.992 11.162 1.00 51.43 O ATOM 874 CB ALA A 25 8.715 -27.761 11.537 1.00 48.73 C ATOM 875 N ARG A 26 7.220 -25.587 13.319 1.00 60.93 N ATOM 876 CA ARG A 26 5.986 -24.970 13.813 1.00 66.41 C ATOM 877 C ARG A 26 5.949 -23.484 13.473 1.00 68.67 C ATOM 878 O ARG A 26 4.972 -22.988 12.894 1.00 71.05 O ATOM 879 CB ARG A 26 5.875 -25.181 15.338 1.00 75.56 C ATOM 880 CG ARG A 26 4.630 -24.597 16.034 1.00 85.73 C ATOM 881 CD ARG A 26 4.802 -23.117 16.451 1.00104.18 C ATOM 882 NE ARG A 26 3.585 -22.528 17.035 1.00113.67 N ATOM 883 CZ ARG A 26 3.451 -21.247 17.389 1.00112.35 C ATOM 884 NH1 ARG A 26 4.456 -20.398 17.227 1.00111.81 N ATOM 885 NH2 ARG A 26 2.301 -20.808 17.892 1.00114.71 N ATOM 886 N GLN A 27 7.017 -22.775 13.832 1.00 64.85 N ATOM 887 CA GLN A 27 7.105 -21.347 13.558 1.00 55.16 C ATOM 888 C GLN A 27 7.019 -21.094 12.060 1.00 57.24 C ATOM 889 O GLN A 27 6.324 -20.191 11.617 1.00 55.65 O ATOM 890 CB GLN A 27 8.423 -20.791 14.069 1.00 62.73 C ATOM 891 CG GLN A 27 8.619 -20.819 15.576 1.00 66.19 C ATOM 892 CD GLN A 27 10.031 -20.403 15.951 1.00 64.25 C ATOM 893 OE1 GLN A 27 10.991 -21.153 15.740 1.00 66.25 O ATOM 894 NE2 GLN A 27 10.170 -19.193 16.473 1.00 59.19 N ATOM 895 N ILE A 28 7.723 -21.900 11.277 1.00 57.85 N ATOM 896 CA ILE A 28 7.711 -21.725 9.836 1.00 57.92 C ATOM 897 C ILE A 28 6.280 -21.834 9.335 1.00 57.26 C ATOM 898 O ILE A 28 5.821 -21.011 8.540 1.00 60.17 O ATOM 899 CB ILE A 28 8.574 -22.799 9.129 1.00 62.32 C ATOM 900 CG1 ILE A 28 9.995 -22.782 9.686 1.00 60.48 C ATOM 901 CG2 ILE A 28 8.643 -22.520 7.630 1.00 56.58 C ATOM 902 CD1 ILE A 28 10.725 -21.519 9.376 1.00 72.72 C ATOM 903 N ARG A 29 5.572 -22.855 9.801 1.00 60.13 N ATOM 904 CA ARG A 29 4.193 -23.055 9.382 1.00 56.97 C ATOM 905 C ARG A 29 3.362 -21.828 9.740 1.00 59.21 C ATOM 906 O ARG A 29 2.634 -21.277 8.899 1.00 56.17 O ATOM 907 CB ARG A 29 3.641 -24.329 10.027 1.00 59.67 C ATOM 908 CG ARG A 29 4.206 -25.584 9.369 1.00 65.88 C ATOM 909 CD ARG A 29 3.385 -26.838 9.626 1.00 79.54 C ATOM 910 NE ARG A 29 3.822 -27.558 10.817 1.00 88.10 N ATOM 911 CZ ARG A 29 3.472 -27.240 12.056 1.00 90.52 C ATOM 912 NH1 ARG A 29 2.665 -26.209 12.282 1.00 96.46 N ATOM 913 NH2 ARG A 29 3.941 -27.951 13.069 1.00 88.29 N ATOM 914 N TYR A 30 3.517 -21.386 10.984 1.00 50.33 N ATOM 915 CA TYR A 30 2.822 -20.214 11.487 1.00 51.40 C ATOM 916 C TYR A 30 2.992 -18.975 10.599 1.00 56.75 C ATOM 917 O TYR A 30 2.008 -18.318 10.254 1.00 64.90 O ATOM 918 CB TYR A 30 3.305 -19.930 12.903 1.00 53.57 C ATOM 919 CG TYR A 30 2.721 -18.693 13.508 1.00 73.32 C ATOM 920 CD1 TYR A 30 3.507 -17.558 13.705 1.00 83.66 C ATOM 921 CD2 TYR A 30 1.381 -18.649 13.893 1.00 78.40 C ATOM 922 CE1 TYR A 30 2.975 -16.406 14.272 1.00 94.96 C ATOM 923 CE2 TYR A 30 0.834 -17.503 14.459 1.00 89.22 C ATOM 924 CZ TYR A 30 1.637 -16.385 14.646 1.00 94.86 C ATOM 925 OH TYR A 30 1.110 -15.244 15.201 1.00 94.79 O ATOM 926 N TYR A 31 4.229 -18.646 10.221 1.00 64.18 N ATOM 927 CA TYR A 31 4.471 -17.471 9.366 1.00 56.20 C ATOM 928 C TYR A 31 3.839 -17.694 7.993 1.00 48.42 C ATOM 929 O TYR A 31 3.432 -16.744 7.323 1.00 43.76 O ATOM 930 CB TYR A 31 5.988 -17.184 9.229 1.00 60.49 C ATOM 931 CG TYR A 31 6.648 -16.861 10.558 1.00 59.76 C ATOM 932 CD1 TYR A 31 6.236 -15.762 11.308 1.00 58.70 C ATOM 933 CD2 TYR A 31 7.574 -17.733 11.129 1.00 57.29 C ATOM 934 CE1 TYR A 31 6.710 -15.550 12.599 1.00 61.69 C ATOM 935 CE2 TYR A 31 8.055 -17.533 12.423 1.00 55.06 C ATOM 936 CZ TYR A 31 7.609 -16.443 13.155 1.00 63.12 C ATOM 937 OH TYR A 31 8.004 -16.259 14.462 1.00 71.46 O ATOM 938 N GLU A 32 3.770 -18.949 7.561 1.00 49.05 N ATOM 939 CA GLU A 32 3.140 -19.256 6.282 1.00 53.99 C ATOM 940 C GLU A 32 1.615 -19.022 6.425 1.00 58.54 C ATOM 941 O GLU A 32 0.972 -18.448 5.535 1.00 52.78 O ATOM 942 CB GLU A 32 3.396 -20.716 5.886 1.00 48.64 C ATOM 943 CG GLU A 32 2.662 -21.090 4.608 1.00 46.92 C ATOM 944 CD GLU A 32 2.727 -22.567 4.270 1.00 55.73 C ATOM 945 OE1 GLU A 32 3.002 -23.391 5.172 1.00 50.77 O ATOM 946 OE2 GLU A 32 2.475 -22.911 3.088 1.00 64.11 O ATOM 947 N GLU A 33 1.049 -19.459 7.552 1.00 54.01 N ATOM 948 CA GLU A 33 -0.385 -19.295 7.809 1.00 62.61 C ATOM 949 C GLU A 33 -0.795 -17.825 7.920 1.00 66.03 C ATOM 950 O GLU A 33 -1.966 -17.482 7.729 1.00 69.26 O ATOM 951 CB GLU A 33 -0.798 -20.074 9.068 1.00 66.01 C ATOM 952 CG GLU A 33 -1.741 -21.261 8.784 1.00 80.23 C ATOM 953 CD GLU A 33 -1.388 -22.023 7.505 1.00 90.21 C ATOM 954 OE1 GLU A 33 -1.673 -21.507 6.399 1.00 96.95 O ATOM 955 OE2 GLU A 33 -0.820 -23.134 7.599 1.00 93.30 O ATOM 956 N ASN A 34 0.175 -16.961 8.212 1.00 61.20 N ATOM 957 CA ASN A 34 -0.077 -15.530 8.302 1.00 47.22 C ATOM 958 C ASN A 34 0.267 -14.799 7.009 1.00 46.61 C ATOM 959 O ASN A 34 0.383 -13.578 6.989 1.00 50.20 O ATOM 960 CB ASN A 34 0.707 -14.931 9.456 1.00 53.08 C ATOM 961 CG ASN A 34 0.050 -15.198 10.797 1.00 67.93 C ATOM 962 OD1 ASN A 34 -0.966 -14.586 11.122 1.00 78.33 O ATOM 963 ND2 ASN A 34 0.617 -16.117 11.578 1.00 64.27 N ATOM 964 N GLY A 35 0.442 -15.535 5.921 1.00 47.71 N ATOM 965 CA GLY A 35 0.743 -14.869 4.660 1.00 53.93 C ATOM 966 C GLY A 35 2.099 -14.190 4.498 1.00 59.07 C ATOM 967 O GLY A 35 2.276 -13.389 3.572 1.00 57.68 O ATOM 968 N LEU A 36 3.054 -14.500 5.380 1.00 62.96 N ATOM 969 CA LEU A 36 4.400 -13.920 5.304 1.00 59.09 C ATOM 970 C LEU A 36 5.264 -14.589 4.233 1.00 55.66 C ATOM 971 O LEU A 36 6.115 -13.949 3.635 1.00 52.09 O ATOM 972 CB LEU A 36 5.093 -14.012 6.662 1.00 63.86 C ATOM 973 CG LEU A 36 4.968 -12.823 7.625 1.00 67.70 C ATOM 974 CD1 LEU A 36 3.695 -12.019 7.383 1.00 55.56 C ATOM 975 CD2 LEU A 36 5.026 -13.371 9.035 1.00 66.48 C ATOM 976 N ILE A 37 5.038 -15.869 3.973 1.00 55.82 N ATOM 977 CA ILE A 37 5.806 -16.563 2.952 1.00 60.08 C ATOM 978 C ILE A 37 4.847 -17.468 2.204 1.00 60.09 C ATOM 979 O ILE A 37 3.744 -17.691 2.674 1.00 62.83 O ATOM 980 CB ILE A 37 6.913 -17.410 3.577 1.00 60.77 C ATOM 981 CG1 ILE A 37 6.298 -18.385 4.578 1.00 59.73 C ATOM 982 CG2 ILE A 37 7.939 -16.501 4.238 1.00 55.70 C ATOM 983 CD1 ILE A 37 7.231 -19.468 5.019 1.00 49.37 C ATOM 984 N PHE A 38 5.264 -18.006 1.058 1.00 64.73 N ATOM 985 CA PHE A 38 4.381 -18.856 0.264 1.00 66.28 C ATOM 986 C PHE A 38 5.047 -20.070 -0.377 1.00 60.93 C ATOM 987 O PHE A 38 5.195 -20.149 -1.598 1.00 62.06 O ATOM 988 CB PHE A 38 3.706 -18.014 -0.823 1.00 70.43 C ATOM 989 CG PHE A 38 3.209 -16.684 -0.332 1.00 78.96 C ATOM 990 CD1 PHE A 38 4.044 -15.569 -0.339 1.00 78.77 C ATOM 991 CD2 PHE A 38 1.912 -16.548 0.152 1.00 84.22 C ATOM 992 CE1 PHE A 38 3.593 -14.340 0.127 1.00 82.71 C ATOM 993 CE2 PHE A 38 1.449 -15.318 0.623 1.00 87.90 C ATOM 994 CZ PHE A 38 2.291 -14.214 0.610 1.00 86.71 C ATOM 995 N PRO A 39 5.430 -21.052 0.440 1.00 53.43 N ATOM 996 CA PRO A 39 6.076 -22.249 -0.095 1.00 56.97 C ATOM 997 C PRO A 39 5.163 -23.225 -0.833 1.00 63.42 C ATOM 998 O PRO A 39 4.260 -23.802 -0.235 1.00 75.64 O ATOM 999 CB PRO A 39 6.691 -22.888 1.145 1.00 55.98 C ATOM 1000 CG PRO A 39 5.700 -22.528 2.226 1.00 48.68 C ATOM 1001 CD PRO A 39 5.435 -21.061 1.916 1.00 53.02 C ATOM 1002 N ALA A 40 5.415 -23.421 -2.126 1.00 61.09 N ATOM 1003 CA ALA A 40 4.647 -24.359 -2.943 1.00 54.64 C ATOM 1004 C ALA A 40 4.790 -25.752 -2.367 1.00 55.50 C ATOM 1005 O ALA A 40 5.341 -25.915 -1.281 1.00 56.64 O ATOM 1006 CB ALA A 40 5.138 -24.345 -4.384 1.00 48.35 C ATOM 1007 N ARG A 41 4.284 -26.757 -3.083 1.00 66.64 N ATOM 1008 CA ARG A 41 4.349 -28.139 -2.603 1.00 73.04 C ATOM 1009 C ARG A 41 4.730 -29.160 -3.669 1.00 81.14 C ATOM 1010 O ARG A 41 4.361 -29.021 -4.839 1.00 80.72 O ATOM 1011 CB ARG A 41 3.012 -28.550 -1.970 1.00 67.88 C ATOM 1012 CG ARG A 41 2.792 -28.025 -0.544 1.00 77.40 C ATOM 1013 CD ARG A 41 1.954 -26.755 -0.529 1.00 81.34 C ATOM 1014 NE ARG A 41 2.067 -25.981 0.713 1.00 88.41 N ATOM 1015 CZ ARG A 41 1.952 -26.478 1.946 1.00 96.01 C ATOM 1016 NH1 ARG A 41 1.721 -27.777 2.139 1.00 86.45 N ATOM 1017 NH2 ARG A 41 2.060 -25.664 2.994 1.00 93.00 N ATOM 1018 N THR A 42 5.469 -30.189 -3.250 1.00 89.04 N ATOM 1019 CA THR A 42 5.915 -31.252 -4.152 1.00 99.86 C ATOM 1020 C THR A 42 4.808 -32.268 -4.405 1.00110.28 C ATOM 1021 O THR A 42 3.627 -32.003 -4.170 1.00112.28 O ATOM 1022 CB THR A 42 7.115 -32.039 -3.572 1.00 99.05 C ATOM 1023 OG1 THR A 42 6.660 -32.939 -2.555 1.00 93.99 O ATOM 1024 CG2 THR A 42 8.119 -31.102 -2.965 1.00103.69 C ATOM 1025 N GLU A 43 5.207 -33.442 -4.883 1.00119.52 N ATOM 1026 CA GLU A 43 4.266 -34.516 -5.157 1.00127.09 C ATOM 1027 C GLU A 43 3.962 -35.204 -3.828 1.00128.40 C ATOM 1028 O GLU A 43 2.856 -35.711 -3.618 1.00132.07 O ATOM 1029 CB GLU A 43 4.881 -35.518 -6.139 1.00134.08 C ATOM 1030 CG GLU A 43 5.551 -34.877 -7.351 1.00143.43 C ATOM 1031 CD GLU A 43 4.583 -34.080 -8.206 1.00150.76 C ATOM 1032 OE1 GLU A 43 3.725 -34.696 -8.877 1.00153.70 O ATOM 1033 OE2 GLU A 43 4.679 -32.834 -8.200 1.00155.64 O ATOM 1034 N GLY A 44 4.956 -35.214 -2.938 1.00125.11 N ATOM 1035 CA GLY A 44 4.794 -35.826 -1.630 1.00118.48 C ATOM 1036 C GLY A 44 4.142 -34.855 -0.667 1.00114.81 C ATOM 1037 O GLY A 44 4.075 -35.098 0.539 1.00117.61 O ATOM 1038 N ASN A 45 3.662 -33.745 -1.221 1.00108.86 N ATOM 1039 CA ASN A 45 3.000 -32.689 -0.460 1.00107.07 C ATOM 1040 C ASN A 45 3.962 -31.953 0.485 1.00102.83 C ATOM 1041 O ASN A 45 3.537 -31.085 1.261 1.00101.07 O ATOM 1042 CB ASN A 45 1.802 -33.256 0.326 1.00100.84 C ATOM 1043 CG ASN A 45 0.855 -32.164 0.817 1.00101.76 C ATOM 1044 OD1 ASN A 45 0.352 -31.343 0.031 1.00 86.21 O ATOM 1045 ND2 ASN A 45 0.609 -32.148 2.125 1.00105.56 N ATOM 1046 N ARG A 46 5.250 -32.299 0.415 1.00 94.74 N ATOM 1047 CA ARG A 46 6.257 -31.639 1.245 1.00 82.59 C ATOM 1048 C ARG A 46 6.440 -30.202 0.766 1.00 69.25 C ATOM 1049 O ARG A 46 6.373 -29.910 -0.426 1.00 65.57 O ATOM 1050 CB ARG A 46 7.607 -32.364 1.178 1.00 87.54 C ATOM 1051 CG ARG A 46 7.778 -33.533 2.141 1.00 87.77 C ATOM 1052 CD ARG A 46 7.124 -34.786 1.608 1.00103.37 C ATOM 1053 NE ARG A 46 7.447 -35.972 2.401 1.00112.41 N ATOM 1054 CZ ARG A 46 6.958 -37.185 2.153 1.00119.99 C ATOM 1055 NH1 ARG A 46 6.125 -37.366 1.135 1.00124.99 N ATOM 1056 NH2 ARG A 46 7.298 -38.219 2.916 1.00124.88 N ATOM 1057 N ARG A 47 6.659 -29.303 1.710 1.00 62.93 N ATOM 1058 CA ARG A 47 6.850 -27.893 1.395 1.00 64.70 C ATOM 1059 C ARG A 47 8.205 -27.566 0.718 1.00 65.71 C ATOM 1060 O ARG A 47 9.256 -28.107 1.077 1.00 58.28 O ATOM 1061 CB ARG A 47 6.697 -27.076 2.680 1.00 61.78 C ATOM 1062 CG ARG A 47 5.396 -26.315 2.773 1.00 67.09 C ATOM 1063 CD ARG A 47 5.183 -25.757 4.161 1.00 62.93 C ATOM 1064 NE ARG A 47 4.889 -26.822 5.107 1.00 67.25 N ATOM 1065 CZ ARG A 47 3.804 -26.846 5.873 1.00 62.98 C ATOM 1066 NH1 ARG A 47 2.923 -25.863 5.791 1.00 60.73 N ATOM 1067 NH2 ARG A 47 3.606 -27.844 6.725 1.00 61.81 N ATOM 1068 N LEU A 48 8.159 -26.682 -0.271 1.00 58.55 N ATOM 1069 CA LEU A 48 9.341 -26.260 -0.994 1.00 54.05 C ATOM 1070 C LEU A 48 9.399 -24.744 -0.958 1.00 62.11 C ATOM 1071 O LEU A 48 8.546 -24.089 -1.569 1.00 54.99 O ATOM 1072 CB LEU A 48 9.264 -26.714 -2.442 1.00 63.77 C ATOM 1073 CG LEU A 48 9.497 -28.200 -2.716 1.00 68.65 C ATOM 1074 CD1 LEU A 48 9.371 -28.433 -4.219 1.00 64.15 C ATOM 1075 CD2 LEU A 48 10.879 -28.633 -2.222 1.00 55.52 C ATOM 1076 N PHE A 49 10.401 -24.182 -0.266 1.00 56.32 N ATOM 1077 CA PHE A 49 10.521 -22.728 -0.178 1.00 50.58 C ATOM 1078 C PHE A 49 11.391 -22.122 -1.274 1.00 54.72 C ATOM 1079 O PHE A 49 12.222 -22.800 -1.875 1.00 62.97 O ATOM 1080 CB PHE A 49 11.068 -22.309 1.185 1.00 49.30 C ATOM 1081 CG PHE A 49 10.347 -22.929 2.343 1.00 44.23 C ATOM 1082 CD1 PHE A 49 10.617 -24.233 2.724 1.00 44.49 C ATOM 1083 CD2 PHE A 49 9.391 -22.206 3.052 1.00 52.58 C ATOM 1084 CE1 PHE A 49 9.946 -24.814 3.801 1.00 60.89 C ATOM 1085 CE2 PHE A 49 8.714 -22.778 4.126 1.00 55.45 C ATOM 1086 CZ PHE A 49 8.991 -24.082 4.503 1.00 55.49 C ATOM 1087 N SER A 50 11.176 -20.839 -1.537 1.00 51.53 N ATOM 1088 CA SER A 50 11.921 -20.116 -2.545 1.00 51.08 C ATOM 1089 C SER A 50 13.013 -19.293 -1.849 1.00 58.87 C ATOM 1090 O SER A 50 13.022 -19.139 -0.626 1.00 59.58 O ATOM 1091 CB SER A 50 10.996 -19.158 -3.285 1.00 41.13 C ATOM 1092 OG SER A 50 10.688 -18.046 -2.454 1.00 53.02 O ATOM 1093 N PHE A 51 13.914 -18.729 -2.633 1.00 51.56 N ATOM 1094 CA PHE A 51 14.963 -17.944 -2.045 1.00 57.44 C ATOM 1095 C PHE A 51 14.371 -16.745 -1.293 1.00 52.27 C ATOM 1096 O PHE A 51 14.803 -16.426 -0.178 1.00 55.04 O ATOM 1097 CB PHE A 51 15.939 -17.491 -3.134 1.00 58.63 C ATOM 1098 CG PHE A 51 17.259 -17.098 -2.605 1.00 55.93 C ATOM 1099 CD1 PHE A 51 17.655 -15.769 -2.608 1.00 61.55 C ATOM 1100 CD2 PHE A 51 18.112 -18.059 -2.075 1.00 66.65 C ATOM 1101 CE1 PHE A 51 18.891 -15.394 -2.090 1.00 58.07 C ATOM 1102 CE2 PHE A 51 19.352 -17.695 -1.553 1.00 65.17 C ATOM 1103 CZ PHE A 51 19.737 -16.358 -1.565 1.00 57.58 C ATOM 1104 N HIS A 52 13.385 -16.085 -1.896 1.00 49.00 N ATOM 1105 CA HIS A 52 12.742 -14.938 -1.251 1.00 48.86 C ATOM 1106 C HIS A 52 12.102 -15.390 0.066 1.00 49.64 C ATOM 1107 O HIS A 52 12.101 -14.648 1.052 1.00 50.74 O ATOM 1108 CB HIS A 52 11.671 -14.331 -2.164 1.00 61.66 C ATOM 1109 CG HIS A 52 11.293 -12.927 -1.800 1.00 80.03 C ATOM 1110 ND1 HIS A 52 11.627 -11.834 -2.574 1.00 92.72 N ATOM 1111 CD2 HIS A 52 10.623 -12.432 -0.729 1.00 84.25 C ATOM 1112 CE1 HIS A 52 11.179 -10.730 -1.997 1.00 88.21 C ATOM 1113 NE2 HIS A 52 10.568 -11.068 -0.875 1.00 82.39 N ATOM 1114 N ASP A 53 11.566 -16.611 0.086 1.00 41.09 N ATOM 1115 CA ASP A 53 10.963 -17.120 1.308 1.00 46.77 C ATOM 1116 C ASP A 53 12.020 -17.229 2.403 1.00 49.06 C ATOM 1117 O ASP A 53 11.844 -16.671 3.501 1.00 48.36 O ATOM 1118 CB ASP A 53 10.299 -18.502 1.088 1.00 55.89 C ATOM 1119 CG ASP A 53 8.987 -18.429 0.265 1.00 60.98 C ATOM 1120 OD1 ASP A 53 8.204 -17.454 0.423 1.00 48.97 O ATOM 1121 OD2 ASP A 53 8.734 -19.370 -0.533 1.00 52.88 O ATOM 1122 N VAL A 54 13.119 -17.936 2.106 1.00 52.85 N ATOM 1123 CA VAL A 54 14.203 -18.123 3.081 1.00 46.30 C ATOM 1124 C VAL A 54 14.770 -16.768 3.500 1.00 43.74 C ATOM 1125 O VAL A 54 15.036 -16.502 4.683 1.00 38.23 O ATOM 1126 CB VAL A 54 15.328 -18.987 2.515 1.00 51.54 C ATOM 1127 CG1 VAL A 54 16.373 -19.226 3.592 1.00 49.91 C ATOM 1128 CG2 VAL A 54 14.767 -20.317 2.018 1.00 46.73 C ATOM 1129 N ASP A 55 14.916 -15.880 2.535 1.00 37.28 N ATOM 1130 CA ASP A 55 15.421 -14.557 2.861 1.00 40.05 C ATOM 1131 C ASP A 55 14.461 -13.881 3.865 1.00 47.65 C ATOM 1132 O ASP A 55 14.895 -13.355 4.894 1.00 51.26 O ATOM 1133 CB ASP A 55 15.575 -13.745 1.568 1.00 38.28 C ATOM 1134 CG ASP A 55 16.257 -12.402 1.792 1.00 53.39 C ATOM 1135 OD1 ASP A 55 16.657 -12.123 2.936 1.00 61.76 O ATOM 1136 OD2 ASP A 55 16.392 -11.622 0.823 1.00 53.22 O ATOM 1137 N LYS A 56 13.154 -13.907 3.588 1.00 51.85 N ATOM 1138 CA LYS A 56 12.188 -13.308 4.519 1.00 42.94 C ATOM 1139 C LYS A 56 12.194 -13.993 5.882 1.00 41.06 C ATOM 1140 O LYS A 56 12.088 -13.327 6.926 1.00 35.45 O ATOM 1141 CB LYS A 56 10.782 -13.342 3.942 1.00 49.88 C ATOM 1142 CG LYS A 56 10.564 -12.287 2.867 1.00 51.49 C ATOM 1143 CD LYS A 56 9.115 -12.173 2.442 1.00 54.99 C ATOM 1144 CE LYS A 56 8.617 -13.419 1.741 1.00 59.41 C ATOM 1145 NZ LYS A 56 7.370 -13.083 0.985 1.00 70.46 N ATOM 1146 N LEU A 57 12.312 -15.320 5.884 1.00 35.92 N ATOM 1147 CA LEU A 57 12.356 -16.047 7.141 1.00 41.41 C ATOM 1148 C LEU A 57 13.590 -15.643 7.985 1.00 56.60 C ATOM 1149 O LEU A 57 13.510 -15.589 9.222 1.00 59.74 O ATOM 1150 CB LEU A 57 12.359 -17.557 6.869 1.00 45.06 C ATOM 1151 CG LEU A 57 11.022 -18.208 6.463 1.00 58.85 C ATOM 1152 CD1 LEU A 57 11.196 -19.707 6.161 1.00 48.91 C ATOM 1153 CD2 LEU A 57 10.020 -18.033 7.599 1.00 45.81 C ATOM 1154 N LEU A 58 14.727 -15.369 7.332 1.00 51.87 N ATOM 1155 CA LEU A 58 15.927 -14.962 8.066 1.00 49.15 C ATOM 1156 C LEU A 58 15.671 -13.598 8.681 1.00 43.30 C ATOM 1157 O LEU A 58 16.137 -13.288 9.784 1.00 50.20 O ATOM 1158 CB LEU A 58 17.151 -14.897 7.141 1.00 45.07 C ATOM 1159 CG LEU A 58 17.747 -16.265 6.794 1.00 51.47 C ATOM 1160 CD1 LEU A 58 18.527 -16.184 5.470 1.00 44.94 C ATOM 1161 CD2 LEU A 58 18.618 -16.749 7.946 1.00 53.02 C ATOM 1162 N GLU A 59 14.930 -12.775 7.954 1.00 35.29 N ATOM 1163 CA GLU A 59 14.588 -11.445 8.442 1.00 40.10 C ATOM 1164 C GLU A 59 13.617 -11.551 9.620 1.00 50.68 C ATOM 1165 O GLU A 59 13.689 -10.756 10.559 1.00 52.00 O ATOM 1166 CB GLU A 59 13.947 -10.632 7.331 1.00 40.76 C ATOM 1167 CG GLU A 59 14.501 -9.225 7.204 1.00 70.83 C ATOM 1168 CD GLU A 59 14.480 -8.474 8.525 1.00 84.36 C ATOM 1169 OE1 GLU A 59 13.404 -8.441 9.156 1.00 92.51 O ATOM 1170 OE2 GLU A 59 15.529 -7.919 8.935 1.00 84.24 O ATOM 1171 N ILE A 60 12.710 -12.531 9.568 1.00 51.56 N ATOM 1172 CA ILE A 60 11.741 -12.716 10.644 1.00 54.48 C ATOM 1173 C ILE A 60 12.500 -13.131 11.900 1.00 53.19 C ATOM 1174 O ILE A 60 12.242 -12.617 12.988 1.00 53.19 O ATOM 1175 CB ILE A 60 10.672 -13.783 10.261 1.00 60.44 C ATOM 1176 CG1 ILE A 60 9.639 -13.160 9.308 1.00 53.81 C ATOM 1177 CG2 ILE A 60 10.009 -14.355 11.516 1.00 33.85 C ATOM 1178 CD1 ILE A 60 8.897 -14.184 8.449 1.00 47.03 C ATOM 1179 N LYS A 61 13.450 -14.049 11.746 1.00 50.93 N ATOM 1180 CA LYS A 61 14.257 -14.486 12.886 1.00 58.22 C ATOM 1181 C LYS A 61 14.947 -13.273 13.508 1.00 61.55 C ATOM 1182 O LYS A 61 14.952 -13.099 14.728 1.00 63.29 O ATOM 1183 CB LYS A 61 15.322 -15.490 12.443 1.00 62.56 C ATOM 1184 CG LYS A 61 16.228 -15.961 13.558 1.00 55.03 C ATOM 1185 CD LYS A 61 15.494 -16.818 14.554 1.00 56.46 C ATOM 1186 CE LYS A 61 16.424 -17.187 15.683 1.00 58.75 C ATOM 1187 NZ LYS A 61 15.849 -18.273 16.493 1.00 55.89 N ATOM 1188 N HIS A 62 15.504 -12.420 12.654 1.00 58.63 N ATOM 1189 CA HIS A 62 16.201 -11.228 13.113 1.00 56.14 C ATOM 1190 C HIS A 62 15.278 -10.266 13.862 1.00 57.03 C ATOM 1191 O HIS A 62 15.609 -9.803 14.958 1.00 51.81 O ATOM 1192 CB HIS A 62 16.850 -10.525 11.922 1.00 52.86 C ATOM 1193 CG HIS A 62 17.613 -9.295 12.291 1.00 66.73 C ATOM 1194 ND1 HIS A 62 17.381 -8.072 11.700 1.00 73.75 N ATOM 1195 CD2 HIS A 62 18.614 -9.099 13.183 1.00 67.74 C ATOM 1196 CE1 HIS A 62 18.206 -7.175 12.209 1.00 68.51 C ATOM 1197 NE2 HIS A 62 18.964 -7.774 13.111 1.00 69.48 N ATOM 1198 N LEU A 63 14.122 -9.960 13.274 1.00 60.17 N ATOM 1199 CA LEU A 63 13.176 -9.065 13.935 1.00 55.79 C ATOM 1200 C LEU A 63 12.723 -9.654 15.280 1.00 55.04 C ATOM 1201 O LEU A 63 12.576 -8.924 16.265 1.00 56.06 O ATOM 1202 CB LEU A 63 11.975 -8.806 13.038 1.00 45.73 C ATOM 1203 CG LEU A 63 12.304 -8.001 11.781 1.00 47.76 C ATOM 1204 CD1 LEU A 63 11.103 -8.015 10.866 1.00 51.52 C ATOM 1205 CD2 LEU A 63 12.697 -6.570 12.135 1.00 36.98 C ATOM 1206 N ILE A 64 12.517 -10.967 15.333 1.00 49.46 N ATOM 1207 CA ILE A 64 12.105 -11.592 16.585 1.00 58.34 C ATOM 1208 C ILE A 64 13.151 -11.326 17.663 1.00 63.04 C ATOM 1209 O ILE A 64 12.829 -10.939 18.786 1.00 61.78 O ATOM 1210 CB ILE A 64 11.935 -13.128 16.450 1.00 61.52 C ATOM 1211 CG1 ILE A 64 10.810 -13.470 15.464 1.00 55.22 C ATOM 1212 CG2 ILE A 64 11.639 -13.729 17.806 1.00 52.74 C ATOM 1213 CD1 ILE A 64 9.543 -12.667 15.668 1.00 78.77 C ATOM 1214 N GLU A 65 14.416 -11.518 17.313 1.00 67.35 N ATOM 1215 CA GLU A 65 15.486 -11.303 18.276 1.00 68.44 C ATOM 1216 C GLU A 65 15.527 -9.868 18.771 1.00 67.24 C ATOM 1217 O GLU A 65 15.994 -9.606 19.871 1.00 69.51 O ATOM 1218 CB GLU A 65 16.832 -11.682 17.662 1.00 65.07 C ATOM 1219 CG GLU A 65 16.895 -13.132 17.217 1.00 57.88 C ATOM 1220 CD GLU A 65 18.235 -13.512 16.626 1.00 61.61 C ATOM 1221 OE1 GLU A 65 18.802 -12.701 15.852 1.00 59.19 O ATOM 1222 OE2 GLU A 65 18.709 -14.631 16.923 1.00 61.70 O ATOM 1223 N GLN A 66 15.039 -8.937 17.960 1.00 65.10 N ATOM 1224 CA GLN A 66 15.032 -7.540 18.358 1.00 61.01 C ATOM 1225 C GLN A 66 13.767 -7.165 19.098 1.00 64.92 C ATOM 1226 O GLN A 66 13.526 -5.987 19.365 1.00 65.87 O ATOM 1227 CB GLN A 66 15.201 -6.648 17.137 1.00 62.58 C ATOM 1228 CG GLN A 66 16.647 -6.548 16.682 1.00 78.71 C ATOM 1229 CD GLN A 66 16.770 -6.396 15.185 1.00 95.01 C ATOM 1230 OE1 GLN A 66 16.448 -7.318 14.428 1.00104.52 O ATOM 1231 NE2 GLN A 66 17.230 -5.229 14.743 1.00100.86 N ATOM 1232 N GLY A 67 12.948 -8.166 19.411 1.00 60.43 N ATOM 1233 CA GLY A 67 11.723 -7.905 20.149 1.00 60.88 C ATOM 1234 C GLY A 67 10.479 -7.498 19.380 1.00 62.00 C ATOM 1235 O GLY A 67 9.458 -7.207 19.997 1.00 62.97 O ATOM 1236 N VAL A 68 10.540 -7.484 18.052 1.00 57.97 N ATOM 1237 CA VAL A 68 9.381 -7.096 17.261 1.00 59.20 C ATOM 1238 C VAL A 68 8.311 -8.177 17.335 1.00 61.02 C ATOM 1239 O VAL A 68 8.621 -9.362 17.282 1.00 66.55 O ATOM 1240 CB VAL A 68 9.772 -6.870 15.788 1.00 61.47 C ATOM 1241 CG1 VAL A 68 8.583 -6.346 14.991 1.00 57.36 C ATOM 1242 CG2 VAL A 68 10.919 -5.890 15.715 1.00 53.90 C ATOM 1243 N ASN A 69 7.053 -7.770 17.476 1.00 64.25 N ATOM 1244 CA ASN A 69 5.943 -8.724 17.539 1.00 63.09 C ATOM 1245 C ASN A 69 5.389 -9.027 16.147 1.00 60.74 C ATOM 1246 O ASN A 69 5.800 -8.423 15.153 1.00 57.11 O ATOM 1247 CB ASN A 69 4.813 -8.193 18.443 1.00 56.60 C ATOM 1248 CG ASN A 69 4.289 -6.814 18.013 1.00 63.08 C ATOM 1249 OD1 ASN A 69 3.463 -6.218 18.709 1.00 64.34 O ATOM 1250 ND2 ASN A 69 4.763 -6.308 16.873 1.00 59.21 N ATOM 1251 N MET A 70 4.446 -9.963 16.087 1.00 66.93 N ATOM 1252 CA MET A 70 3.823 -10.371 14.828 1.00 63.27 C ATOM 1253 C MET A 70 3.328 -9.194 13.994 1.00 64.13 C ATOM 1254 O MET A 70 3.525 -9.151 12.768 1.00 63.06 O ATOM 1255 CB MET A 70 2.657 -11.312 15.114 1.00 66.55 C ATOM 1256 CG MET A 70 2.802 -12.658 14.465 1.00 79.68 C ATOM 1257 SD MET A 70 3.178 -12.494 12.712 1.00 85.62 S ATOM 1258 CE MET A 70 4.915 -12.842 12.742 1.00 94.29 C ATOM 1259 N ALA A 71 2.672 -8.252 14.670 1.00 59.27 N ATOM 1260 CA ALA A 71 2.131 -7.051 14.036 1.00 57.58 C ATOM 1261 C ALA A 71 3.237 -6.270 13.343 1.00 53.50 C ATOM 1262 O ALA A 71 3.052 -5.753 12.237 1.00 54.92 O ATOM 1263 CB ALA A 71 1.464 -6.175 15.084 1.00 60.84 C ATOM 1264 N GLY A 72 4.384 -6.185 14.017 1.00 55.62 N ATOM 1265 CA GLY A 72 5.535 -5.480 13.477 1.00 54.14 C ATOM 1266 C GLY A 72 6.079 -6.198 12.257 1.00 60.00 C ATOM 1267 O GLY A 72 6.279 -5.584 11.195 1.00 57.34 O ATOM 1268 N ILE A 73 6.305 -7.504 12.411 1.00 54.74 N ATOM 1269 CA ILE A 73 6.809 -8.329 11.325 1.00 59.89 C ATOM 1270 C ILE A 73 5.978 -8.051 10.073 1.00 61.12 C ATOM 1271 O ILE A 73 6.517 -7.712 9.023 1.00 67.42 O ATOM 1272 CB ILE A 73 6.685 -9.838 11.645 1.00 62.62 C ATOM 1273 CG1 ILE A 73 7.270 -10.158 13.023 1.00 60.93 C ATOM 1274 CG2 ILE A 73 7.381 -10.643 10.580 1.00 66.64 C ATOM 1275 CD1 ILE A 73 8.738 -9.890 13.159 1.00 73.68 C ATOM 1276 N LYS A 74 4.662 -8.182 10.195 1.00 63.54 N ATOM 1277 CA LYS A 74 3.775 -7.954 9.056 1.00 66.69 C ATOM 1278 C LYS A 74 3.978 -6.586 8.428 1.00 62.64 C ATOM 1279 O LYS A 74 4.222 -6.480 7.229 1.00 62.08 O ATOM 1280 CB LYS A 74 2.306 -8.111 9.469 1.00 71.39 C ATOM 1281 CG LYS A 74 1.896 -9.536 9.871 1.00 76.76 C ATOM 1282 CD LYS A 74 0.414 -9.597 10.238 1.00 85.40 C ATOM 1283 CE LYS A 74 -0.012 -10.973 10.739 1.00 93.71 C ATOM 1284 NZ LYS A 74 -1.477 -11.016 11.044 1.00 98.91 N ATOM 1285 N GLN A 75 3.880 -5.534 9.230 1.00 59.99 N ATOM 1286 CA GLN A 75 4.054 -4.193 8.692 1.00 60.63 C ATOM 1287 C GLN A 75 5.327 -4.084 7.889 1.00 63.15 C ATOM 1288 O GLN A 75 5.300 -3.712 6.717 1.00 62.66 O ATOM 1289 CB GLN A 75 4.097 -3.169 9.817 1.00 66.93 C ATOM 1290 CG GLN A 75 2.741 -2.822 10.368 1.00 75.80 C ATOM 1291 CD GLN A 75 1.869 -2.154 9.332 1.00 75.20 C ATOM 1292 OE1 GLN A 75 2.270 -1.162 8.709 1.00 77.14 O ATOM 1293 NE2 GLN A 75 0.670 -2.689 9.136 1.00 77.41 N ATOM 1294 N ILE A 76 6.445 -4.404 8.538 1.00 64.51 N ATOM 1295 CA ILE A 76 7.755 -4.337 7.910 1.00 62.81 C ATOM 1296 C ILE A 76 7.839 -5.120 6.598 1.00 72.08 C ATOM 1297 O ILE A 76 8.126 -4.532 5.554 1.00 80.43 O ATOM 1298 CB ILE A 76 8.853 -4.823 8.885 1.00 65.08 C ATOM 1299 CG1 ILE A 76 8.963 -3.851 10.061 1.00 59.43 C ATOM 1300 CG2 ILE A 76 10.184 -4.909 8.175 1.00 48.47 C ATOM 1301 CD1 ILE A 76 9.598 -4.458 11.297 1.00 61.00 C ATOM 1302 N LEU A 77 7.585 -6.428 6.632 1.00 69.16 N ATOM 1303 CA LEU A 77 7.653 -7.226 5.408 1.00 71.41 C ATOM 1304 C LEU A 77 6.745 -6.670 4.325 1.00 75.48 C ATOM 1305 O LEU A 77 7.086 -6.702 3.145 1.00 82.25 O ATOM 1306 CB LEU A 77 7.284 -8.686 5.674 1.00 66.22 C ATOM 1307 CG LEU A 77 8.253 -9.479 6.554 1.00 65.58 C ATOM 1308 CD1 LEU A 77 7.827 -10.928 6.576 1.00 63.40 C ATOM 1309 CD2 LEU A 77 9.662 -9.366 6.018 1.00 62.18 C ATOM 1310 N ALA A 78 5.585 -6.163 4.723 1.00 76.58 N ATOM 1311 CA ALA A 78 4.663 -5.585 3.758 1.00 79.38 C ATOM 1312 C ALA A 78 5.309 -4.356 3.112 1.00 82.53 C ATOM 1313 O ALA A 78 5.366 -4.244 1.887 1.00 83.71 O ATOM 1314 CB ALA A 78 3.360 -5.198 4.443 1.00 77.24 C ATOM 1315 N LYS A 79 5.811 -3.444 3.940 1.00 89.17 N ATOM 1316 CA LYS A 79 6.442 -2.229 3.436 1.00 95.91 C ATOM 1317 C LYS A 79 7.718 -2.523 2.661 1.00 98.77 C ATOM 1318 O LYS A 79 8.285 -1.636 2.029 1.00101.95 O ATOM 1319 CB LYS A 79 6.736 -1.256 4.586 1.00 98.04 C ATOM 1320 CG LYS A 79 5.479 -0.702 5.246 1.00106.51 C ATOM 1321 CD LYS A 79 5.769 0.517 6.114 1.00108.04 C ATOM 1322 CE LYS A 79 4.470 1.154 6.609 1.00106.97 C ATOM 1323 NZ LYS A 79 4.683 2.492 7.238 1.00102.35 N ATOM 1324 N ALA A 80 8.172 -3.769 2.713 1.00101.94 N ATOM 1325 CA ALA A 80 9.372 -4.149 1.986 1.00106.18 C ATOM 1326 C ALA A 80 8.937 -4.562 0.585 1.00110.35 C ATOM 1327 O ALA A 80 9.646 -4.333 -0.394 1.00111.44 O ATOM 1328 CB ALA A 80 10.074 -5.302 2.689 1.00102.70 C ATOM 1329 N GLU A 81 7.757 -5.165 0.498 1.00115.00 N ATOM 1330 CA GLU A 81 7.222 -5.600 -0.783 1.00122.31 C ATOM 1331 C GLU A 81 6.751 -4.386 -1.563 1.00126.58 C ATOM 1332 O GLU A 81 6.557 -4.455 -2.774 1.00128.39 O ATOM 1333 CB GLU A 81 6.051 -6.563 -0.571 1.00123.26 C ATOM 1334 CG GLU A 81 6.429 -7.851 0.148 1.00125.35 C ATOM 1335 CD GLU A 81 7.208 -8.822 -0.728 1.00126.12 C ATOM 1336 OE1 GLU A 81 8.222 -8.403 -1.328 1.00130.66 O ATOM 1337 OE2 GLU A 81 6.809 -10.005 -0.812 1.00123.21 O ATOM 1338 N ALA A 82 6.569 -3.274 -0.861 1.00131.46 N ATOM 1339 CA ALA A 82 6.119 -2.045 -1.495 1.00138.11 C ATOM 1340 C ALA A 82 7.293 -1.127 -1.834 1.00143.84 C ATOM 1341 O ALA A 82 7.107 -0.075 -2.448 1.00144.01 O ATOM 1342 CB ALA A 82 5.130 -1.325 -0.585 1.00136.16 C ATOM 1343 N GLU A 83 8.497 -1.533 -1.432 1.00151.32 N ATOM 1344 CA GLU A 83 9.714 -0.757 -1.691 1.00156.63 C ATOM 1345 C GLU A 83 10.221 -0.965 -3.117 1.00157.85 C ATOM 1346 O GLU A 83 10.236 0.021 -3.887 1.00158.52 O ATOM 1347 CB GLU A 83 10.823 -1.143 -0.698 1.00158.74 C ATOM 1348 CG GLU A 83 10.765 -0.421 0.649 1.00160.89 C ATOM 1349 CD GLU A 83 11.793 -0.945 1.643 1.00162.02 C ATOM 1350 OE1 GLU A 83 12.985 -1.045 1.275 1.00161.82 O ATOM 1351 OE2 GLU A 83 11.408 -1.249 2.793 1.00160.58 O TER 1352 GLU A 83 ATOM 1353 O5' DA D 9 -8.926 25.102 38.003 1.00 63.48 O ATOM 1354 C5' DA D 9 -9.229 25.120 36.583 1.00 92.35 C ATOM 1355 C4' DA D 9 -8.178 25.526 35.561 1.00 88.72 C ATOM 1356 O4' DA D 9 -7.012 26.074 36.216 1.00 83.20 O ATOM 1357 C3' DA D 9 -7.652 24.398 34.661 1.00 94.05 C ATOM 1358 O3' DA D 9 -7.393 24.861 33.321 1.00 93.31 O ATOM 1359 C2' DA D 9 -6.331 24.030 35.305 1.00 87.28 C ATOM 1360 C1' DA D 9 -5.853 25.376 35.786 1.00 75.65 C ATOM 1361 N9 DA D 9 -4.949 25.289 36.921 1.00 77.79 N ATOM 1362 C8 DA D 9 -5.250 25.084 38.246 1.00 79.49 C ATOM 1363 N7 DA D 9 -4.197 25.109 39.034 1.00 80.28 N ATOM 1364 C5 DA D 9 -3.139 25.338 38.164 1.00 68.39 C ATOM 1365 C6 DA D 9 -1.762 25.499 38.372 1.00 65.54 C ATOM 1366 N6 DA D 9 -1.188 25.487 39.580 1.00 56.59 N ATOM 1367 N1 DA D 9 -0.982 25.693 37.283 1.00 61.74 N ATOM 1368 C2 DA D 9 -1.564 25.743 36.075 1.00 61.73 C ATOM 1369 N3 DA D 9 -2.850 25.632 35.758 1.00 64.55 N ATOM 1370 C4 DA D 9 -3.588 25.429 36.858 1.00 66.29 C ATOM 1371 P DT D 10 -7.061 23.793 32.154 1.00 89.20 P ATOM 1372 OP1 DT D 10 -7.244 24.468 30.844 1.00 89.17 O ATOM 1373 OP2 DT D 10 -7.809 22.540 32.448 1.00 87.93 O ATOM 1374 O5' DT D 10 -5.507 23.484 32.326 1.00 75.59 O ATOM 1375 C5' DT D 10 -4.556 24.349 31.742 1.00 80.21 C ATOM 1376 C4' DT D 10 -3.185 23.715 31.711 1.00 82.30 C ATOM 1377 O4' DT D 10 -2.535 23.797 33.002 1.00 82.01 O ATOM 1378 C3' DT D 10 -3.073 22.257 31.251 1.00 85.39 C ATOM 1379 O3' DT D 10 -2.063 22.189 30.233 1.00 83.21 O ATOM 1380 C2' DT D 10 -2.628 21.523 32.511 1.00 86.10 C ATOM 1381 C1' DT D 10 -1.828 22.594 33.244 1.00 82.13 C ATOM 1382 N1 DT D 10 -1.687 22.429 34.716 1.00 74.26 N ATOM 1383 C2 DT D 10 -0.432 22.602 35.288 1.00 69.34 C ATOM 1384 O2 DT D 10 0.573 22.881 34.648 1.00 77.04 O ATOM 1385 N3 DT D 10 -0.398 22.444 36.649 1.00 54.58 N ATOM 1386 C4 DT D 10 -1.458 22.154 37.482 1.00 66.90 C ATOM 1387 O4 DT D 10 -1.274 22.072 38.699 1.00 65.86 O ATOM 1388 C5 DT D 10 -2.738 21.977 36.819 1.00 66.95 C ATOM 1389 C7 DT D 10 -3.941 21.644 37.641 1.00 68.66 C ATOM 1390 C6 DT D 10 -2.786 22.120 35.489 1.00 65.62 C ATOM 1391 P DT D 11 -1.664 20.780 29.569 1.00 73.97 P ATOM 1392 OP1 DT D 11 -1.369 21.054 28.146 1.00 75.15 O ATOM 1393 OP2 DT D 11 -2.666 19.740 29.923 1.00 86.34 O ATOM 1394 O5' DT D 11 -0.265 20.464 30.256 1.00 67.42 O ATOM 1395 C5' DT D 11 0.782 21.413 30.155 1.00 67.60 C ATOM 1396 C4' DT D 11 2.007 20.952 30.905 1.00 73.16 C ATOM 1397 O4' DT D 11 1.788 21.002 32.335 1.00 76.06 O ATOM 1398 C3' DT D 11 2.471 19.533 30.590 1.00 72.84 C ATOM 1399 O3' DT D 11 3.874 19.557 30.351 1.00 78.50 O ATOM 1400 C2' DT D 11 2.144 18.757 31.856 1.00 67.10 C ATOM 1401 C1' DT D 11 2.291 19.819 32.929 1.00 69.46 C ATOM 1402 N1 DT D 11 1.526 19.582 34.175 1.00 67.17 N ATOM 1403 C2 DT D 11 2.173 19.718 35.396 1.00 68.67 C ATOM 1404 O2 DT D 11 3.356 20.000 35.506 1.00 77.48 O ATOM 1405 N3 DT D 11 1.374 19.508 36.490 1.00 65.37 N ATOM 1406 C4 DT D 11 0.031 19.174 36.491 1.00 70.73 C ATOM 1407 O4 DT D 11 -0.566 19.033 37.556 1.00 70.78 O ATOM 1408 C5 DT D 11 -0.569 19.023 35.182 1.00 69.10 C ATOM 1409 C7 DT D 11 -2.008 18.626 35.086 1.00 65.62 C ATOM 1410 C6 DT D 11 0.197 19.236 34.108 1.00 65.22 C ATOM 1411 P DC D 12 4.679 18.184 30.265 1.00 74.73 P ATOM 1412 OP1 DC D 12 5.871 18.337 29.391 1.00 76.82 O ATOM 1413 OP2 DC D 12 3.651 17.159 29.949 1.00 71.02 O ATOM 1414 O5' DC D 12 5.212 18.014 31.751 1.00 76.38 O ATOM 1415 C5' DC D 12 6.156 18.943 32.283 1.00 78.07 C ATOM 1416 C4' DC D 12 6.975 18.278 33.360 1.00 74.66 C ATOM 1417 O4' DC D 12 6.220 18.239 34.600 1.00 69.03 O ATOM 1418 C3' DC D 12 7.274 16.832 32.985 1.00 79.13 C ATOM 1419 O3' DC D 12 8.622 16.475 33.214 1.00 81.99 O ATOM 1420 C2' DC D 12 6.345 16.012 33.859 1.00 80.41 C ATOM 1421 C1' DC D 12 6.093 16.905 35.067 1.00 76.16 C ATOM 1422 N1 DC D 12 4.727 16.732 35.598 1.00 66.95 N ATOM 1423 C2 DC D 12 4.538 16.596 36.975 1.00 67.62 C ATOM 1424 O2 DC D 12 5.526 16.692 37.729 1.00 64.45 O ATOM 1425 N3 DC D 12 3.285 16.367 37.450 1.00 52.10 N ATOM 1426 C4 DC D 12 2.252 16.298 36.601 1.00 59.28 C ATOM 1427 N4 DC D 12 1.034 16.066 37.099 1.00 63.02 N ATOM 1428 C5 DC D 12 2.417 16.461 35.201 1.00 61.98 C ATOM 1429 C6 DC D 12 3.658 16.676 34.748 1.00 70.56 C ATOM 1430 P DT D 13 9.152 15.071 32.651 1.00 83.80 P ATOM 1431 OP1 DT D 13 10.408 15.290 31.883 1.00 78.66 O ATOM 1432 OP2 DT D 13 7.988 14.411 32.007 1.00 75.85 O ATOM 1433 O5' DT D 13 9.509 14.265 33.971 1.00 91.48 O ATOM 1434 C5' DT D 13 10.275 14.874 35.000 1.00 85.60 C ATOM 1435 C4' DT D 13 10.263 13.994 36.222 1.00 82.95 C ATOM 1436 O4' DT D 13 8.952 14.052 36.834 1.00 79.07 O ATOM 1437 C3' DT D 13 10.526 12.524 35.899 1.00 86.07 C ATOM 1438 O3' DT D 13 11.454 11.989 36.847 1.00 86.80 O ATOM 1439 C2' DT D 13 9.145 11.882 35.969 1.00 75.74 C ATOM 1440 C1' DT D 13 8.409 12.753 36.978 1.00 72.13 C ATOM 1441 N1 DT D 13 6.949 12.856 36.776 1.00 67.77 N ATOM 1442 C2 DT D 13 6.123 12.760 37.877 1.00 67.28 C ATOM 1443 O2 DT D 13 6.538 12.607 39.011 1.00 76.26 O ATOM 1444 N3 DT D 13 4.781 12.850 37.597 1.00 66.10 N ATOM 1445 C4 DT D 13 4.199 13.028 36.353 1.00 66.39 C ATOM 1446 O4 DT D 13 2.978 13.081 36.247 1.00 73.42 O ATOM 1447 C5 DT D 13 5.122 13.131 35.248 1.00 64.96 C ATOM 1448 C7 DT D 13 4.578 13.328 33.868 1.00 65.00 C ATOM 1449 C6 DT D 13 6.434 13.047 35.511 1.00 67.40 C ATOM 1450 P DG D 14 11.953 10.467 36.711 1.00 91.70 P ATOM 1451 OP1 DG D 14 13.370 10.424 37.156 1.00 90.50 O ATOM 1452 OP2 DG D 14 11.602 9.960 35.355 1.00 88.96 O ATOM 1453 O5' DG D 14 11.055 9.737 37.804 1.00 85.52 O ATOM 1454 C5' DG D 14 10.952 10.290 39.116 1.00 87.51 C ATOM 1455 C4' DG D 14 10.035 9.455 39.977 1.00 94.29 C ATOM 1456 O4' DG D 14 8.644 9.753 39.695 1.00 95.05 O ATOM 1457 C3' DG D 14 10.195 7.944 39.809 1.00 98.07 C ATOM 1458 O3' DG D 14 10.136 7.313 41.092 1.00 99.63 O ATOM 1459 C2' DG D 14 8.991 7.556 38.966 1.00 95.23 C ATOM 1460 C1' DG D 14 7.939 8.549 39.439 1.00 87.23 C ATOM 1461 N9 DG D 14 6.897 8.840 38.462 1.00 82.44 N ATOM 1462 C8 DG D 14 7.056 9.055 37.110 1.00 80.67 C ATOM 1463 N7 DG D 14 5.926 9.273 36.487 1.00 69.10 N ATOM 1464 C5 DG D 14 4.964 9.200 37.486 1.00 73.34 C ATOM 1465 C6 DG D 14 3.551 9.340 37.413 1.00 68.78 C ATOM 1466 O6 DG D 14 2.850 9.552 36.422 1.00 73.52 O ATOM 1467 N1 DG D 14 2.957 9.195 38.662 1.00 74.21 N ATOM 1468 C2 DG D 14 3.631 8.939 39.835 1.00 75.73 C ATOM 1469 N2 DG D 14 2.868 8.819 40.932 1.00 68.24 N ATOM 1470 N3 DG D 14 4.950 8.806 39.920 1.00 68.96 N ATOM 1471 C4 DG D 14 5.547 8.944 38.714 1.00 76.47 C ATOM 1472 P DA D 15 10.407 5.737 41.219 1.00 95.06 P ATOM 1473 OP1 DA D 15 11.336 5.563 42.361 1.00 98.29 O ATOM 1474 OP2 DA D 15 10.745 5.159 39.888 1.00 91.87 O ATOM 1475 O5' DA D 15 8.992 5.160 41.640 1.00 88.99 O ATOM 1476 C5' DA D 15 8.224 5.803 42.639 1.00 74.84 C ATOM 1477 C4' DA D 15 6.848 5.193 42.676 1.00 77.29 C ATOM 1478 O4' DA D 15 6.050 5.685 41.570 1.00 80.80 O ATOM 1479 C3' DA D 15 6.868 3.670 42.537 1.00 73.72 C ATOM 1480 O3' DA D 15 5.846 3.128 43.369 1.00 81.51 O ATOM 1481 C2' DA D 15 6.512 3.457 41.074 1.00 75.55 C ATOM 1482 C1' DA D 15 5.516 4.581 40.856 1.00 73.44 C ATOM 1483 N9 DA D 15 5.275 4.999 39.472 1.00 64.21 N ATOM 1484 C8 DA D 15 6.181 5.183 38.458 1.00 66.45 C ATOM 1485 N7 DA D 15 5.638 5.588 37.332 1.00 65.03 N ATOM 1486 C5 DA D 15 4.283 5.669 37.625 1.00 58.41 C ATOM 1487 C6 DA D 15 3.172 6.041 36.854 1.00 55.23 C ATOM 1488 N6 DA D 15 3.254 6.425 35.583 1.00 61.06 N ATOM 1489 N1 DA D 15 1.957 6.008 37.441 1.00 58.26 N ATOM 1490 C2 DA D 15 1.877 5.630 38.721 1.00 53.29 C ATOM 1491 N3 DA D 15 2.851 5.264 39.552 1.00 56.32 N ATOM 1492 C4 DA D 15 4.045 5.305 38.935 1.00 56.96 C ATOM 1493 P DC D 16 6.074 1.727 44.116 1.00 79.23 P ATOM 1494 OP1 DC D 16 6.196 2.016 45.569 1.00 88.21 O ATOM 1495 OP2 DC D 16 7.148 0.972 43.432 1.00 72.13 O ATOM 1496 O5' DC D 16 4.681 0.994 43.888 1.00 81.98 O ATOM 1497 C5' DC D 16 3.487 1.519 44.472 1.00 86.05 C ATOM 1498 C4' DC D 16 2.267 0.945 43.789 1.00 91.24 C ATOM 1499 O4' DC D 16 2.092 1.555 42.487 1.00 91.11 O ATOM 1500 C3' DC D 16 2.318 -0.568 43.550 1.00 93.25 C ATOM 1501 O3' DC D 16 1.016 -1.137 43.745 1.00 99.33 O ATOM 1502 C2' DC D 16 2.721 -0.667 42.087 1.00 86.40 C ATOM 1503 C1' DC D 16 2.007 0.540 41.501 1.00 85.15 C ATOM 1504 N1 DC D 16 2.550 1.074 40.242 1.00 75.81 N ATOM 1505 C2 DC D 16 1.654 1.617 39.322 1.00 74.19 C ATOM 1506 O2 DC D 16 0.450 1.672 39.631 1.00 68.01 O ATOM 1507 N3 DC D 16 2.114 2.074 38.130 1.00 71.07 N ATOM 1508 C4 DC D 16 3.422 2.026 37.861 1.00 75.90 C ATOM 1509 N4 DC D 16 3.834 2.490 36.675 1.00 74.37 N ATOM 1510 C5 DC D 16 4.365 1.499 38.796 1.00 72.34 C ATOM 1511 C6 DC D 16 3.889 1.039 39.963 1.00 70.65 C ATOM 1512 P DA D 17 0.748 -2.137 44.979 1.00105.83 P ATOM 1513 OP1 DA D 17 1.441 -1.594 46.173 1.00106.45 O ATOM 1514 OP2 DA D 17 1.046 -3.520 44.524 1.00105.54 O ATOM 1515 O5' DA D 17 -0.822 -1.992 45.223 1.00113.99 O ATOM 1516 C5' DA D 17 -1.568 -0.998 44.513 1.00132.13 C ATOM 1517 C4' DA D 17 -2.744 -0.507 45.329 1.00143.51 C ATOM 1518 O4' DA D 17 -3.825 -1.472 45.318 1.00147.01 O ATOM 1519 C3' DA D 17 -2.458 -0.195 46.799 1.00148.83 C ATOM 1520 O3' DA D 17 -3.199 0.964 47.204 1.00152.17 O ATOM 1521 C2' DA D 17 -3.044 -1.396 47.521 1.00151.26 C ATOM 1522 C1' DA D 17 -4.248 -1.718 46.651 1.00148.96 C ATOM 1523 N9 DA D 17 -4.735 -3.097 46.731 1.00147.45 N ATOM 1524 C8 DA D 17 -4.738 -3.931 47.826 1.00145.62 C ATOM 1525 N7 DA D 17 -5.266 -5.107 47.593 1.00145.33 N ATOM 1526 C5 DA D 17 -5.633 -5.049 46.254 1.00146.54 C ATOM 1527 C6 DA D 17 -6.250 -5.982 45.397 1.00146.01 C ATOM 1528 N6 DA D 17 -6.626 -7.205 45.778 1.00149.33 N ATOM 1529 N1 DA D 17 -6.473 -5.608 44.117 1.00141.66 N ATOM 1530 C2 DA D 17 -6.102 -4.382 43.734 1.00139.91 C ATOM 1531 N3 DA D 17 -5.519 -3.417 44.443 1.00143.12 N ATOM 1532 C4 DA D 17 -5.308 -3.819 45.710 1.00146.28 C TER 1533 DA D 17 ATOM 1534 O5' DT E 2 -0.892 3.338 25.669 1.00 89.14 O ATOM 1535 C5' DT E 2 -0.612 2.450 26.734 1.00 85.93 C ATOM 1536 C4' DT E 2 -1.775 2.435 27.694 1.00 88.65 C ATOM 1537 O4' DT E 2 -1.442 1.510 28.758 1.00 82.19 O ATOM 1538 C3' DT E 2 -2.042 3.788 28.358 1.00 91.89 C ATOM 1539 O3' DT E 2 -3.455 4.023 28.516 1.00101.48 O ATOM 1540 C2' DT E 2 -1.332 3.663 29.693 1.00 85.23 C ATOM 1541 C1' DT E 2 -1.423 2.175 30.008 1.00 75.92 C ATOM 1542 N1 DT E 2 -0.262 1.672 30.769 1.00 66.44 N ATOM 1543 C2 DT E 2 -0.469 0.974 31.948 1.00 67.48 C ATOM 1544 O2 DT E 2 -1.575 0.707 32.389 1.00 77.96 O ATOM 1545 N3 DT E 2 0.679 0.600 32.599 1.00 64.86 N ATOM 1546 C4 DT E 2 1.979 0.840 32.202 1.00 68.63 C ATOM 1547 O4 DT E 2 2.911 0.443 32.899 1.00 73.56 O ATOM 1548 C5 DT E 2 2.120 1.568 30.952 1.00 64.63 C ATOM 1549 C7 DT E 2 3.489 1.897 30.442 1.00 60.49 C ATOM 1550 C6 DT E 2 1.007 1.926 30.305 1.00 60.87 C ATOM 1551 P DG E 3 -3.991 5.453 29.067 1.00110.66 P ATOM 1552 OP1 DG E 3 -5.123 5.896 28.213 1.00115.33 O ATOM 1553 OP2 DG E 3 -2.854 6.378 29.306 1.00107.77 O ATOM 1554 O5' DG E 3 -4.601 5.088 30.488 1.00100.53 O ATOM 1555 C5' DG E 3 -5.507 4.003 30.621 1.00 90.44 C ATOM 1556 C4' DG E 3 -5.823 3.775 32.076 1.00 85.62 C ATOM 1557 O4' DG E 3 -4.687 3.171 32.737 1.00 84.72 O ATOM 1558 C3' DG E 3 -6.111 5.074 32.814 1.00 83.38 C ATOM 1559 O3' DG E 3 -7.210 4.899 33.698 1.00 87.84 O ATOM 1560 C2' DG E 3 -4.822 5.364 33.561 1.00 82.66 C ATOM 1561 C1' DG E 3 -4.237 3.983 33.804 1.00 81.84 C ATOM 1562 N9 DG E 3 -2.777 3.961 33.785 1.00 83.87 N ATOM 1563 C8 DG E 3 -1.957 4.387 32.767 1.00 77.66 C ATOM 1564 N7 DG E 3 -0.687 4.269 33.046 1.00 75.99 N ATOM 1565 C5 DG E 3 -0.667 3.725 34.323 1.00 75.52 C ATOM 1566 C6 DG E 3 0.423 3.383 35.147 1.00 70.26 C ATOM 1567 O6 DG E 3 1.627 3.479 34.902 1.00 68.62 O ATOM 1568 N1 DG E 3 -0.001 2.876 36.370 1.00 68.87 N ATOM 1569 C2 DG E 3 -1.314 2.711 36.744 1.00 72.84 C ATOM 1570 N2 DG E 3 -1.527 2.200 37.963 1.00 74.34 N ATOM 1571 N3 DG E 3 -2.342 3.023 35.979 1.00 70.99 N ATOM 1572 C4 DG E 3 -1.948 3.523 34.791 1.00 77.29 C ATOM 1573 P DT E 4 -7.865 6.180 34.392 1.00 88.96 P ATOM 1574 OP1 DT E 4 -9.200 5.777 34.899 1.00 89.10 O ATOM 1575 OP2 DT E 4 -7.743 7.329 33.457 1.00 89.27 O ATOM 1576 O5' DT E 4 -6.905 6.434 35.633 1.00 94.15 O ATOM 1577 C5' DT E 4 -6.780 5.449 36.649 1.00 92.87 C ATOM 1578 C4' DT E 4 -5.903 5.965 37.763 1.00 92.65 C ATOM 1579 O4' DT E 4 -4.499 5.762 37.468 1.00 86.88 O ATOM 1580 C3' DT E 4 -6.076 7.459 38.018 1.00 91.60 C ATOM 1581 O3' DT E 4 -6.085 7.697 39.419 1.00 96.54 O ATOM 1582 C2' DT E 4 -4.829 8.061 37.401 1.00 89.21 C ATOM 1583 C1' DT E 4 -3.809 6.976 37.687 1.00 80.47 C ATOM 1584 N1 DT E 4 -2.619 6.989 36.820 1.00 75.58 N ATOM 1585 C2 DT E 4 -1.426 6.530 37.342 1.00 74.60 C ATOM 1586 O2 DT E 4 -1.323 6.063 38.467 1.00 73.14 O ATOM 1587 N3 DT E 4 -0.352 6.633 36.492 1.00 62.06 N ATOM 1588 C4 DT E 4 -0.354 7.130 35.203 1.00 67.07 C ATOM 1589 O4 DT E 4 0.698 7.202 34.576 1.00 66.65 O ATOM 1590 C5 DT E 4 -1.647 7.551 34.704 1.00 68.69 C ATOM 1591 C7 DT E 4 -1.757 8.058 33.299 1.00 73.21 C ATOM 1592 C6 DT E 4 -2.698 7.463 35.529 1.00 69.95 C ATOM 1593 P DC E 5 -7.060 8.813 40.020 1.00101.70 P ATOM 1594 OP1 DC E 5 -8.478 8.456 39.745 1.00 93.00 O ATOM 1595 OP2 DC E 5 -6.526 10.118 39.561 1.00103.96 O ATOM 1596 O5' DC E 5 -6.797 8.711 41.579 1.00105.66 O ATOM 1597 C5' DC E 5 -6.136 7.579 42.128 1.00108.41 C ATOM 1598 C4' DC E 5 -4.856 8.012 42.803 1.00110.85 C ATOM 1599 O4' DC E 5 -3.711 7.896 41.918 1.00105.63 O ATOM 1600 C3' DC E 5 -4.873 9.460 43.297 1.00111.63 C ATOM 1601 O3' DC E 5 -4.379 9.523 44.633 1.00121.43 O ATOM 1602 C2' DC E 5 -3.924 10.171 42.345 1.00104.47 C ATOM 1603 C1' DC E 5 -2.929 9.070 42.037 1.00 98.93 C ATOM 1604 N1 DC E 5 -2.137 9.241 40.803 1.00 89.27 N ATOM 1605 C2 DC E 5 -0.766 8.936 40.844 1.00 85.01 C ATOM 1606 O2 DC E 5 -0.282 8.512 41.900 1.00 86.80 O ATOM 1607 N3 DC E 5 -0.008 9.108 39.736 1.00 73.11 N ATOM 1608 C4 DC E 5 -0.571 9.556 38.612 1.00 80.57 C ATOM 1609 N4 DC E 5 0.218 9.704 37.535 1.00 67.94 N ATOM 1610 C5 DC E 5 -1.969 9.869 38.537 1.00 79.75 C ATOM 1611 C6 DC E 5 -2.706 9.695 39.647 1.00 84.23 C ATOM 1612 P DA E 6 -4.174 10.949 45.341 1.00126.05 P ATOM 1613 OP1 DA E 6 -4.579 10.797 46.762 1.00124.90 O ATOM 1614 OP2 DA E 6 -4.807 12.001 44.501 1.00122.55 O ATOM 1615 O5' DA E 6 -2.597 11.141 45.283 1.00116.29 O ATOM 1616 C5' DA E 6 -1.744 10.098 45.728 1.00106.51 C ATOM 1617 C4' DA E 6 -0.318 10.580 45.754 1.00104.15 C ATOM 1618 O4' DA E 6 0.192 10.641 44.404 1.00102.91 O ATOM 1619 C3' DA E 6 -0.171 11.985 46.333 1.00108.70 C ATOM 1620 O3' DA E 6 0.995 12.054 47.151 1.00121.24 O ATOM 1621 C2' DA E 6 -0.010 12.858 45.102 1.00104.72 C ATOM 1622 C1' DA E 6 0.725 11.928 44.155 1.00 98.46 C ATOM 1623 N9 DA E 6 0.536 12.230 42.736 1.00 86.35 N ATOM 1624 C8 DA E 6 -0.637 12.542 42.088 1.00 77.20 C ATOM 1625 N7 DA E 6 -0.485 12.789 40.809 1.00 76.79 N ATOM 1626 C5 DA E 6 0.880 12.620 40.597 1.00 75.56 C ATOM 1627 C6 DA E 6 1.680 12.741 39.443 1.00 72.83 C ATOM 1628 N6 DA E 6 1.189 13.063 38.244 1.00 64.75 N ATOM 1629 N1 DA E 6 3.012 12.517 39.567 1.00 61.58 N ATOM 1630 C2 DA E 6 3.490 12.191 40.775 1.00 69.94 C ATOM 1631 N3 DA E 6 2.836 12.040 41.934 1.00 69.70 N ATOM 1632 C4 DA E 6 1.520 12.273 41.774 1.00 75.78 C ATOM 1633 P DG E 7 1.076 13.148 48.324 1.00125.83 P ATOM 1634 OP1 DG E 7 1.654 12.486 49.529 1.00126.79 O ATOM 1635 OP2 DG E 7 -0.242 13.835 48.413 1.00117.77 O ATOM 1636 O5' DG E 7 2.127 14.206 47.775 1.00122.22 O ATOM 1637 C5' DG E 7 3.503 13.866 47.646 1.00119.63 C ATOM 1638 C4' DG E 7 4.241 14.993 46.967 1.00114.94 C ATOM 1639 O4' DG E 7 3.887 15.031 45.559 1.00111.73 O ATOM 1640 C3' DG E 7 3.872 16.364 47.536 1.00114.49 C ATOM 1641 O3' DG E 7 5.032 17.200 47.581 1.00116.13 O ATOM 1642 C2' DG E 7 2.851 16.889 46.540 1.00110.48 C ATOM 1643 C1' DG E 7 3.391 16.322 45.238 1.00106.72 C ATOM 1644 N9 DG E 7 2.439 16.202 44.135 1.00 94.07 N ATOM 1645 C8 DG E 7 1.063 16.168 44.202 1.00 90.54 C ATOM 1646 N7 DG E 7 0.491 16.095 43.027 1.00 78.73 N ATOM 1647 C5 DG E 7 1.554 16.068 42.131 1.00 75.21 C ATOM 1648 C6 DG E 7 1.564 15.986 40.707 1.00 68.75 C ATOM 1649 O6 DG E 7 0.599 15.902 39.929 1.00 60.65 O ATOM 1650 N1 DG E 7 2.864 15.996 40.203 1.00 57.90 N ATOM 1651 C2 DG E 7 4.010 16.056 40.969 1.00 70.20 C ATOM 1652 N2 DG E 7 5.185 16.041 40.310 1.00 61.55 N ATOM 1653 N3 DG E 7 4.011 16.122 42.289 1.00 74.50 N ATOM 1654 C4 DG E 7 2.761 16.126 42.798 1.00 82.96 C ATOM 1655 P DT E 8 4.948 18.650 48.269 1.00118.20 P ATOM 1656 OP1 DT E 8 5.995 18.689 49.326 1.00125.12 O ATOM 1657 OP2 DT E 8 3.535 18.954 48.624 1.00116.73 O ATOM 1658 O5' DT E 8 5.376 19.619 47.084 1.00112.93 O ATOM 1659 C5' DT E 8 4.934 19.348 45.757 1.00112.26 C ATOM 1660 C4' DT E 8 6.061 19.538 44.770 1.00106.67 C ATOM 1661 O4' DT E 8 5.639 18.987 43.498 1.00101.34 O ATOM 1662 C3' DT E 8 6.402 21.003 44.508 1.00104.90 C ATOM 1663 O3' DT E 8 7.808 21.175 44.269 1.00104.44 O ATOM 1664 C2' DT E 8 5.563 21.338 43.287 1.00100.64 C ATOM 1665 C1' DT E 8 5.460 20.014 42.530 1.00 98.15 C ATOM 1666 N1 DT E 8 4.139 19.800 41.888 1.00 91.01 N ATOM 1667 C2 DT E 8 4.046 19.680 40.502 1.00 89.22 C ATOM 1668 O2 DT E 8 5.007 19.708 39.750 1.00 89.70 O ATOM 1669 N3 DT E 8 2.768 19.520 40.026 1.00 81.75 N ATOM 1670 C4 DT E 8 1.605 19.451 40.771 1.00 85.42 C ATOM 1671 O4 DT E 8 0.527 19.310 40.204 1.00 81.45 O ATOM 1672 C5 DT E 8 1.777 19.563 42.209 1.00 81.48 C ATOM 1673 C7 DT E 8 0.571 19.487 43.091 1.00 79.65 C ATOM 1674 C6 DT E 8 3.015 19.728 42.685 1.00 83.08 C ATOM 1675 P DA E 9 8.435 22.661 44.215 1.00104.23 P ATOM 1676 OP1 DA E 9 9.884 22.579 44.539 1.00 96.94 O ATOM 1677 OP2 DA E 9 7.556 23.561 45.007 1.00 92.20 O ATOM 1678 O5' DA E 9 8.306 23.065 42.680 1.00102.96 O ATOM 1679 C5' DA E 9 9.075 22.385 41.686 1.00 98.19 C ATOM 1680 C4' DA E 9 8.740 22.908 40.309 1.00 93.19 C ATOM 1681 O4' DA E 9 7.368 22.568 39.998 1.00 91.81 O ATOM 1682 C3' DA E 9 8.848 24.424 40.142 1.00 90.30 C ATOM 1683 O3' DA E 9 9.335 24.743 38.832 1.00 87.81 O ATOM 1684 C2' DA E 9 7.411 24.890 40.294 1.00 82.40 C ATOM 1685 C1' DA E 9 6.635 23.736 39.683 1.00 82.27 C ATOM 1686 N9 DA E 9 5.278 23.559 40.195 1.00 75.75 N ATOM 1687 C8 DA E 9 4.850 23.665 41.493 1.00 78.94 C ATOM 1688 N7 DA E 9 3.562 23.466 41.648 1.00 73.36 N ATOM 1689 C5 DA E 9 3.110 23.210 40.366 1.00 71.72 C ATOM 1690 C6 DA E 9 1.831 22.932 39.862 1.00 70.42 C ATOM 1691 N6 DA E 9 0.744 22.859 40.633 1.00 57.54 N ATOM 1692 N1 DA E 9 1.706 22.731 38.526 1.00 65.40 N ATOM 1693 C2 DA E 9 2.815 22.803 37.764 1.00 73.51 C ATOM 1694 N3 DA E 9 4.081 23.057 38.129 1.00 66.14 N ATOM 1695 C4 DA E 9 4.157 23.256 39.457 1.00 71.85 C TER 1696 DA E 9 HETATM 1697 S CXS A 101 6.946 -30.516 5.352 1.00100.56 S HETATM 1698 O1 CXS A 101 8.069 -31.401 4.975 1.00105.91 O HETATM 1699 O2 CXS A 101 6.562 -29.644 4.262 1.00 76.59 O HETATM 1700 O3 CXS A 101 7.260 -29.773 6.565 1.00 95.41 O HETATM 1701 C1 CXS A 101 5.443 -31.478 5.818 1.00108.06 C HETATM 1702 C2 CXS A 101 4.843 -32.277 4.657 1.00113.05 C HETATM 1703 C3 CXS A 101 3.379 -32.638 4.903 1.00115.17 C HETATM 1704 N CXS A 101 2.968 -33.915 4.262 1.00116.14 N HETATM 1705 C4 CXS A 101 3.757 -35.166 4.346 1.00119.15 C HETATM 1706 C5 CXS A 101 3.066 -36.329 3.544 1.00119.92 C HETATM 1707 C6 CXS A 101 3.908 -37.675 3.619 1.00120.68 C HETATM 1708 C7 CXS A 101 4.267 -38.110 5.029 1.00121.44 C HETATM 1709 C8 CXS A 101 4.814 -36.977 5.934 1.00119.49 C HETATM 1710 C9 CXS A 101 3.960 -35.648 5.846 1.00119.27 C HETATM 1711 O HOH B 101 -1.082 16.597 32.051 1.00 77.73 O HETATM 1712 O HOH B 102 5.577 23.907 14.184 1.00 79.42 O HETATM 1713 O HOH B 103 9.135 20.756 19.495 1.00 91.71 O HETATM 1714 O HOH B 104 9.124 29.570 20.989 1.00 92.11 O HETATM 1715 O HOH B 105 2.702 34.722 9.332 1.00 97.38 O HETATM 1716 O HOH B 106 4.925 27.131 27.966 1.00 73.51 O HETATM 1717 O HOH B 107 -6.148 17.146 13.408 1.00 84.27 O HETATM 1718 O HOH B 108 -5.852 -4.619 14.730 1.00 78.93 O HETATM 1719 O HOH B 109 13.843 23.700 34.924 1.00 79.09 O HETATM 1720 O HOH B 110 -7.351 9.731 13.651 1.00 81.91 O HETATM 1721 O HOH B 111 -1.855 20.311 12.851 1.00 85.77 O HETATM 1722 O HOH B 112 7.172 13.129 8.668 1.00 92.09 O HETATM 1723 O HOH B 113 15.205 21.723 23.965 1.00 80.87 O HETATM 1724 O HOH B 114 12.962 21.658 1.817 1.00 86.28 O HETATM 1725 O HOH A 201 -0.948 -34.012 2.864 1.00 69.32 O HETATM 1726 O HOH A 202 14.349 -19.375 -5.280 1.00 53.79 O HETATM 1727 O HOH A 203 15.753 -25.452 15.143 1.00 71.71 O HETATM 1728 O HOH A 204 13.561 -31.903 5.310 1.00 59.64 O HETATM 1729 O HOH A 205 -2.127 -21.645 3.749 1.00 87.60 O HETATM 1730 O HOH A 206 7.474 -10.066 21.385 1.00 75.27 O HETATM 1731 O HOH A 207 9.698 -29.758 3.051 1.00 56.27 O HETATM 1732 O HOH A 208 -1.338 -9.541 13.669 1.00 83.63 O HETATM 1733 O HOH A 209 7.054 -16.625 16.681 1.00 74.20 O HETATM 1734 O HOH A 210 23.371 -17.851 16.171 1.00 87.21 O HETATM 1735 O HOH A 211 4.539 -20.248 -5.176 1.00 76.40 O HETATM 1736 O HOH A 212 16.822 -19.394 19.484 1.00 84.06 O HETATM 1737 O HOH A 213 -2.616 -19.432 13.282 1.00 92.14 O HETATM 1738 O HOH A 214 0.434 -30.605 -6.675 1.00 85.67 O HETATM 1739 O HOH A 215 6.282 -15.041 -9.159 1.00 72.28 O HETATM 1740 O HOH A 216 16.512 -9.938 -17.343 1.00 80.58 O HETATM 1741 O HOH A 217 8.434 -27.946 15.381 1.00 77.69 O HETATM 1742 O HOH A 218 -4.867 -16.172 9.455 1.00 88.17 O HETATM 1743 O HOH A 219 12.123 -12.417 -5.039 1.00 70.57 O HETATM 1744 O HOH A 220 1.778 -25.092 -4.696 1.00 64.32 O HETATM 1745 O HOH A 221 6.768 -27.939 -7.757 1.00 84.25 O HETATM 1746 O HOH A 222 0.473 -4.781 11.302 1.00 81.06 O HETATM 1747 O HOH A 223 8.034 -26.723 17.739 1.00 87.22 O HETATM 1748 O HOH A 224 17.038 -8.935 -3.466 1.00 78.55 O HETATM 1749 O HOH D 101 -0.970 25.525 29.150 1.00122.23 O HETATM 1750 O HOH D 102 -0.723 4.369 42.384 1.00 79.08 O HETATM 1751 O HOH D 103 9.785 19.769 36.445 1.00 72.33 O HETATM 1752 O HOH D 104 -3.604 26.581 28.791 1.00 84.43 O HETATM 1753 O HOH D 105 7.948 12.550 42.843 1.00 92.62 O HETATM 1754 O HOH D 106 13.343 11.734 31.799 1.00 81.58 O HETATM 1755 O HOH E 101 4.205 11.627 49.660 1.00 71.13 O HETATM 1756 O HOH E 102 5.269 1.481 33.144 1.00 83.59 O HETATM 1757 O HOH E 103 -6.059 6.239 45.740 1.00 91.85 O HETATM 1758 O HOH E 104 -1.767 15.491 40.312 1.00 83.71 O HETATM 1759 O HOH E 105 -4.712 -0.820 28.166 1.00 83.85 O HETATM 1760 O HOH E 106 -7.660 7.856 29.374 1.00 86.04 O CONECT 1697 1698 1699 1700 1701 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1697 CONECT 1701 1697 1702 CONECT 1702 1701 1703 CONECT 1703 1702 1704 CONECT 1704 1703 1705 CONECT 1705 1704 1706 1710 CONECT 1706 1705 1707 CONECT 1707 1706 1708 CONECT 1708 1707 1709 CONECT 1709 1708 1710 CONECT 1710 1705 1709 MASTER 305 0 1 10 6 0 2 6 1756 4 14 16 END
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Related entries of code: 4r4e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1wb9
RCSB PDB
PDBbind
17-mer
1wbb
RCSB PDB
PDBbind
17-mer
3mq6
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
4r4e
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
HTH-type transcriptional regulator GlnR
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.57(Å)
Affinity (Kd/Ki/IC50)
Kd=8.1nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Genes Dev. Vol. 29: pp. 451-464
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P37582
Entrez Gene ID
NCBI Entrez Gene ID:
940070
ASD
Information of known allosteric effects of PDB entries
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