Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION REGULATOR 13-MAY-10 3N00 TITLE CRYSTAL STRUCTURE OF A DELETION MUTANT OF HUMAN REVERBA LIGAND BINDING TITLE 2 DOMAIN BOUND WITH AN NCOR ID1 PEPTIDE DETERMINED TO 2.60A COMPND MOL_ID: 1; COMPND 2 MOLECULE: REV-ERBA-ALPHA; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: NUCLEAR RECEPTOR SUBFAMILY 1 GROUP D MEMBER 1, V-ERBA- COMPND 5 RELATED PROTEIN 1, EAR-1; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: NUCLEAR RECEPTOR COREPRESSOR 1; COMPND 9 CHAIN: B; COMPND 10 FRAGMENT: CORNR BOX 2 RESIDUES 2045-2065; COMPND 11 SYNONYM: N-COR1, N-COR; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: NR1D1, EAR1, HREV, THRAL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PET24; SOURCE 10 MOL_ID: 2; SOURCE 11 SYNTHETIC: YES; SOURCE 12 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 13 ORGANISM_COMMON: HUMAN; SOURCE 14 ORGANISM_TAXID: 9606 KEYWDS REVERBA NCORID1, ANTI-PARALLEL B-SHEET, TRANSCRIPTION REGULATOR EXPDTA X-RAY DIFFRACTION AUTHOR R.GAMPE,R.NOLTE REVDAT 3 16-AUG-17 3N00 1 SOURCE REMARK REVDAT 2 21-JUL-10 3N00 1 JRNL REVDAT 1 30-JUN-10 3N00 0 JRNL AUTH C.A.PHELAN,R.T.GAMPE,M.H.LAMBERT,D.J.PARKS,V.MONTANA, JRNL AUTH 2 J.BYNUM,T.M.BRODERICK,X.HU,S.P.WILLIAMS,R.T.NOLTE,M.A.LAZAR JRNL TITL STRUCTURE OF REV-ERBALPHA BOUND TO N-COR REVEALS A UNIQUE JRNL TITL 2 MECHANISM OF NUCLEAR RECEPTOR-CO-REPRESSOR INTERACTION. JRNL REF NAT.STRUCT.MOL.BIOL. V. 17 808 2010 JRNL REFN ISSN 1545-9993 JRNL PMID 20581824 JRNL DOI 10.1038/NSMB.1860 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 6.0.2 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.04 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 7693 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.200 REMARK 3 R VALUE (WORKING SET) : 0.199 REMARK 3 FREE R VALUE : 0.266 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 2.800 REMARK 3 FREE R VALUE TEST SET COUNT : 225 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.67 REMARK 3 REFLECTION IN BIN (WORKING SET) : 554 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 98.79 REMARK 3 BIN R VALUE (WORKING SET) : 0.2640 REMARK 3 BIN FREE R VALUE SET COUNT : 16 REMARK 3 BIN FREE R VALUE : 0.2620 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1549 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 62 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 32.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 39.15 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.01000 REMARK 3 B22 (A**2) : -0.01000 REMARK 3 B33 (A**2) : 0.01000 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 OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.320 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.206 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.170 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.948 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.918 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1570 ; 0.010 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): 1055 ; 0.001 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2116 ; 1.126 ; 1.967 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2564 ; 0.837 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 201 ; 5.433 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 63 ;28.156 ;23.175 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 274 ;15.115 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;22.934 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 255 ; 0.055 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1730 ; 0.003 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 318 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1012 ; 0.604 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 417 ; 0.067 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1610 ; 1.184 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 558 ; 1.591 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 506 ; 2.900 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3N00 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-MAY-10. REMARK 100 THE DEPOSITION ID IS D_1000059207. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 17-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MAR CCD 165 MM REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7921 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.600 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 10.90 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : NULL REMARK 200
FOR THE DATA SET : 50.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.69 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 REMARK 200 DATA REDUNDANCY IN SHELL : 9.80 REMARK 200 R MERGE FOR SHELL (I) : 0.29600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200
FOR SHELL : 7.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: 1DB1 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.53 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 1UL OF PRECIPITANT COMPOSED OF 6-9% OF REMARK 280 PEG 3350, 8% GLYCEROL, 200MM PROLINE, 80MM HEPES WAS MIXED WITH REMARK 280 1UL OF THE REV-ERBA NCOR COMPLEX AT 5-6 MG/LIT TO OBTAIN REMARK 280 DIFFRACTION GRADE CRYSTALS, PH 7.5, VAPOR DIFFUSION, TEMPERATURE REMARK 280 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z REMARK 290 6555 -X,-X+Y,-Z REMARK 290 7555 X+2/3,Y+1/3,Z+1/3 REMARK 290 8555 -Y+2/3,X-Y+1/3,Z+1/3 REMARK 290 9555 -X+Y+2/3,-X+1/3,Z+1/3 REMARK 290 10555 Y+2/3,X+1/3,-Z+1/3 REMARK 290 11555 X-Y+2/3,-Y+1/3,-Z+1/3 REMARK 290 12555 -X+2/3,-X+Y+1/3,-Z+1/3 REMARK 290 13555 X+1/3,Y+2/3,Z+2/3 REMARK 290 14555 -Y+1/3,X-Y+2/3,Z+2/3 REMARK 290 15555 -X+Y+1/3,-X+2/3,Z+2/3 REMARK 290 16555 Y+1/3,X+2/3,-Z+2/3 REMARK 290 17555 X-Y+1/3,-Y+2/3,-Z+2/3 REMARK 290 18555 -X+1/3,-X+Y+2/3,-Z+2/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 56.27500 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 32.49039 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 34.61100 REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 56.27500 REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 32.49039 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 34.61100 REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 56.27500 REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 32.49039 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 34.61100 REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 56.27500 REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 32.49039 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 34.61100 REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 56.27500 REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 32.49039 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 34.61100 REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 56.27500 REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 32.49039 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 34.61100 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 64.98077 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 69.22200 REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 64.98077 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 69.22200 REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 64.98077 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 69.22200 REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 64.98077 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 69.22200 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 64.98077 REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 69.22200 REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 64.98077 REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 69.22200 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5470 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 18680 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -48.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 194.94232 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 103.83300 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2040 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10030 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 MET A 271 REMARK 465 LYS A 272 REMARK 465 LYS A 273 REMARK 465 HIS A 274 REMARK 465 HIS A 275 REMARK 465 HIS A 276 REMARK 465 HIS A 277 REMARK 465 HIS A 278 REMARK 465 HIS A 279 REMARK 465 GLY A 280 REMARK 465 PRO A 281 REMARK 465 GLU A 282 REMARK 465 THR A 400 REMARK 465 TYR A 401 REMARK 465 ALA A 402 REMARK 465 HIS A 403 REMARK 465 ASP A 404 REMARK 465 LYS A 405 REMARK 465 LEU A 406 REMARK 465 GLY A 407 REMARK 465 SER A 408 REMARK 465 SER A 409 REMARK 465 PRO A 410 REMARK 465 GLY A 411 REMARK 465 ASN A 412 REMARK 465 PHE A 413 REMARK 465 ASN A 414 REMARK 465 ALA A 415 REMARK 465 ASN A 416 REMARK 465 HIS A 417 REMARK 465 ALA A 418 REMARK 465 SER A 419 REMARK 465 GLY A 420 REMARK 465 SER A 421 REMARK 465 PRO A 422 REMARK 465 TYR A 423 REMARK 465 PRO A 424 REMARK 465 HIS A 425 REMARK 465 GLY A 426 REMARK 465 ARG A 427 REMARK 465 SER A 428 REMARK 465 GLY A 429 REMARK 465 ARG A 430 REMARK 465 THR A 431 REMARK 465 GLN A 493 REMARK 465 THR A 494 REMARK 465 VAL A 495 REMARK 465 MET A 496 REMARK 465 PHE A 497 REMARK 465 LEU A 498 REMARK 465 SER A 499 REMARK 465 ARG A 500 REMARK 465 THR A 501 REMARK 465 THR A 502 REMARK 465 TYR A 503 REMARK 465 SER A 504 REMARK 465 LEU A 505 REMARK 465 GLN A 506 REMARK 465 ASP A 612 REMARK 465 ALA A 613 REMARK 465 GLN A 614 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 GLU A 286 CG CD OE1 OE2 REMARK 470 ARG A 294 CZ NH1 NH2 REMARK 470 GLU A 434 CG CD OE1 OE2 REMARK 470 ILE A 435 CG2 CD1 REMARK 470 ASP A 438 CB CG OD1 OD2 REMARK 470 SER A 442 OG REMARK 470 PHE A 484 CD1 CD2 CE1 CE2 CZ REMARK 470 ALA A 485 CB REMARK 470 LEU A 487 CG CD1 CD2 REMARK 470 PHE A 488 CG CD1 CD2 CE1 CE2 CZ REMARK 470 ASN A 489 CB CG OD1 ND2 REMARK 470 VAL A 490 CB CG1 CG2 REMARK 470 LYS A 491 CB CG CD CE NZ REMARK 470 ASP A 492 CB CG OD1 OD2 REMARK 470 GLU A 507 CB CG CD OE1 OE2 REMARK 470 MET A 513 CG SD CE REMARK 470 LEU A 517 CG CD1 CD2 REMARK 470 SER A 518 CB OG REMARK 470 PHE A 521 CE1 CE2 CZ REMARK 470 ASP A 522 OD1 OD2 REMARK 470 GLU A 525 CG CD OE1 OE2 REMARK 470 GLU A 564 CG CD OE1 OE2 REMARK 470 LYS A 576 NZ REMARK 470 ARG A 610 CZ NH1 NH2 REMARK 470 GLN B2061 CG CD OE1 NE2 REMARK 470 ARG B2065 O 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 LEU A 487 24.81 -75.07 REMARK 500 PHE A 488 -128.97 -94.00 REMARK 500 ASN A 489 -151.69 -171.08 REMARK 500 LYS A 491 -73.86 -67.98 REMARK 500 LEU A 516 -72.79 -73.10 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 VAL A 432 GLN A 433 149.73 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2VOV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A DELETION MUTANT OF APO HUMAN REVERBB LIGAND REMARK 900 BINDING DOMAIN DETERMINED TO 2.40A REMARK 900 RELATED ID: 3CQV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HEME BOUND HUMAN REVERBB LIGAND BINDING DOMAIN REMARK 900 BOUND DETERMINED TO 1.90A REMARK 999 REMARK 999 SEQUENCE REMARK 999 RESIDUES 324-422 WERE DELETED IN THIS CONSTRUCT. DBREF 3N00 A 281 422 UNP P20393 NR1D1_HUMAN 281 323 DBREF 3N00 A 423 614 UNP P20393 NR1D1_HUMAN 423 614 DBREF 3N00 B 2045 2065 UNP O75376 NCOR1_HUMAN 2045 2065 SEQADV 3N00 MET A 271 UNP P20393 EXPRESSION TAG SEQADV 3N00 LYS A 272 UNP P20393 EXPRESSION TAG SEQADV 3N00 LYS A 273 UNP P20393 EXPRESSION TAG SEQADV 3N00 HIS A 274 UNP P20393 EXPRESSION TAG SEQADV 3N00 HIS A 275 UNP P20393 EXPRESSION TAG SEQADV 3N00 HIS A 276 UNP P20393 EXPRESSION TAG SEQADV 3N00 HIS A 277 UNP P20393 EXPRESSION TAG SEQADV 3N00 HIS A 278 UNP P20393 EXPRESSION TAG SEQADV 3N00 HIS A 279 UNP P20393 EXPRESSION TAG SEQADV 3N00 GLY A 280 UNP P20393 EXPRESSION TAG SEQRES 1 A 245 MET LYS LYS HIS HIS HIS HIS HIS HIS GLY PRO GLU PRO SEQRES 2 A 245 THR VAL GLU ASP VAL ILE SER GLN VAL ALA ARG ALA HIS SEQRES 3 A 245 ARG GLU ILE PHE THR TYR ALA HIS ASP LYS LEU GLY SER SEQRES 4 A 245 SER PRO GLY ASN PHE ASN ALA ASN HIS ALA SER GLY SER SEQRES 5 A 245 PRO TYR PRO HIS GLY ARG SER GLY ARG THR VAL GLN GLU SEQRES 6 A 245 ILE TRP GLU ASP PHE SER MET SER PHE THR PRO ALA VAL SEQRES 7 A 245 ARG GLU VAL VAL GLU PHE ALA LYS HIS ILE PRO GLY PHE SEQRES 8 A 245 ARG ASP LEU SER GLN HIS ASP GLN VAL THR LEU LEU LYS SEQRES 9 A 245 ALA GLY THR PHE GLU VAL LEU MET VAL ARG PHE ALA SER SEQRES 10 A 245 LEU PHE ASN VAL LYS ASP GLN THR VAL MET PHE LEU SER SEQRES 11 A 245 ARG THR THR TYR SER LEU GLN GLU LEU GLY ALA MET GLY SEQRES 12 A 245 MET GLY ASP LEU LEU SER ALA MET PHE ASP PHE SER GLU SEQRES 13 A 245 LYS LEU ASN SER LEU ALA LEU THR GLU GLU GLU LEU GLY SEQRES 14 A 245 LEU PHE THR ALA VAL VAL LEU VAL SER ALA ASP ARG SER SEQRES 15 A 245 GLY MET GLU ASN SER ALA SER VAL GLU GLN LEU GLN GLU SEQRES 16 A 245 THR LEU LEU ARG ALA LEU ARG ALA LEU VAL LEU LYS ASN SEQRES 17 A 245 ARG PRO LEU GLU THR SER ARG PHE THR LYS LEU LEU LEU SEQRES 18 A 245 LYS LEU PRO ASP LEU ARG THR LEU ASN ASN MET HIS SER SEQRES 19 A 245 GLU LYS LEU LEU SER PHE ARG VAL ASP ALA GLN SEQRES 1 B 21 THR HIS ARG LEU ILE THR LEU ALA ASP HIS ILE CYS GLN SEQRES 2 B 21 ILE ILE THR GLN ASP PHE ALA ARG FORMUL 3 HOH *62(H2 O) HELIX 1 1 THR A 284 PHE A 300 1 17 HELIX 2 2 GLN A 433 ILE A 457 1 25 HELIX 3 3 GLY A 459 LEU A 463 5 5 HELIX 4 4 SER A 464 LEU A 487 1 24 HELIX 5 5 LEU A 508 GLY A 512 5 5 HELIX 6 6 MET A 513 LEU A 530 1 18 HELIX 7 7 THR A 533 SER A 547 1 15 HELIX 8 8 ASN A 555 ARG A 578 1 24 HELIX 9 9 SER A 583 LEU A 590 1 8 HELIX 10 10 LEU A 590 SER A 603 1 14 HELIX 11 11 LEU B 2051 ARG B 2065 1 15 SHEET 1 A 2 LEU A 606 ARG A 610 0 SHEET 2 A 2 HIS B2046 THR B2050 -1 O ILE B2049 N LEU A 607 CRYST1 112.550 112.550 103.833 90.00 90.00 120.00 H 3 2 18 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 0.008885 0.005130 0.000000 0.00000 SCALE2 0.000000 0.010259 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009631 0.00000 ATOM 1 N PRO A 283 -20.157 54.411 36.291 1.00 57.41 N ATOM 2 CA PRO A 283 -20.483 53.239 37.100 1.00 57.06 C ATOM 3 C PRO A 283 -21.979 53.184 37.401 1.00 56.35 C ATOM 4 O PRO A 283 -22.759 53.950 36.811 1.00 56.35 O ATOM 5 CB PRO A 283 -19.689 53.492 38.384 1.00 57.35 C ATOM 6 CG PRO A 283 -19.759 55.007 38.549 1.00 57.78 C ATOM 7 CD PRO A 283 -19.942 55.602 37.139 1.00 57.55 C ATOM 8 N THR A 284 -22.369 52.308 38.322 1.00 55.36 N ATOM 9 CA THR A 284 -23.785 52.073 38.583 1.00 54.75 C ATOM 10 C THR A 284 -24.391 53.255 39.319 1.00 53.88 C ATOM 11 O THR A 284 -23.712 53.917 40.090 1.00 54.18 O ATOM 12 CB THR A 284 -23.997 50.797 39.407 1.00 54.80 C ATOM 13 OG1 THR A 284 -23.656 51.040 40.776 1.00 54.85 O ATOM 14 CG2 THR A 284 -23.136 49.660 38.853 1.00 55.21 C ATOM 15 N VAL A 285 -25.671 53.516 39.084 1.00 52.87 N ATOM 16 CA VAL A 285 -26.381 54.589 39.782 1.00 51.88 C ATOM 17 C VAL A 285 -26.213 54.531 41.315 1.00 51.70 C ATOM 18 O VAL A 285 -26.083 55.575 41.966 1.00 52.06 O ATOM 19 CB VAL A 285 -27.866 54.575 39.426 1.00 51.52 C ATOM 20 CG1 VAL A 285 -28.637 55.514 40.315 1.00 51.51 C ATOM 21 CG2 VAL A 285 -28.047 54.950 37.977 1.00 51.01 C ATOM 22 N GLU A 286 -26.181 53.322 41.880 1.00 51.18 N ATOM 23 CA GLU A 286 -26.053 53.129 43.330 1.00 50.52 C ATOM 24 C GLU A 286 -24.666 53.514 43.851 1.00 49.98 C ATOM 25 O GLU A 286 -24.556 54.163 44.889 1.00 49.48 O ATOM 26 CB GLU A 286 -26.378 51.678 43.706 1.00 50.62 C ATOM 27 N ASP A 287 -23.622 53.112 43.128 1.00 49.62 N ATOM 28 CA ASP A 287 -22.236 53.508 43.437 1.00 49.70 C ATOM 29 C ASP A 287 -22.053 55.020 43.505 1.00 48.69 C ATOM 30 O ASP A 287 -21.488 55.538 44.468 1.00 48.65 O ATOM 31 CB ASP A 287 -21.278 52.999 42.359 1.00 50.27 C ATOM 32 CG ASP A 287 -21.143 51.497 42.354 1.00 52.93 C ATOM 33 OD1 ASP A 287 -20.964 50.931 43.454 1.00 56.28 O ATOM 34 OD2 ASP A 287 -21.211 50.889 41.249 1.00 56.99 O ATOM 35 N VAL A 288 -22.515 55.701 42.454 1.00 47.57 N ATOM 36 CA VAL A 288 -22.444 57.153 42.350 1.00 46.72 C ATOM 37 C VAL A 288 -23.139 57.814 43.538 1.00 46.20 C ATOM 38 O VAL A 288 -22.523 58.624 44.232 1.00 45.69 O ATOM 39 CB VAL A 288 -23.085 57.660 41.027 1.00 46.94 C ATOM 40 CG1 VAL A 288 -23.247 59.185 41.040 1.00 46.28 C ATOM 41 CG2 VAL A 288 -22.266 57.207 39.821 1.00 45.91 C ATOM 42 N ILE A 289 -24.405 57.460 43.775 1.00 45.49 N ATOM 43 CA ILE A 289 -25.146 57.997 44.919 1.00 45.44 C ATOM 44 C ILE A 289 -24.380 57.771 46.222 1.00 45.67 C ATOM 45 O ILE A 289 -24.216 58.686 47.036 1.00 45.48 O ATOM 46 CB ILE A 289 -26.539 57.345 45.102 1.00 45.34 C ATOM 47 CG1 ILE A 289 -27.476 57.649 43.936 1.00 45.62 C ATOM 48 CG2 ILE A 289 -27.204 57.872 46.371 1.00 45.32 C ATOM 49 CD1 ILE A 289 -28.795 56.896 44.015 1.00 44.26 C ATOM 50 N SER A 290 -23.935 56.533 46.416 1.00 46.05 N ATOM 51 CA SER A 290 -23.225 56.133 47.627 1.00 46.42 C ATOM 52 C SER A 290 -21.935 56.931 47.766 1.00 46.51 C ATOM 53 O SER A 290 -21.706 57.584 48.781 1.00 46.72 O ATOM 54 CB SER A 290 -22.921 54.632 47.583 1.00 46.52 C ATOM 55 OG SER A 290 -21.855 54.278 48.445 1.00 47.79 O ATOM 56 N GLN A 291 -21.112 56.898 46.727 1.00 46.51 N ATOM 57 CA GLN A 291 -19.838 57.600 46.742 1.00 46.69 C ATOM 58 C GLN A 291 -19.954 59.098 46.988 1.00 46.12 C ATOM 59 O GLN A 291 -19.254 59.643 47.842 1.00 46.41 O ATOM 60 CB GLN A 291 -19.107 57.373 45.432 1.00 47.12 C ATOM 61 CG GLN A 291 -17.615 57.617 45.566 1.00 49.71 C ATOM 62 CD GLN A 291 -16.819 57.007 44.436 1.00 51.98 C ATOM 63 OE1 GLN A 291 -17.107 55.885 43.985 1.00 54.04 O ATOM 64 NE2 GLN A 291 -15.810 57.746 43.962 1.00 52.65 N ATOM 65 N VAL A 292 -20.833 59.763 46.241 1.00 45.50 N ATOM 66 CA VAL A 292 -21.024 61.204 46.389 1.00 44.87 C ATOM 67 C VAL A 292 -21.541 61.551 47.778 1.00 45.15 C ATOM 68 O VAL A 292 -21.006 62.444 48.411 1.00 45.42 O ATOM 69 CB VAL A 292 -21.988 61.790 45.330 1.00 44.62 C ATOM 70 CG1 VAL A 292 -22.421 63.214 45.712 1.00 43.78 C ATOM 71 CG2 VAL A 292 -21.356 61.753 43.946 1.00 43.76 C ATOM 72 N ALA A 293 -22.570 60.838 48.244 1.00 45.45 N ATOM 73 CA ALA A 293 -23.225 61.110 49.538 1.00 45.39 C ATOM 74 C ALA A 293 -22.255 61.002 50.706 1.00 45.87 C ATOM 75 O ALA A 293 -22.312 61.779 51.667 1.00 45.25 O ATOM 76 CB ALA A 293 -24.364 60.155 49.737 1.00 44.97 C ATOM 77 N ARG A 294 -21.364 60.024 50.594 1.00 46.80 N ATOM 78 CA ARG A 294 -20.310 59.777 51.569 1.00 47.88 C ATOM 79 C ARG A 294 -19.296 60.922 51.604 1.00 48.27 C ATOM 80 O ARG A 294 -19.025 61.492 52.679 1.00 48.83 O ATOM 81 CB ARG A 294 -19.617 58.464 51.213 1.00 48.17 C ATOM 82 CG ARG A 294 -18.553 57.988 52.183 1.00 50.09 C ATOM 83 CD ARG A 294 -18.155 56.528 51.853 1.00 51.81 C ATOM 84 NE ARG A 294 -17.098 56.035 52.731 1.00 52.99 N ATOM 85 N ALA A 295 -18.746 61.257 50.434 1.00 48.32 N ATOM 86 CA ALA A 295 -17.845 62.403 50.303 1.00 48.52 C ATOM 87 C ALA A 295 -18.488 63.669 50.862 1.00 48.79 C ATOM 88 O ALA A 295 -17.852 64.400 51.601 1.00 49.38 O ATOM 89 CB ALA A 295 -17.428 62.610 48.848 1.00 48.31 C ATOM 90 N HIS A 296 -19.749 63.920 50.530 1.00 49.20 N ATOM 91 CA HIS A 296 -20.461 65.079 51.058 1.00 49.76 C ATOM 92 C HIS A 296 -20.544 65.043 52.586 1.00 51.23 C ATOM 93 O HIS A 296 -20.338 66.065 53.242 1.00 51.71 O ATOM 94 CB HIS A 296 -21.867 65.174 50.464 1.00 49.42 C ATOM 95 CG HIS A 296 -22.611 66.414 50.855 1.00 47.78 C ATOM 96 ND1 HIS A 296 -23.698 66.393 51.698 1.00 47.22 N ATOM 97 CD2 HIS A 296 -22.434 67.708 50.507 1.00 47.39 C ATOM 98 CE1 HIS A 296 -24.158 67.621 51.857 1.00 47.65 C ATOM 99 NE2 HIS A 296 -23.407 68.439 51.145 1.00 47.58 N ATOM 100 N ARG A 297 -20.836 63.876 53.155 1.00 52.60 N ATOM 101 CA ARG A 297 -20.943 63.764 54.607 1.00 53.75 C ATOM 102 C ARG A 297 -19.602 63.960 55.301 1.00 54.20 C ATOM 103 O ARG A 297 -19.536 64.638 56.323 1.00 54.13 O ATOM 104 CB ARG A 297 -21.564 62.428 55.028 1.00 54.25 C ATOM 105 CG ARG A 297 -22.998 62.572 55.523 1.00 56.14 C ATOM 106 CD ARG A 297 -23.583 61.242 55.946 1.00 58.87 C ATOM 107 NE ARG A 297 -24.325 60.574 54.860 1.00 61.42 N ATOM 108 CZ ARG A 297 -23.939 59.466 54.212 1.00 62.14 C ATOM 109 NH1 ARG A 297 -22.785 58.847 54.503 1.00 62.48 N ATOM 110 NH2 ARG A 297 -24.724 58.963 53.261 1.00 61.89 N ATOM 111 N GLU A 298 -18.543 63.380 54.743 1.00 54.83 N ATOM 112 CA GLU A 298 -17.202 63.508 55.324 1.00 55.54 C ATOM 113 C GLU A 298 -16.626 64.911 55.243 1.00 55.32 C ATOM 114 O GLU A 298 -16.094 65.416 56.232 1.00 55.74 O ATOM 115 CB GLU A 298 -16.221 62.554 54.643 1.00 56.08 C ATOM 116 CG GLU A 298 -16.262 61.137 55.191 1.00 58.61 C ATOM 117 CD GLU A 298 -15.856 60.110 54.157 1.00 62.93 C ATOM 118 OE1 GLU A 298 -15.229 60.489 53.126 1.00 65.87 O ATOM 119 OE2 GLU A 298 -16.181 58.918 54.371 1.00 65.19 O ATOM 120 N ILE A 299 -16.727 65.532 54.067 1.00 55.08 N ATOM 121 CA ILE A 299 -15.974 66.758 53.765 1.00 54.59 C ATOM 122 C ILE A 299 -16.709 68.011 54.203 1.00 54.63 C ATOM 123 O ILE A 299 -16.079 69.018 54.485 1.00 54.96 O ATOM 124 CB ILE A 299 -15.617 66.865 52.258 1.00 54.41 C ATOM 125 CG1 ILE A 299 -14.819 65.626 51.820 1.00 53.92 C ATOM 126 CG2 ILE A 299 -14.828 68.158 51.982 1.00 53.59 C ATOM 127 CD1 ILE A 299 -14.654 65.448 50.331 1.00 53.46 C ATOM 128 N PHE A 300 -18.031 67.955 54.270 1.00 54.77 N ATOM 129 CA PHE A 300 -18.812 69.100 54.726 1.00 55.01 C ATOM 130 C PHE A 300 -19.408 68.899 56.140 1.00 55.39 C ATOM 131 O PHE A 300 -20.509 68.335 56.323 1.00 55.73 O ATOM 132 CB PHE A 300 -19.914 69.402 53.709 1.00 55.15 C ATOM 133 CG PHE A 300 -19.398 69.780 52.347 1.00 54.57 C ATOM 134 CD1 PHE A 300 -18.738 70.984 52.146 1.00 54.07 C ATOM 135 CD2 PHE A 300 -19.587 68.941 51.269 1.00 54.38 C ATOM 136 CE1 PHE A 300 -18.267 71.340 50.890 1.00 54.17 C ATOM 137 CE2 PHE A 300 -19.119 69.289 50.008 1.00 54.86 C ATOM 138 CZ PHE A 300 -18.456 70.494 49.819 1.00 54.27 C ATOM 139 N VAL A 432 -17.100 94.940 62.608 1.00 69.37 N ATOM 140 CA VAL A 432 -16.841 96.363 62.379 1.00 69.18 C ATOM 141 C VAL A 432 -16.220 96.483 60.972 1.00 69.05 C ATOM 142 O VAL A 432 -16.897 96.870 60.004 1.00 69.46 O ATOM 143 CB VAL A 432 -15.938 96.964 63.511 1.00 69.24 C ATOM 144 CG1 VAL A 432 -16.383 98.387 63.853 1.00 69.27 C ATOM 145 CG2 VAL A 432 -15.964 96.061 64.756 1.00 68.69 C ATOM 146 N GLN A 433 -14.926 96.183 60.883 1.00 68.53 N ATOM 147 CA GLN A 433 -14.313 95.622 59.686 1.00 67.88 C ATOM 148 C GLN A 433 -13.743 94.261 60.057 1.00 67.36 C ATOM 149 O GLN A 433 -13.195 93.551 59.205 1.00 67.60 O ATOM 150 CB GLN A 433 -13.176 96.505 59.181 1.00 67.94 C ATOM 151 CG GLN A 433 -11.862 96.395 59.981 1.00 68.11 C ATOM 152 CD GLN A 433 -10.621 96.623 59.127 1.00 68.66 C ATOM 153 OE1 GLN A 433 -10.696 96.644 57.893 1.00 69.59 O ATOM 154 NE2 GLN A 433 -9.468 96.786 59.781 1.00 68.21 N ATOM 155 N GLU A 434 -13.819 93.933 61.346 1.00 66.39 N ATOM 156 CA GLU A 434 -13.427 92.635 61.835 1.00 65.54 C ATOM 157 C GLU A 434 -14.410 91.615 61.273 1.00 64.71 C ATOM 158 O GLU A 434 -14.020 90.489 60.982 1.00 64.86 O ATOM 159 CB GLU A 434 -13.412 92.617 63.371 1.00 65.45 C ATOM 160 N ILE A 435 -15.669 92.013 61.093 1.00 63.70 N ATOM 161 CA ILE A 435 -16.676 91.131 60.484 1.00 63.18 C ATOM 162 C ILE A 435 -16.349 90.803 59.011 1.00 62.63 C ATOM 163 O ILE A 435 -16.566 89.672 58.544 1.00 62.56 O ATOM 164 CB ILE A 435 -18.106 91.739 60.550 1.00 63.24 C ATOM 165 CG1 ILE A 435 -18.550 91.959 62.002 1.00 62.94 C ATOM 166 N TRP A 436 -15.827 91.797 58.292 1.00 61.75 N ATOM 167 CA TRP A 436 -15.481 91.651 56.879 1.00 61.07 C ATOM 168 C TRP A 436 -14.250 90.765 56.691 1.00 60.90 C ATOM 169 O TRP A 436 -14.225 89.894 55.818 1.00 60.86 O ATOM 170 CB TRP A 436 -15.246 93.028 56.245 1.00 60.90 C ATOM 171 CG TRP A 436 -15.098 92.997 54.762 1.00 59.92 C ATOM 172 CD1 TRP A 436 -15.531 92.023 53.920 1.00 59.42 C ATOM 173 CD2 TRP A 436 -14.517 94.007 53.938 1.00 59.24 C ATOM 174 NE1 TRP A 436 -15.238 92.347 52.628 1.00 59.19 N ATOM 175 CE2 TRP A 436 -14.614 93.561 52.604 1.00 58.87 C ATOM 176 CE3 TRP A 436 -13.914 95.240 54.194 1.00 59.42 C ATOM 177 CZ2 TRP A 436 -14.120 94.297 51.524 1.00 58.45 C ATOM 178 CZ3 TRP A 436 -13.427 95.978 53.116 1.00 59.32 C ATOM 179 CH2 TRP A 436 -13.533 95.498 51.798 1.00 58.96 C ATOM 180 N GLU A 437 -13.232 90.999 57.512 1.00 60.47 N ATOM 181 CA GLU A 437 -12.065 90.132 57.544 1.00 60.18 C ATOM 182 C GLU A 437 -12.465 88.687 57.880 1.00 59.53 C ATOM 183 O GLU A 437 -11.917 87.752 57.301 1.00 59.65 O ATOM 184 CB GLU A 437 -11.025 90.662 58.546 1.00 60.45 C ATOM 185 CG GLU A 437 -10.348 92.003 58.139 1.00 61.67 C ATOM 186 CD GLU A 437 -9.356 92.557 59.190 1.00 63.30 C ATOM 187 OE1 GLU A 437 -9.395 92.136 60.378 1.00 63.73 O ATOM 188 OE2 GLU A 437 -8.529 93.427 58.815 1.00 63.92 O ATOM 189 N ASP A 438 -13.432 88.515 58.788 1.00 58.94 N ATOM 190 CA ASP A 438 -13.844 87.186 59.286 1.00 58.24 C ATOM 191 C ASP A 438 -14.609 86.388 58.232 1.00 57.66 C ATOM 192 O ASP A 438 -14.346 85.198 58.007 1.00 57.27 O ATOM 193 N PHE A 439 -15.565 87.063 57.602 1.00 56.99 N ATOM 194 CA PHE A 439 -16.216 86.571 56.398 1.00 56.56 C ATOM 195 C PHE A 439 -15.194 86.261 55.292 1.00 55.80 C ATOM 196 O PHE A 439 -15.248 85.204 54.663 1.00 55.54 O ATOM 197 CB PHE A 439 -17.193 87.635 55.912 1.00 56.81 C ATOM 198 CG PHE A 439 -17.967 87.247 54.690 1.00 58.04 C ATOM 199 CD1 PHE A 439 -18.900 86.221 54.744 1.00 59.31 C ATOM 200 CD2 PHE A 439 -17.791 87.931 53.489 1.00 59.47 C ATOM 201 CE1 PHE A 439 -19.641 85.864 53.611 1.00 60.19 C ATOM 202 CE2 PHE A 439 -18.527 87.585 52.349 1.00 60.18 C ATOM 203 CZ PHE A 439 -19.452 86.551 52.412 1.00 60.31 C ATOM 204 N SER A 440 -14.248 87.171 55.078 1.00 55.04 N ATOM 205 CA SER A 440 -13.297 87.029 53.981 1.00 54.35 C ATOM 206 C SER A 440 -12.491 85.743 54.088 1.00 54.44 C ATOM 207 O SER A 440 -12.294 85.058 53.093 1.00 54.69 O ATOM 208 CB SER A 440 -12.371 88.234 53.902 1.00 53.91 C ATOM 209 OG SER A 440 -13.107 89.387 53.552 1.00 52.37 O ATOM 210 N MET A 441 -12.049 85.400 55.290 1.00 54.22 N ATOM 211 CA MET A 441 -11.238 84.188 55.493 1.00 54.30 C ATOM 212 C MET A 441 -12.032 82.899 55.678 1.00 53.28 C ATOM 213 O MET A 441 -11.448 81.821 55.778 1.00 52.86 O ATOM 214 CB MET A 441 -10.356 84.356 56.716 1.00 55.12 C ATOM 215 CG MET A 441 -9.048 85.053 56.451 1.00 57.41 C ATOM 216 SD MET A 441 -8.168 85.046 58.012 1.00 63.62 S ATOM 217 CE MET A 441 -9.353 85.909 59.080 1.00 61.74 C ATOM 218 N SER A 442 -13.349 83.017 55.772 1.00 52.55 N ATOM 219 CA SER A 442 -14.226 81.856 55.739 1.00 51.98 C ATOM 220 C SER A 442 -14.053 81.076 54.419 1.00 51.41 C ATOM 221 O SER A 442 -14.045 79.841 54.409 1.00 51.65 O ATOM 222 CB SER A 442 -15.682 82.303 55.897 1.00 51.77 C ATOM 223 N PHE A 443 -13.889 81.813 53.318 1.00 50.53 N ATOM 224 CA PHE A 443 -13.889 81.245 51.959 1.00 49.72 C ATOM 225 C PHE A 443 -12.737 80.288 51.643 1.00 48.59 C ATOM 226 O PHE A 443 -12.906 79.367 50.849 1.00 48.47 O ATOM 227 CB PHE A 443 -13.917 82.374 50.906 1.00 49.89 C ATOM 228 CG PHE A 443 -15.225 83.120 50.852 1.00 50.62 C ATOM 229 CD1 PHE A 443 -16.303 82.599 50.145 1.00 51.71 C ATOM 230 CD2 PHE A 443 -15.377 84.340 51.505 1.00 51.29 C ATOM 231 CE1 PHE A 443 -17.518 83.279 50.097 1.00 52.32 C ATOM 232 CE2 PHE A 443 -16.582 85.033 51.460 1.00 51.43 C ATOM 233 CZ PHE A 443 -17.657 84.498 50.756 1.00 52.30 C ATOM 234 N THR A 444 -11.574 80.510 52.247 1.00 47.39 N ATOM 235 CA THR A 444 -10.382 79.720 51.910 1.00 46.45 C ATOM 236 C THR A 444 -10.527 78.239 52.281 1.00 45.64 C ATOM 237 O THR A 444 -10.302 77.380 51.443 1.00 45.42 O ATOM 238 CB THR A 444 -9.091 80.324 52.521 1.00 46.28 C ATOM 239 OG1 THR A 444 -8.915 81.674 52.055 1.00 46.88 O ATOM 240 CG2 THR A 444 -7.894 79.497 52.138 1.00 45.39 C ATOM 241 N PRO A 445 -10.906 77.938 53.535 1.00 44.88 N ATOM 242 CA PRO A 445 -11.178 76.521 53.839 1.00 44.18 C ATOM 243 C PRO A 445 -12.402 75.973 53.088 1.00 43.39 C ATOM 244 O PRO A 445 -12.419 74.806 52.701 1.00 43.30 O ATOM 245 CB PRO A 445 -11.410 76.516 55.365 1.00 44.20 C ATOM 246 CG PRO A 445 -11.701 77.963 55.733 1.00 44.30 C ATOM 247 CD PRO A 445 -10.968 78.797 54.738 1.00 44.58 C ATOM 248 N ALA A 446 -13.410 76.811 52.877 1.00 42.54 N ATOM 249 CA ALA A 446 -14.596 76.393 52.129 1.00 42.10 C ATOM 250 C ALA A 446 -14.231 75.997 50.704 1.00 41.59 C ATOM 251 O ALA A 446 -14.631 74.945 50.234 1.00 41.82 O ATOM 252 CB ALA A 446 -15.639 77.492 52.126 1.00 41.83 C ATOM 253 N VAL A 447 -13.449 76.828 50.028 1.00 41.38 N ATOM 254 CA VAL A 447 -13.010 76.517 48.670 1.00 41.30 C ATOM 255 C VAL A 447 -12.201 75.207 48.657 1.00 41.83 C ATOM 256 O VAL A 447 -12.371 74.385 47.757 1.00 41.89 O ATOM 257 CB VAL A 447 -12.210 77.689 48.024 1.00 41.18 C ATOM 258 CG1 VAL A 447 -11.749 77.319 46.626 1.00 41.03 C ATOM 259 CG2 VAL A 447 -13.060 78.950 47.960 1.00 39.59 C ATOM 260 N ARG A 448 -11.357 74.995 49.668 1.00 42.05 N ATOM 261 CA ARG A 448 -10.594 73.748 49.764 1.00 42.39 C ATOM 262 C ARG A 448 -11.480 72.558 50.025 1.00 42.20 C ATOM 263 O ARG A 448 -11.165 71.471 49.574 1.00 42.35 O ATOM 264 CB ARG A 448 -9.528 73.811 50.855 1.00 42.75 C ATOM 265 CG ARG A 448 -8.391 74.755 50.534 1.00 44.83 C ATOM 266 CD ARG A 448 -7.201 74.491 51.411 1.00 48.73 C ATOM 267 NE ARG A 448 -6.200 75.557 51.295 1.00 52.51 N ATOM 268 CZ ARG A 448 -6.050 76.578 52.144 1.00 56.02 C ATOM 269 NH1 ARG A 448 -6.837 76.715 53.224 1.00 57.88 N ATOM 270 NH2 ARG A 448 -5.095 77.479 51.913 1.00 56.73 N ATOM 271 N GLU A 449 -12.575 72.752 50.759 1.00 42.31 N ATOM 272 CA GLU A 449 -13.555 71.673 50.979 1.00 42.30 C ATOM 273 C GLU A 449 -14.208 71.291 49.665 1.00 41.71 C ATOM 274 O GLU A 449 -14.391 70.115 49.382 1.00 41.63 O ATOM 275 CB GLU A 449 -14.650 72.084 51.972 1.00 42.56 C ATOM 276 CG GLU A 449 -14.157 72.226 53.397 1.00 44.76 C ATOM 277 CD GLU A 449 -15.192 72.776 54.361 1.00 47.26 C ATOM 278 OE1 GLU A 449 -16.233 73.339 53.932 1.00 48.69 O ATOM 279 OE2 GLU A 449 -14.942 72.642 55.577 1.00 49.49 O ATOM 280 N VAL A 450 -14.558 72.293 48.870 1.00 40.95 N ATOM 281 CA VAL A 450 -15.151 72.046 47.570 1.00 40.61 C ATOM 282 C VAL A 450 -14.166 71.310 46.655 1.00 40.62 C ATOM 283 O VAL A 450 -14.548 70.362 45.973 1.00 40.70 O ATOM 284 CB VAL A 450 -15.645 73.365 46.898 1.00 40.67 C ATOM 285 CG1 VAL A 450 -16.144 73.082 45.493 1.00 39.08 C ATOM 286 CG2 VAL A 450 -16.738 74.027 47.756 1.00 38.95 C ATOM 287 N VAL A 451 -12.903 71.723 46.655 1.00 40.55 N ATOM 288 CA VAL A 451 -11.904 71.060 45.830 1.00 40.66 C ATOM 289 C VAL A 451 -11.754 69.580 46.222 1.00 41.24 C ATOM 290 O VAL A 451 -11.675 68.726 45.356 1.00 41.58 O ATOM 291 CB VAL A 451 -10.531 71.782 45.877 1.00 40.69 C ATOM 292 CG1 VAL A 451 -9.489 71.012 45.076 1.00 40.04 C ATOM 293 CG2 VAL A 451 -10.647 73.204 45.343 1.00 39.28 C ATOM 294 N GLU A 452 -11.742 69.274 47.513 1.00 41.63 N ATOM 295 CA GLU A 452 -11.625 67.884 47.972 1.00 42.28 C ATOM 296 C GLU A 452 -12.869 67.049 47.604 1.00 41.83 C ATOM 297 O GLU A 452 -12.762 65.917 47.144 1.00 42.24 O ATOM 298 CB GLU A 452 -11.376 67.857 49.494 1.00 42.89 C ATOM 299 CG GLU A 452 -10.997 66.480 50.101 1.00 45.65 C ATOM 300 CD GLU A 452 -9.620 65.976 49.646 1.00 50.40 C ATOM 301 OE1 GLU A 452 -8.776 66.821 49.252 1.00 53.80 O ATOM 302 OE2 GLU A 452 -9.378 64.739 49.673 1.00 53.08 O ATOM 303 N PHE A 453 -14.050 67.609 47.821 1.00 41.35 N ATOM 304 CA PHE A 453 -15.302 66.988 47.390 1.00 40.69 C ATOM 305 C PHE A 453 -15.194 66.634 45.916 1.00 40.60 C ATOM 306 O PHE A 453 -15.350 65.481 45.559 1.00 40.45 O ATOM 307 CB PHE A 453 -16.472 67.941 47.677 1.00 40.44 C ATOM 308 CG PHE A 453 -17.839 67.439 47.233 1.00 40.29 C ATOM 309 CD1 PHE A 453 -18.411 66.315 47.807 1.00 39.68 C ATOM 310 CD2 PHE A 453 -18.581 68.152 46.283 1.00 39.32 C ATOM 311 CE1 PHE A 453 -19.662 65.890 47.423 1.00 39.27 C ATOM 312 CE2 PHE A 453 -19.830 67.730 45.894 1.00 38.83 C ATOM 313 CZ PHE A 453 -20.374 66.599 46.468 1.00 39.82 C ATOM 314 N ALA A 454 -14.872 67.604 45.065 1.00 40.76 N ATOM 315 CA ALA A 454 -14.784 67.343 43.619 1.00 40.93 C ATOM 316 C ALA A 454 -13.932 66.106 43.319 1.00 41.21 C ATOM 317 O ALA A 454 -14.283 65.290 42.462 1.00 40.85 O ATOM 318 CB ALA A 454 -14.246 68.553 42.864 1.00 40.66 C ATOM 319 N LYS A 455 -12.832 65.949 44.046 1.00 41.76 N ATOM 320 CA LYS A 455 -11.921 64.833 43.806 1.00 42.39 C ATOM 321 C LYS A 455 -12.588 63.490 44.084 1.00 42.80 C ATOM 322 O LYS A 455 -12.154 62.478 43.544 1.00 43.09 O ATOM 323 CB LYS A 455 -10.655 64.962 44.663 1.00 42.59 C ATOM 324 CG LYS A 455 -9.774 66.165 44.338 1.00 43.00 C ATOM 325 CD LYS A 455 -8.588 66.236 45.298 1.00 44.07 C ATOM 326 CE LYS A 455 -7.571 67.302 44.895 1.00 44.17 C ATOM 327 NZ LYS A 455 -6.493 67.367 45.919 1.00 44.59 N ATOM 328 N HIS A 456 -13.630 63.484 44.921 1.00 43.10 N ATOM 329 CA HIS A 456 -14.375 62.261 45.245 1.00 43.61 C ATOM 330 C HIS A 456 -15.567 61.965 44.327 1.00 43.42 C ATOM 331 O HIS A 456 -16.220 60.920 44.461 1.00 43.33 O ATOM 332 CB HIS A 456 -14.849 62.312 46.692 1.00 44.00 C ATOM 333 CG HIS A 456 -13.746 62.123 47.681 1.00 46.78 C ATOM 334 ND1 HIS A 456 -12.867 63.131 48.016 1.00 49.61 N ATOM 335 CD2 HIS A 456 -13.362 61.033 48.389 1.00 48.92 C ATOM 336 CE1 HIS A 456 -11.995 62.673 48.900 1.00 50.67 C ATOM 337 NE2 HIS A 456 -12.275 61.404 49.146 1.00 50.07 N ATOM 338 N ILE A 457 -15.839 62.877 43.400 1.00 43.16 N ATOM 339 CA ILE A 457 -16.930 62.721 42.459 1.00 43.02 C ATOM 340 C ILE A 457 -16.468 61.723 41.394 1.00 43.48 C ATOM 341 O ILE A 457 -15.461 61.971 40.701 1.00 43.47 O ATOM 342 CB ILE A 457 -17.335 64.084 41.815 1.00 42.90 C ATOM 343 CG1 ILE A 457 -17.719 65.095 42.908 1.00 42.43 C ATOM 344 CG2 ILE A 457 -18.492 63.899 40.829 1.00 42.61 C ATOM 345 CD1 ILE A 457 -18.106 66.479 42.409 1.00 41.48 C ATOM 346 N PRO A 458 -17.183 60.581 41.274 1.00 43.74 N ATOM 347 CA PRO A 458 -16.830 59.552 40.296 1.00 43.61 C ATOM 348 C PRO A 458 -16.647 60.142 38.913 1.00 43.92 C ATOM 349 O PRO A 458 -17.607 60.645 38.335 1.00 44.02 O ATOM 350 CB PRO A 458 -18.046 58.619 40.306 1.00 43.62 C ATOM 351 CG PRO A 458 -18.695 58.841 41.612 1.00 43.85 C ATOM 352 CD PRO A 458 -18.442 60.262 41.978 1.00 43.83 C ATOM 353 N GLY A 459 -15.419 60.109 38.407 1.00 44.29 N ATOM 354 CA GLY A 459 -15.121 60.585 37.065 1.00 44.89 C ATOM 355 C GLY A 459 -14.535 61.980 36.971 1.00 45.62 C ATOM 356 O GLY A 459 -14.036 62.370 35.917 1.00 45.62 O ATOM 357 N PHE A 460 -14.590 62.748 38.055 1.00 46.72 N ATOM 358 CA PHE A 460 -14.028 64.090 38.020 1.00 47.53 C ATOM 359 C PHE A 460 -12.533 64.050 37.729 1.00 48.18 C ATOM 360 O PHE A 460 -12.036 64.818 36.889 1.00 48.23 O ATOM 361 CB PHE A 460 -14.280 64.844 39.319 1.00 47.49 C ATOM 362 CG PHE A 460 -13.832 66.286 39.272 1.00 48.52 C ATOM 363 CD1 PHE A 460 -14.630 67.260 38.679 1.00 49.54 C ATOM 364 CD2 PHE A 460 -12.617 66.670 39.809 1.00 49.55 C ATOM 365 CE1 PHE A 460 -14.224 68.589 38.626 1.00 49.50 C ATOM 366 CE2 PHE A 460 -12.214 67.991 39.768 1.00 50.37 C ATOM 367 CZ PHE A 460 -13.022 68.953 39.167 1.00 50.16 C ATOM 368 N ARG A 461 -11.819 63.147 38.400 1.00 48.99 N ATOM 369 CA ARG A 461 -10.361 63.096 38.248 1.00 49.92 C ATOM 370 C ARG A 461 -9.885 62.316 37.025 1.00 50.12 C ATOM 371 O ARG A 461 -8.689 62.129 36.853 1.00 50.59 O ATOM 372 CB ARG A 461 -9.680 62.602 39.525 1.00 49.94 C ATOM 373 CG ARG A 461 -10.062 63.446 40.742 1.00 51.10 C ATOM 374 CD ARG A 461 -8.855 63.875 41.565 1.00 51.71 C ATOM 375 NE ARG A 461 -8.126 64.978 40.949 1.00 52.15 N ATOM 376 CZ ARG A 461 -6.914 65.389 41.302 1.00 51.25 C ATOM 377 NH1 ARG A 461 -6.256 64.810 42.300 1.00 51.23 N ATOM 378 NH2 ARG A 461 -6.360 66.398 40.644 1.00 51.68 N ATOM 379 N ASP A 462 -10.813 61.882 36.173 1.00 50.52 N ATOM 380 CA ASP A 462 -10.470 61.427 34.816 1.00 50.63 C ATOM 381 C ASP A 462 -10.526 62.554 33.795 1.00 50.35 C ATOM 382 O ASP A 462 -10.040 62.391 32.688 1.00 49.98 O ATOM 383 CB ASP A 462 -11.397 60.309 34.353 1.00 50.82 C ATOM 384 CG ASP A 462 -11.398 59.118 35.293 1.00 52.11 C ATOM 385 OD1 ASP A 462 -10.365 58.863 35.958 1.00 53.57 O ATOM 386 OD2 ASP A 462 -12.450 58.440 35.362 1.00 53.98 O ATOM 387 N LEU A 463 -11.148 63.676 34.149 1.00 50.40 N ATOM 388 CA LEU A 463 -11.068 64.868 33.318 1.00 50.38 C ATOM 389 C LEU A 463 -9.621 65.355 33.383 1.00 50.64 C ATOM 390 O LEU A 463 -8.913 65.076 34.369 1.00 51.18 O ATOM 391 CB LEU A 463 -12.005 65.977 33.823 1.00 50.40 C ATOM 392 CG LEU A 463 -13.510 65.713 33.969 1.00 50.26 C ATOM 393 CD1 LEU A 463 -14.218 66.959 34.474 1.00 48.80 C ATOM 394 CD2 LEU A 463 -14.130 65.254 32.668 1.00 49.57 C ATOM 395 N SER A 464 -9.183 66.080 32.351 1.00 50.36 N ATOM 396 CA SER A 464 -7.831 66.630 32.320 1.00 50.09 C ATOM 397 C SER A 464 -7.657 67.624 33.455 1.00 50.50 C ATOM 398 O SER A 464 -8.639 68.162 33.973 1.00 50.30 O ATOM 399 CB SER A 464 -7.544 67.306 30.974 1.00 49.94 C ATOM 400 OG SER A 464 -8.394 68.413 30.739 1.00 49.41 O ATOM 401 N GLN A 465 -6.411 67.864 33.848 1.00 51.03 N ATOM 402 CA GLN A 465 -6.120 68.846 34.901 1.00 51.62 C ATOM 403 C GLN A 465 -6.730 70.208 34.573 1.00 51.15 C ATOM 404 O GLN A 465 -7.335 70.857 35.441 1.00 51.32 O ATOM 405 CB GLN A 465 -4.610 68.989 35.111 1.00 52.20 C ATOM 406 CG GLN A 465 -4.029 67.978 36.096 1.00 54.56 C ATOM 407 CD GLN A 465 -4.012 68.499 37.524 1.00 57.60 C ATOM 408 OE1 GLN A 465 -4.607 67.898 38.431 1.00 59.69 O ATOM 409 NE2 GLN A 465 -3.327 69.627 37.733 1.00 58.35 N ATOM 410 N HIS A 466 -6.564 70.621 33.316 1.00 50.43 N ATOM 411 CA HIS A 466 -7.099 71.885 32.819 1.00 49.88 C ATOM 412 C HIS A 466 -8.619 71.962 32.975 1.00 48.71 C ATOM 413 O HIS A 466 -9.138 72.973 33.427 1.00 48.80 O ATOM 414 CB HIS A 466 -6.705 72.080 31.351 1.00 50.06 C ATOM 415 CG HIS A 466 -7.304 73.294 30.711 1.00 52.10 C ATOM 416 ND1 HIS A 466 -6.619 74.484 30.582 1.00 54.75 N ATOM 417 CD2 HIS A 466 -8.524 73.500 30.152 1.00 54.09 C ATOM 418 CE1 HIS A 466 -7.390 75.370 29.972 1.00 55.44 C ATOM 419 NE2 HIS A 466 -8.552 74.798 29.702 1.00 55.06 N ATOM 420 N ASP A 467 -9.322 70.897 32.597 1.00 47.55 N ATOM 421 CA ASP A 467 -10.787 70.861 32.658 1.00 46.53 C ATOM 422 C ASP A 467 -11.275 70.843 34.116 1.00 45.43 C ATOM 423 O ASP A 467 -12.131 71.628 34.480 1.00 45.37 O ATOM 424 CB ASP A 467 -11.331 69.663 31.858 1.00 46.69 C ATOM 425 CG ASP A 467 -11.210 69.857 30.334 1.00 47.23 C ATOM 426 OD1 ASP A 467 -10.607 70.855 29.894 1.00 48.42 O ATOM 427 OD2 ASP A 467 -11.725 69.018 29.563 1.00 47.63 O ATOM 428 N GLN A 468 -10.706 69.969 34.941 1.00 44.36 N ATOM 429 CA GLN A 468 -10.911 69.996 36.393 1.00 43.75 C ATOM 430 C GLN A 468 -10.806 71.418 36.963 1.00 43.45 C ATOM 431 O GLN A 468 -11.728 71.924 37.616 1.00 43.36 O ATOM 432 CB GLN A 468 -9.864 69.116 37.100 1.00 43.58 C ATOM 433 CG GLN A 468 -10.041 67.600 36.902 1.00 43.33 C ATOM 434 CD GLN A 468 -8.967 66.758 37.607 1.00 41.03 C ATOM 435 OE1 GLN A 468 -8.493 67.114 38.684 1.00 39.39 O ATOM 436 NE2 GLN A 468 -8.600 65.632 36.999 1.00 38.85 N ATOM 437 N VAL A 469 -9.662 72.049 36.719 1.00 43.08 N ATOM 438 CA VAL A 469 -9.384 73.375 37.259 1.00 42.67 C ATOM 439 C VAL A 469 -10.369 74.392 36.696 1.00 42.29 C ATOM 440 O VAL A 469 -10.839 75.267 37.421 1.00 42.63 O ATOM 441 CB VAL A 469 -7.928 73.832 36.951 1.00 42.82 C ATOM 442 CG1 VAL A 469 -7.729 75.257 37.410 1.00 43.07 C ATOM 443 CG2 VAL A 469 -6.905 72.921 37.638 1.00 42.17 C ATOM 444 N THR A 470 -10.689 74.259 35.408 1.00 41.54 N ATOM 445 CA THR A 470 -11.626 75.159 34.741 1.00 40.81 C ATOM 446 C THR A 470 -13.021 75.060 35.362 1.00 40.41 C ATOM 447 O THR A 470 -13.688 76.086 35.547 1.00 40.73 O ATOM 448 CB THR A 470 -11.668 74.920 33.194 1.00 40.78 C ATOM 449 OG1 THR A 470 -10.409 75.286 32.609 1.00 40.30 O ATOM 450 CG2 THR A 470 -12.744 75.756 32.540 1.00 40.86 C ATOM 451 N LEU A 471 -13.450 73.848 35.713 1.00 39.61 N ATOM 452 CA LEU A 471 -14.773 73.660 36.326 1.00 39.20 C ATOM 453 C LEU A 471 -14.857 74.246 37.729 1.00 38.84 C ATOM 454 O LEU A 471 -15.886 74.811 38.099 1.00 38.81 O ATOM 455 CB LEU A 471 -15.158 72.183 36.414 1.00 39.13 C ATOM 456 CG LEU A 471 -15.882 71.552 35.242 1.00 39.51 C ATOM 457 CD1 LEU A 471 -16.143 70.085 35.575 1.00 39.75 C ATOM 458 CD2 LEU A 471 -17.185 72.283 34.905 1.00 40.28 C ATOM 459 N LEU A 472 -13.794 74.077 38.521 1.00 38.36 N ATOM 460 CA LEU A 472 -13.785 74.584 39.904 1.00 37.64 C ATOM 461 C LEU A 472 -13.809 76.103 39.924 1.00 37.46 C ATOM 462 O LEU A 472 -14.526 76.713 40.734 1.00 36.73 O ATOM 463 CB LEU A 472 -12.594 74.032 40.684 1.00 37.32 C ATOM 464 CG LEU A 472 -12.839 72.560 41.062 1.00 37.73 C ATOM 465 CD1 LEU A 472 -11.544 71.773 41.198 1.00 35.82 C ATOM 466 CD2 LEU A 472 -13.715 72.439 42.329 1.00 36.27 C ATOM 467 N LYS A 473 -13.049 76.710 39.011 1.00 37.23 N ATOM 468 CA LYS A 473 -13.052 78.155 38.865 1.00 37.29 C ATOM 469 C LYS A 473 -14.430 78.644 38.460 1.00 36.81 C ATOM 470 O LYS A 473 -14.957 79.593 39.027 1.00 36.34 O ATOM 471 CB LYS A 473 -12.034 78.580 37.824 1.00 37.71 C ATOM 472 CG LYS A 473 -10.581 78.512 38.289 1.00 39.71 C ATOM 473 CD LYS A 473 -9.701 79.254 37.286 1.00 42.34 C ATOM 474 CE LYS A 473 -8.292 78.702 37.219 1.00 44.03 C ATOM 475 NZ LYS A 473 -7.605 78.821 38.523 1.00 45.39 N ATOM 476 N ALA A 474 -15.021 77.971 37.483 1.00 36.84 N ATOM 477 CA ALA A 474 -16.335 78.363 36.975 1.00 36.79 C ATOM 478 C ALA A 474 -17.446 78.079 37.990 1.00 36.73 C ATOM 479 O ALA A 474 -18.303 78.920 38.210 1.00 36.93 O ATOM 480 CB ALA A 474 -16.618 77.662 35.658 1.00 36.51 C ATOM 481 N GLY A 475 -17.392 76.917 38.646 1.00 36.82 N ATOM 482 CA GLY A 475 -18.506 76.411 39.451 1.00 36.52 C ATOM 483 C GLY A 475 -18.424 76.472 40.960 1.00 36.53 C ATOM 484 O GLY A 475 -19.423 76.191 41.614 1.00 37.03 O ATOM 485 N THR A 476 -17.270 76.826 41.531 1.00 36.53 N ATOM 486 CA THR A 476 -17.108 76.826 42.999 1.00 36.59 C ATOM 487 C THR A 476 -17.989 77.859 43.748 1.00 37.02 C ATOM 488 O THR A 476 -18.522 77.545 44.814 1.00 37.26 O ATOM 489 CB THR A 476 -15.609 76.987 43.435 1.00 36.78 C ATOM 490 OG1 THR A 476 -14.838 75.899 42.920 1.00 35.92 O ATOM 491 CG2 THR A 476 -15.459 77.016 44.979 1.00 35.65 C ATOM 492 N PHE A 477 -18.143 79.075 43.217 1.00 37.25 N ATOM 493 CA PHE A 477 -19.001 80.078 43.867 1.00 37.48 C ATOM 494 C PHE A 477 -20.429 79.574 44.005 1.00 37.34 C ATOM 495 O PHE A 477 -21.055 79.753 45.032 1.00 37.18 O ATOM 496 CB PHE A 477 -18.996 81.391 43.090 1.00 37.87 C ATOM 497 CG PHE A 477 -19.868 82.466 43.698 1.00 39.99 C ATOM 498 CD1 PHE A 477 -19.361 83.340 44.642 1.00 42.64 C ATOM 499 CD2 PHE A 477 -21.195 82.603 43.325 1.00 42.21 C ATOM 500 CE1 PHE A 477 -20.170 84.337 45.204 1.00 43.50 C ATOM 501 CE2 PHE A 477 -22.003 83.595 43.888 1.00 43.29 C ATOM 502 CZ PHE A 477 -21.485 84.460 44.820 1.00 43.00 C ATOM 503 N GLU A 478 -20.937 78.939 42.962 1.00 37.56 N ATOM 504 CA GLU A 478 -22.304 78.431 42.973 1.00 37.83 C ATOM 505 C GLU A 478 -22.467 77.303 43.997 1.00 38.06 C ATOM 506 O GLU A 478 -23.490 77.225 44.678 1.00 37.94 O ATOM 507 CB GLU A 478 -22.709 77.960 41.569 1.00 37.85 C ATOM 508 CG GLU A 478 -22.895 79.092 40.546 1.00 38.69 C ATOM 509 CD GLU A 478 -22.950 78.596 39.100 1.00 41.31 C ATOM 510 OE1 GLU A 478 -23.559 77.530 38.842 1.00 43.31 O ATOM 511 OE2 GLU A 478 -22.377 79.274 38.214 1.00 42.58 O ATOM 512 N VAL A 479 -21.460 76.434 44.100 1.00 38.17 N ATOM 513 CA VAL A 479 -21.448 75.374 45.111 1.00 38.38 C ATOM 514 C VAL A 479 -21.448 75.982 46.507 1.00 38.81 C ATOM 515 O VAL A 479 -22.176 75.533 47.369 1.00 38.80 O ATOM 516 CB VAL A 479 -20.219 74.441 44.956 1.00 38.45 C ATOM 517 CG1 VAL A 479 -20.109 73.470 46.124 1.00 38.09 C ATOM 518 CG2 VAL A 479 -20.290 73.695 43.640 1.00 37.70 C ATOM 519 N LEU A 480 -20.643 77.015 46.722 1.00 39.49 N ATOM 520 CA LEU A 480 -20.657 77.726 47.996 1.00 40.15 C ATOM 521 C LEU A 480 -22.042 78.320 48.325 1.00 41.22 C ATOM 522 O LEU A 480 -22.462 78.315 49.472 1.00 41.00 O ATOM 523 CB LEU A 480 -19.573 78.804 48.011 1.00 39.66 C ATOM 524 CG LEU A 480 -18.148 78.246 48.046 1.00 39.38 C ATOM 525 CD1 LEU A 480 -17.130 79.364 48.048 1.00 38.29 C ATOM 526 CD2 LEU A 480 -17.936 77.321 49.245 1.00 38.01 C ATOM 527 N MET A 481 -22.750 78.819 47.322 1.00 42.82 N ATOM 528 CA MET A 481 -24.116 79.269 47.515 1.00 44.30 C ATOM 529 C MET A 481 -24.999 78.159 48.062 1.00 45.38 C ATOM 530 O MET A 481 -25.900 78.426 48.845 1.00 45.20 O ATOM 531 CB MET A 481 -24.724 79.745 46.195 1.00 44.90 C ATOM 532 CG MET A 481 -24.080 80.966 45.552 1.00 46.75 C ATOM 533 SD MET A 481 -24.050 82.376 46.672 1.00 50.83 S ATOM 534 CE MET A 481 -22.500 82.036 47.550 1.00 50.73 C ATOM 535 N VAL A 482 -24.761 76.922 47.621 1.00 47.22 N ATOM 536 CA VAL A 482 -25.550 75.757 48.062 1.00 48.43 C ATOM 537 C VAL A 482 -25.167 75.352 49.474 1.00 50.08 C ATOM 538 O VAL A 482 -26.026 74.992 50.264 1.00 50.57 O ATOM 539 CB VAL A 482 -25.372 74.514 47.127 1.00 48.33 C ATOM 540 CG1 VAL A 482 -26.127 73.305 47.680 1.00 47.54 C ATOM 541 CG2 VAL A 482 -25.826 74.821 45.713 1.00 47.38 C ATOM 542 N ARG A 483 -23.873 75.399 49.769 1.00 52.33 N ATOM 543 CA ARG A 483 -23.344 75.082 51.098 1.00 54.36 C ATOM 544 C ARG A 483 -23.793 76.084 52.162 1.00 55.79 C ATOM 545 O ARG A 483 -24.166 75.699 53.258 1.00 55.60 O ATOM 546 CB ARG A 483 -21.810 75.031 51.055 1.00 54.57 C ATOM 547 CG ARG A 483 -21.222 73.767 50.446 1.00 56.41 C ATOM 548 CD ARG A 483 -21.657 72.517 51.216 1.00 60.04 C ATOM 549 NE ARG A 483 -21.573 72.714 52.671 1.00 63.35 N ATOM 550 CZ ARG A 483 -22.392 72.173 53.584 1.00 65.78 C ATOM 551 NH1 ARG A 483 -23.395 71.349 53.241 1.00 65.59 N ATOM 552 NH2 ARG A 483 -22.196 72.466 54.871 1.00 66.79 N ATOM 553 N PHE A 484 -23.737 77.368 51.836 1.00 58.02 N ATOM 554 CA PHE A 484 -24.238 78.393 52.723 1.00 60.00 C ATOM 555 C PHE A 484 -25.694 78.100 53.010 1.00 61.91 C ATOM 556 O PHE A 484 -26.140 78.177 54.147 1.00 62.03 O ATOM 557 CB PHE A 484 -24.082 79.776 52.088 1.00 60.17 C ATOM 558 CG PHE A 484 -22.643 80.232 51.968 1.00 60.69 C ATOM 559 N ALA A 485 -26.421 77.729 51.963 1.00 64.47 N ATOM 560 CA ALA A 485 -27.843 77.396 52.050 1.00 66.71 C ATOM 561 C ALA A 485 -28.219 76.598 53.291 1.00 69.05 C ATOM 562 O ALA A 485 -29.152 76.962 54.008 1.00 69.66 O ATOM 563 N SER A 486 -27.490 75.513 53.542 1.00 71.10 N ATOM 564 CA SER A 486 -27.723 74.681 54.723 1.00 72.49 C ATOM 565 C SER A 486 -27.253 75.420 55.981 1.00 73.73 C ATOM 566 O SER A 486 -27.963 75.442 56.991 1.00 74.21 O ATOM 567 CB SER A 486 -27.029 73.308 54.582 1.00 72.58 C ATOM 568 OG SER A 486 -25.622 73.393 54.776 1.00 72.76 O ATOM 569 N LEU A 487 -26.078 76.048 55.901 1.00 75.07 N ATOM 570 CA LEU A 487 -25.484 76.784 57.031 1.00 76.17 C ATOM 571 C LEU A 487 -26.138 78.154 57.332 1.00 77.23 C ATOM 572 O LEU A 487 -25.486 79.032 57.909 1.00 77.32 O ATOM 573 CB LEU A 487 -23.981 76.998 56.782 1.00 76.30 C ATOM 574 N PHE A 488 -27.409 78.329 56.950 1.00 78.33 N ATOM 575 CA PHE A 488 -28.152 79.569 57.198 1.00 78.98 C ATOM 576 C PHE A 488 -28.936 79.420 58.504 1.00 79.75 C ATOM 577 O PHE A 488 -28.354 79.037 59.522 1.00 80.09 O ATOM 578 CB PHE A 488 -29.080 79.887 56.019 1.00 78.99 C ATOM 579 N ASN A 489 -30.240 79.711 58.490 1.00 80.49 N ATOM 580 CA ASN A 489 -31.054 79.599 59.706 1.00 80.96 C ATOM 581 C ASN A 489 -32.559 79.752 59.522 1.00 81.47 C ATOM 582 O ASN A 489 -33.118 79.410 58.476 1.00 81.41 O ATOM 583 N VAL A 490 -33.211 80.230 60.580 1.00 82.15 N ATOM 584 CA VAL A 490 -34.637 80.585 60.563 1.00 82.57 C ATOM 585 C VAL A 490 -34.788 82.078 60.826 1.00 82.88 C ATOM 586 O VAL A 490 -35.461 82.790 60.064 1.00 82.81 O ATOM 587 N LYS A 491 -34.160 82.541 61.912 1.00 83.08 N ATOM 588 CA LYS A 491 -33.975 83.974 62.173 1.00 83.11 C ATOM 589 C LYS A 491 -33.017 84.639 61.185 1.00 83.05 C ATOM 590 O LYS A 491 -33.445 85.385 60.296 1.00 83.21 O ATOM 591 N ASP A 492 -31.722 84.369 61.337 1.00 82.84 N ATOM 592 CA ASP A 492 -30.696 84.965 60.484 1.00 82.59 C ATOM 593 C ASP A 492 -29.634 85.668 61.302 1.00 82.50 C ATOM 594 O ASP A 492 -28.636 85.056 61.686 1.00 82.47 O ATOM 595 N GLU A 507 -27.751 94.021 60.293 1.00 88.49 N ATOM 596 CA GLU A 507 -26.932 92.820 60.400 1.00 88.73 C ATOM 597 C GLU A 507 -25.551 93.012 59.765 1.00 88.81 C ATOM 598 O GLU A 507 -24.827 93.954 60.108 1.00 88.92 O ATOM 599 N LEU A 508 -25.200 92.117 58.838 1.00 88.68 N ATOM 600 CA LEU A 508 -23.915 92.178 58.124 1.00 88.56 C ATOM 601 C LEU A 508 -24.035 92.938 56.792 1.00 88.54 C ATOM 602 O LEU A 508 -23.278 92.676 55.848 1.00 88.68 O ATOM 603 CB LEU A 508 -23.377 90.758 57.867 1.00 88.53 C ATOM 604 CG LEU A 508 -22.994 89.873 59.062 1.00 88.38 C ATOM 605 CD1 LEU A 508 -22.788 88.429 58.619 1.00 88.29 C ATOM 606 CD2 LEU A 508 -21.740 90.387 59.760 1.00 88.17 C ATOM 607 N GLY A 509 -24.977 93.880 56.718 1.00 88.38 N ATOM 608 CA GLY A 509 -25.184 94.676 55.510 1.00 88.25 C ATOM 609 C GLY A 509 -24.042 95.637 55.231 1.00 88.23 C ATOM 610 O GLY A 509 -23.600 95.784 54.083 1.00 88.28 O ATOM 611 N ALA A 510 -23.543 96.260 56.296 1.00 88.14 N ATOM 612 CA ALA A 510 -22.619 97.393 56.191 1.00 88.02 C ATOM 613 C ALA A 510 -21.271 97.088 55.524 1.00 87.88 C ATOM 614 O ALA A 510 -20.560 98.016 55.143 1.00 88.08 O ATOM 615 CB ALA A 510 -22.393 98.020 57.575 1.00 87.96 C ATOM 616 N MET A 511 -20.906 95.816 55.383 1.00 87.56 N ATOM 617 CA MET A 511 -19.627 95.468 54.744 1.00 87.24 C ATOM 618 C MET A 511 -19.711 95.437 53.201 1.00 86.74 C ATOM 619 O MET A 511 -18.674 95.398 52.523 1.00 86.59 O ATOM 620 CB MET A 511 -19.092 94.130 55.295 1.00 87.33 C ATOM 621 CG MET A 511 -19.904 92.893 54.903 1.00 87.60 C ATOM 622 SD MET A 511 -19.211 91.335 55.471 1.00 87.90 S ATOM 623 CE MET A 511 -18.938 91.697 57.205 1.00 88.35 C ATOM 624 N GLY A 512 -20.936 95.469 52.661 1.00 86.09 N ATOM 625 CA GLY A 512 -21.174 95.268 51.222 1.00 85.54 C ATOM 626 C GLY A 512 -21.562 93.836 50.866 1.00 84.99 C ATOM 627 O GLY A 512 -21.827 93.509 49.707 1.00 84.82 O ATOM 628 N MET A 513 -21.590 92.978 51.879 1.00 84.30 N ATOM 629 CA MET A 513 -22.084 91.626 51.744 1.00 83.67 C ATOM 630 C MET A 513 -23.590 91.654 52.029 1.00 82.99 C ATOM 631 O MET A 513 -24.211 90.603 52.231 1.00 83.22 O ATOM 632 CB MET A 513 -21.352 90.695 52.724 1.00 83.58 C ATOM 633 N GLY A 514 -24.172 92.858 52.043 1.00 81.89 N ATOM 634 CA GLY A 514 -25.592 93.031 52.292 1.00 81.09 C ATOM 635 C GLY A 514 -26.446 92.320 51.266 1.00 80.29 C ATOM 636 O GLY A 514 -27.094 91.315 51.578 1.00 80.43 O ATOM 637 N ASP A 515 -26.440 92.828 50.036 1.00 79.24 N ATOM 638 CA ASP A 515 -27.210 92.200 48.949 1.00 78.47 C ATOM 639 C ASP A 515 -26.766 90.754 48.614 1.00 77.47 C ATOM 640 O ASP A 515 -27.548 90.005 48.028 1.00 77.47 O ATOM 641 CB ASP A 515 -27.250 93.080 47.681 1.00 78.49 C ATOM 642 CG ASP A 515 -25.894 93.664 47.312 1.00 79.17 C ATOM 643 OD1 ASP A 515 -25.217 94.228 48.206 1.00 79.85 O ATOM 644 OD2 ASP A 515 -25.520 93.580 46.120 1.00 80.19 O ATOM 645 N LEU A 516 -25.542 90.362 48.990 1.00 76.12 N ATOM 646 CA LEU A 516 -25.108 88.962 48.857 1.00 75.12 C ATOM 647 C LEU A 516 -25.783 88.063 49.902 1.00 74.31 C ATOM 648 O LEU A 516 -26.679 87.287 49.564 1.00 74.19 O ATOM 649 CB LEU A 516 -23.577 88.815 48.935 1.00 74.95 C ATOM 650 CG LEU A 516 -23.032 87.386 48.747 1.00 74.43 C ATOM 651 CD1 LEU A 516 -23.668 86.699 47.544 1.00 73.48 C ATOM 652 CD2 LEU A 516 -21.518 87.368 48.614 1.00 73.29 C ATOM 653 N LEU A 517 -25.375 88.175 51.165 1.00 73.24 N ATOM 654 CA LEU A 517 -25.918 87.305 52.211 1.00 72.39 C ATOM 655 C LEU A 517 -27.447 87.366 52.241 1.00 71.58 C ATOM 656 O LEU A 517 -28.093 86.397 52.640 1.00 71.72 O ATOM 657 CB LEU A 517 -25.324 87.645 53.582 1.00 72.27 C ATOM 658 N SER A 518 -28.017 88.490 51.805 1.00 70.62 N ATOM 659 CA SER A 518 -29.471 88.630 51.660 1.00 69.82 C ATOM 660 C SER A 518 -30.044 87.923 50.434 1.00 69.05 C ATOM 661 O SER A 518 -31.201 87.503 50.432 1.00 69.22 O ATOM 662 N ALA A 519 -29.242 87.824 49.377 1.00 68.35 N ATOM 663 CA ALA A 519 -29.580 86.987 48.219 1.00 67.60 C ATOM 664 C ALA A 519 -29.388 85.516 48.583 1.00 66.79 C ATOM 665 O ALA A 519 -30.222 84.678 48.239 1.00 66.81 O ATOM 666 CB ALA A 519 -28.722 87.353 47.005 1.00 67.44 C ATOM 667 N MET A 520 -28.292 85.222 49.284 1.00 65.77 N ATOM 668 CA MET A 520 -28.016 83.878 49.780 1.00 65.38 C ATOM 669 C MET A 520 -29.116 83.368 50.724 1.00 64.90 C ATOM 670 O MET A 520 -29.415 82.174 50.736 1.00 64.80 O ATOM 671 CB MET A 520 -26.664 83.823 50.502 1.00 65.58 C ATOM 672 CG MET A 520 -25.456 84.237 49.652 1.00 66.24 C ATOM 673 SD MET A 520 -23.885 83.460 50.128 1.00 68.91 S ATOM 674 CE MET A 520 -23.998 83.377 51.916 1.00 68.30 C ATOM 675 N PHE A 521 -29.712 84.267 51.510 1.00 64.32 N ATOM 676 CA PHE A 521 -30.828 83.905 52.397 1.00 63.70 C ATOM 677 C PHE A 521 -32.055 83.494 51.583 1.00 62.75 C ATOM 678 O PHE A 521 -32.672 82.464 51.863 1.00 62.85 O ATOM 679 CB PHE A 521 -31.180 85.058 53.363 1.00 63.88 C ATOM 680 CG PHE A 521 -32.461 84.833 54.169 1.00 64.82 C ATOM 681 CD1 PHE A 521 -32.465 84.011 55.291 1.00 65.17 C ATOM 682 CD2 PHE A 521 -33.657 85.453 53.802 1.00 65.92 C ATOM 683 N ASP A 522 -32.405 84.288 50.576 1.00 61.58 N ATOM 684 CA ASP A 522 -33.612 84.016 49.796 1.00 60.82 C ATOM 685 C ASP A 522 -33.467 82.720 48.976 1.00 60.01 C ATOM 686 O ASP A 522 -34.420 81.939 48.873 1.00 60.25 O ATOM 687 CB ASP A 522 -33.958 85.201 48.886 1.00 60.91 C ATOM 688 CG ASP A 522 -34.146 86.506 49.658 1.00 61.07 C ATOM 689 N PHE A 523 -32.279 82.490 48.407 1.00 58.63 N ATOM 690 CA PHE A 523 -32.015 81.263 47.659 1.00 57.44 C ATOM 691 C PHE A 523 -32.180 80.043 48.555 1.00 57.22 C ATOM 692 O PHE A 523 -32.828 79.075 48.184 1.00 57.20 O ATOM 693 CB PHE A 523 -30.604 81.262 47.057 1.00 56.86 C ATOM 694 CG PHE A 523 -30.249 79.971 46.368 1.00 54.71 C ATOM 695 CD1 PHE A 523 -30.780 79.663 45.121 1.00 52.54 C ATOM 696 CD2 PHE A 523 -29.405 79.048 46.975 1.00 53.22 C ATOM 697 CE1 PHE A 523 -30.463 78.474 44.485 1.00 51.24 C ATOM 698 CE2 PHE A 523 -29.089 77.848 46.345 1.00 51.69 C ATOM 699 CZ PHE A 523 -29.618 77.566 45.100 1.00 51.47 C ATOM 700 N SER A 524 -31.592 80.104 49.740 1.00 56.97 N ATOM 701 CA SER A 524 -31.608 78.977 50.667 1.00 57.11 C ATOM 702 C SER A 524 -33.003 78.665 51.184 1.00 56.78 C ATOM 703 O SER A 524 -33.348 77.499 51.379 1.00 56.74 O ATOM 704 CB SER A 524 -30.686 79.265 51.834 1.00 57.21 C ATOM 705 OG SER A 524 -29.437 79.710 51.332 1.00 58.31 O ATOM 706 N GLU A 525 -33.793 79.713 51.409 1.00 56.27 N ATOM 707 CA GLU A 525 -35.194 79.556 51.739 1.00 55.63 C ATOM 708 C GLU A 525 -35.800 78.668 50.682 1.00 55.16 C ATOM 709 O GLU A 525 -36.366 77.627 51.004 1.00 55.42 O ATOM 710 CB GLU A 525 -35.910 80.910 51.762 1.00 55.96 C ATOM 711 N LYS A 526 -35.652 79.067 49.419 1.00 54.49 N ATOM 712 CA LYS A 526 -36.163 78.275 48.294 1.00 54.18 C ATOM 713 C LYS A 526 -35.655 76.831 48.320 1.00 53.08 C ATOM 714 O LYS A 526 -36.418 75.888 48.129 1.00 52.46 O ATOM 715 CB LYS A 526 -35.807 78.920 46.946 1.00 54.55 C ATOM 716 CG LYS A 526 -37.031 79.427 46.168 1.00 56.80 C ATOM 717 CD LYS A 526 -36.691 79.819 44.713 1.00 58.94 C ATOM 718 CE LYS A 526 -35.682 80.974 44.669 1.00 60.02 C ATOM 719 NZ LYS A 526 -35.649 81.653 43.348 1.00 61.48 N ATOM 720 N LEU A 527 -34.364 76.671 48.569 1.00 51.92 N ATOM 721 CA LEU A 527 -33.759 75.366 48.542 1.00 51.45 C ATOM 722 C LEU A 527 -34.336 74.483 49.633 1.00 51.41 C ATOM 723 O LEU A 527 -34.599 73.308 49.399 1.00 51.45 O ATOM 724 CB LEU A 527 -32.249 75.491 48.701 1.00 51.43 C ATOM 725 CG LEU A 527 -31.425 74.217 48.514 1.00 51.29 C ATOM 726 CD1 LEU A 527 -31.597 73.673 47.099 1.00 50.85 C ATOM 727 CD2 LEU A 527 -29.946 74.483 48.843 1.00 50.93 C ATOM 728 N ASN A 528 -34.559 75.053 50.814 1.00 51.40 N ATOM 729 CA ASN A 528 -35.020 74.274 51.968 1.00 51.53 C ATOM 730 C ASN A 528 -36.483 73.832 51.836 1.00 50.67 C ATOM 731 O ASN A 528 -36.906 72.860 52.476 1.00 51.05 O ATOM 732 CB ASN A 528 -34.796 75.045 53.284 1.00 52.02 C ATOM 733 CG ASN A 528 -33.309 75.385 53.533 1.00 54.63 C ATOM 734 OD1 ASN A 528 -32.479 75.317 52.617 1.00 57.97 O ATOM 735 ND2 ASN A 528 -32.978 75.770 54.769 1.00 56.59 N ATOM 736 N SER A 529 -37.251 74.522 50.998 1.00 49.51 N ATOM 737 CA SER A 529 -38.650 74.155 50.769 1.00 48.68 C ATOM 738 C SER A 529 -38.765 72.778 50.122 1.00 47.63 C ATOM 739 O SER A 529 -39.727 72.049 50.368 1.00 47.90 O ATOM 740 CB SER A 529 -39.335 75.190 49.885 1.00 48.75 C ATOM 741 OG SER A 529 -38.681 75.279 48.629 1.00 50.20 O ATOM 742 N LEU A 530 -37.775 72.429 49.299 1.00 46.33 N ATOM 743 CA LEU A 530 -37.674 71.092 48.702 1.00 45.00 C ATOM 744 C LEU A 530 -37.447 69.994 49.744 1.00 43.99 C ATOM 745 O LEU A 530 -37.752 68.829 49.494 1.00 43.79 O ATOM 746 CB LEU A 530 -36.528 71.051 47.686 1.00 44.95 C ATOM 747 CG LEU A 530 -36.655 71.958 46.471 1.00 44.48 C ATOM 748 CD1 LEU A 530 -35.359 71.958 45.701 1.00 43.78 C ATOM 749 CD2 LEU A 530 -37.823 71.508 45.611 1.00 44.77 C ATOM 750 N ALA A 531 -36.900 70.368 50.898 1.00 42.91 N ATOM 751 CA ALA A 531 -36.546 69.421 51.960 1.00 42.18 C ATOM 752 C ALA A 531 -35.684 68.251 51.449 1.00 41.17 C ATOM 753 O ALA A 531 -35.996 67.088 51.682 1.00 41.21 O ATOM 754 CB ALA A 531 -37.805 68.911 52.691 1.00 41.99 C ATOM 755 N LEU A 532 -34.588 68.570 50.771 1.00 40.21 N ATOM 756 CA LEU A 532 -33.687 67.544 50.272 1.00 39.72 C ATOM 757 C LEU A 532 -33.088 66.721 51.411 1.00 39.64 C ATOM 758 O LEU A 532 -32.696 67.283 52.429 1.00 39.88 O ATOM 759 CB LEU A 532 -32.543 68.175 49.481 1.00 39.40 C ATOM 760 CG LEU A 532 -32.851 69.021 48.243 1.00 38.94 C ATOM 761 CD1 LEU A 532 -31.520 69.350 47.546 1.00 38.19 C ATOM 762 CD2 LEU A 532 -33.835 68.327 47.282 1.00 36.43 C ATOM 763 N THR A 533 -33.004 65.402 51.231 1.00 39.54 N ATOM 764 CA THR A 533 -32.245 64.535 52.142 1.00 39.43 C ATOM 765 C THR A 533 -30.776 64.826 51.928 1.00 40.00 C ATOM 766 O THR A 533 -30.433 65.581 51.019 1.00 39.86 O ATOM 767 CB THR A 533 -32.492 63.032 51.880 1.00 39.39 C ATOM 768 OG1 THR A 533 -31.987 62.668 50.591 1.00 39.10 O ATOM 769 CG2 THR A 533 -33.975 62.698 51.943 1.00 38.85 C ATOM 770 N GLU A 534 -29.905 64.231 52.744 1.00 40.85 N ATOM 771 CA GLU A 534 -28.457 64.475 52.614 1.00 41.67 C ATOM 772 C GLU A 534 -27.908 63.876 51.331 1.00 41.25 C ATOM 773 O GLU A 534 -27.032 64.466 50.715 1.00 41.67 O ATOM 774 CB GLU A 534 -27.654 63.938 53.811 1.00 42.32 C ATOM 775 CG GLU A 534 -27.636 64.878 55.015 1.00 45.31 C ATOM 776 CD GLU A 534 -26.549 65.953 54.949 1.00 49.08 C ATOM 777 OE1 GLU A 534 -25.340 65.596 54.985 1.00 51.48 O ATOM 778 OE2 GLU A 534 -26.913 67.159 54.906 1.00 50.66 O ATOM 779 N GLU A 535 -28.399 62.705 50.938 1.00 40.61 N ATOM 780 CA GLU A 535 -28.023 62.131 49.649 1.00 40.23 C ATOM 781 C GLU A 535 -28.425 63.036 48.489 1.00 39.38 C ATOM 782 O GLU A 535 -27.640 63.230 47.561 1.00 39.10 O ATOM 783 CB GLU A 535 -28.665 60.769 49.438 1.00 40.44 C ATOM 784 CG GLU A 535 -28.032 59.669 50.238 1.00 42.37 C ATOM 785 CD GLU A 535 -28.756 58.344 50.068 1.00 45.60 C ATOM 786 OE1 GLU A 535 -30.017 58.343 49.962 1.00 46.82 O ATOM 787 OE2 GLU A 535 -28.058 57.303 50.043 1.00 48.05 O ATOM 788 N GLU A 536 -29.649 63.562 48.535 1.00 38.17 N ATOM 789 CA GLU A 536 -30.150 64.418 47.466 1.00 37.48 C ATOM 790 C GLU A 536 -29.304 65.687 47.390 1.00 36.89 C ATOM 791 O GLU A 536 -28.835 66.079 46.322 1.00 36.41 O ATOM 792 CB GLU A 536 -31.641 64.748 47.684 1.00 37.69 C ATOM 793 CG GLU A 536 -32.561 63.517 47.528 1.00 37.97 C ATOM 794 CD GLU A 536 -34.049 63.778 47.761 1.00 37.89 C ATOM 795 OE1 GLU A 536 -34.432 64.759 48.431 1.00 37.54 O ATOM 796 OE2 GLU A 536 -34.855 62.961 47.281 1.00 37.71 O ATOM 797 N LEU A 537 -29.083 66.306 48.541 1.00 36.25 N ATOM 798 CA LEU A 537 -28.275 67.525 48.617 1.00 35.99 C ATOM 799 C LEU A 537 -26.824 67.287 48.150 1.00 35.70 C ATOM 800 O LEU A 537 -26.257 68.094 47.390 1.00 35.76 O ATOM 801 CB LEU A 537 -28.308 68.079 50.044 1.00 35.82 C ATOM 802 CG LEU A 537 -27.577 69.379 50.337 1.00 35.44 C ATOM 803 CD1 LEU A 537 -28.272 70.528 49.619 1.00 34.97 C ATOM 804 CD2 LEU A 537 -27.509 69.583 51.848 1.00 33.10 C ATOM 805 N GLY A 538 -26.231 66.187 48.596 1.00 35.25 N ATOM 806 CA GLY A 538 -24.859 65.850 48.207 1.00 35.33 C ATOM 807 C GLY A 538 -24.713 65.717 46.701 1.00 35.30 C ATOM 808 O GLY A 538 -23.779 66.229 46.096 1.00 35.72 O ATOM 809 N LEU A 539 -25.679 65.046 46.097 1.00 35.08 N ATOM 810 CA LEU A 539 -25.652 64.737 44.694 1.00 34.83 C ATOM 811 C LEU A 539 -26.061 65.981 43.901 1.00 34.35 C ATOM 812 O LEU A 539 -25.530 66.244 42.817 1.00 34.19 O ATOM 813 CB LEU A 539 -26.588 63.551 44.433 1.00 35.10 C ATOM 814 CG LEU A 539 -26.415 62.757 43.139 1.00 36.77 C ATOM 815 CD1 LEU A 539 -24.946 62.547 42.775 1.00 37.83 C ATOM 816 CD2 LEU A 539 -27.117 61.431 43.247 1.00 38.05 C ATOM 817 N PHE A 540 -26.988 66.763 44.447 1.00 33.56 N ATOM 818 CA PHE A 540 -27.302 68.049 43.845 1.00 33.14 C ATOM 819 C PHE A 540 -26.049 68.916 43.833 1.00 32.57 C ATOM 820 O PHE A 540 -25.690 69.480 42.811 1.00 32.93 O ATOM 821 CB PHE A 540 -28.459 68.757 44.566 1.00 33.15 C ATOM 822 CG PHE A 540 -28.730 70.145 44.055 1.00 33.54 C ATOM 823 CD1 PHE A 540 -29.158 70.352 42.756 1.00 34.83 C ATOM 824 CD2 PHE A 540 -28.526 71.254 44.863 1.00 35.22 C ATOM 825 CE1 PHE A 540 -29.405 71.649 42.274 1.00 35.19 C ATOM 826 CE2 PHE A 540 -28.761 72.541 44.389 1.00 35.33 C ATOM 827 CZ PHE A 540 -29.205 72.735 43.095 1.00 34.79 C ATOM 828 N THR A 541 -25.362 69.005 44.960 1.00 32.04 N ATOM 829 CA THR A 541 -24.161 69.836 45.045 1.00 31.35 C ATOM 830 C THR A 541 -23.138 69.480 43.955 1.00 31.42 C ATOM 831 O THR A 541 -22.575 70.374 43.319 1.00 31.70 O ATOM 832 CB THR A 541 -23.541 69.722 46.441 1.00 31.19 C ATOM 833 OG1 THR A 541 -24.510 70.179 47.379 1.00 30.66 O ATOM 834 CG2 THR A 541 -22.261 70.541 46.561 1.00 28.79 C ATOM 835 N ALA A 542 -22.928 68.181 43.743 1.00 31.31 N ATOM 836 CA ALA A 542 -22.018 67.664 42.714 1.00 30.92 C ATOM 837 C ALA A 542 -22.521 68.050 41.345 1.00 30.84 C ATOM 838 O ALA A 542 -21.733 68.407 40.476 1.00 30.84 O ATOM 839 CB ALA A 542 -21.905 66.155 42.822 1.00 30.46 C ATOM 840 N VAL A 543 -23.838 67.995 41.151 1.00 31.03 N ATOM 841 CA VAL A 543 -24.411 68.363 39.867 1.00 31.24 C ATOM 842 C VAL A 543 -24.101 69.831 39.590 1.00 32.25 C ATOM 843 O VAL A 543 -23.698 70.169 38.485 1.00 33.00 O ATOM 844 CB VAL A 543 -25.921 68.084 39.776 1.00 31.00 C ATOM 845 CG1 VAL A 543 -26.550 68.898 38.643 1.00 30.77 C ATOM 846 CG2 VAL A 543 -26.174 66.617 39.567 1.00 29.95 C ATOM 847 N VAL A 544 -24.246 70.685 40.601 1.00 33.09 N ATOM 848 CA VAL A 544 -23.949 72.113 40.466 1.00 33.70 C ATOM 849 C VAL A 544 -22.495 72.363 40.008 1.00 34.97 C ATOM 850 O VAL A 544 -22.261 73.114 39.049 1.00 35.61 O ATOM 851 CB VAL A 544 -24.270 72.878 41.784 1.00 33.56 C ATOM 852 CG1 VAL A 544 -23.712 74.298 41.750 1.00 32.61 C ATOM 853 CG2 VAL A 544 -25.774 72.907 42.011 1.00 32.98 C ATOM 854 N LEU A 545 -21.532 71.714 40.658 1.00 36.00 N ATOM 855 CA LEU A 545 -20.126 71.878 40.308 1.00 36.99 C ATOM 856 C LEU A 545 -19.835 71.542 38.862 1.00 38.15 C ATOM 857 O LEU A 545 -19.079 72.261 38.209 1.00 38.91 O ATOM 858 CB LEU A 545 -19.230 70.998 41.185 1.00 37.31 C ATOM 859 CG LEU A 545 -17.738 70.989 40.810 1.00 37.34 C ATOM 860 CD1 LEU A 545 -17.209 72.423 40.507 1.00 36.98 C ATOM 861 CD2 LEU A 545 -16.946 70.329 41.920 1.00 36.81 C ATOM 862 N VAL A 546 -20.402 70.443 38.363 1.00 39.26 N ATOM 863 CA VAL A 546 -20.076 69.984 36.999 1.00 39.93 C ATOM 864 C VAL A 546 -21.034 70.586 35.975 1.00 40.83 C ATOM 865 O VAL A 546 -20.913 70.323 34.789 1.00 41.06 O ATOM 866 CB VAL A 546 -20.036 68.423 36.871 1.00 39.87 C ATOM 867 CG1 VAL A 546 -19.188 67.814 37.981 1.00 38.38 C ATOM 868 CG2 VAL A 546 -21.449 67.815 36.862 1.00 40.21 C ATOM 869 N SER A 547 -21.975 71.396 36.445 1.00 41.99 N ATOM 870 CA SER A 547 -22.934 72.077 35.579 1.00 42.73 C ATOM 871 C SER A 547 -22.525 73.516 35.382 1.00 44.05 C ATOM 872 O SER A 547 -23.306 74.303 34.879 1.00 43.99 O ATOM 873 CB SER A 547 -24.346 72.027 36.184 1.00 42.43 C ATOM 874 OG SER A 547 -24.837 70.700 36.191 1.00 41.22 O ATOM 875 N ALA A 548 -21.299 73.855 35.781 1.00 46.12 N ATOM 876 CA ALA A 548 -20.748 75.199 35.601 1.00 47.55 C ATOM 877 C ALA A 548 -20.557 75.537 34.118 1.00 49.23 C ATOM 878 O ALA A 548 -20.494 74.646 33.267 1.00 49.39 O ATOM 879 CB ALA A 548 -19.420 75.308 36.334 1.00 47.56 C ATOM 880 N ASP A 549 -20.464 76.830 33.813 1.00 51.26 N ATOM 881 CA ASP A 549 -20.196 77.285 32.451 1.00 52.97 C ATOM 882 C ASP A 549 -18.890 76.689 31.888 1.00 53.97 C ATOM 883 O ASP A 549 -17.846 76.721 32.548 1.00 53.80 O ATOM 884 CB ASP A 549 -20.127 78.812 32.416 1.00 53.53 C ATOM 885 CG ASP A 549 -19.824 79.344 31.026 1.00 55.49 C ATOM 886 OD1 ASP A 549 -20.779 79.527 30.233 1.00 58.32 O ATOM 887 OD2 ASP A 549 -18.626 79.554 30.728 1.00 58.07 O ATOM 888 N ARG A 550 -18.955 76.158 30.666 1.00 55.28 N ATOM 889 CA ARG A 550 -17.829 75.411 30.088 1.00 56.23 C ATOM 890 C ARG A 550 -16.947 76.218 29.128 1.00 57.10 C ATOM 891 O ARG A 550 -16.222 75.621 28.310 1.00 57.19 O ATOM 892 CB ARG A 550 -18.342 74.189 29.331 1.00 56.26 C ATOM 893 CG ARG A 550 -19.037 73.182 30.180 1.00 57.08 C ATOM 894 CD ARG A 550 -19.488 72.016 29.330 1.00 58.26 C ATOM 895 NE ARG A 550 -20.652 71.365 29.916 1.00 59.99 N ATOM 896 CZ ARG A 550 -21.590 70.712 29.232 1.00 61.66 C ATOM 897 NH1 ARG A 550 -22.598 70.167 29.890 1.00 62.55 N ATOM 898 NH2 ARG A 550 -21.537 70.596 27.905 1.00 61.69 N ATOM 899 N SER A 551 -17.001 77.550 29.193 1.00 57.91 N ATOM 900 CA SER A 551 -16.087 78.341 28.369 1.00 58.70 C ATOM 901 C SER A 551 -14.683 77.938 28.796 1.00 58.95 C ATOM 902 O SER A 551 -14.348 78.033 29.978 1.00 59.33 O ATOM 903 CB SER A 551 -16.301 79.855 28.531 1.00 58.87 C ATOM 904 OG SER A 551 -16.186 80.262 29.889 1.00 60.05 O ATOM 905 N GLY A 552 -13.903 77.418 27.847 1.00 59.08 N ATOM 906 CA GLY A 552 -12.495 77.069 28.072 1.00 58.90 C ATOM 907 C GLY A 552 -12.180 75.586 28.175 1.00 59.00 C ATOM 908 O GLY A 552 -11.054 75.222 28.532 1.00 59.24 O ATOM 909 N MET A 553 -13.144 74.720 27.856 1.00 58.83 N ATOM 910 CA MET A 553 -12.951 73.283 28.062 1.00 58.71 C ATOM 911 C MET A 553 -12.077 72.686 26.975 1.00 58.55 C ATOM 912 O MET A 553 -12.339 72.891 25.794 1.00 58.84 O ATOM 913 CB MET A 553 -14.291 72.528 28.106 1.00 58.71 C ATOM 914 CG MET A 553 -15.003 72.594 29.444 1.00 58.85 C ATOM 915 SD MET A 553 -14.031 72.059 30.875 1.00 58.72 S ATOM 916 CE MET A 553 -14.876 72.999 32.143 1.00 57.69 C ATOM 917 N GLU A 554 -11.050 71.939 27.378 1.00 58.18 N ATOM 918 CA GLU A 554 -10.280 71.139 26.434 1.00 58.08 C ATOM 919 C GLU A 554 -11.169 70.046 25.859 1.00 57.75 C ATOM 920 O GLU A 554 -11.314 69.948 24.638 1.00 58.26 O ATOM 921 CB GLU A 554 -9.035 70.537 27.083 1.00 58.30 C ATOM 922 CG GLU A 554 -7.911 71.548 27.264 1.00 59.37 C ATOM 923 CD GLU A 554 -6.762 71.016 28.098 1.00 61.35 C ATOM 924 OE1 GLU A 554 -6.915 69.935 28.715 1.00 63.20 O ATOM 925 OE2 GLU A 554 -5.705 71.688 28.142 1.00 62.39 O ATOM 926 N ASN A 555 -11.775 69.235 26.728 1.00 56.98 N ATOM 927 CA ASN A 555 -12.793 68.290 26.281 1.00 55.97 C ATOM 928 C ASN A 555 -14.149 68.511 26.949 1.00 55.22 C ATOM 929 O ASN A 555 -14.488 67.852 27.927 1.00 55.43 O ATOM 930 CB ASN A 555 -12.335 66.849 26.464 1.00 55.78 C ATOM 931 CG ASN A 555 -13.188 65.879 25.666 1.00 56.20 C ATOM 932 OD1 ASN A 555 -13.996 66.299 24.831 1.00 56.99 O ATOM 933 ND2 ASN A 555 -13.012 64.583 25.904 1.00 55.81 N ATOM 934 N SER A 556 -14.929 69.426 26.385 1.00 54.11 N ATOM 935 CA SER A 556 -16.284 69.698 26.849 1.00 53.34 C ATOM 936 C SER A 556 -17.225 68.480 26.816 1.00 52.39 C ATOM 937 O SER A 556 -18.133 68.383 27.631 1.00 52.17 O ATOM 938 CB SER A 556 -16.890 70.825 26.019 1.00 53.48 C ATOM 939 OG SER A 556 -17.919 71.498 26.735 1.00 54.86 O ATOM 940 N ALA A 557 -17.021 67.557 25.884 1.00 51.49 N ATOM 941 CA ALA A 557 -17.843 66.340 25.835 1.00 50.99 C ATOM 942 C ALA A 557 -17.667 65.450 27.080 1.00 50.50 C ATOM 943 O ALA A 557 -18.621 64.836 27.564 1.00 50.52 O ATOM 944 CB ALA A 557 -17.555 65.540 24.567 1.00 50.75 C ATOM 945 N SER A 558 -16.447 65.374 27.597 1.00 49.82 N ATOM 946 CA SER A 558 -16.190 64.556 28.781 1.00 49.16 C ATOM 947 C SER A 558 -16.865 65.162 30.016 1.00 48.54 C ATOM 948 O SER A 558 -17.367 64.435 30.878 1.00 47.62 O ATOM 949 CB SER A 558 -14.687 64.407 29.007 1.00 48.95 C ATOM 950 OG SER A 558 -14.067 65.679 29.130 1.00 49.36 O ATOM 951 N VAL A 559 -16.861 66.495 30.088 1.00 48.30 N ATOM 952 CA VAL A 559 -17.525 67.208 31.174 1.00 48.16 C ATOM 953 C VAL A 559 -19.008 66.943 31.096 1.00 48.19 C ATOM 954 O VAL A 559 -19.663 66.741 32.107 1.00 48.29 O ATOM 955 CB VAL A 559 -17.282 68.727 31.124 1.00 48.13 C ATOM 956 CG1 VAL A 559 -18.234 69.462 32.090 1.00 47.78 C ATOM 957 CG2 VAL A 559 -15.831 69.035 31.449 1.00 47.52 C ATOM 958 N GLU A 560 -19.529 66.909 29.880 1.00 48.17 N ATOM 959 CA GLU A 560 -20.938 66.676 29.700 1.00 48.15 C ATOM 960 C GLU A 560 -21.365 65.237 30.020 1.00 47.19 C ATOM 961 O GLU A 560 -22.429 65.021 30.595 1.00 47.11 O ATOM 962 CB GLU A 560 -21.366 67.062 28.295 1.00 48.68 C ATOM 963 CG GLU A 560 -22.869 67.120 28.171 1.00 51.27 C ATOM 964 CD GLU A 560 -23.333 67.468 26.796 1.00 55.60 C ATOM 965 OE1 GLU A 560 -22.534 68.077 26.030 1.00 58.05 O ATOM 966 OE2 GLU A 560 -24.511 67.130 26.494 1.00 58.47 O ATOM 967 N GLN A 561 -20.568 64.250 29.661 1.00 46.41 N ATOM 968 CA GLN A 561 -20.916 62.879 30.030 1.00 46.36 C ATOM 969 C GLN A 561 -20.993 62.718 31.543 1.00 44.91 C ATOM 970 O GLN A 561 -21.824 61.968 32.056 1.00 44.58 O ATOM 971 CB GLN A 561 -19.912 61.890 29.450 1.00 47.13 C ATOM 972 CG GLN A 561 -20.054 61.738 27.942 1.00 51.05 C ATOM 973 CD GLN A 561 -19.079 60.732 27.333 1.00 56.36 C ATOM 974 OE1 GLN A 561 -18.516 59.865 28.032 1.00 59.86 O ATOM 975 NE2 GLN A 561 -18.882 60.839 26.011 1.00 59.37 N ATOM 976 N LEU A 562 -20.120 63.437 32.243 1.00 43.60 N ATOM 977 CA LEU A 562 -20.072 63.415 33.698 1.00 42.65 C ATOM 978 C LEU A 562 -21.319 64.083 34.288 1.00 41.88 C ATOM 979 O LEU A 562 -21.938 63.560 35.219 1.00 41.79 O ATOM 980 CB LEU A 562 -18.806 64.120 34.186 1.00 42.50 C ATOM 981 CG LEU A 562 -18.572 64.170 35.693 1.00 42.91 C ATOM 982 CD1 LEU A 562 -18.539 62.746 36.276 1.00 41.90 C ATOM 983 CD2 LEU A 562 -17.297 64.956 36.010 1.00 42.09 C ATOM 984 N GLN A 563 -21.686 65.235 33.737 1.00 40.80 N ATOM 985 CA GLN A 563 -22.898 65.920 34.140 1.00 40.18 C ATOM 986 C GLN A 563 -24.105 64.997 34.018 1.00 39.75 C ATOM 987 O GLN A 563 -24.908 64.894 34.950 1.00 40.17 O ATOM 988 CB GLN A 563 -23.114 67.174 33.293 1.00 40.10 C ATOM 989 CG GLN A 563 -24.269 68.047 33.780 1.00 40.33 C ATOM 990 CD GLN A 563 -24.649 69.147 32.804 1.00 39.93 C ATOM 991 OE1 GLN A 563 -25.081 70.230 33.206 1.00 39.28 O ATOM 992 NE2 GLN A 563 -24.515 68.865 31.520 1.00 39.53 N ATOM 993 N GLU A 564 -24.222 64.320 32.876 1.00 39.15 N ATOM 994 CA GLU A 564 -25.368 63.450 32.595 1.00 38.39 C ATOM 995 C GLU A 564 -25.391 62.247 33.541 1.00 38.04 C ATOM 996 O GLU A 564 -26.463 61.834 34.009 1.00 37.70 O ATOM 997 CB GLU A 564 -25.354 62.987 31.133 1.00 38.09 C ATOM 998 N THR A 565 -24.213 61.692 33.828 1.00 37.51 N ATOM 999 CA THR A 565 -24.112 60.597 34.786 1.00 37.21 C ATOM 1000 C THR A 565 -24.694 61.017 36.120 1.00 36.96 C ATOM 1001 O THR A 565 -25.487 60.270 36.708 1.00 37.42 O ATOM 1002 CB THR A 565 -22.654 60.112 34.970 1.00 37.28 C ATOM 1003 OG1 THR A 565 -22.264 59.335 33.832 1.00 38.00 O ATOM 1004 CG2 THR A 565 -22.518 59.240 36.201 1.00 37.40 C ATOM 1005 N LEU A 566 -24.324 62.215 36.580 1.00 36.53 N ATOM 1006 CA LEU A 566 -24.728 62.698 37.900 1.00 36.17 C ATOM 1007 C LEU A 566 -26.206 63.054 37.948 1.00 36.37 C ATOM 1008 O LEU A 566 -26.885 62.779 38.936 1.00 35.99 O ATOM 1009 CB LEU A 566 -23.882 63.897 38.319 1.00 36.07 C ATOM 1010 CG LEU A 566 -22.406 63.629 38.636 1.00 35.82 C ATOM 1011 CD1 LEU A 566 -21.685 64.953 38.751 1.00 35.51 C ATOM 1012 CD2 LEU A 566 -22.210 62.774 39.901 1.00 33.82 C ATOM 1013 N LEU A 567 -26.706 63.653 36.873 1.00 37.09 N ATOM 1014 CA LEU A 567 -28.129 63.967 36.761 1.00 37.43 C ATOM 1015 C LEU A 567 -28.953 62.702 36.646 1.00 38.10 C ATOM 1016 O LEU A 567 -30.090 62.668 37.051 1.00 38.34 O ATOM 1017 CB LEU A 567 -28.388 64.844 35.543 1.00 37.27 C ATOM 1018 CG LEU A 567 -27.767 66.235 35.585 1.00 37.38 C ATOM 1019 CD1 LEU A 567 -27.721 66.841 34.177 1.00 36.92 C ATOM 1020 CD2 LEU A 567 -28.524 67.134 36.568 1.00 36.38 C ATOM 1021 N ARG A 568 -28.384 61.660 36.071 1.00 39.41 N ATOM 1022 CA ARG A 568 -29.085 60.389 35.960 1.00 40.75 C ATOM 1023 C ARG A 568 -29.307 59.809 37.362 1.00 40.40 C ATOM 1024 O ARG A 568 -30.409 59.376 37.700 1.00 40.24 O ATOM 1025 CB ARG A 568 -28.268 59.431 35.084 1.00 41.65 C ATOM 1026 CG ARG A 568 -28.930 58.077 34.767 1.00 46.04 C ATOM 1027 CD ARG A 568 -27.946 57.122 34.025 1.00 51.37 C ATOM 1028 NE ARG A 568 -26.724 56.860 34.812 1.00 55.86 N ATOM 1029 CZ ARG A 568 -25.766 55.985 34.482 1.00 58.54 C ATOM 1030 NH1 ARG A 568 -25.870 55.253 33.373 1.00 59.28 N ATOM 1031 NH2 ARG A 568 -24.697 55.834 35.276 1.00 58.93 N ATOM 1032 N ALA A 569 -28.251 59.828 38.173 1.00 40.07 N ATOM 1033 CA ALA A 569 -28.303 59.312 39.523 1.00 39.92 C ATOM 1034 C ALA A 569 -29.275 60.119 40.367 1.00 40.21 C ATOM 1035 O ALA A 569 -30.099 59.545 41.088 1.00 40.15 O ATOM 1036 CB ALA A 569 -26.939 59.352 40.134 1.00 39.99 C ATOM 1037 N LEU A 570 -29.181 61.449 40.258 1.00 40.13 N ATOM 1038 CA LEU A 570 -30.044 62.361 41.011 1.00 39.79 C ATOM 1039 C LEU A 570 -31.517 62.120 40.725 1.00 39.92 C ATOM 1040 O LEU A 570 -32.356 62.213 41.616 1.00 39.83 O ATOM 1041 CB LEU A 570 -29.688 63.818 40.695 1.00 39.47 C ATOM 1042 CG LEU A 570 -30.410 64.908 41.500 1.00 38.18 C ATOM 1043 CD1 LEU A 570 -30.238 64.696 43.001 1.00 35.82 C ATOM 1044 CD2 LEU A 570 -29.904 66.280 41.081 1.00 36.06 C ATOM 1045 N ARG A 571 -31.825 61.805 39.477 1.00 40.55 N ATOM 1046 CA ARG A 571 -33.199 61.565 39.064 1.00 41.15 C ATOM 1047 C ARG A 571 -33.703 60.248 39.641 1.00 41.20 C ATOM 1048 O ARG A 571 -34.819 60.160 40.159 1.00 41.75 O ATOM 1049 CB ARG A 571 -33.270 61.539 37.553 1.00 41.50 C ATOM 1050 CG ARG A 571 -34.661 61.676 36.963 1.00 44.08 C ATOM 1051 CD ARG A 571 -34.540 61.763 35.441 1.00 47.79 C ATOM 1052 NE ARG A 571 -35.835 61.689 34.771 1.00 51.70 N ATOM 1053 CZ ARG A 571 -36.562 60.578 34.616 1.00 54.52 C ATOM 1054 NH1 ARG A 571 -36.149 59.407 35.108 1.00 55.93 N ATOM 1055 NH2 ARG A 571 -37.733 60.641 33.983 1.00 55.42 N ATOM 1056 N ALA A 572 -32.883 59.216 39.542 1.00 41.24 N ATOM 1057 CA ALA A 572 -33.193 57.970 40.189 1.00 41.35 C ATOM 1058 C ALA A 572 -33.474 58.273 41.659 1.00 41.65 C ATOM 1059 O ALA A 572 -34.567 58.024 42.134 1.00 41.79 O ATOM 1060 CB ALA A 572 -32.043 56.994 40.040 1.00 41.15 C ATOM 1061 N LEU A 573 -32.507 58.865 42.355 1.00 42.28 N ATOM 1062 CA LEU A 573 -32.604 59.071 43.812 1.00 42.65 C ATOM 1063 C LEU A 573 -33.888 59.771 44.182 1.00 43.16 C ATOM 1064 O LEU A 573 -34.625 59.314 45.046 1.00 43.51 O ATOM 1065 CB LEU A 573 -31.414 59.883 44.348 1.00 42.51 C ATOM 1066 CG LEU A 573 -31.299 60.065 45.871 1.00 42.50 C ATOM 1067 CD1 LEU A 573 -31.501 58.746 46.611 1.00 41.20 C ATOM 1068 CD2 LEU A 573 -29.949 60.683 46.222 1.00 40.93 C ATOM 1069 N VAL A 574 -34.158 60.873 43.504 1.00 43.57 N ATOM 1070 CA VAL A 574 -35.324 61.665 43.796 1.00 44.04 C ATOM 1071 C VAL A 574 -36.624 60.909 43.551 1.00 44.89 C ATOM 1072 O VAL A 574 -37.605 61.169 44.228 1.00 45.30 O ATOM 1073 CB VAL A 574 -35.293 62.978 42.994 1.00 43.93 C ATOM 1074 CG1 VAL A 574 -36.653 63.516 42.811 1.00 44.21 C ATOM 1075 CG2 VAL A 574 -34.419 64.001 43.709 1.00 43.82 C ATOM 1076 N LEU A 575 -36.647 59.979 42.598 1.00 46.06 N ATOM 1077 CA LEU A 575 -37.887 59.251 42.271 1.00 46.85 C ATOM 1078 C LEU A 575 -38.121 58.012 43.136 1.00 47.31 C ATOM 1079 O LEU A 575 -39.263 57.595 43.330 1.00 47.40 O ATOM 1080 CB LEU A 575 -37.934 58.874 40.791 1.00 47.19 C ATOM 1081 CG LEU A 575 -38.597 59.921 39.889 1.00 48.59 C ATOM 1082 CD1 LEU A 575 -38.249 59.640 38.432 1.00 50.31 C ATOM 1083 CD2 LEU A 575 -40.120 59.964 40.082 1.00 48.74 C ATOM 1084 N LYS A 576 -37.046 57.417 43.634 1.00 48.03 N ATOM 1085 CA LYS A 576 -37.135 56.402 44.686 1.00 48.80 C ATOM 1086 C LYS A 576 -37.695 57.049 45.957 1.00 48.93 C ATOM 1087 O LYS A 576 -38.520 56.452 46.650 1.00 49.73 O ATOM 1088 CB LYS A 576 -35.749 55.776 44.948 1.00 49.03 C ATOM 1089 CG LYS A 576 -35.665 54.788 46.138 1.00 50.50 C ATOM 1090 CD LYS A 576 -35.030 55.407 47.411 1.00 51.73 C ATOM 1091 CE LYS A 576 -34.854 54.365 48.538 1.00 52.06 C ATOM 1092 N ASN A 577 -37.258 58.277 46.236 1.00 48.92 N ATOM 1093 CA ASN A 577 -37.605 58.980 47.472 1.00 48.73 C ATOM 1094 C ASN A 577 -39.033 59.497 47.474 1.00 49.01 C ATOM 1095 O ASN A 577 -39.763 59.260 48.438 1.00 49.29 O ATOM 1096 CB ASN A 577 -36.626 60.142 47.738 1.00 48.58 C ATOM 1097 CG ASN A 577 -35.342 59.693 48.421 1.00 47.60 C ATOM 1098 OD1 ASN A 577 -35.219 58.557 48.826 1.00 47.13 O ATOM 1099 ND2 ASN A 577 -34.389 60.601 48.558 1.00 47.84 N ATOM 1100 N ARG A 578 -39.424 60.213 46.416 1.00 49.31 N ATOM 1101 CA ARG A 578 -40.771 60.792 46.315 1.00 49.64 C ATOM 1102 C ARG A 578 -41.426 60.567 44.943 1.00 49.91 C ATOM 1103 O ARG A 578 -41.503 61.499 44.130 1.00 50.02 O ATOM 1104 CB ARG A 578 -40.739 62.284 46.630 1.00 49.63 C ATOM 1105 CG ARG A 578 -39.991 62.648 47.900 1.00 50.64 C ATOM 1106 CD ARG A 578 -40.478 63.983 48.480 1.00 52.09 C ATOM 1107 NE ARG A 578 -41.770 63.828 49.161 1.00 53.47 N ATOM 1108 CZ ARG A 578 -42.857 64.592 49.000 1.00 54.04 C ATOM 1109 NH1 ARG A 578 -42.871 65.639 48.175 1.00 54.66 N ATOM 1110 NH2 ARG A 578 -43.951 64.310 49.704 1.00 54.33 N ATOM 1111 N PRO A 579 -41.929 59.334 44.693 1.00 50.34 N ATOM 1112 CA PRO A 579 -42.575 58.953 43.413 1.00 50.54 C ATOM 1113 C PRO A 579 -43.781 59.802 42.946 1.00 50.90 C ATOM 1114 O PRO A 579 -44.015 59.933 41.738 1.00 51.30 O ATOM 1115 CB PRO A 579 -43.005 57.506 43.659 1.00 50.45 C ATOM 1116 CG PRO A 579 -42.070 57.002 44.699 1.00 50.44 C ATOM 1117 CD PRO A 579 -41.748 58.164 45.580 1.00 50.26 C ATOM 1118 N LEU A 580 -44.537 60.376 43.871 1.00 51.07 N ATOM 1119 CA LEU A 580 -45.701 61.160 43.475 1.00 51.43 C ATOM 1120 C LEU A 580 -45.369 62.630 43.145 1.00 51.57 C ATOM 1121 O LEU A 580 -46.112 63.295 42.386 1.00 51.82 O ATOM 1122 CB LEU A 580 -46.793 61.066 44.540 1.00 51.50 C ATOM 1123 CG LEU A 580 -47.222 59.632 44.910 1.00 52.26 C ATOM 1124 CD1 LEU A 580 -48.636 59.662 45.520 1.00 52.37 C ATOM 1125 CD2 LEU A 580 -47.155 58.639 43.732 1.00 50.69 C ATOM 1126 N GLU A 581 -44.281 63.152 43.710 1.00 51.11 N ATOM 1127 CA GLU A 581 -43.828 64.476 43.323 1.00 50.83 C ATOM 1128 C GLU A 581 -42.925 64.298 42.102 1.00 50.12 C ATOM 1129 O GLU A 581 -41.714 64.073 42.241 1.00 50.78 O ATOM 1130 CB GLU A 581 -43.097 65.180 44.467 1.00 51.03 C ATOM 1131 CG GLU A 581 -42.973 66.695 44.251 1.00 52.21 C ATOM 1132 CD GLU A 581 -41.894 67.348 45.106 1.00 54.49 C ATOM 1133 OE1 GLU A 581 -41.214 66.625 45.881 1.00 55.60 O ATOM 1134 OE2 GLU A 581 -41.722 68.588 45.001 1.00 55.26 O ATOM 1135 N THR A 582 -43.519 64.372 40.911 1.00 48.85 N ATOM 1136 CA THR A 582 -42.782 64.120 39.666 1.00 47.81 C ATOM 1137 C THR A 582 -42.034 65.356 39.161 1.00 46.82 C ATOM 1138 O THR A 582 -41.148 65.237 38.325 1.00 47.64 O ATOM 1139 CB THR A 582 -43.711 63.541 38.561 1.00 47.90 C ATOM 1140 OG1 THR A 582 -44.990 64.169 38.637 1.00 46.78 O ATOM 1141 CG2 THR A 582 -43.895 62.018 38.741 1.00 47.72 C ATOM 1142 N SER A 583 -42.364 66.532 39.687 1.00 45.38 N ATOM 1143 CA SER A 583 -41.621 67.757 39.378 1.00 44.31 C ATOM 1144 C SER A 583 -40.511 68.059 40.397 1.00 43.09 C ATOM 1145 O SER A 583 -39.928 69.153 40.390 1.00 42.71 O ATOM 1146 CB SER A 583 -42.580 68.940 39.376 1.00 44.56 C ATOM 1147 OG SER A 583 -43.011 69.207 40.706 1.00 44.65 O ATOM 1148 N ARG A 584 -40.240 67.111 41.290 1.00 41.64 N ATOM 1149 CA ARG A 584 -39.214 67.298 42.309 1.00 40.64 C ATOM 1150 C ARG A 584 -37.877 67.516 41.652 1.00 39.02 C ATOM 1151 O ARG A 584 -37.155 68.424 41.994 1.00 38.95 O ATOM 1152 CB ARG A 584 -39.134 66.083 43.234 1.00 40.90 C ATOM 1153 CG ARG A 584 -38.065 66.196 44.320 1.00 41.79 C ATOM 1154 CD ARG A 584 -38.228 65.110 45.390 1.00 43.45 C ATOM 1155 NE ARG A 584 -37.310 65.292 46.523 1.00 44.32 N ATOM 1156 CZ ARG A 584 -37.473 66.176 47.509 1.00 43.18 C ATOM 1157 NH1 ARG A 584 -38.526 66.987 47.537 1.00 41.61 N ATOM 1158 NH2 ARG A 584 -36.571 66.240 48.480 1.00 43.81 N ATOM 1159 N PHE A 585 -37.551 66.659 40.707 1.00 37.86 N ATOM 1160 CA PHE A 585 -36.311 66.780 39.963 1.00 37.01 C ATOM 1161 C PHE A 585 -36.322 68.053 39.115 1.00 36.83 C ATOM 1162 O PHE A 585 -35.294 68.701 38.927 1.00 36.44 O ATOM 1163 CB PHE A 585 -36.133 65.543 39.086 1.00 36.67 C ATOM 1164 CG PHE A 585 -34.858 65.524 38.323 1.00 35.46 C ATOM 1165 CD1 PHE A 585 -33.659 65.262 38.972 1.00 33.30 C ATOM 1166 CD2 PHE A 585 -34.848 65.781 36.956 1.00 34.10 C ATOM 1167 CE1 PHE A 585 -32.478 65.245 38.277 1.00 32.44 C ATOM 1168 CE2 PHE A 585 -33.665 65.766 36.257 1.00 33.70 C ATOM 1169 CZ PHE A 585 -32.471 65.491 36.923 1.00 32.92 C ATOM 1170 N THR A 586 -37.501 68.404 38.613 1.00 36.95 N ATOM 1171 CA THR A 586 -37.683 69.631 37.843 1.00 37.10 C ATOM 1172 C THR A 586 -37.354 70.847 38.689 1.00 37.87 C ATOM 1173 O THR A 586 -36.618 71.714 38.235 1.00 38.21 O ATOM 1174 CB THR A 586 -39.111 69.733 37.276 1.00 36.71 C ATOM 1175 OG1 THR A 586 -39.375 68.560 36.497 1.00 36.70 O ATOM 1176 CG2 THR A 586 -39.268 70.949 36.416 1.00 35.37 C ATOM 1177 N LYS A 587 -37.874 70.904 39.916 1.00 38.62 N ATOM 1178 CA LYS A 587 -37.592 72.030 40.817 1.00 39.44 C ATOM 1179 C LYS A 587 -36.100 72.189 41.121 1.00 39.51 C ATOM 1180 O LYS A 587 -35.579 73.315 41.135 1.00 39.71 O ATOM 1181 CB LYS A 587 -38.336 71.871 42.136 1.00 40.09 C ATOM 1182 CG LYS A 587 -39.850 72.021 42.041 1.00 42.20 C ATOM 1183 CD LYS A 587 -40.500 71.637 43.376 1.00 45.56 C ATOM 1184 CE LYS A 587 -41.949 71.152 43.189 1.00 48.62 C ATOM 1185 NZ LYS A 587 -42.714 70.965 44.492 1.00 50.60 N ATOM 1186 N LEU A 588 -35.424 71.065 41.361 1.00 39.25 N ATOM 1187 CA LEU A 588 -33.983 71.060 41.574 1.00 39.24 C ATOM 1188 C LEU A 588 -33.220 71.599 40.377 1.00 39.09 C ATOM 1189 O LEU A 588 -32.330 72.432 40.524 1.00 39.34 O ATOM 1190 CB LEU A 588 -33.487 69.647 41.895 1.00 39.37 C ATOM 1191 CG LEU A 588 -33.581 69.281 43.374 1.00 39.67 C ATOM 1192 CD1 LEU A 588 -33.378 67.779 43.586 1.00 39.25 C ATOM 1193 CD2 LEU A 588 -32.563 70.111 44.160 1.00 38.98 C ATOM 1194 N LEU A 589 -33.547 71.106 39.193 1.00 38.98 N ATOM 1195 CA LEU A 589 -32.950 71.637 37.971 1.00 39.22 C ATOM 1196 C LEU A 589 -33.206 73.144 37.768 1.00 38.86 C ATOM 1197 O LEU A 589 -32.439 73.808 37.075 1.00 38.34 O ATOM 1198 CB LEU A 589 -33.447 70.866 36.732 1.00 39.55 C ATOM 1199 CG LEU A 589 -32.909 69.449 36.516 1.00 40.26 C ATOM 1200 CD1 LEU A 589 -33.604 68.808 35.309 1.00 40.21 C ATOM 1201 CD2 LEU A 589 -31.409 69.469 36.338 1.00 39.63 C ATOM 1202 N LEU A 590 -34.288 73.671 38.349 1.00 38.98 N ATOM 1203 CA LEU A 590 -34.607 75.108 38.228 1.00 38.93 C ATOM 1204 C LEU A 590 -33.737 75.982 39.132 1.00 38.67 C ATOM 1205 O LEU A 590 -33.704 77.208 38.982 1.00 39.17 O ATOM 1206 CB LEU A 590 -36.093 75.379 38.510 1.00 38.92 C ATOM 1207 CG LEU A 590 -37.114 74.953 37.444 1.00 39.06 C ATOM 1208 CD1 LEU A 590 -38.506 75.273 37.978 1.00 39.21 C ATOM 1209 CD2 LEU A 590 -36.883 75.610 36.096 1.00 36.37 C ATOM 1210 N LYS A 591 -33.022 75.360 40.062 1.00 38.31 N ATOM 1211 CA LYS A 591 -32.091 76.090 40.906 1.00 37.84 C ATOM 1212 C LYS A 591 -30.859 76.504 40.115 1.00 37.57 C ATOM 1213 O LYS A 591 -30.134 77.377 40.539 1.00 37.87 O ATOM 1214 CB LYS A 591 -31.694 75.243 42.104 1.00 37.53 C ATOM 1215 CG LYS A 591 -32.879 74.788 42.954 1.00 38.38 C ATOM 1216 CD LYS A 591 -33.529 75.933 43.735 1.00 38.82 C ATOM 1217 CE LYS A 591 -34.937 75.587 44.168 1.00 39.12 C ATOM 1218 NZ LYS A 591 -35.876 75.576 42.994 1.00 39.93 N ATOM 1219 N LEU A 592 -30.629 75.898 38.959 1.00 37.41 N ATOM 1220 CA LEU A 592 -29.405 76.148 38.221 1.00 37.65 C ATOM 1221 C LEU A 592 -29.319 77.537 37.606 1.00 38.19 C ATOM 1222 O LEU A 592 -28.279 78.169 37.732 1.00 38.18 O ATOM 1223 CB LEU A 592 -29.179 75.084 37.151 1.00 37.45 C ATOM 1224 CG LEU A 592 -28.948 73.649 37.631 1.00 37.93 C ATOM 1225 CD1 LEU A 592 -28.636 72.780 36.405 1.00 40.22 C ATOM 1226 CD2 LEU A 592 -27.841 73.518 38.677 1.00 36.85 C ATOM 1227 N PRO A 593 -30.391 78.008 36.922 1.00 39.20 N ATOM 1228 CA PRO A 593 -30.398 79.381 36.412 1.00 39.39 C ATOM 1229 C PRO A 593 -30.253 80.384 37.533 1.00 39.91 C ATOM 1230 O PRO A 593 -29.530 81.377 37.364 1.00 40.60 O ATOM 1231 CB PRO A 593 -31.787 79.535 35.770 1.00 39.50 C ATOM 1232 CG PRO A 593 -32.287 78.175 35.536 1.00 39.57 C ATOM 1233 CD PRO A 593 -31.643 77.301 36.576 1.00 39.61 C ATOM 1234 N ASP A 594 -30.934 80.124 38.656 1.00 39.91 N ATOM 1235 CA ASP A 594 -30.830 80.967 39.855 1.00 40.25 C ATOM 1236 C ASP A 594 -29.373 81.098 40.299 1.00 40.08 C ATOM 1237 O ASP A 594 -28.892 82.210 40.603 1.00 40.54 O ATOM 1238 CB ASP A 594 -31.634 80.389 41.029 1.00 40.34 C ATOM 1239 CG ASP A 594 -33.112 80.242 40.725 1.00 41.69 C ATOM 1240 OD1 ASP A 594 -33.605 80.923 39.798 1.00 44.39 O ATOM 1241 OD2 ASP A 594 -33.788 79.454 41.430 1.00 43.26 O ATOM 1242 N LEU A 595 -28.679 79.962 40.342 1.00 39.33 N ATOM 1243 CA LEU A 595 -27.291 79.940 40.785 1.00 38.97 C ATOM 1244 C LEU A 595 -26.415 80.699 39.807 1.00 39.23 C ATOM 1245 O LEU A 595 -25.508 81.400 40.217 1.00 39.04 O ATOM 1246 CB LEU A 595 -26.792 78.507 40.983 1.00 38.39 C ATOM 1247 CG LEU A 595 -27.237 77.875 42.303 1.00 37.21 C ATOM 1248 CD1 LEU A 595 -26.995 76.388 42.269 1.00 35.95 C ATOM 1249 CD2 LEU A 595 -26.514 78.506 43.475 1.00 35.85 C ATOM 1250 N ARG A 596 -26.704 80.583 38.519 1.00 39.70 N ATOM 1251 CA ARG A 596 -25.971 81.346 37.518 1.00 40.36 C ATOM 1252 C ARG A 596 -26.165 82.844 37.747 1.00 40.81 C ATOM 1253 O ARG A 596 -25.226 83.635 37.598 1.00 40.59 O ATOM 1254 CB ARG A 596 -26.453 80.997 36.121 1.00 40.53 C ATOM 1255 CG ARG A 596 -25.343 80.913 35.121 1.00 41.80 C ATOM 1256 CD ARG A 596 -24.589 79.582 35.215 1.00 43.32 C ATOM 1257 NE ARG A 596 -24.273 79.080 33.875 1.00 44.98 N ATOM 1258 CZ ARG A 596 -24.182 77.796 33.544 1.00 47.75 C ATOM 1259 NH1 ARG A 596 -24.386 76.851 34.452 1.00 49.42 N ATOM 1260 NH2 ARG A 596 -23.894 77.443 32.293 1.00 49.39 N ATOM 1261 N THR A 597 -27.383 83.237 38.120 1.00 41.06 N ATOM 1262 CA THR A 597 -27.663 84.644 38.364 1.00 41.40 C ATOM 1263 C THR A 597 -26.955 85.132 39.617 1.00 41.44 C ATOM 1264 O THR A 597 -26.286 86.153 39.565 1.00 41.79 O ATOM 1265 CB THR A 597 -29.181 84.953 38.431 1.00 41.58 C ATOM 1266 OG1 THR A 597 -29.737 84.866 37.118 1.00 42.93 O ATOM 1267 CG2 THR A 597 -29.438 86.347 38.940 1.00 40.33 C ATOM 1268 N LEU A 598 -27.094 84.422 40.732 1.00 41.80 N ATOM 1269 CA LEU A 598 -26.390 84.809 41.963 1.00 42.03 C ATOM 1270 C LEU A 598 -24.901 84.943 41.633 1.00 42.67 C ATOM 1271 O LEU A 598 -24.239 85.912 42.010 1.00 42.10 O ATOM 1272 CB LEU A 598 -26.588 83.776 43.074 1.00 41.90 C ATOM 1273 CG LEU A 598 -27.979 83.558 43.681 1.00 41.77 C ATOM 1274 CD1 LEU A 598 -28.036 82.272 44.517 1.00 41.38 C ATOM 1275 CD2 LEU A 598 -28.338 84.721 44.543 1.00 41.49 C ATOM 1276 N ASN A 599 -24.394 83.968 40.886 1.00 43.70 N ATOM 1277 CA ASN A 599 -23.007 83.965 40.476 1.00 44.51 C ATOM 1278 C ASN A 599 -22.662 85.228 39.683 1.00 45.74 C ATOM 1279 O ASN A 599 -21.735 85.963 40.042 1.00 45.77 O ATOM 1280 CB ASN A 599 -22.690 82.711 39.663 1.00 44.22 C ATOM 1281 CG ASN A 599 -21.240 82.620 39.298 1.00 43.65 C ATOM 1282 OD1 ASN A 599 -20.400 83.261 39.909 1.00 42.95 O ATOM 1283 ND2 ASN A 599 -20.934 81.826 38.300 1.00 44.54 N ATOM 1284 N ASN A 600 -23.426 85.488 38.624 1.00 47.02 N ATOM 1285 CA ASN A 600 -23.139 86.607 37.730 1.00 47.83 C ATOM 1286 C ASN A 600 -23.236 87.973 38.456 1.00 48.47 C ATOM 1287 O ASN A 600 -22.549 88.922 38.082 1.00 48.88 O ATOM 1288 CB ASN A 600 -24.025 86.522 36.458 1.00 47.94 C ATOM 1289 CG ASN A 600 -23.669 85.283 35.531 1.00 48.81 C ATOM 1290 OD1 ASN A 600 -22.572 84.692 35.624 1.00 48.31 O ATOM 1291 ND2 ASN A 600 -24.607 84.908 34.645 1.00 46.29 N ATOM 1292 N MET A 601 -24.023 88.050 39.528 1.00 48.98 N ATOM 1293 CA MET A 601 -24.175 89.292 40.300 1.00 49.67 C ATOM 1294 C MET A 601 -23.208 89.508 41.475 1.00 49.23 C ATOM 1295 O MET A 601 -22.835 90.645 41.765 1.00 49.34 O ATOM 1296 CB MET A 601 -25.582 89.361 40.872 1.00 50.30 C ATOM 1297 CG MET A 601 -26.634 89.349 39.819 1.00 53.39 C ATOM 1298 SD MET A 601 -28.234 89.774 40.511 1.00 60.73 S ATOM 1299 CE MET A 601 -28.230 91.570 40.251 1.00 61.44 C ATOM 1300 N HIS A 602 -22.828 88.436 42.165 1.00 48.61 N ATOM 1301 CA HIS A 602 -22.131 88.569 43.441 1.00 48.25 C ATOM 1302 C HIS A 602 -20.695 88.052 43.495 1.00 48.30 C ATOM 1303 O HIS A 602 -19.991 88.334 44.462 1.00 48.67 O ATOM 1304 CB HIS A 602 -22.944 87.894 44.533 1.00 48.00 C ATOM 1305 CG HIS A 602 -24.307 88.467 44.688 1.00 47.67 C ATOM 1306 ND1 HIS A 602 -24.522 89.806 44.914 1.00 48.13 N ATOM 1307 CD2 HIS A 602 -25.527 87.889 44.644 1.00 47.97 C ATOM 1308 CE1 HIS A 602 -25.819 90.029 45.011 1.00 48.38 C ATOM 1309 NE2 HIS A 602 -26.451 88.882 44.851 1.00 48.06 N ATOM 1310 N SER A 603 -20.238 87.320 42.485 1.00 48.25 N ATOM 1311 CA SER A 603 -18.875 86.783 42.519 1.00 48.30 C ATOM 1312 C SER A 603 -17.828 87.889 42.493 1.00 48.63 C ATOM 1313 O SER A 603 -16.662 87.651 42.793 1.00 48.86 O ATOM 1314 CB SER A 603 -18.642 85.829 41.355 1.00 48.19 C ATOM 1315 OG SER A 603 -19.026 86.428 40.143 1.00 47.46 O ATOM 1316 N GLU A 604 -18.255 89.091 42.129 1.00 48.95 N ATOM 1317 CA GLU A 604 -17.379 90.237 42.082 1.00 49.47 C ATOM 1318 C GLU A 604 -17.348 91.008 43.415 1.00 49.04 C ATOM 1319 O GLU A 604 -16.630 92.006 43.522 1.00 49.32 O ATOM 1320 CB GLU A 604 -17.795 91.159 40.928 1.00 50.03 C ATOM 1321 CG GLU A 604 -16.650 91.534 39.979 1.00 52.77 C ATOM 1322 CD GLU A 604 -16.243 90.381 39.054 1.00 57.21 C ATOM 1323 OE1 GLU A 604 -16.402 90.538 37.816 1.00 60.10 O ATOM 1324 OE2 GLU A 604 -15.783 89.317 39.554 1.00 59.87 O ATOM 1325 N LYS A 605 -18.100 90.561 44.426 1.00 48.37 N ATOM 1326 CA LYS A 605 -18.011 91.170 45.766 1.00 47.86 C ATOM 1327 C LYS A 605 -16.565 91.159 46.274 1.00 47.02 C ATOM 1328 O LYS A 605 -15.844 90.188 46.066 1.00 46.60 O ATOM 1329 CB LYS A 605 -18.901 90.442 46.787 1.00 47.89 C ATOM 1330 CG LYS A 605 -20.400 90.696 46.652 1.00 48.97 C ATOM 1331 CD LYS A 605 -20.765 92.161 46.422 1.00 50.44 C ATOM 1332 CE LYS A 605 -22.273 92.399 46.580 1.00 51.15 C ATOM 1333 NZ LYS A 605 -22.687 92.351 48.025 1.00 51.45 N ATOM 1334 N LEU A 606 -16.165 92.243 46.942 1.00 46.34 N ATOM 1335 CA LEU A 606 -14.802 92.393 47.457 1.00 45.66 C ATOM 1336 C LEU A 606 -14.620 91.647 48.753 1.00 45.40 C ATOM 1337 O LEU A 606 -15.447 91.742 49.640 1.00 45.44 O ATOM 1338 CB LEU A 606 -14.454 93.862 47.707 1.00 45.35 C ATOM 1339 CG LEU A 606 -14.124 94.734 46.495 1.00 44.90 C ATOM 1340 CD1 LEU A 606 -13.817 96.133 46.999 1.00 44.52 C ATOM 1341 CD2 LEU A 606 -12.972 94.182 45.660 1.00 42.79 C ATOM 1342 N LEU A 607 -13.529 90.904 48.844 1.00 45.29 N ATOM 1343 CA LEU A 607 -13.043 90.406 50.106 1.00 45.45 C ATOM 1344 C LEU A 607 -11.907 91.301 50.582 1.00 45.92 C ATOM 1345 O LEU A 607 -11.407 92.141 49.842 1.00 45.72 O ATOM 1346 CB LEU A 607 -12.561 88.965 49.946 1.00 45.38 C ATOM 1347 CG LEU A 607 -13.645 87.962 49.541 1.00 44.91 C ATOM 1348 CD1 LEU A 607 -13.136 86.554 49.795 1.00 44.40 C ATOM 1349 CD2 LEU A 607 -14.959 88.204 50.292 1.00 43.79 C ATOM 1350 N SER A 608 -11.505 91.115 51.827 1.00 46.74 N ATOM 1351 CA SER A 608 -10.477 91.945 52.434 1.00 47.57 C ATOM 1352 C SER A 608 -9.567 91.113 53.313 1.00 48.24 C ATOM 1353 O SER A 608 -10.047 90.360 54.162 1.00 48.40 O ATOM 1354 CB SER A 608 -11.132 93.023 53.283 1.00 47.63 C ATOM 1355 OG SER A 608 -10.176 93.962 53.714 1.00 48.21 O ATOM 1356 N PHE A 609 -8.260 91.249 53.120 1.00 49.12 N ATOM 1357 CA PHE A 609 -7.290 90.503 53.916 1.00 50.05 C ATOM 1358 C PHE A 609 -6.213 91.439 54.411 1.00 51.15 C ATOM 1359 O PHE A 609 -5.582 92.120 53.614 1.00 51.29 O ATOM 1360 CB PHE A 609 -6.660 89.378 53.089 1.00 50.00 C ATOM 1361 CG PHE A 609 -7.654 88.371 52.605 1.00 49.57 C ATOM 1362 CD1 PHE A 609 -8.061 87.340 53.430 1.00 48.44 C ATOM 1363 CD2 PHE A 609 -8.219 88.482 51.332 1.00 49.62 C ATOM 1364 CE1 PHE A 609 -9.001 86.419 52.997 1.00 48.70 C ATOM 1365 CE2 PHE A 609 -9.163 87.565 50.890 1.00 49.17 C ATOM 1366 CZ PHE A 609 -9.552 86.528 51.725 1.00 48.96 C ATOM 1367 N ARG A 610 -5.999 91.460 55.722 1.00 52.69 N ATOM 1368 CA ARG A 610 -4.981 92.318 56.310 1.00 54.17 C ATOM 1369 C ARG A 610 -3.609 91.893 55.807 1.00 54.91 C ATOM 1370 O ARG A 610 -3.183 90.766 56.036 1.00 55.31 O ATOM 1371 CB ARG A 610 -5.024 92.271 57.846 1.00 54.59 C ATOM 1372 CG ARG A 610 -4.275 93.442 58.531 1.00 55.91 C ATOM 1373 CD ARG A 610 -4.381 93.371 60.053 1.00 57.57 C ATOM 1374 NE ARG A 610 -5.770 93.342 60.518 1.00 58.61 N ATOM 1375 N VAL A 611 -2.944 92.793 55.087 1.00 55.80 N ATOM 1376 CA VAL A 611 -1.604 92.553 54.606 1.00 56.50 C ATOM 1377 C VAL A 611 -0.671 92.787 55.784 1.00 57.31 C ATOM 1378 O VAL A 611 -0.045 91.846 56.300 1.00 58.06 O ATOM 1379 CB VAL A 611 -1.237 93.498 53.453 1.00 56.51 C ATOM 1380 CG1 VAL A 611 0.280 93.513 53.229 1.00 56.77 C ATOM 1381 CG2 VAL A 611 -1.971 93.094 52.185 1.00 56.69 C TER 1382 VAL A 611 ATOM 1383 N THR B2045 -2.209 97.568 56.519 1.00 48.84 N ATOM 1384 CA THR B2045 -2.844 97.696 55.175 1.00 48.64 C ATOM 1385 C THR B2045 -3.631 96.431 54.842 1.00 48.20 C ATOM 1386 O THR B2045 -3.599 95.450 55.589 1.00 48.04 O ATOM 1387 CB THR B2045 -1.796 97.997 54.070 1.00 48.74 C ATOM 1388 OG1 THR B2045 -0.731 97.040 54.134 1.00 49.41 O ATOM 1389 CG2 THR B2045 -1.212 99.405 54.248 1.00 49.18 C ATOM 1390 N HIS B2046 -4.359 96.475 53.733 1.00 47.88 N ATOM 1391 CA HIS B2046 -5.213 95.370 53.330 1.00 47.62 C ATOM 1392 C HIS B2046 -5.082 95.102 51.861 1.00 47.33 C ATOM 1393 O HIS B2046 -4.834 96.012 51.072 1.00 47.00 O ATOM 1394 CB HIS B2046 -6.680 95.671 53.619 1.00 47.67 C ATOM 1395 CG HIS B2046 -7.014 95.668 55.070 1.00 48.39 C ATOM 1396 ND1 HIS B2046 -6.511 96.603 55.948 1.00 49.53 N ATOM 1397 CD2 HIS B2046 -7.799 94.845 55.802 1.00 48.97 C ATOM 1398 CE1 HIS B2046 -6.971 96.354 57.162 1.00 49.82 C ATOM 1399 NE2 HIS B2046 -7.756 95.293 57.101 1.00 48.97 N ATOM 1400 N ARG B2047 -5.257 93.829 51.520 1.00 47.15 N ATOM 1401 CA ARG B2047 -5.479 93.387 50.154 1.00 47.05 C ATOM 1402 C ARG B2047 -6.988 93.276 49.910 1.00 45.87 C ATOM 1403 O ARG B2047 -7.699 92.550 50.630 1.00 45.60 O ATOM 1404 CB ARG B2047 -4.831 92.012 49.939 1.00 47.77 C ATOM 1405 CG ARG B2047 -3.507 92.018 49.191 1.00 50.64 C ATOM 1406 CD ARG B2047 -2.817 90.636 49.235 1.00 54.50 C ATOM 1407 NE ARG B2047 -3.746 89.496 49.328 1.00 57.80 N ATOM 1408 CZ ARG B2047 -4.557 89.068 48.344 1.00 61.01 C ATOM 1409 NH1 ARG B2047 -4.595 89.701 47.162 1.00 61.66 N ATOM 1410 NH2 ARG B2047 -5.352 87.999 48.541 1.00 61.07 N ATOM 1411 N LEU B2048 -7.473 94.000 48.905 1.00 44.69 N ATOM 1412 CA LEU B2048 -8.875 93.905 48.481 1.00 43.94 C ATOM 1413 C LEU B2048 -8.935 93.103 47.197 1.00 43.36 C ATOM 1414 O LEU B2048 -8.318 93.458 46.189 1.00 43.59 O ATOM 1415 CB LEU B2048 -9.508 95.284 48.291 1.00 43.79 C ATOM 1416 CG LEU B2048 -9.542 96.163 49.554 1.00 43.53 C ATOM 1417 CD1 LEU B2048 -9.908 97.580 49.192 1.00 42.64 C ATOM 1418 CD2 LEU B2048 -10.488 95.609 50.604 1.00 42.76 C ATOM 1419 N ILE B2049 -9.671 91.997 47.259 1.00 42.75 N ATOM 1420 CA ILE B2049 -9.707 91.000 46.187 1.00 41.49 C ATOM 1421 C ILE B2049 -11.148 90.527 46.017 1.00 40.71 C ATOM 1422 O ILE B2049 -11.840 90.268 46.999 1.00 40.68 O ATOM 1423 CB ILE B2049 -8.717 89.820 46.493 1.00 41.24 C ATOM 1424 CG1 ILE B2049 -8.575 88.888 45.282 1.00 41.15 C ATOM 1425 CG2 ILE B2049 -9.123 89.067 47.757 1.00 40.63 C ATOM 1426 CD1 ILE B2049 -7.403 87.903 45.377 1.00 40.56 C ATOM 1427 N THR B2050 -11.614 90.453 44.774 1.00 40.01 N ATOM 1428 CA THR B2050 -12.959 89.947 44.505 1.00 39.28 C ATOM 1429 C THR B2050 -13.091 88.492 44.913 1.00 39.04 C ATOM 1430 O THR B2050 -12.127 87.725 44.886 1.00 38.39 O ATOM 1431 CB THR B2050 -13.361 90.079 43.040 1.00 39.08 C ATOM 1432 OG1 THR B2050 -12.441 89.337 42.227 1.00 38.94 O ATOM 1433 CG2 THR B2050 -13.388 91.547 42.632 1.00 37.52 C ATOM 1434 N LEU B2051 -14.303 88.139 45.310 1.00 39.27 N ATOM 1435 CA LEU B2051 -14.618 86.794 45.761 1.00 39.79 C ATOM 1436 C LEU B2051 -14.278 85.794 44.664 1.00 39.81 C ATOM 1437 O LEU B2051 -13.747 84.727 44.932 1.00 39.71 O ATOM 1438 CB LEU B2051 -16.091 86.730 46.144 1.00 39.98 C ATOM 1439 CG LEU B2051 -16.726 85.413 46.577 1.00 41.37 C ATOM 1440 CD1 LEU B2051 -15.812 84.524 47.442 1.00 41.28 C ATOM 1441 CD2 LEU B2051 -17.994 85.806 47.331 1.00 42.05 C ATOM 1442 N ALA B2052 -14.546 86.172 43.417 1.00 40.17 N ATOM 1443 CA ALA B2052 -14.167 85.354 42.265 1.00 40.25 C ATOM 1444 C ALA B2052 -12.635 85.164 42.155 1.00 40.44 C ATOM 1445 O ALA B2052 -12.154 84.045 41.949 1.00 40.62 O ATOM 1446 CB ALA B2052 -14.735 85.965 40.983 1.00 39.97 C ATOM 1447 N ASP B2053 -11.869 86.247 42.294 1.00 40.59 N ATOM 1448 CA ASP B2053 -10.414 86.162 42.136 1.00 40.61 C ATOM 1449 C ASP B2053 -9.786 85.384 43.284 1.00 40.14 C ATOM 1450 O ASP B2053 -8.821 84.660 43.069 1.00 40.68 O ATOM 1451 CB ASP B2053 -9.771 87.550 42.004 1.00 41.07 C ATOM 1452 CG ASP B2053 -10.074 88.228 40.655 1.00 42.95 C ATOM 1453 OD1 ASP B2053 -10.369 87.517 39.658 1.00 45.54 O ATOM 1454 OD2 ASP B2053 -10.011 89.485 40.592 1.00 44.78 O ATOM 1455 N HIS B2054 -10.342 85.505 44.487 1.00 39.50 N ATOM 1456 CA HIS B2054 -9.882 84.712 45.635 1.00 39.11 C ATOM 1457 C HIS B2054 -10.085 83.212 45.392 1.00 39.48 C ATOM 1458 O HIS B2054 -9.231 82.386 45.744 1.00 39.45 O ATOM 1459 CB HIS B2054 -10.609 85.159 46.914 1.00 38.80 C ATOM 1460 CG HIS B2054 -10.095 84.516 48.161 1.00 37.68 C ATOM 1461 ND1 HIS B2054 -8.758 84.511 48.499 1.00 36.17 N ATOM 1462 CD2 HIS B2054 -10.738 83.858 49.156 1.00 36.80 C ATOM 1463 CE1 HIS B2054 -8.598 83.862 49.640 1.00 36.56 C ATOM 1464 NE2 HIS B2054 -9.785 83.464 50.065 1.00 36.15 N ATOM 1465 N ILE B2055 -11.218 82.872 44.776 1.00 39.95 N ATOM 1466 CA ILE B2055 -11.553 81.491 44.481 1.00 39.95 C ATOM 1467 C ILE B2055 -10.545 80.895 43.511 1.00 40.61 C ATOM 1468 O ILE B2055 -10.049 79.802 43.749 1.00 40.85 O ATOM 1469 CB ILE B2055 -13.016 81.354 43.957 1.00 39.88 C ATOM 1470 CG1 ILE B2055 -13.996 81.497 45.125 1.00 39.58 C ATOM 1471 CG2 ILE B2055 -13.256 80.000 43.258 1.00 38.80 C ATOM 1472 CD1 ILE B2055 -15.456 81.524 44.723 1.00 38.36 C ATOM 1473 N CYS B2056 -10.219 81.603 42.439 1.00 41.25 N ATOM 1474 CA CYS B2056 -9.242 81.077 41.474 1.00 42.62 C ATOM 1475 C CYS B2056 -7.849 80.907 42.074 1.00 42.51 C ATOM 1476 O CYS B2056 -7.168 79.912 41.813 1.00 42.24 O ATOM 1477 CB CYS B2056 -9.177 81.962 40.226 1.00 42.91 C ATOM 1478 SG CYS B2056 -10.820 82.167 39.459 1.00 47.05 S ATOM 1479 N GLN B2057 -7.442 81.882 42.879 1.00 42.92 N ATOM 1480 CA GLN B2057 -6.183 81.811 43.602 1.00 43.66 C ATOM 1481 C GLN B2057 -6.110 80.561 44.469 1.00 43.58 C ATOM 1482 O GLN B2057 -5.148 79.793 44.395 1.00 44.20 O ATOM 1483 CB GLN B2057 -5.971 83.076 44.452 1.00 44.28 C ATOM 1484 CG GLN B2057 -5.615 84.334 43.600 1.00 46.95 C ATOM 1485 CD GLN B2057 -5.052 85.528 44.408 1.00 50.10 C ATOM 1486 OE1 GLN B2057 -4.981 85.498 45.649 1.00 52.70 O ATOM 1487 NE2 GLN B2057 -4.659 86.586 43.691 1.00 50.36 N ATOM 1488 N ILE B2058 -7.132 80.335 45.278 1.00 43.42 N ATOM 1489 CA ILE B2058 -7.117 79.186 46.174 1.00 43.35 C ATOM 1490 C ILE B2058 -7.122 77.867 45.416 1.00 43.34 C ATOM 1491 O ILE B2058 -6.450 76.929 45.818 1.00 43.62 O ATOM 1492 CB ILE B2058 -8.286 79.245 47.145 1.00 43.41 C ATOM 1493 CG1 ILE B2058 -8.068 80.404 48.099 1.00 43.50 C ATOM 1494 CG2 ILE B2058 -8.429 77.932 47.923 1.00 42.85 C ATOM 1495 CD1 ILE B2058 -9.287 80.752 48.816 1.00 45.51 C ATOM 1496 N ILE B2059 -7.872 77.799 44.320 1.00 43.45 N ATOM 1497 CA ILE B2059 -7.884 76.603 43.467 1.00 43.52 C ATOM 1498 C ILE B2059 -6.502 76.375 42.842 1.00 43.85 C ATOM 1499 O ILE B2059 -5.982 75.255 42.840 1.00 43.04 O ATOM 1500 CB ILE B2059 -8.927 76.722 42.330 1.00 43.33 C ATOM 1501 CG1 ILE B2059 -10.346 76.702 42.912 1.00 42.93 C ATOM 1502 CG2 ILE B2059 -8.721 75.611 41.297 1.00 41.81 C ATOM 1503 CD1 ILE B2059 -11.353 77.473 42.075 1.00 42.16 C ATOM 1504 N THR B2060 -5.924 77.458 42.328 1.00 44.40 N ATOM 1505 CA THR B2060 -4.615 77.409 41.712 1.00 45.02 C ATOM 1506 C THR B2060 -3.549 76.977 42.700 1.00 45.90 C ATOM 1507 O THR B2060 -2.777 76.059 42.424 1.00 45.77 O ATOM 1508 CB THR B2060 -4.220 78.763 41.147 1.00 44.93 C ATOM 1509 OG1 THR B2060 -5.205 79.176 40.198 1.00 44.65 O ATOM 1510 CG2 THR B2060 -2.860 78.664 40.470 1.00 44.29 C ATOM 1511 N GLN B2061 -3.509 77.644 43.846 1.00 47.09 N ATOM 1512 CA GLN B2061 -2.572 77.279 44.893 1.00 48.35 C ATOM 1513 C GLN B2061 -2.786 75.829 45.345 1.00 49.45 C ATOM 1514 O GLN B2061 -1.829 75.107 45.592 1.00 49.97 O ATOM 1515 CB GLN B2061 -2.689 78.241 46.085 1.00 48.48 C ATOM 1516 N ASP B2062 -4.036 75.400 45.442 1.00 50.80 N ATOM 1517 CA ASP B2062 -4.336 74.055 45.915 1.00 52.17 C ATOM 1518 C ASP B2062 -3.856 72.993 44.917 1.00 52.86 C ATOM 1519 O ASP B2062 -3.379 71.930 45.315 1.00 53.48 O ATOM 1520 CB ASP B2062 -5.838 73.923 46.183 1.00 52.51 C ATOM 1521 CG ASP B2062 -6.216 72.603 46.854 1.00 54.19 C ATOM 1522 OD1 ASP B2062 -7.039 72.640 47.809 1.00 55.99 O ATOM 1523 OD2 ASP B2062 -5.713 71.532 46.422 1.00 56.25 O ATOM 1524 N PHE B2063 -3.988 73.269 43.622 1.00 53.52 N ATOM 1525 CA PHE B2063 -3.543 72.318 42.592 1.00 53.79 C ATOM 1526 C PHE B2063 -2.024 72.307 42.390 1.00 54.27 C ATOM 1527 O PHE B2063 -1.486 71.315 41.912 1.00 54.32 O ATOM 1528 CB PHE B2063 -4.270 72.570 41.266 1.00 53.54 C ATOM 1529 CG PHE B2063 -5.531 71.774 41.120 1.00 53.96 C ATOM 1530 CD1 PHE B2063 -6.678 72.126 41.818 1.00 54.56 C ATOM 1531 CD2 PHE B2063 -5.572 70.647 40.299 1.00 54.49 C ATOM 1532 CE1 PHE B2063 -7.850 71.375 41.684 1.00 54.57 C ATOM 1533 CE2 PHE B2063 -6.738 69.895 40.164 1.00 54.40 C ATOM 1534 CZ PHE B2063 -7.876 70.258 40.856 1.00 53.92 C ATOM 1535 N ALA B2064 -1.341 73.395 42.762 1.00 55.06 N ATOM 1536 CA ALA B2064 0.133 73.471 42.692 1.00 55.62 C ATOM 1537 C ALA B2064 0.861 72.839 43.890 1.00 56.51 C ATOM 1538 O ALA B2064 2.088 72.715 43.864 1.00 56.64 O ATOM 1539 CB ALA B2064 0.596 74.921 42.515 1.00 55.15 C ATOM 1540 N ARG B2065 0.131 72.433 44.933 1.00 57.44 N ATOM 1541 CA ARG B2065 0.778 71.892 46.139 1.00 58.07 C ATOM 1542 C ARG B2065 1.112 70.409 45.989 1.00 58.26 C ATOM 1543 CB ARG B2065 -0.076 72.138 47.388 1.00 58.35 C ATOM 1544 CG ARG B2065 -1.366 71.357 47.455 1.00 59.56 C ATOM 1545 CD ARG B2065 -2.048 71.569 48.795 1.00 61.27 C ATOM 1546 NE ARG B2065 -3.479 71.227 48.796 1.00 63.03 N ATOM 1547 CZ ARG B2065 -3.988 69.992 48.766 1.00 64.15 C ATOM 1548 NH1 ARG B2065 -3.204 68.916 48.697 1.00 64.90 N ATOM 1549 NH2 ARG B2065 -5.307 69.828 48.792 1.00 65.06 N ATOM 1550 OXT ARG B2065 2.252 70.048 45.687 1.00 58.53 O TER 1551 ARG B2065 HETATM 1552 O HOH A 1 -33.620 71.404 50.832 1.00 35.33 O HETATM 1553 O HOH A 2 -42.277 68.946 35.837 1.00 25.95 O HETATM 1554 O HOH A 4 -32.019 60.105 49.934 1.00 38.61 O HETATM 1555 O HOH A 5 -11.158 66.708 30.381 1.00 39.55 O HETATM 1556 O HOH A 6 -17.030 97.145 53.175 1.00 54.28 O HETATM 1557 O HOH A 7 -23.145 59.332 31.054 1.00 48.96 O HETATM 1558 O HOH A 8 -5.450 69.530 44.265 1.00 54.71 O HETATM 1559 O HOH A 9 -37.229 63.408 49.241 1.00 50.80 O HETATM 1560 O HOH A 10 -29.805 61.021 53.519 1.00 47.82 O HETATM 1561 O HOH A 11 -27.025 82.167 53.763 1.00 52.92 O HETATM 1562 O HOH A 12 -13.821 71.385 24.244 1.00 60.97 O HETATM 1563 O HOH A 13 -25.590 87.233 62.781 1.00 50.54 O HETATM 1564 O HOH A 14 -20.420 72.048 32.803 1.00 51.46 O HETATM 1565 O HOH A 16 -23.360 81.367 60.543 1.00 63.83 O HETATM 1566 O HOH A 17 -24.901 83.305 60.208 1.00 46.42 O HETATM 1567 O HOH A 19 -15.510 78.385 32.632 1.00 54.86 O HETATM 1568 O HOH A 20 -16.094 59.530 50.101 1.00 52.23 O HETATM 1569 O HOH A 21 -27.888 89.917 60.177 1.00 54.30 O HETATM 1570 O HOH A 22 -20.762 79.566 35.347 1.00 60.43 O HETATM 1571 O HOH A 23 -6.310 62.628 38.211 1.00 64.17 O HETATM 1572 O HOH A 24 -8.871 82.036 34.973 1.00 44.74 O HETATM 1573 O HOH A 26 -26.326 62.539 56.771 1.00 64.39 O HETATM 1574 O HOH A 27 -32.857 82.220 65.187 1.00 64.88 O HETATM 1575 O HOH A 28 -8.076 68.587 47.689 1.00 59.39 O HETATM 1576 O HOH A 29 -13.503 78.681 34.597 1.00 38.49 O HETATM 1577 O HOH A 30 -23.416 86.385 64.085 1.00 58.45 O HETATM 1578 O HOH A 31 -10.515 73.368 54.312 1.00 57.69 O HETATM 1579 O HOH A 32 -31.469 55.790 48.646 1.00 47.51 O HETATM 1580 O HOH A 33 -43.297 71.463 37.283 1.00 38.98 O HETATM 1581 O HOH A 34 -25.923 76.961 37.399 1.00 43.98 O HETATM 1582 O HOH A 35 -22.792 75.020 30.534 1.00 41.04 O HETATM 1583 O HOH A 36 -29.803 67.665 54.735 1.00 70.53 O HETATM 1584 O HOH A 37 -19.089 80.460 63.898 1.00 69.62 O HETATM 1585 O HOH A 38 -29.602 90.996 46.087 1.00 59.39 O HETATM 1586 O HOH A 40 -5.019 76.277 48.577 1.00 48.04 O HETATM 1587 O HOH A 41 -12.745 75.188 62.790 1.00 67.74 O HETATM 1588 O HOH A 43 -16.266 76.177 60.562 1.00 77.46 O HETATM 1589 O HOH A 44 -25.023 69.984 54.995 1.00 49.01 O HETATM 1590 O HOH A 45 -21.411 95.622 59.025 1.00 53.72 O HETATM 1591 O HOH A 46 -41.326 69.935 47.606 1.00 55.62 O HETATM 1592 O HOH A 47 -16.595 80.203 41.233 1.00 38.56 O HETATM 1593 O HOH A 48 -19.221 53.330 47.937 1.00 54.50 O HETATM 1594 O HOH A 49 -19.280 84.623 58.768 1.00 61.76 O HETATM 1595 O HOH A 50 -19.058 59.058 36.419 1.00 57.41 O HETATM 1596 O HOH A 51 -14.406 81.553 36.247 1.00 56.64 O HETATM 1597 O HOH A 52 -31.117 84.275 41.094 1.00 53.88 O HETATM 1598 O HOH A 53 -24.121 70.763 50.215 1.00 42.25 O HETATM 1599 O HOH A 54 -17.453 71.347 57.293 1.00 65.91 O HETATM 1600 O HOH A 55 -22.298 83.435 33.688 1.00 44.09 O HETATM 1601 O HOH A 56 -16.381 83.010 37.953 1.00 44.65 O HETATM 1602 O HOH A 58 -21.487 75.899 28.698 1.00 50.31 O HETATM 1603 O HOH A 59 -19.809 84.355 65.442 1.00 50.42 O HETATM 1604 O HOH A 60 -2.631 88.270 53.033 1.00 52.35 O HETATM 1605 O HOH A 61 0.952 89.555 57.330 1.00 62.10 O HETATM 1606 O HOH A 62 -22.862 67.269 55.987 1.00 67.73 O HETATM 1607 O HOH B 3 -5.566 99.100 56.241 1.00 43.12 O HETATM 1608 O HOH B 15 -9.690 91.411 42.616 1.00 39.99 O HETATM 1609 O HOH B 18 -1.861 75.342 39.701 1.00 61.93 O HETATM 1610 O HOH B 25 0.338 78.896 43.739 1.00 58.48 O HETATM 1611 O HOH B 39 0.311 75.870 46.709 1.00 51.44 O HETATM 1612 O HOH B 42 -6.300 85.234 47.896 1.00 45.21 O HETATM 1613 O HOH B 57 -0.771 69.623 43.730 1.00 63.18 O MASTER 457 0 0 11 2 0 0 6 1611 2 0 21 END
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Entry Information
PDB ID
3n00
Complex Type
Protein-Protein
PDBbind Subset
general set
Protein Name
truncated human Rev-erba ligand binding domain
Ligand Name
21-mer
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
IC50=0.22uM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Nat.Struct.Mol.Biol. Vol. 17: pp. 808-814
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):
O75376
P20393
Entrez Gene ID
NCBI Entrez Gene ID:
9611
9572
ASD
Information of known allosteric effects of PDB entries
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