Browse entries in the PDBbind-CN Database
HEADER TRANSFERASE/DNA 15-DEC-10 3Q0B TITLE CRYSTAL STRUCTURE OF SUVH5 SRA- FULLY METHYLATED CG DNA COMPLEX IN TITLE 2 SPACE GROUP P42212 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HISTONE-LYSINE N-METHYLTRANSFERASE, H3 LYSINE-9 SPECIFIC COMPND 3 SUVH5; COMPND 4 CHAIN: X; COMPND 5 FRAGMENT: SUVH5 SRA DOMAIN (UNP RESIDUES 362-528); COMPND 6 SYNONYM: HISTONE H3-K9 METHYLTRANSFERASE 5, H3-K9-HMTASE 5, PROTEIN COMPND 7 SET DOMAIN GROUP 9, SUPPRESSOR OF VARIEGATION 3-9 HOMOLOG PROTEIN 5, COMPND 8 SU(VAR)3-9 HOMOLOG PROTEIN 5; COMPND 9 EC: 2.1.1.43; COMPND 10 ENGINEERED: YES; COMPND 11 MOL_ID: 2; COMPND 12 MOLECULE: DNA (5'-D(*AP*CP*TP*AP*(5CM)P*GP*TP*AP*GP*T)-3'); COMPND 13 CHAIN: A; COMPND 14 ENGINEERED: YES; COMPND 15 OTHER_DETAILS: SELF COMPLEMENTARY FULLY METHYLATED CG DNA SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: AT2G35160, SDG9, SET9, SUVH5, T4C15.17; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: ROSETTA2 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PETSUMO; SOURCE 11 MOL_ID: 2; SOURCE 12 SYNTHETIC: YES; SOURCE 13 OTHER_DETAILS: CHEMICALLY SYNTHESIZED KEYWDS SRA, FULLY METHYLATED CG, SUVH5, 5MC BINDING PROTEIN, FULLY KEYWDS 2 METHYLATED CG DUPLEX DNA, TRANSFERASE-DNA COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR R.EERAPPA,D.K.SIMANSHU,D.J.PATEL REVDAT 1 02-FEB-11 3Q0B 0 JRNL AUTH E.RAJAKUMARA,J.A.LAW,D.K.SIMANSHU,P.VOIGT,L.M.JOHNSON, JRNL AUTH 2 D.REINBERG,D.J.PATEL,S.E.JACOBSEN JRNL TITL A DUAL FLIP-OUT MECHANISM FOR 5MC RECOGNITION BY THE JRNL TITL 2 ARABIDOPSIS SUVH5 SRA DOMAIN AND ITS IMPACT ON DNA JRNL TITL 3 METHYLATION AND H3K9 DIMETHYLATION IN VIVO. JRNL REF GENES DEV. V. 25 137 2011 JRNL REFN ISSN 0890-9369 JRNL PMID 21245167 JRNL DOI 10.1101/GAD.1980311 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (PHENIX.REFINE) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE- REMARK 3 : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO, REMARK 3 : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL REMARK 3 : MORIARTY,REETAL PAI,RANDY READ,JANE REMARK 3 : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM REMARK 3 : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH, REMARK 3 : LAURENT STORONI,TOM TERWILLIGER,PETER REMARK 3 : ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 26.59 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.890 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 3 NUMBER OF REFLECTIONS : 11770 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.218 REMARK 3 R VALUE (WORKING SET) : 0.217 REMARK 3 FREE R VALUE : 0.252 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.960 REMARK 3 FREE R VALUE TEST SET COUNT : 1055 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 26.5890 - 4.3943 0.99 2515 121 0.1978 0.2013 REMARK 3 2 4.3943 - 3.4904 1.00 2532 126 0.1780 0.2198 REMARK 3 3 3.4904 - 3.0499 1.00 2504 146 0.2110 0.2342 REMARK 3 4 3.0499 - 2.7713 1.00 2561 112 0.2420 0.3417 REMARK 3 5 2.7713 - 2.5729 1.00 2532 133 0.2366 0.2550 REMARK 3 6 2.5729 - 2.4213 1.00 2513 142 0.2343 0.3138 REMARK 3 7 2.4213 - 2.3001 1.00 2539 130 0.2464 0.2937 REMARK 3 8 2.3001 - 2.2000 0.99 2498 145 0.2952 0.3632 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : 0.35 REMARK 3 B_SOL : 65.02 REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.590 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 26.740 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.07180 REMARK 3 B22 (A**2) : -1.07180 REMARK 3 B33 (A**2) : 2.14370 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 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.007 1383 REMARK 3 ANGLE : 1.198 1911 REMARK 3 CHIRALITY : 0.065 206 REMARK 3 PLANARITY : 0.006 215 REMARK 3 DIHEDRAL : 19.052 528 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3Q0B COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-JAN-11. REMARK 100 THE RCSB ID CODE IS RCSB063033. 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 : 24-ID-C REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97918,0.97929,0.9900 REMARK 200 MONOCHROMATOR : CRYO-COOLED SI(111) DOUBLE REMARK 200 CRYSTAL REMARK 200 OPTICS : CRYOGENECALLY-COOLED DOUBLE REMARK 200 CRYSTAL SI(111) MONOCHROMOTER REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11770 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.7 REMARK 200 DATA REDUNDANCY : 11.400 REMARK 200 R MERGE (I) : 0.04700 REMARK 200 R SYM (I) : 0.05100 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 49.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.28 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 11.40 REMARK 200 R MERGE FOR SHELL (I) : 0.51000 REMARK 200 R SYM FOR SHELL (I) : 0.52000 REMARK 200 <I/SIGMA(I)> FOR SHELL : 4.200 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 50.79 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.50 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 19% PEG 4000, 100 MM TRIS-HCL, PH 7.5 REMARK 280 AND 40 MM CACL2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 42 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -Y+1/2,X+1/2,Z+1/2 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/2 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 38.28300 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 38.28300 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 36.95200 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 38.28300 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 38.28300 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 36.95200 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 38.28300 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 38.28300 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 36.95200 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 38.28300 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 38.28300 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 36.95200 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5150 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 16150 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -8.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: X, A 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 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 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 LYS X 437 REMARK 465 LYS X 438 REMARK 465 LYS X 439 REMARK 465 ASN X 440 REMARK 465 ASN X 441 REMARK 465 ASN X 474 REMARK 465 THR X 475 REMARK 465 THR X 476 REMARK 465 LEU X 477 REMARK 465 GLN X 478 REMARK 465 SER X 479 REMARK 465 SER X 480 REMARK 465 VAL X 481 REMARK 465 VAL X 482 REMARK 465 ALA X 483 REMARK 465 LYS X 525 REMARK 465 GLU X 526 REMARK 465 VAL X 527 REMARK 465 ALA X 528 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 ASP X 401 CB CG OD1 OD2 REMARK 470 GLU X 404 CG CD OE1 OE2 REMARK 470 GLU X 442 CG CD OE1 OE2 REMARK 470 LYS X 473 CG CD CE NZ REMARK 470 TRP X 524 CG CD1 CD2 NE1 CE2 CE3 CZ2 REMARK 470 TRP X 524 CZ3 CH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 12 O HOH A 61 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OE1 GLU X 496 OE1 GLU X 496 2565 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 DA A 1 O4' - C1' - N9 ANGL. DEV. = 2.3 DEGREES REMARK 500 DC A 2 O4' - C1' - N1 ANGL. DEV. = 3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN X 392 -35.77 -130.73 REMARK 500 ASP X 401 97.42 -59.57 REMARK 500 SER X 409 146.38 -172.68 REMARK 500 SER X 413 31.06 -142.38 REMARK 500 THR X 451 -132.86 51.99 REMARK 500 SER X 503 17.01 -68.06 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3Q0C RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF SUVH5 SRA-FULLY METHYLATED CG DNA IN REMARK 900 SPACE GROUP P6122 REMARK 900 RELATED ID: 3Q0D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF SUVH5 SRA-HEMI METHYLATED CG COMPLEX REMARK 900 RELATED ID: 3Q0F RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF SUVH5 SRA-METHYLATED CHH DNA COMPLEX DBREF 3Q0B X 362 528 UNP O82175 SUVH5_ARATH 362 528 DBREF 3Q0B A 1 10 PDB 3Q0B 3Q0B 1 10 SEQRES 1 X 167 GLN ILE ILE GLY THR VAL PRO GLY VAL GLU VAL GLY ASP SEQRES 2 X 167 GLU PHE GLN TYR ARG MSE GLU LEU ASN LEU LEU GLY ILE SEQRES 3 X 167 HIS ARG PRO SER GLN SER GLY ILE ASP TYR MSE LYS ASP SEQRES 4 X 167 ASP GLY GLY GLU LEU VAL ALA THR SER ILE VAL SER SER SEQRES 5 X 167 GLY GLY TYR ASN ASP VAL LEU ASP ASN SER ASP VAL LEU SEQRES 6 X 167 ILE TYR THR GLY GLN GLY GLY ASN VAL GLY LYS LYS LYS SEQRES 7 X 167 ASN ASN GLU PRO PRO LYS ASP GLN GLN LEU VAL THR GLY SEQRES 8 X 167 ASN LEU ALA LEU LYS ASN SER ILE ASN LYS LYS ASN PRO SEQRES 9 X 167 VAL ARG VAL ILE ARG GLY ILE LYS ASN THR THR LEU GLN SEQRES 10 X 167 SER SER VAL VAL ALA LYS ASN TYR VAL TYR ASP GLY LEU SEQRES 11 X 167 TYR LEU VAL GLU GLU TYR TRP GLU GLU THR GLY SER HIS SEQRES 12 X 167 GLY LYS LEU VAL PHE LYS PHE LYS LEU ARG ARG ILE PRO SEQRES 13 X 167 GLY GLN PRO GLU LEU PRO TRP LYS GLU VAL ALA SEQRES 1 A 10 DA DC DT DA 5CM DG DT DA DG DT MODRES 3Q0B MSE X 380 MET SELENOMETHIONINE MODRES 3Q0B MSE X 398 MET SELENOMETHIONINE MODRES 3Q0B 5CM A 5 DC HET MSE X 380 8 HET MSE X 398 8 HET 5CM A 5 20 HETNAM MSE SELENOMETHIONINE HETNAM 5CM 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE FORMUL 1 MSE 2(C5 H11 N O2 SE) FORMUL 2 5CM C10 H16 N3 O7 P FORMUL 3 HOH *63(H2 O) HELIX 1 1 TYR X 378 LEU X 385 1 8 HELIX 2 2 VAL X 450 LYS X 463 1 14 SHEET 1 A 5 GLU X 375 PHE X 376 0 SHEET 2 A 5 TYR X 486 THR X 501 -1 O TYR X 486 N PHE X 376 SHEET 3 A 5 VAL X 466 GLY X 471 -1 N VAL X 468 O ASP X 489 SHEET 4 A 5 LEU X 405 SER X 412 1 N SER X 412 O GLY X 471 SHEET 5 A 5 ILE X 395 LYS X 399 -1 N ASP X 396 O THR X 408 SHEET 1 B 5 GLU X 375 PHE X 376 0 SHEET 2 B 5 TYR X 486 THR X 501 -1 O TYR X 486 N PHE X 376 SHEET 3 B 5 LEU X 507 ARG X 515 -1 O LYS X 512 N GLU X 495 SHEET 4 B 5 VAL X 425 THR X 429 -1 N LEU X 426 O LEU X 513 SHEET 5 B 5 VAL X 419 LEU X 420 -1 N VAL X 419 O ILE X 427 LINK C ARG X 379 N MSE X 380 1555 1555 1.33 LINK C MSE X 380 N GLU X 381 1555 1555 1.33 LINK C TYR X 397 N MSE X 398 1555 1555 1.33 LINK C MSE X 398 N LYS X 399 1555 1555 1.33 LINK O3' DA A 4 P 5CM A 5 1555 1555 1.61 LINK O3' 5CM A 5 P DG A 6 1555 1555 1.61 CRYST1 76.566 76.566 73.904 90.00 90.00 90.00 P 42 21 2 8 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 0.013061 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013061 0.000000 0.00000 SCALE3 0.000000 0.000000 0.013531 0.00000 ATOM 1 N GLN X 362 29.147 30.004 18.926 1.00 60.28 N ATOM 2 CA GLN X 362 27.758 30.340 19.234 1.00 55.91 C ATOM 3 C GLN X 362 27.636 31.601 20.086 1.00 52.62 C ATOM 4 O GLN X 362 27.893 31.577 21.286 1.00 63.63 O ATOM 5 CB GLN X 362 27.048 29.163 19.912 1.00 55.65 C ATOM 6 CG GLN X 362 25.993 28.464 19.037 1.00 43.92 C ATOM 7 CD GLN X 362 24.880 29.400 18.615 1.00 48.23 C ATOM 8 OE1 GLN X 362 25.122 30.570 18.282 1.00 49.19 O ATOM 9 NE2 GLN X 362 23.647 28.893 18.614 1.00 43.91 N ATOM 10 N ILE X 363 27.236 32.701 19.460 1.00 48.09 N ATOM 11 CA ILE X 363 27.175 33.995 20.131 1.00 50.25 C ATOM 12 C ILE X 363 25.763 34.570 20.177 1.00 46.55 C ATOM 13 O ILE X 363 25.048 34.531 19.187 1.00 46.73 O ATOM 14 CB ILE X 363 28.112 35.013 19.437 1.00 55.47 C ATOM 15 CG1 ILE X 363 29.471 35.050 20.137 1.00 59.27 C ATOM 16 CG2 ILE X 363 27.504 36.403 19.430 1.00 50.94 C ATOM 17 CD1 ILE X 363 30.504 35.900 19.410 1.00 65.96 C ATOM 18 N ILE X 364 25.371 35.098 21.333 1.00 46.52 N ATOM 19 CA ILE X 364 24.096 35.797 21.482 1.00 46.37 C ATOM 20 C ILE X 364 24.235 37.295 21.221 1.00 44.50 C ATOM 21 O ILE X 364 25.169 37.934 21.695 1.00 48.44 O ATOM 22 CB ILE X 364 23.500 35.596 22.884 1.00 44.11 C ATOM 23 CG1 ILE X 364 22.925 34.186 23.003 1.00 44.42 C ATOM 24 CG2 ILE X 364 22.425 36.642 23.167 1.00 40.10 C ATOM 25 CD1 ILE X 364 22.185 33.927 24.288 1.00 50.52 C ATOM 26 N GLY X 365 23.307 37.846 20.449 1.00 45.18 N ATOM 27 CA GLY X 365 23.289 39.270 20.175 1.00 41.62 C ATOM 28 C GLY X 365 24.107 39.657 18.963 1.00 41.76 C ATOM 29 O GLY X 365 24.307 38.868 18.045 1.00 43.69 O ATOM 30 N THR X 366 24.587 40.891 18.962 1.00 45.40 N ATOM 31 CA THR X 366 25.362 41.399 17.845 1.00 40.07 C ATOM 32 C THR X 366 26.589 40.548 17.548 1.00 47.23 C ATOM 33 O THR X 366 27.253 40.045 18.455 1.00 48.40 O ATOM 34 CB THR X 366 25.799 42.841 18.099 1.00 44.96 C ATOM 35 OG1 THR X 366 24.691 43.575 18.627 1.00 50.87 O ATOM 36 CG2 THR X 366 26.267 43.492 16.809 1.00 44.29 C ATOM 37 N VAL X 367 26.871 40.384 16.259 1.00 48.72 N ATOM 38 CA VAL X 367 28.056 39.688 15.804 1.00 46.25 C ATOM 39 C VAL X 367 29.030 40.688 15.194 1.00 48.91 C ATOM 40 O VAL X 367 28.704 41.366 14.215 1.00 51.14 O ATOM 41 CB VAL X 367 27.718 38.613 14.760 1.00 47.44 C ATOM 42 CG1 VAL X 367 28.963 38.249 13.950 1.00 47.59 C ATOM 43 CG2 VAL X 367 27.136 37.388 15.439 1.00 45.77 C ATOM 44 N PRO X 368 30.234 40.778 15.775 1.00 50.26 N ATOM 45 CA PRO X 368 31.268 41.726 15.350 1.00 52.01 C ATOM 46 C PRO X 368 31.451 41.757 13.837 1.00 51.51 C ATOM 47 O PRO X 368 31.637 40.710 13.216 1.00 52.52 O ATOM 48 CB PRO X 368 32.520 41.181 16.030 1.00 57.04 C ATOM 49 CG PRO X 368 31.994 40.566 17.297 1.00 53.21 C ATOM 50 CD PRO X 368 30.682 39.946 16.907 1.00 50.39 C ATOM 51 N GLY X 369 31.384 42.953 13.257 1.00 54.18 N ATOM 52 CA GLY X 369 31.618 43.128 11.835 1.00 49.59 C ATOM 53 C GLY X 369 30.429 42.767 10.960 1.00 55.11 C ATOM 54 O GLY X 369 30.570 42.609 9.747 1.00 57.51 O ATOM 55 N VAL X 370 29.258 42.627 11.574 1.00 55.64 N ATOM 56 CA VAL X 370 28.029 42.378 10.823 1.00 54.62 C ATOM 57 C VAL X 370 27.003 43.462 11.135 1.00 49.54 C ATOM 58 O VAL X 370 26.450 43.509 12.231 1.00 47.36 O ATOM 59 CB VAL X 370 27.432 40.993 11.135 1.00 47.61 C ATOM 60 CG1 VAL X 370 26.180 40.764 10.307 1.00 46.45 C ATOM 61 CG2 VAL X 370 28.460 39.900 10.868 1.00 49.15 C ATOM 62 N GLU X 371 26.758 44.332 10.165 1.00 49.49 N ATOM 63 CA GLU X 371 25.904 45.490 10.384 1.00 51.60 C ATOM 64 C GLU X 371 24.480 45.219 9.929 1.00 47.19 C ATOM 65 O GLU X 371 24.246 44.505 8.947 1.00 45.37 O ATOM 66 CB GLU X 371 26.442 46.711 9.627 1.00 52.88 C ATOM 67 CG GLU X 371 27.960 46.756 9.465 1.00 55.90 C ATOM 68 CD GLU X 371 28.687 46.879 10.787 1.00 59.17 C ATOM 69 OE1 GLU X 371 28.022 47.147 11.812 1.00 60.25 O ATOM 70 OE2 GLU X 371 29.927 46.706 10.803 1.00 66.14 O ATOM 71 N VAL X 372 23.530 45.802 10.646 1.00 45.87 N ATOM 72 CA VAL X 372 22.163 45.833 10.180 1.00 42.23 C ATOM 73 C VAL X 372 22.199 46.298 8.735 1.00 43.64 C ATOM 74 O VAL X 372 22.877 47.267 8.411 1.00 45.72 O ATOM 75 CB VAL X 372 21.308 46.774 11.029 1.00 44.59 C ATOM 76 CG1 VAL X 372 19.983 47.047 10.342 1.00 45.18 C ATOM 77 CG2 VAL X 372 21.090 46.178 12.411 1.00 40.87 C ATOM 78 N GLY X 373 21.508 45.576 7.858 1.00 44.93 N ATOM 79 CA GLY X 373 21.464 45.930 6.452 1.00 41.09 C ATOM 80 C GLY X 373 22.461 45.185 5.585 1.00 42.46 C ATOM 81 O GLY X 373 22.417 45.280 4.358 1.00 44.20 O ATOM 82 N ASP X 374 23.375 44.446 6.203 1.00 43.03 N ATOM 83 CA ASP X 374 24.319 43.649 5.419 1.00 40.91 C ATOM 84 C ASP X 374 23.578 42.537 4.694 1.00 43.67 C ATOM 85 O ASP X 374 22.652 41.940 5.248 1.00 42.90 O ATOM 86 CB ASP X 374 25.407 43.055 6.309 1.00 47.02 C ATOM 87 CG ASP X 374 26.472 44.064 6.675 1.00 47.74 C ATOM 88 OD1 ASP X 374 26.549 45.122 6.010 1.00 48.07 O ATOM 89 OD2 ASP X 374 27.231 43.797 7.625 1.00 50.75 O ATOM 90 N GLU X 375 23.984 42.258 3.460 1.00 42.73 N ATOM 91 CA GLU X 375 23.305 41.259 2.649 1.00 44.25 C ATOM 92 C GLU X 375 24.224 40.106 2.271 1.00 45.48 C ATOM 93 O GLU X 375 25.440 40.275 2.188 1.00 45.62 O ATOM 94 CB GLU X 375 22.704 41.901 1.399 1.00 45.86 C ATOM 95 CG GLU X 375 21.796 43.091 1.702 1.00 47.87 C ATOM 96 CD GLU X 375 21.118 43.632 0.456 1.00 53.49 C ATOM 97 OE1 GLU X 375 21.500 43.201 -0.654 1.00 57.15 O ATOM 98 OE2 GLU X 375 20.203 44.477 0.586 1.00 49.09 O ATOM 99 N PHE X 376 23.623 38.936 2.048 1.00 45.39 N ATOM 100 CA PHE X 376 24.353 37.699 1.791 1.00 39.70 C ATOM 101 C PHE X 376 23.611 36.865 0.765 1.00 43.63 C ATOM 102 O PHE X 376 22.388 36.819 0.766 1.00 41.26 O ATOM 103 CB PHE X 376 24.471 36.884 3.074 1.00 43.21 C ATOM 104 CG PHE X 376 24.823 37.700 4.280 1.00 46.03 C ATOM 105 CD1 PHE X 376 26.151 37.876 4.654 1.00 42.87 C ATOM 106 CD2 PHE X 376 23.828 38.297 5.039 1.00 38.91 C ATOM 107 CE1 PHE X 376 26.477 38.629 5.765 1.00 38.68 C ATOM 108 CE2 PHE X 376 24.146 39.056 6.150 1.00 38.64 C ATOM 109 CZ PHE X 376 25.471 39.220 6.513 1.00 42.80 C ATOM 110 N GLN X 377 24.348 36.191 -0.104 1.00 44.71 N ATOM 111 CA GLN X 377 23.722 35.373 -1.127 1.00 47.78 C ATOM 112 C GLN X 377 23.304 34.000 -0.603 1.00 46.09 C ATOM 113 O GLN X 377 22.338 33.419 -1.086 1.00 48.29 O ATOM 114 CB GLN X 377 24.656 35.200 -2.329 1.00 46.62 C ATOM 115 CG GLN X 377 24.083 34.276 -3.386 1.00 51.80 C ATOM 116 CD GLN X 377 24.764 34.402 -4.740 1.00 56.08 C ATOM 117 OE1 GLN X 377 24.176 34.058 -5.765 1.00 58.81 O ATOM 118 NE2 GLN X 377 26.003 34.889 -4.752 1.00 48.65 N ATOM 119 N TYR X 378 24.035 33.476 0.374 1.00 44.20 N ATOM 120 CA TYR X 378 23.826 32.097 0.797 1.00 42.12 C ATOM 121 C TYR X 378 23.729 31.879 2.301 1.00 44.00 C ATOM 122 O TYR X 378 24.355 32.591 3.085 1.00 44.85 O ATOM 123 CB TYR X 378 24.902 31.192 0.202 1.00 44.31 C ATOM 124 CG TYR X 378 24.805 31.098 -1.296 1.00 47.91 C ATOM 125 CD1 TYR X 378 23.613 30.729 -1.905 1.00 48.34 C ATOM 126 CD2 TYR X 378 25.894 31.396 -2.104 1.00 45.65 C ATOM 127 CE1 TYR X 378 23.510 30.651 -3.281 1.00 50.84 C ATOM 128 CE2 TYR X 378 25.802 31.313 -3.481 1.00 47.63 C ATOM 129 CZ TYR X 378 24.609 30.940 -4.062 1.00 49.63 C ATOM 130 OH TYR X 378 24.508 30.860 -5.430 1.00 50.09 O ATOM 131 N ARG X 379 22.924 30.888 2.683 1.00 39.56 N ATOM 132 CA ARG X 379 22.790 30.469 4.070 1.00 42.14 C ATOM 133 C ARG X 379 24.166 30.129 4.648 1.00 42.22 C ATOM 134 O ARG X 379 24.432 30.368 5.822 1.00 40.44 O ATOM 135 CB ARG X 379 21.869 29.248 4.166 1.00 37.45 C ATOM 136 CG ARG X 379 20.431 29.525 3.744 1.00 42.58 C ATOM 137 CD ARG X 379 19.682 30.280 4.826 1.00 36.65 C ATOM 138 NE ARG X 379 19.856 29.583 6.088 1.00 34.22 N ATOM 139 CZ ARG X 379 18.891 28.948 6.735 1.00 34.39 C ATOM 140 NH1 ARG X 379 17.640 28.962 6.280 1.00 33.39 N ATOM 141 NH2 ARG X 379 19.183 28.317 7.860 1.00 36.47 N HETATM 142 N MSE X 380 25.040 29.578 3.815 1.00 38.32 N HETATM 143 CA MSE X 380 26.363 29.172 4.279 1.00 44.27 C HETATM 144 C MSE X 380 27.287 30.338 4.646 1.00 43.34 C HETATM 145 O MSE X 380 28.246 30.148 5.390 1.00 40.37 O HETATM 146 CB MSE X 380 27.042 28.244 3.267 1.00 46.54 C HETATM 147 CG MSE X 380 26.610 26.799 3.405 1.00 49.72 C HETATM 148 SE MSE X 380 27.105 26.080 4.988 1.00 51.20 SE HETATM 149 CE MSE X 380 25.573 25.329 5.441 1.00 34.86 C ATOM 150 N GLU X 381 27.003 31.531 4.128 1.00 39.16 N ATOM 151 CA GLU X 381 27.731 32.727 4.555 1.00 41.71 C ATOM 152 C GLU X 381 27.273 33.145 5.943 1.00 41.49 C ATOM 153 O GLU X 381 28.064 33.628 6.753 1.00 41.89 O ATOM 154 CB GLU X 381 27.527 33.878 3.576 1.00 40.24 C ATOM 155 CG GLU X 381 27.698 33.475 2.123 1.00 46.41 C ATOM 156 CD GLU X 381 27.432 34.622 1.169 1.00 52.02 C ATOM 157 OE1 GLU X 381 27.462 35.790 1.618 1.00 53.75 O ATOM 158 OE2 GLU X 381 27.203 34.355 -0.030 1.00 53.38 O ATOM 159 N LEU X 382 25.988 32.954 6.219 1.00 40.05 N ATOM 160 CA LEU X 382 25.464 33.237 7.543 1.00 38.66 C ATOM 161 C LEU X 382 26.217 32.368 8.544 1.00 41.27 C ATOM 162 O LEU X 382 26.577 32.809 9.641 1.00 40.77 O ATOM 163 CB LEU X 382 23.965 32.934 7.602 1.00 35.71 C ATOM 164 CG LEU X 382 23.080 33.728 6.636 1.00 39.92 C ATOM 165 CD1 LEU X 382 21.611 33.489 6.942 1.00 31.46 C ATOM 166 CD2 LEU X 382 23.414 35.216 6.707 1.00 39.56 C ATOM 167 N ASN X 383 26.462 31.126 8.147 1.00 38.83 N ATOM 168 CA ASN X 383 27.118 30.167 9.017 1.00 36.43 C ATOM 169 C ASN X 383 28.593 30.515 9.201 1.00 39.34 C ATOM 170 O ASN X 383 29.085 30.568 10.324 1.00 44.53 O ATOM 171 CB ASN X 383 26.929 28.747 8.471 1.00 38.54 C ATOM 172 CG ASN X 383 27.824 27.732 9.153 1.00 41.60 C ATOM 173 OD1 ASN X 383 29.046 27.824 9.078 1.00 43.10 O ATOM 174 ND2 ASN X 383 27.218 26.751 9.815 1.00 34.36 N ATOM 175 N LEU X 384 29.290 30.767 8.097 1.00 40.37 N ATOM 176 CA LEU X 384 30.704 31.139 8.148 1.00 42.27 C ATOM 177 C LEU X 384 30.943 32.318 9.081 1.00 45.81 C ATOM 178 O LEU X 384 31.970 32.388 9.754 1.00 42.22 O ATOM 179 CB LEU X 384 31.227 31.475 6.748 1.00 43.71 C ATOM 180 CG LEU X 384 32.414 32.444 6.684 1.00 52.17 C ATOM 181 CD1 LEU X 384 33.712 31.761 7.106 1.00 55.83 C ATOM 182 CD2 LEU X 384 32.556 33.059 5.293 1.00 50.18 C ATOM 183 N LEU X 385 29.988 33.244 9.118 1.00 45.39 N ATOM 184 CA LEU X 385 30.152 34.468 9.887 1.00 42.13 C ATOM 185 C LEU X 385 29.547 34.387 11.290 1.00 45.02 C ATOM 186 O LEU X 385 29.564 35.370 12.029 1.00 46.39 O ATOM 187 CB LEU X 385 29.556 35.655 9.133 1.00 42.31 C ATOM 188 CG LEU X 385 30.161 36.007 7.774 1.00 45.40 C ATOM 189 CD1 LEU X 385 29.270 36.995 7.058 1.00 40.76 C ATOM 190 CD2 LEU X 385 31.583 36.564 7.913 1.00 49.01 C ATOM 191 N GLY X 386 29.014 33.225 11.653 1.00 42.37 N ATOM 192 CA GLY X 386 28.438 33.033 12.976 1.00 39.55 C ATOM 193 C GLY X 386 27.082 33.701 13.162 1.00 40.16 C ATOM 194 O GLY X 386 26.588 33.836 14.283 1.00 39.58 O ATOM 195 N ILE X 387 26.473 34.123 12.060 1.00 39.60 N ATOM 196 CA ILE X 387 25.170 34.776 12.121 1.00 38.01 C ATOM 197 C ILE X 387 24.066 33.774 12.395 1.00 33.79 C ATOM 198 O ILE X 387 23.196 34.003 13.238 1.00 35.57 O ATOM 199 CB ILE X 387 24.858 35.528 10.819 1.00 38.17 C ATOM 200 CG1 ILE X 387 25.979 36.529 10.530 1.00 43.87 C ATOM 201 CG2 ILE X 387 23.513 36.236 10.926 1.00 34.05 C ATOM 202 CD1 ILE X 387 25.750 37.386 9.306 1.00 43.50 C ATOM 203 N HIS X 388 24.120 32.660 11.676 1.00 33.68 N ATOM 204 CA HIS X 388 23.094 31.630 11.739 1.00 35.00 C ATOM 205 C HIS X 388 23.743 30.343 11.251 1.00 32.00 C ATOM 206 O HIS X 388 24.235 30.287 10.131 1.00 31.46 O ATOM 207 CB HIS X 388 21.913 32.004 10.836 1.00 33.64 C ATOM 208 CG HIS X 388 20.666 31.212 11.103 1.00 33.07 C ATOM 209 ND1 HIS X 388 20.222 30.213 10.264 1.00 32.18 N ATOM 210 CD2 HIS X 388 19.777 31.267 12.122 1.00 29.10 C ATOM 211 CE1 HIS X 388 19.110 29.691 10.749 1.00 29.64 C ATOM 212 NE2 HIS X 388 18.820 30.312 11.880 1.00 33.63 N ATOM 213 N ARG X 389 23.744 29.314 12.084 1.00 30.21 N ATOM 214 CA ARG X 389 24.512 28.110 11.776 1.00 33.31 C ATOM 215 C ARG X 389 23.837 27.077 10.867 1.00 34.03 C ATOM 216 O ARG X 389 24.445 26.630 9.895 1.00 31.16 O ATOM 217 CB ARG X 389 25.020 27.445 13.060 1.00 35.75 C ATOM 218 CG ARG X 389 26.099 28.249 13.786 1.00 34.71 C ATOM 219 CD ARG X 389 26.393 27.634 15.142 1.00 34.33 C ATOM 220 NE ARG X 389 25.168 27.229 15.831 1.00 36.08 N ATOM 221 CZ ARG X 389 25.108 26.242 16.722 1.00 43.56 C ATOM 222 NH1 ARG X 389 26.204 25.563 17.037 1.00 40.46 N ATOM 223 NH2 ARG X 389 23.954 25.926 17.295 1.00 37.18 N ATOM 224 N PRO X 390 22.589 26.684 11.178 1.00 33.68 N ATOM 225 CA PRO X 390 21.962 25.619 10.378 1.00 31.58 C ATOM 226 C PRO X 390 22.036 25.890 8.875 1.00 33.09 C ATOM 227 O PRO X 390 21.924 27.044 8.452 1.00 31.06 O ATOM 228 CB PRO X 390 20.511 25.631 10.848 1.00 27.17 C ATOM 229 CG PRO X 390 20.578 26.173 12.250 1.00 34.10 C ATOM 230 CD PRO X 390 21.717 27.157 12.267 1.00 31.44 C ATOM 231 N SER X 391 22.229 24.839 8.080 1.00 30.74 N ATOM 232 CA SER X 391 22.225 24.989 6.631 1.00 33.81 C ATOM 233 C SER X 391 20.821 25.252 6.072 1.00 29.87 C ATOM 234 O SER X 391 20.666 25.923 5.055 1.00 31.77 O ATOM 235 CB SER X 391 22.826 23.753 5.965 1.00 32.12 C ATOM 236 OG SER X 391 22.122 22.589 6.352 1.00 32.73 O ATOM 237 N GLN X 392 19.794 24.730 6.723 1.00 31.12 N ATOM 238 CA GLN X 392 18.435 24.944 6.210 1.00 31.76 C ATOM 239 C GLN X 392 17.450 25.426 7.259 1.00 30.59 C ATOM 240 O GLN X 392 16.576 26.231 6.966 1.00 34.96 O ATOM 241 CB GLN X 392 17.916 23.672 5.538 1.00 31.56 C ATOM 242 CG GLN X 392 18.887 23.143 4.492 1.00 32.40 C ATOM 243 CD GLN X 392 18.403 21.886 3.812 1.00 37.09 C ATOM 244 OE1 GLN X 392 19.198 21.119 3.273 1.00 35.34 O ATOM 245 NE2 GLN X 392 17.090 21.671 3.823 1.00 37.87 N ATOM 246 N SER X 393 17.604 24.938 8.481 1.00 28.12 N ATOM 247 CA SER X 393 16.647 25.197 9.541 1.00 30.58 C ATOM 248 C SER X 393 16.489 26.696 9.804 1.00 34.66 C ATOM 249 O SER X 393 17.467 27.451 9.757 1.00 31.28 O ATOM 250 CB SER X 393 17.069 24.460 10.813 1.00 31.81 C ATOM 251 OG SER X 393 16.222 24.779 11.898 1.00 37.85 O ATOM 252 N GLY X 394 15.255 27.123 10.062 1.00 31.78 N ATOM 253 CA GLY X 394 14.965 28.532 10.271 1.00 31.19 C ATOM 254 C GLY X 394 15.369 29.048 11.642 1.00 30.15 C ATOM 255 O GLY X 394 15.512 30.255 11.847 1.00 29.79 O ATOM 256 N ILE X 395 15.554 28.141 12.591 1.00 29.97 N ATOM 257 CA ILE X 395 15.886 28.553 13.947 1.00 31.44 C ATOM 258 C ILE X 395 17.229 27.996 14.408 1.00 36.83 C ATOM 259 O ILE X 395 17.508 26.808 14.259 1.00 34.62 O ATOM 260 CB ILE X 395 14.822 28.112 14.942 1.00 30.81 C ATOM 261 CG1 ILE X 395 13.427 28.500 14.445 1.00 29.08 C ATOM 262 CG2 ILE X 395 15.118 28.706 16.312 1.00 28.71 C ATOM 263 CD1 ILE X 395 12.322 27.740 15.099 1.00 27.69 C ATOM 264 N ASP X 396 18.060 28.863 14.967 1.00 33.48 N ATOM 265 CA ASP X 396 19.303 28.427 15.588 1.00 34.44 C ATOM 266 C ASP X 396 19.193 28.695 17.087 1.00 40.16 C ATOM 267 O ASP X 396 18.613 29.708 17.494 1.00 35.88 O ATOM 268 CB ASP X 396 20.499 29.175 14.995 1.00 33.52 C ATOM 269 CG ASP X 396 21.826 28.516 15.334 1.00 37.96 C ATOM 270 OD1 ASP X 396 21.810 27.403 15.901 1.00 36.71 O ATOM 271 OD2 ASP X 396 22.881 29.108 15.029 1.00 38.49 O ATOM 272 N TYR X 397 19.723 27.781 17.899 1.00 35.09 N ATOM 273 CA TYR X 397 19.668 27.914 19.355 1.00 35.56 C ATOM 274 C TYR X 397 20.895 27.298 20.037 1.00 41.98 C ATOM 275 O TYR X 397 21.694 26.605 19.406 1.00 41.07 O ATOM 276 CB TYR X 397 18.399 27.264 19.901 1.00 39.41 C ATOM 277 CG TYR X 397 18.320 25.788 19.587 1.00 45.12 C ATOM 278 CD1 TYR X 397 18.897 24.845 20.432 1.00 44.16 C ATOM 279 CD2 TYR X 397 17.697 25.338 18.428 1.00 40.89 C ATOM 280 CE1 TYR X 397 18.843 23.500 20.137 1.00 44.39 C ATOM 281 CE2 TYR X 397 17.642 23.997 18.123 1.00 43.51 C ATOM 282 CZ TYR X 397 18.212 23.081 18.983 1.00 46.77 C ATOM 283 OH TYR X 397 18.152 21.740 18.686 1.00 49.32 O HETATM 284 N MSE X 398 21.034 27.552 21.334 1.00 44.93 N HETATM 285 CA MSE X 398 22.139 27.005 22.114 1.00 46.45 C HETATM 286 C MSE X 398 21.676 26.846 23.554 1.00 52.41 C HETATM 287 O MSE X 398 20.618 27.349 23.928 1.00 51.07 O HETATM 288 CB MSE X 398 23.347 27.940 22.063 1.00 42.72 C HETATM 289 CG MSE X 398 23.176 29.198 22.911 1.00 43.74 C HETATM 290 SE MSE X 398 24.548 30.354 22.745 1.00 50.96 SE HETATM 291 CE MSE X 398 25.893 29.431 23.493 1.00 59.47 C ATOM 292 N LYS X 399 22.461 26.142 24.365 1.00 58.86 N ATOM 293 CA LYS X 399 22.136 26.000 25.778 1.00 57.26 C ATOM 294 C LYS X 399 22.721 27.174 26.551 1.00 59.79 C ATOM 295 O LYS X 399 23.800 27.667 26.216 1.00 58.68 O ATOM 296 CB LYS X 399 22.649 24.669 26.328 1.00 64.04 C ATOM 297 CG LYS X 399 22.114 23.453 25.582 1.00 65.06 C ATOM 298 CD LYS X 399 21.873 22.269 26.518 1.00 73.57 C ATOM 299 CE LYS X 399 23.175 21.665 27.020 1.00 78.94 C ATOM 300 NZ LYS X 399 22.942 20.418 27.799 1.00 76.89 N ATOM 301 N ASP X 400 21.996 27.642 27.565 1.00 60.28 N ATOM 302 CA ASP X 400 22.483 28.739 28.399 1.00 67.82 C ATOM 303 C ASP X 400 23.080 28.215 29.705 1.00 70.34 C ATOM 304 O ASP X 400 23.292 27.011 29.860 1.00 66.02 O ATOM 305 CB ASP X 400 21.361 29.744 28.693 1.00 63.63 C ATOM 306 CG ASP X 400 20.234 29.149 29.534 1.00 69.71 C ATOM 307 OD1 ASP X 400 20.194 27.910 29.709 1.00 68.82 O ATOM 308 OD2 ASP X 400 19.379 29.927 30.016 1.00 68.65 O ATOM 309 N ASP X 401 23.355 29.129 30.635 1.00 77.41 N ATOM 310 CA ASP X 401 23.725 28.755 31.990 1.00 75.20 C ATOM 311 C ASP X 401 22.586 27.950 32.585 1.00 72.95 C ATOM 312 O ASP X 401 21.602 28.505 33.071 1.00 73.93 O ATOM 313 N GLY X 402 22.718 26.632 32.536 1.00 70.77 N ATOM 314 CA GLY X 402 21.623 25.743 32.869 1.00 69.85 C ATOM 315 C GLY X 402 21.401 24.798 31.703 1.00 72.36 C ATOM 316 O GLY X 402 22.142 24.831 30.716 1.00 72.54 O ATOM 317 N GLY X 403 20.386 23.951 31.802 1.00 68.90 N ATOM 318 CA GLY X 403 20.125 22.999 30.740 1.00 73.89 C ATOM 319 C GLY X 403 19.226 23.545 29.646 1.00 72.11 C ATOM 320 O GLY X 403 18.960 22.856 28.662 1.00 72.63 O ATOM 321 N GLU X 404 18.779 24.789 29.810 1.00 68.93 N ATOM 322 CA GLU X 404 17.714 25.352 28.978 1.00 66.47 C ATOM 323 C GLU X 404 18.159 25.881 27.608 1.00 57.50 C ATOM 324 O GLU X 404 19.161 26.587 27.491 1.00 56.82 O ATOM 325 CB GLU X 404 16.973 26.451 29.745 1.00 64.05 C ATOM 326 N LEU X 405 17.394 25.535 26.578 1.00 54.85 N ATOM 327 CA LEU X 405 17.643 26.039 25.233 1.00 51.29 C ATOM 328 C LEU X 405 17.151 27.467 25.104 1.00 44.72 C ATOM 329 O LEU X 405 16.086 27.811 25.608 1.00 48.65 O ATOM 330 CB LEU X 405 16.899 25.204 24.197 1.00 49.54 C ATOM 331 CG LEU X 405 17.101 23.700 24.144 1.00 51.53 C ATOM 332 CD1 LEU X 405 16.234 23.136 23.023 1.00 50.17 C ATOM 333 CD2 LEU X 405 18.570 23.365 23.928 1.00 54.42 C ATOM 334 N VAL X 406 17.924 28.293 24.414 1.00 40.92 N ATOM 335 CA VAL X 406 17.476 29.625 24.060 1.00 45.96 C ATOM 336 C VAL X 406 17.863 29.925 22.615 1.00 44.30 C ATOM 337 O VAL X 406 18.870 29.424 22.115 1.00 40.17 O ATOM 338 CB VAL X 406 18.071 30.691 24.997 1.00 52.40 C ATOM 339 CG1 VAL X 406 17.656 30.421 26.438 1.00 55.74 C ATOM 340 CG2 VAL X 406 19.586 30.722 24.866 1.00 49.14 C ATOM 341 N ALA X 407 17.061 30.752 21.950 1.00 43.43 N ATOM 342 CA ALA X 407 17.243 31.002 20.525 1.00 39.34 C ATOM 343 C ALA X 407 18.263 32.100 20.274 1.00 36.14 C ATOM 344 O ALA X 407 18.346 33.056 21.029 1.00 36.66 O ATOM 345 CB ALA X 407 15.915 31.354 19.880 1.00 35.47 C ATOM 346 N THR X 408 19.028 31.973 19.199 1.00 29.34 N ATOM 347 CA THR X 408 20.058 32.949 18.919 1.00 32.25 C ATOM 348 C THR X 408 19.811 33.700 17.614 1.00 33.83 C ATOM 349 O THR X 408 20.334 34.799 17.420 1.00 36.82 O ATOM 350 CB THR X 408 21.451 32.294 18.898 1.00 37.21 C ATOM 351 OG1 THR X 408 21.433 31.147 18.035 1.00 36.13 O ATOM 352 CG2 THR X 408 21.849 31.857 20.302 1.00 38.08 C ATOM 353 N SER X 409 19.006 33.116 16.731 1.00 29.90 N ATOM 354 CA SER X 409 18.777 33.690 15.411 1.00 30.88 C ATOM 355 C SER X 409 17.685 32.927 14.674 1.00 32.27 C ATOM 356 O SER X 409 17.556 31.727 14.846 1.00 34.22 O ATOM 357 CB SER X 409 20.065 33.643 14.585 1.00 35.39 C ATOM 358 OG SER X 409 20.517 32.306 14.443 1.00 34.96 O ATOM 359 N ILE X 410 16.900 33.629 13.859 1.00 32.40 N ATOM 360 CA ILE X 410 15.874 32.996 13.035 1.00 28.86 C ATOM 361 C ILE X 410 15.967 33.520 11.604 1.00 30.06 C ATOM 362 O ILE X 410 16.489 34.615 11.371 1.00 30.10 O ATOM 363 CB ILE X 410 14.470 33.223 13.600 1.00 31.45 C ATOM 364 CG1 ILE X 410 14.149 34.717 13.650 1.00 35.43 C ATOM 365 CG2 ILE X 410 14.349 32.620 14.995 1.00 27.86 C ATOM 366 CD1 ILE X 410 12.772 35.002 14.205 1.00 30.00 C ATOM 367 N VAL X 411 15.510 32.721 10.644 1.00 27.75 N ATOM 368 CA VAL X 411 15.488 33.140 9.244 1.00 27.67 C ATOM 369 C VAL X 411 14.070 33.095 8.685 1.00 29.38 C ATOM 370 O VAL X 411 13.407 32.048 8.681 1.00 26.32 O ATOM 371 CB VAL X 411 16.429 32.292 8.338 1.00 28.77 C ATOM 372 CG1 VAL X 411 16.320 32.721 6.884 1.00 26.04 C ATOM 373 CG2 VAL X 411 17.876 32.412 8.796 1.00 30.93 C ATOM 374 N SER X 412 13.605 34.244 8.215 1.00 30.74 N ATOM 375 CA SER X 412 12.287 34.339 7.617 1.00 30.40 C ATOM 376 C SER X 412 12.469 34.612 6.151 1.00 30.97 C ATOM 377 O SER X 412 12.892 35.701 5.770 1.00 32.75 O ATOM 378 CB SER X 412 11.497 35.474 8.254 1.00 32.32 C ATOM 379 OG SER X 412 10.217 35.561 7.664 1.00 30.67 O ATOM 380 N SER X 413 12.149 33.631 5.318 1.00 32.71 N ATOM 381 CA SER X 413 12.484 33.748 3.908 1.00 36.06 C ATOM 382 C SER X 413 11.430 33.181 2.959 1.00 34.36 C ATOM 383 O SER X 413 11.763 32.712 1.879 1.00 33.88 O ATOM 384 CB SER X 413 13.840 33.087 3.643 1.00 35.31 C ATOM 385 OG SER X 413 13.812 31.731 4.038 1.00 30.07 O ATOM 386 N GLY X 414 10.163 33.235 3.345 1.00 39.57 N ATOM 387 CA GLY X 414 9.099 32.835 2.435 1.00 38.90 C ATOM 388 C GLY X 414 8.517 31.498 2.829 1.00 41.72 C ATOM 389 O GLY X 414 7.486 31.054 2.309 1.00 44.21 O ATOM 390 N GLY X 415 9.179 30.836 3.764 1.00 42.65 N ATOM 391 CA GLY X 415 8.575 29.667 4.368 1.00 44.62 C ATOM 392 C GLY X 415 7.441 30.078 5.306 1.00 46.38 C ATOM 393 O GLY X 415 7.417 31.199 5.837 1.00 52.74 O ATOM 394 N TYR X 416 6.466 29.192 5.444 1.00 42.17 N ATOM 395 CA TYR X 416 5.609 29.141 6.624 1.00 43.10 C ATOM 396 C TYR X 416 4.624 30.263 6.944 1.00 40.51 C ATOM 397 O TYR X 416 4.151 30.314 8.076 1.00 43.56 O ATOM 398 CB TYR X 416 6.470 28.988 7.868 1.00 41.31 C ATOM 399 CG TYR X 416 7.125 27.654 8.070 1.00 37.66 C ATOM 400 CD1 TYR X 416 6.518 26.679 8.844 1.00 39.78 C ATOM 401 CD2 TYR X 416 8.379 27.394 7.539 1.00 36.10 C ATOM 402 CE1 TYR X 416 7.127 25.461 9.060 1.00 40.41 C ATOM 403 CE2 TYR X 416 8.997 26.179 7.752 1.00 37.47 C ATOM 404 CZ TYR X 416 8.369 25.224 8.511 1.00 36.29 C ATOM 405 OH TYR X 416 8.982 24.026 8.720 1.00 35.20 O ATOM 406 N ASN X 417 4.311 31.157 6.017 1.00 37.67 N ATOM 407 CA ASN X 417 3.306 32.178 6.335 1.00 37.64 C ATOM 408 C ASN X 417 3.706 33.049 7.517 1.00 34.76 C ATOM 409 O ASN X 417 2.889 33.308 8.411 1.00 32.19 O ATOM 410 CB ASN X 417 1.967 31.529 6.689 1.00 36.37 C ATOM 411 CG ASN X 417 1.400 30.712 5.565 1.00 44.40 C ATOM 412 OD1 ASN X 417 1.521 31.075 4.401 1.00 50.89 O ATOM 413 ND2 ASN X 417 0.773 29.595 5.906 1.00 45.69 N ATOM 414 N ASP X 418 4.961 33.471 7.548 1.00 32.55 N ATOM 415 CA ASP X 418 5.386 34.444 8.535 1.00 32.28 C ATOM 416 C ASP X 418 4.666 35.741 8.179 1.00 34.39 C ATOM 417 O ASP X 418 4.323 35.960 7.013 1.00 31.46 O ATOM 418 CB ASP X 418 6.891 34.665 8.457 1.00 29.67 C ATOM 419 CG ASP X 418 7.697 33.411 8.791 1.00 30.50 C ATOM 420 OD1 ASP X 418 7.294 32.638 9.677 1.00 28.00 O ATOM 421 OD2 ASP X 418 8.754 33.225 8.165 1.00 30.02 O ATOM 422 N VAL X 419 4.437 36.589 9.178 1.00 32.47 N ATOM 423 CA VAL X 419 3.857 37.909 8.946 1.00 32.53 C ATOM 424 C VAL X 419 4.915 38.977 9.172 1.00 34.96 C ATOM 425 O VAL X 419 5.292 39.264 10.309 1.00 30.96 O ATOM 426 CB VAL X 419 2.655 38.174 9.876 1.00 37.59 C ATOM 427 CG1 VAL X 419 2.072 39.560 9.621 1.00 35.63 C ATOM 428 CG2 VAL X 419 1.587 37.107 9.682 1.00 33.37 C ATOM 429 N LEU X 420 5.405 39.545 8.078 1.00 39.34 N ATOM 430 CA LEU X 420 6.399 40.600 8.139 1.00 41.91 C ATOM 431 C LEU X 420 5.903 41.862 7.431 1.00 49.09 C ATOM 432 O LEU X 420 5.917 41.928 6.206 1.00 54.91 O ATOM 433 CB LEU X 420 7.722 40.146 7.514 1.00 42.98 C ATOM 434 CG LEU X 420 8.611 39.268 8.399 1.00 50.28 C ATOM 435 CD1 LEU X 420 8.154 37.816 8.344 1.00 44.38 C ATOM 436 CD2 LEU X 420 10.078 39.375 8.002 1.00 50.51 C ATOM 437 N ASP X 421 5.454 42.851 8.198 1.00 46.76 N ATOM 438 CA ASP X 421 5.203 44.176 7.630 1.00 56.01 C ATOM 439 C ASP X 421 6.477 45.014 7.716 1.00 57.95 C ATOM 440 O ASP X 421 7.571 44.480 7.891 1.00 62.76 O ATOM 441 CB ASP X 421 4.003 44.891 8.282 1.00 49.73 C ATOM 442 CG ASP X 421 3.861 44.599 9.778 1.00 52.08 C ATOM 443 OD1 ASP X 421 2.716 44.586 10.289 1.00 50.73 O ATOM 444 OD2 ASP X 421 4.886 44.395 10.453 1.00 55.42 O ATOM 445 N ASN X 422 6.350 46.319 7.570 1.00 57.64 N ATOM 446 CA ASN X 422 7.507 47.177 7.728 1.00 55.91 C ATOM 447 C ASN X 422 7.461 47.853 9.089 1.00 53.00 C ATOM 448 O ASN X 422 7.949 48.969 9.262 1.00 59.59 O ATOM 449 CB ASN X 422 7.577 48.210 6.605 1.00 68.36 C ATOM 450 CG ASN X 422 7.765 47.574 5.240 1.00 72.97 C ATOM 451 OD1 ASN X 422 7.971 46.364 5.131 1.00 76.84 O ATOM 452 ND2 ASN X 422 7.695 48.388 4.191 1.00 74.01 N ATOM 453 N SER X 423 6.866 47.161 10.052 1.00 44.05 N ATOM 454 CA SER X 423 6.806 47.643 11.419 1.00 45.94 C ATOM 455 C SER X 423 7.874 46.963 12.274 1.00 39.49 C ATOM 456 O SER X 423 8.711 46.235 11.753 1.00 40.13 O ATOM 457 CB SER X 423 5.410 47.414 12.006 1.00 42.31 C ATOM 458 OG SER X 423 5.260 46.095 12.480 1.00 35.80 O ATOM 459 N ASP X 424 7.837 47.205 13.581 1.00 33.99 N ATOM 460 CA ASP X 424 8.793 46.609 14.509 1.00 38.46 C ATOM 461 C ASP X 424 8.357 45.222 14.990 1.00 34.52 C ATOM 462 O ASP X 424 9.064 44.569 15.745 1.00 35.91 O ATOM 463 CB ASP X 424 9.031 47.532 15.718 1.00 36.94 C ATOM 464 CG ASP X 424 7.734 47.945 16.420 1.00 36.59 C ATOM 465 OD1 ASP X 424 6.720 48.192 15.735 1.00 36.73 O ATOM 466 OD2 ASP X 424 7.731 48.041 17.667 1.00 37.40 O ATOM 467 N VAL X 425 7.192 44.767 14.554 1.00 31.60 N ATOM 468 CA VAL X 425 6.671 43.498 15.043 1.00 31.89 C ATOM 469 C VAL X 425 6.594 42.451 13.940 1.00 36.18 C ATOM 470 O VAL X 425 6.101 42.693 12.827 1.00 35.57 O ATOM 471 CB VAL X 425 5.286 43.666 15.711 1.00 36.32 C ATOM 472 CG1 VAL X 425 4.707 42.309 16.089 1.00 30.57 C ATOM 473 CG2 VAL X 425 5.390 44.571 16.939 1.00 30.51 C ATOM 474 N LEU X 426 7.086 41.272 14.261 1.00 34.76 N ATOM 475 CA LEU X 426 7.127 40.194 13.299 1.00 34.86 C ATOM 476 C LEU X 426 6.443 38.990 13.931 1.00 35.66 C ATOM 477 O LEU X 426 6.677 38.685 15.100 1.00 34.51 O ATOM 478 CB LEU X 426 8.590 39.906 12.954 1.00 36.42 C ATOM 479 CG LEU X 426 9.060 38.599 12.333 1.00 39.52 C ATOM 480 CD1 LEU X 426 10.440 38.818 11.774 1.00 45.78 C ATOM 481 CD2 LEU X 426 9.095 37.527 13.372 1.00 35.90 C ATOM 482 N ILE X 427 5.570 38.334 13.173 1.00 33.41 N ATOM 483 CA ILE X 427 4.995 37.069 13.604 1.00 29.46 C ATOM 484 C ILE X 427 5.708 35.933 12.868 1.00 32.93 C ATOM 485 O ILE X 427 5.714 35.877 11.636 1.00 28.29 O ATOM 486 CB ILE X 427 3.479 36.982 13.344 1.00 31.16 C ATOM 487 CG1 ILE X 427 2.765 38.247 13.840 1.00 33.46 C ATOM 488 CG2 ILE X 427 2.898 35.737 14.020 1.00 28.54 C ATOM 489 CD1 ILE X 427 3.040 38.568 15.302 1.00 34.18 C ATOM 490 N TYR X 428 6.314 35.039 13.642 1.00 32.31 N ATOM 491 CA TYR X 428 7.162 33.998 13.094 1.00 31.10 C ATOM 492 C TYR X 428 6.562 32.636 13.384 1.00 29.00 C ATOM 493 O TYR X 428 6.258 32.321 14.526 1.00 29.14 O ATOM 494 CB TYR X 428 8.565 34.089 13.692 1.00 29.79 C ATOM 495 CG TYR X 428 9.594 33.188 13.019 1.00 31.21 C ATOM 496 CD1 TYR X 428 10.095 33.492 11.764 1.00 26.87 C ATOM 497 CD2 TYR X 428 10.073 32.043 13.658 1.00 32.19 C ATOM 498 CE1 TYR X 428 11.034 32.682 11.154 1.00 28.76 C ATOM 499 CE2 TYR X 428 11.019 31.225 13.057 1.00 28.88 C ATOM 500 CZ TYR X 428 11.495 31.551 11.806 1.00 30.53 C ATOM 501 OH TYR X 428 12.434 30.752 11.203 1.00 30.67 O ATOM 502 N THR X 429 6.388 31.841 12.334 1.00 28.23 N ATOM 503 CA THR X 429 5.734 30.541 12.447 1.00 29.70 C ATOM 504 C THR X 429 6.709 29.499 12.985 1.00 28.77 C ATOM 505 O THR X 429 7.886 29.484 12.616 1.00 28.26 O ATOM 506 CB THR X 429 5.182 30.086 11.074 1.00 34.00 C ATOM 507 OG1 THR X 429 4.388 31.136 10.499 1.00 30.29 O ATOM 508 CG2 THR X 429 4.315 28.828 11.203 1.00 30.39 C ATOM 509 N GLY X 430 6.236 28.639 13.874 1.00 29.34 N ATOM 510 CA GLY X 430 7.060 27.550 14.358 1.00 29.87 C ATOM 511 C GLY X 430 7.448 26.633 13.215 1.00 31.57 C ATOM 512 O GLY X 430 6.808 26.655 12.161 1.00 28.31 O ATOM 513 N GLN X 431 8.492 25.829 13.414 1.00 28.06 N ATOM 514 CA GLN X 431 8.960 24.921 12.363 1.00 30.82 C ATOM 515 C GLN X 431 8.311 23.548 12.510 1.00 34.18 C ATOM 516 O GLN X 431 7.847 23.181 13.591 1.00 36.88 O ATOM 517 CB GLN X 431 10.490 24.794 12.375 1.00 31.12 C ATOM 518 CG GLN X 431 11.028 24.178 13.635 1.00 32.29 C ATOM 519 CD GLN X 431 12.553 24.033 13.659 1.00 40.52 C ATOM 520 OE1 GLN X 431 13.263 24.391 12.706 1.00 38.84 O ATOM 521 NE2 GLN X 431 13.060 23.506 14.763 1.00 34.90 N ATOM 522 N GLY X 432 8.261 22.798 11.416 1.00 35.94 N ATOM 523 CA GLY X 432 7.759 21.437 11.470 1.00 39.71 C ATOM 524 C GLY X 432 6.276 21.275 11.199 1.00 42.75 C ATOM 525 O GLY X 432 5.615 22.181 10.695 1.00 42.52 O ATOM 526 N GLY X 433 5.752 20.098 11.523 1.00 41.68 N ATOM 527 CA GLY X 433 4.369 19.777 11.247 1.00 46.89 C ATOM 528 C GLY X 433 4.102 19.651 9.761 1.00 50.14 C ATOM 529 O GLY X 433 2.957 19.610 9.327 1.00 54.60 O ATOM 530 N ASN X 434 5.167 19.591 8.974 1.00 49.14 N ATOM 531 CA ASN X 434 5.035 19.530 7.525 1.00 50.81 C ATOM 532 C ASN X 434 4.365 20.776 6.951 1.00 55.86 C ATOM 533 O ASN X 434 3.994 20.800 5.778 1.00 61.01 O ATOM 534 CB ASN X 434 4.283 18.267 7.094 1.00 60.14 C ATOM 535 CG ASN X 434 5.113 17.002 7.270 1.00 58.87 C ATOM 536 OD1 ASN X 434 6.339 17.033 7.180 1.00 58.92 O ATOM 537 ND2 ASN X 434 4.446 15.886 7.522 1.00 63.81 N ATOM 538 N VAL X 435 4.208 21.807 7.780 1.00 49.12 N ATOM 539 CA VAL X 435 3.700 23.092 7.312 1.00 51.85 C ATOM 540 C VAL X 435 4.676 23.632 6.259 1.00 55.02 C ATOM 541 O VAL X 435 5.755 23.068 6.057 1.00 52.57 O ATOM 542 CB VAL X 435 3.565 24.107 8.478 1.00 51.04 C ATOM 543 CG1 VAL X 435 2.776 25.323 8.048 1.00 56.00 C ATOM 544 CG2 VAL X 435 2.898 23.460 9.677 1.00 46.87 C ATOM 545 N GLY X 436 4.299 24.713 5.587 1.00 51.83 N ATOM 546 CA GLY X 436 5.129 25.285 4.537 1.00 63.72 C ATOM 547 C GLY X 436 6.362 24.478 4.154 1.00 60.98 C ATOM 548 O GLY X 436 6.414 23.849 3.094 1.00 64.45 O ATOM 549 N GLU X 442 4.632 14.935 2.449 1.00 67.70 N ATOM 550 CA GLU X 442 4.087 14.251 3.620 1.00 74.42 C ATOM 551 C GLU X 442 2.827 14.957 4.134 1.00 74.74 C ATOM 552 O GLU X 442 2.569 16.110 3.778 1.00 75.73 O ATOM 553 CB GLU X 442 5.146 14.150 4.717 1.00 71.08 C ATOM 554 N PRO X 443 2.030 14.265 4.966 1.00 75.24 N ATOM 555 CA PRO X 443 0.763 14.830 5.440 1.00 73.63 C ATOM 556 C PRO X 443 0.969 15.748 6.644 1.00 71.63 C ATOM 557 O PRO X 443 1.967 15.606 7.348 1.00 68.29 O ATOM 558 CB PRO X 443 -0.042 13.589 5.872 1.00 72.67 C ATOM 559 CG PRO X 443 0.816 12.390 5.538 1.00 74.65 C ATOM 560 CD PRO X 443 2.221 12.892 5.455 1.00 75.86 C ATOM 561 N PRO X 444 0.034 16.683 6.872 1.00 67.99 N ATOM 562 CA PRO X 444 0.020 17.601 8.019 1.00 66.18 C ATOM 563 C PRO X 444 -0.038 16.901 9.381 1.00 61.34 C ATOM 564 O PRO X 444 -0.722 15.891 9.529 1.00 64.05 O ATOM 565 CB PRO X 444 -1.256 18.413 7.792 1.00 64.24 C ATOM 566 CG PRO X 444 -1.444 18.396 6.329 1.00 63.45 C ATOM 567 CD PRO X 444 -0.997 17.035 5.882 1.00 69.87 C ATOM 568 N LYS X 445 0.671 17.461 10.360 1.00 56.47 N ATOM 569 CA LYS X 445 0.738 16.920 11.715 1.00 55.57 C ATOM 570 C LYS X 445 1.035 18.045 12.718 1.00 50.13 C ATOM 571 O LYS X 445 1.476 19.124 12.333 1.00 49.63 O ATOM 572 CB LYS X 445 1.835 15.858 11.791 1.00 58.80 C ATOM 573 CG LYS X 445 3.217 16.381 11.389 1.00 58.91 C ATOM 574 CD LYS X 445 4.259 15.269 11.344 1.00 66.19 C ATOM 575 CE LYS X 445 4.315 14.509 12.662 1.00 63.27 C ATOM 576 NZ LYS X 445 4.873 15.332 13.777 1.00 71.94 N ATOM 577 N ASP X 446 0.802 17.792 14.000 1.00 42.55 N ATOM 578 CA ASP X 446 1.037 18.804 15.017 1.00 45.82 C ATOM 579 C ASP X 446 2.503 19.241 15.047 1.00 53.70 C ATOM 580 O ASP X 446 3.415 18.404 14.982 1.00 51.29 O ATOM 581 CB ASP X 446 0.635 18.291 16.407 1.00 45.94 C ATOM 582 CG ASP X 446 -0.868 18.334 16.646 1.00 49.20 C ATOM 583 OD1 ASP X 446 -1.634 18.441 15.665 1.00 53.06 O ATOM 584 OD2 ASP X 446 -1.289 18.260 17.822 1.00 51.68 O ATOM 585 N GLN X 447 2.730 20.552 15.147 1.00 47.03 N ATOM 586 CA GLN X 447 4.061 21.055 15.459 1.00 41.86 C ATOM 587 C GLN X 447 4.379 20.696 16.902 1.00 42.03 C ATOM 588 O GLN X 447 3.472 20.492 17.700 1.00 44.56 O ATOM 589 CB GLN X 447 4.151 22.570 15.244 1.00 41.80 C ATOM 590 CG GLN X 447 4.156 22.982 13.775 1.00 35.87 C ATOM 591 CD GLN X 447 4.638 24.397 13.575 1.00 35.53 C ATOM 592 OE1 GLN X 447 4.586 25.216 14.493 1.00 34.14 O ATOM 593 NE2 GLN X 447 5.116 24.696 12.372 1.00 34.26 N ATOM 594 N GLN X 448 5.663 20.622 17.238 1.00 43.51 N ATOM 595 CA GLN X 448 6.074 20.179 18.567 1.00 43.78 C ATOM 596 C GLN X 448 6.941 21.208 19.274 1.00 46.12 C ATOM 597 O GLN X 448 7.846 21.794 18.671 1.00 43.49 O ATOM 598 CB GLN X 448 6.839 18.855 18.469 1.00 48.88 C ATOM 599 CG GLN X 448 5.960 17.622 18.336 1.00 49.15 C ATOM 600 CD GLN X 448 5.230 17.304 19.626 1.00 60.72 C ATOM 601 OE1 GLN X 448 5.656 16.435 20.396 1.00 64.62 O ATOM 602 NE2 GLN X 448 4.135 18.019 19.882 1.00 56.13 N ATOM 603 N LEU X 449 6.663 21.410 20.558 1.00 40.32 N ATOM 604 CA LEU X 449 7.417 22.345 21.381 1.00 43.77 C ATOM 605 C LEU X 449 8.753 21.752 21.847 1.00 46.33 C ATOM 606 O LEU X 449 8.989 21.571 23.041 1.00 45.25 O ATOM 607 CB LEU X 449 6.574 22.772 22.582 1.00 42.59 C ATOM 608 CG LEU X 449 6.920 24.080 23.285 1.00 45.64 C ATOM 609 CD1 LEU X 449 7.077 25.213 22.275 1.00 44.23 C ATOM 610 CD2 LEU X 449 5.833 24.409 24.287 1.00 44.14 C ATOM 611 N VAL X 450 9.623 21.456 20.890 1.00 42.66 N ATOM 612 CA VAL X 450 10.960 20.965 21.185 1.00 43.53 C ATOM 613 C VAL X 450 11.947 21.727 20.326 1.00 45.16 C ATOM 614 O VAL X 450 11.548 22.506 19.455 1.00 45.51 O ATOM 615 CB VAL X 450 11.106 19.468 20.828 1.00 48.43 C ATOM 616 CG1 VAL X 450 10.013 18.628 21.504 1.00 42.61 C ATOM 617 CG2 VAL X 450 11.070 19.288 19.324 1.00 42.19 C ATOM 618 N THR X 451 13.236 21.498 20.560 1.00 43.84 N ATOM 619 CA THR X 451 14.264 22.028 19.683 1.00 41.71 C ATOM 620 C THR X 451 14.064 23.537 19.490 1.00 43.08 C ATOM 621 O THR X 451 13.843 24.255 20.461 1.00 42.70 O ATOM 622 CB THR X 451 14.229 21.285 18.333 1.00 49.73 C ATOM 623 OG1 THR X 451 14.209 19.871 18.578 1.00 61.31 O ATOM 624 CG2 THR X 451 15.451 21.602 17.505 1.00 53.76 C ATOM 625 N GLY X 452 14.124 24.004 18.242 1.00 45.79 N ATOM 626 CA GLY X 452 14.069 25.426 17.924 1.00 39.14 C ATOM 627 C GLY X 452 12.799 26.117 18.383 1.00 37.37 C ATOM 628 O GLY X 452 12.839 27.264 18.821 1.00 34.90 O ATOM 629 N ASN X 453 11.669 25.421 18.280 1.00 38.32 N ATOM 630 CA ASN X 453 10.398 25.950 18.770 1.00 37.59 C ATOM 631 C ASN X 453 10.435 26.200 20.269 1.00 39.97 C ATOM 632 O ASN X 453 10.021 27.257 20.744 1.00 38.58 O ATOM 633 CB ASN X 453 9.244 25.010 18.426 1.00 32.79 C ATOM 634 CG ASN X 453 8.941 24.981 16.949 1.00 34.97 C ATOM 635 OD1 ASN X 453 9.389 25.852 16.200 1.00 33.39 O ATOM 636 ND2 ASN X 453 8.170 23.981 16.515 1.00 34.59 N ATOM 637 N LEU X 454 10.940 25.219 21.009 1.00 41.33 N ATOM 638 CA LEU X 454 11.089 25.344 22.449 1.00 40.16 C ATOM 639 C LEU X 454 12.116 26.415 22.822 1.00 37.58 C ATOM 640 O LEU X 454 11.948 27.135 23.801 1.00 38.07 O ATOM 641 CB LEU X 454 11.505 24.006 23.054 1.00 40.72 C ATOM 642 CG LEU X 454 12.024 24.104 24.487 1.00 42.34 C ATOM 643 CD1 LEU X 454 10.879 24.460 25.420 1.00 40.20 C ATOM 644 CD2 LEU X 454 12.674 22.798 24.900 1.00 43.01 C ATOM 645 N ALA X 455 13.189 26.515 22.053 1.00 37.52 N ATOM 646 CA ALA X 455 14.186 27.543 22.324 1.00 36.24 C ATOM 647 C ALA X 455 13.603 28.949 22.162 1.00 40.29 C ATOM 648 O ALA X 455 13.863 29.833 22.981 1.00 43.82 O ATOM 649 CB ALA X 455 15.381 27.364 21.435 1.00 37.24 C ATOM 650 N LEU X 456 12.822 29.165 21.106 1.00 38.01 N ATOM 651 CA LEU X 456 12.199 30.469 20.910 1.00 37.67 C ATOM 652 C LEU X 456 11.296 30.773 22.092 1.00 37.86 C ATOM 653 O LEU X 456 11.279 31.891 22.593 1.00 39.48 O ATOM 654 CB LEU X 456 11.395 30.535 19.608 1.00 32.51 C ATOM 655 CG LEU X 456 12.143 30.873 18.320 1.00 32.74 C ATOM 656 CD1 LEU X 456 11.187 30.895 17.129 1.00 31.62 C ATOM 657 CD2 LEU X 456 12.872 32.203 18.441 1.00 29.62 C ATOM 658 N LYS X 457 10.548 29.769 22.533 1.00 39.53 N ATOM 659 CA LYS X 457 9.634 29.928 23.655 1.00 40.55 C ATOM 660 C LYS X 457 10.389 30.327 24.916 1.00 43.60 C ATOM 661 O LYS X 457 10.047 31.310 25.569 1.00 46.21 O ATOM 662 CB LYS X 457 8.867 28.635 23.916 1.00 39.80 C ATOM 663 CG LYS X 457 7.911 28.744 25.090 1.00 44.36 C ATOM 664 CD LYS X 457 7.823 27.447 25.873 1.00 51.17 C ATOM 665 CE LYS X 457 7.173 27.668 27.232 1.00 53.20 C ATOM 666 NZ LYS X 457 5.726 27.982 27.074 1.00 54.88 N ATOM 667 N ASN X 458 11.415 29.555 25.254 1.00 40.66 N ATOM 668 CA ASN X 458 12.251 29.865 26.402 1.00 44.58 C ATOM 669 C ASN X 458 12.825 31.278 26.303 1.00 49.01 C ATOM 670 O ASN X 458 13.030 31.944 27.317 1.00 47.92 O ATOM 671 CB ASN X 458 13.389 28.844 26.535 1.00 45.76 C ATOM 672 CG ASN X 458 12.893 27.452 26.911 1.00 45.72 C ATOM 673 OD1 ASN X 458 11.793 27.289 27.443 1.00 44.48 O ATOM 674 ND2 ASN X 458 13.709 26.442 26.635 1.00 43.68 N ATOM 675 N SER X 459 13.079 31.742 25.081 1.00 44.70 N ATOM 676 CA SER X 459 13.679 33.061 24.902 1.00 41.69 C ATOM 677 C SER X 459 12.751 34.185 25.355 1.00 43.67 C ATOM 678 O SER X 459 13.175 35.327 25.526 1.00 47.49 O ATOM 679 CB SER X 459 14.125 33.271 23.458 1.00 41.44 C ATOM 680 OG SER X 459 15.391 32.676 23.227 1.00 42.18 O ATOM 681 N ILE X 460 11.484 33.864 25.553 1.00 40.86 N ATOM 682 CA ILE X 460 10.552 34.843 26.094 1.00 45.53 C ATOM 683 C ILE X 460 10.955 35.198 27.528 1.00 50.28 C ATOM 684 O ILE X 460 11.093 36.373 27.870 1.00 49.53 O ATOM 685 CB ILE X 460 9.106 34.324 26.064 1.00 42.21 C ATOM 686 CG1 ILE X 460 8.683 34.005 24.625 1.00 42.89 C ATOM 687 CG2 ILE X 460 8.152 35.340 26.689 1.00 44.06 C ATOM 688 CD1 ILE X 460 7.407 33.158 24.531 1.00 39.19 C ATOM 689 N ASN X 461 11.163 34.178 28.358 1.00 53.44 N ATOM 690 CA ASN X 461 11.591 34.402 29.738 1.00 52.89 C ATOM 691 C ASN X 461 12.997 34.976 29.859 1.00 52.25 C ATOM 692 O ASN X 461 13.230 35.875 30.662 1.00 56.69 O ATOM 693 CB ASN X 461 11.460 33.130 30.575 1.00 58.65 C ATOM 694 CG ASN X 461 10.171 33.093 31.377 1.00 63.77 C ATOM 695 OD1 ASN X 461 9.099 33.438 30.875 1.00 62.78 O ATOM 696 ND2 ASN X 461 10.272 32.682 32.640 1.00 73.06 N ATOM 697 N LYS X 462 13.928 34.472 29.052 1.00 52.39 N ATOM 698 CA LYS X 462 15.311 34.942 29.104 1.00 47.91 C ATOM 699 C LYS X 462 15.473 36.384 28.645 1.00 51.36 C ATOM 700 O LYS X 462 16.424 37.064 29.045 1.00 51.64 O ATOM 701 CB LYS X 462 16.230 34.038 28.282 1.00 47.95 C ATOM 702 CG LYS X 462 16.312 32.618 28.795 1.00 57.32 C ATOM 703 CD LYS X 462 16.852 32.564 30.219 1.00 66.79 C ATOM 704 CE LYS X 462 18.312 33.008 30.282 1.00 66.16 C ATOM 705 NZ LYS X 462 18.911 32.733 31.625 1.00 70.85 N ATOM 706 N LYS X 463 14.555 36.846 27.800 1.00 48.65 N ATOM 707 CA LYS X 463 14.635 38.195 27.243 1.00 45.39 C ATOM 708 C LYS X 463 15.948 38.429 26.519 1.00 44.74 C ATOM 709 O LYS X 463 16.441 39.555 26.462 1.00 46.40 O ATOM 710 CB LYS X 463 14.471 39.261 28.332 1.00 50.55 C ATOM 711 CG LYS X 463 13.136 39.226 29.080 1.00 57.62 C ATOM 712 CD LYS X 463 12.946 40.481 29.939 1.00 54.98 C ATOM 713 CE LYS X 463 11.851 40.293 30.982 1.00 61.02 C ATOM 714 NZ LYS X 463 10.547 39.882 30.387 1.00 64.70 N ATOM 715 N ASN X 464 16.527 37.372 25.965 1.00 43.06 N ATOM 716 CA ASN X 464 17.774 37.531 25.230 1.00 39.08 C ATOM 717 C ASN X 464 17.506 38.051 23.821 1.00 44.80 C ATOM 718 O ASN X 464 16.461 37.760 23.233 1.00 44.45 O ATOM 719 CB ASN X 464 18.540 36.206 25.171 1.00 42.67 C ATOM 720 CG ASN X 464 17.806 35.131 24.361 1.00 42.59 C ATOM 721 OD1 ASN X 464 16.827 34.537 24.823 1.00 39.31 O ATOM 722 ND2 ASN X 464 18.294 34.873 23.152 1.00 39.31 N ATOM 723 N PRO X 465 18.442 38.832 23.274 1.00 41.37 N ATOM 724 CA PRO X 465 18.309 39.229 21.873 1.00 38.22 C ATOM 725 C PRO X 465 18.373 38.016 20.952 1.00 40.23 C ATOM 726 O PRO X 465 18.996 37.001 21.290 1.00 38.29 O ATOM 727 CB PRO X 465 19.530 40.125 21.637 1.00 35.89 C ATOM 728 CG PRO X 465 19.967 40.561 22.990 1.00 42.86 C ATOM 729 CD PRO X 465 19.602 39.459 23.931 1.00 43.25 C ATOM 730 N VAL X 466 17.726 38.146 19.795 1.00 40.28 N ATOM 731 CA VAL X 466 17.642 37.102 18.782 1.00 33.86 C ATOM 732 C VAL X 466 17.899 37.771 17.445 1.00 34.38 C ATOM 733 O VAL X 466 17.206 38.723 17.088 1.00 36.54 O ATOM 734 CB VAL X 466 16.223 36.492 18.724 1.00 35.41 C ATOM 735 CG1 VAL X 466 16.110 35.460 17.600 1.00 32.03 C ATOM 736 CG2 VAL X 466 15.838 35.891 20.050 1.00 36.42 C ATOM 737 N ARG X 467 18.888 37.295 16.702 1.00 26.76 N ATOM 738 CA ARG X 467 19.162 37.899 15.417 1.00 29.16 C ATOM 739 C ARG X 467 18.074 37.476 14.439 1.00 37.20 C ATOM 740 O ARG X 467 17.620 36.326 14.452 1.00 31.60 O ATOM 741 CB ARG X 467 20.534 37.488 14.900 1.00 30.66 C ATOM 742 CG ARG X 467 21.697 37.940 15.787 1.00 37.19 C ATOM 743 CD ARG X 467 23.042 37.535 15.199 1.00 36.49 C ATOM 744 NE ARG X 467 23.261 36.097 15.294 1.00 35.22 N ATOM 745 CZ ARG X 467 23.701 35.490 16.390 1.00 37.40 C ATOM 746 NH1 ARG X 467 23.970 36.208 17.471 1.00 40.76 N ATOM 747 NH2 ARG X 467 23.872 34.174 16.411 1.00 33.31 N ATOM 748 N VAL X 468 17.649 38.412 13.600 1.00 32.02 N ATOM 749 CA VAL X 468 16.644 38.120 12.600 1.00 32.41 C ATOM 750 C VAL X 468 17.236 38.361 11.227 1.00 33.12 C ATOM 751 O VAL X 468 17.745 39.444 10.942 1.00 36.04 O ATOM 752 CB VAL X 468 15.354 38.942 12.819 1.00 29.74 C ATOM 753 CG1 VAL X 468 14.394 38.772 11.650 1.00 31.59 C ATOM 754 CG2 VAL X 468 14.677 38.495 14.102 1.00 31.56 C ATOM 755 N ILE X 469 17.208 37.324 10.396 1.00 29.78 N ATOM 756 CA ILE X 469 17.623 37.434 9.008 1.00 30.02 C ATOM 757 C ILE X 469 16.372 37.268 8.152 1.00 34.24 C ATOM 758 O ILE X 469 15.524 36.412 8.427 1.00 31.01 O ATOM 759 CB ILE X 469 18.663 36.370 8.619 1.00 30.05 C ATOM 760 CG1 ILE X 469 19.959 36.529 9.424 1.00 35.50 C ATOM 761 CG2 ILE X 469 18.979 36.463 7.139 1.00 33.04 C ATOM 762 CD1 ILE X 469 19.887 35.977 10.845 1.00 36.29 C ATOM 763 N ARG X 470 16.240 38.105 7.133 1.00 33.44 N ATOM 764 CA ARG X 470 15.070 38.065 6.266 1.00 36.77 C ATOM 765 C ARG X 470 15.487 37.700 4.844 1.00 36.46 C ATOM 766 O ARG X 470 16.460 38.241 4.322 1.00 35.05 O ATOM 767 CB ARG X 470 14.351 39.414 6.301 1.00 36.92 C ATOM 768 CG ARG X 470 13.233 39.570 5.283 1.00 46.12 C ATOM 769 CD ARG X 470 12.305 40.739 5.643 1.00 50.68 C ATOM 770 NE ARG X 470 13.046 41.931 6.059 1.00 58.61 N ATOM 771 CZ ARG X 470 13.536 42.839 5.216 1.00 61.16 C ATOM 772 NH1 ARG X 470 13.365 42.691 3.909 1.00 63.60 N ATOM 773 NH2 ARG X 470 14.200 43.894 5.676 1.00 58.66 N ATOM 774 N GLY X 471 14.776 36.748 4.244 1.00 36.01 N ATOM 775 CA GLY X 471 15.030 36.343 2.872 1.00 36.77 C ATOM 776 C GLY X 471 14.463 37.377 1.915 1.00 48.22 C ATOM 777 O GLY X 471 13.329 37.820 2.088 1.00 54.57 O ATOM 778 N ILE X 472 15.246 37.773 0.915 1.00 43.50 N ATOM 779 CA ILE X 472 14.813 38.779 -0.053 1.00 50.55 C ATOM 780 C ILE X 472 14.740 38.226 -1.483 1.00 56.28 C ATOM 781 O ILE X 472 15.708 37.650 -1.988 1.00 54.85 O ATOM 782 CB ILE X 472 15.733 40.025 -0.022 1.00 53.14 C ATOM 783 CG1 ILE X 472 17.205 39.613 -0.070 1.00 50.83 C ATOM 784 CG2 ILE X 472 15.485 40.844 1.234 1.00 51.88 C ATOM 785 CD1 ILE X 472 18.160 40.783 -0.160 1.00 50.26 C ATOM 786 N LYS X 473 13.588 38.405 -2.128 1.00 57.67 N ATOM 787 CA LYS X 473 13.359 37.894 -3.483 1.00 59.64 C ATOM 788 C LYS X 473 14.506 38.210 -4.447 1.00 66.41 C ATOM 789 O LYS X 473 15.062 39.313 -4.435 1.00 68.53 O ATOM 790 CB LYS X 473 12.045 38.443 -4.045 1.00 57.24 C ATOM 791 N LYS X 484 22.242 39.582 -1.684 1.00 51.40 N ATOM 792 CA LYS X 484 21.218 39.446 -2.715 1.00 56.53 C ATOM 793 C LYS X 484 20.037 38.542 -2.325 1.00 55.86 C ATOM 794 O LYS X 484 18.928 38.739 -2.819 1.00 58.86 O ATOM 795 CB LYS X 484 21.830 39.006 -4.057 1.00 59.18 C ATOM 796 CG LYS X 484 22.876 37.903 -3.958 1.00 58.12 C ATOM 797 CD LYS X 484 23.270 37.370 -5.332 1.00 60.62 C ATOM 798 CE LYS X 484 24.160 38.344 -6.099 1.00 62.60 C ATOM 799 NZ LYS X 484 23.408 39.480 -6.716 1.00 63.24 N ATOM 800 N ASN X 485 20.262 37.570 -1.442 1.00 53.36 N ATOM 801 CA ASN X 485 19.181 36.672 -0.991 1.00 47.73 C ATOM 802 C ASN X 485 18.765 36.830 0.471 1.00 43.21 C ATOM 803 O ASN X 485 17.664 36.457 0.847 1.00 45.55 O ATOM 804 CB ASN X 485 19.563 35.212 -1.215 1.00 45.23 C ATOM 805 CG ASN X 485 19.582 34.836 -2.667 1.00 50.98 C ATOM 806 OD1 ASN X 485 20.451 34.081 -3.112 1.00 47.52 O ATOM 807 ND2 ASN X 485 18.620 35.357 -3.424 1.00 50.91 N ATOM 808 N TYR X 486 19.656 37.355 1.300 1.00 42.14 N ATOM 809 CA TYR X 486 19.359 37.509 2.713 1.00 42.05 C ATOM 810 C TYR X 486 19.856 38.835 3.244 1.00 40.62 C ATOM 811 O TYR X 486 20.894 39.326 2.813 1.00 40.18 O ATOM 812 CB TYR X 486 19.989 36.373 3.507 1.00 36.66 C ATOM 813 CG TYR X 486 19.511 35.016 3.072 1.00 41.12 C ATOM 814 CD1 TYR X 486 18.322 34.484 3.567 1.00 39.12 C ATOM 815 CD2 TYR X 486 20.243 34.263 2.162 1.00 41.65 C ATOM 816 CE1 TYR X 486 17.878 33.242 3.167 1.00 36.05 C ATOM 817 CE2 TYR X 486 19.814 33.018 1.765 1.00 43.28 C ATOM 818 CZ TYR X 486 18.631 32.513 2.266 1.00 41.44 C ATOM 819 OH TYR X 486 18.202 31.275 1.855 1.00 42.53 O ATOM 820 N VAL X 487 19.109 39.413 4.179 1.00 38.18 N ATOM 821 CA VAL X 487 19.552 40.637 4.843 1.00 39.93 C ATOM 822 C VAL X 487 19.499 40.466 6.342 1.00 37.40 C ATOM 823 O VAL X 487 18.551 39.892 6.878 1.00 37.99 O ATOM 824 CB VAL X 487 18.678 41.866 4.492 1.00 44.60 C ATOM 825 CG1 VAL X 487 19.457 43.163 4.764 1.00 40.24 C ATOM 826 CG2 VAL X 487 18.229 41.813 3.055 1.00 45.89 C ATOM 827 N TYR X 488 20.523 40.959 7.021 1.00 36.65 N ATOM 828 CA TYR X 488 20.515 40.977 8.467 1.00 35.82 C ATOM 829 C TYR X 488 19.610 42.112 8.904 1.00 42.42 C ATOM 830 O TYR X 488 19.752 43.241 8.439 1.00 43.91 O ATOM 831 CB TYR X 488 21.922 41.185 9.014 1.00 38.05 C ATOM 832 CG TYR X 488 21.946 41.329 10.513 1.00 41.79 C ATOM 833 CD1 TYR X 488 21.268 40.429 11.322 1.00 37.70 C ATOM 834 CD2 TYR X 488 22.635 42.368 11.122 1.00 39.24 C ATOM 835 CE1 TYR X 488 21.283 40.554 12.695 1.00 37.06 C ATOM 836 CE2 TYR X 488 22.665 42.492 12.492 1.00 38.35 C ATOM 837 CZ TYR X 488 21.987 41.585 13.272 1.00 37.64 C ATOM 838 OH TYR X 488 22.015 41.708 14.634 1.00 39.87 O ATOM 839 N ASP X 489 18.682 41.816 9.803 1.00 42.77 N ATOM 840 CA ASP X 489 17.616 42.761 10.120 1.00 42.73 C ATOM 841 C ASP X 489 17.803 43.443 11.466 1.00 42.88 C ATOM 842 O ASP X 489 17.157 44.447 11.747 1.00 46.74 O ATOM 843 CB ASP X 489 16.276 42.034 10.129 1.00 41.19 C ATOM 844 CG ASP X 489 15.146 42.885 9.601 1.00 54.32 C ATOM 845 OD1 ASP X 489 14.214 43.177 10.393 1.00 51.67 O ATOM 846 OD2 ASP X 489 15.191 43.246 8.396 1.00 57.70 O ATOM 847 N GLY X 490 18.667 42.886 12.305 1.00 39.43 N ATOM 848 CA GLY X 490 18.881 43.430 13.630 1.00 41.14 C ATOM 849 C GLY X 490 18.404 42.499 14.722 1.00 35.56 C ATOM 850 O GLY X 490 18.069 41.344 14.459 1.00 37.03 O ATOM 851 N LEU X 491 18.367 43.000 15.951 1.00 34.18 N ATOM 852 CA LEU X 491 18.001 42.173 17.092 1.00 34.42 C ATOM 853 C LEU X 491 16.544 42.365 17.478 1.00 35.99 C ATOM 854 O LEU X 491 15.996 43.456 17.369 1.00 36.07 O ATOM 855 CB LEU X 491 18.898 42.473 18.295 1.00 35.65 C ATOM 856 CG LEU X 491 20.401 42.305 18.059 1.00 41.57 C ATOM 857 CD1 LEU X 491 21.185 42.914 19.206 1.00 38.35 C ATOM 858 CD2 LEU X 491 20.780 40.831 17.847 1.00 36.66 C ATOM 859 N TYR X 492 15.937 41.286 17.950 1.00 36.04 N ATOM 860 CA TYR X 492 14.557 41.292 18.383 1.00 33.56 C ATOM 861 C TYR X 492 14.494 40.535 19.690 1.00 32.99 C ATOM 862 O TYR X 492 15.393 39.751 20.001 1.00 36.16 O ATOM 863 CB TYR X 492 13.682 40.546 17.369 1.00 32.55 C ATOM 864 CG TYR X 492 13.418 41.251 16.055 1.00 31.09 C ATOM 865 CD1 TYR X 492 12.120 41.583 15.681 1.00 28.65 C ATOM 866 CD2 TYR X 492 14.451 41.561 15.185 1.00 28.80 C ATOM 867 CE1 TYR X 492 11.857 42.208 14.484 1.00 28.83 C ATOM 868 CE2 TYR X 492 14.201 42.187 13.984 1.00 31.06 C ATOM 869 CZ TYR X 492 12.900 42.502 13.638 1.00 32.35 C ATOM 870 OH TYR X 492 12.637 43.127 12.447 1.00 35.11 O ATOM 871 N LEU X 493 13.424 40.765 20.442 1.00 30.62 N ATOM 872 CA LEU X 493 13.066 39.929 21.571 1.00 33.45 C ATOM 873 C LEU X 493 11.798 39.177 21.205 1.00 34.53 C ATOM 874 O LEU X 493 10.963 39.695 20.459 1.00 36.59 O ATOM 875 CB LEU X 493 12.811 40.788 22.821 1.00 35.91 C ATOM 876 CG LEU X 493 14.016 41.612 23.298 1.00 43.87 C ATOM 877 CD1 LEU X 493 13.638 42.636 24.373 1.00 41.39 C ATOM 878 CD2 LEU X 493 15.133 40.702 23.779 1.00 39.21 C ATOM 879 N VAL X 494 11.662 37.958 21.723 1.00 35.52 N ATOM 880 CA VAL X 494 10.424 37.190 21.622 1.00 34.95 C ATOM 881 C VAL X 494 9.535 37.638 22.770 1.00 34.55 C ATOM 882 O VAL X 494 9.953 37.592 23.917 1.00 39.39 O ATOM 883 CB VAL X 494 10.704 35.653 21.732 1.00 39.24 C ATOM 884 CG1 VAL X 494 9.491 34.851 21.314 1.00 34.76 C ATOM 885 CG2 VAL X 494 11.907 35.264 20.876 1.00 31.14 C ATOM 886 N GLU X 495 8.318 38.085 22.471 1.00 36.40 N ATOM 887 CA GLU X 495 7.428 38.620 23.504 1.00 37.95 C ATOM 888 C GLU X 495 6.359 37.627 23.938 1.00 41.76 C ATOM 889 O GLU X 495 5.875 37.664 25.073 1.00 43.28 O ATOM 890 CB GLU X 495 6.771 39.922 23.036 1.00 38.01 C ATOM 891 CG GLU X 495 7.772 40.989 22.644 1.00 40.94 C ATOM 892 CD GLU X 495 7.176 42.384 22.594 1.00 40.86 C ATOM 893 OE1 GLU X 495 6.023 42.534 22.152 1.00 43.58 O ATOM 894 OE2 GLU X 495 7.877 43.337 22.983 1.00 45.86 O ATOM 895 N GLU X 496 5.977 36.742 23.034 1.00 34.04 N ATOM 896 CA GLU X 496 5.014 35.718 23.379 1.00 37.06 C ATOM 897 C GLU X 496 4.887 34.728 22.242 1.00 36.47 C ATOM 898 O GLU X 496 5.410 34.939 21.160 1.00 33.40 O ATOM 899 CB GLU X 496 3.643 36.337 23.633 1.00 39.18 C ATOM 900 CG GLU X 496 2.986 36.823 22.364 1.00 40.18 C ATOM 901 CD GLU X 496 1.556 37.247 22.576 1.00 46.29 C ATOM 902 OE1 GLU X 496 1.053 38.052 21.771 1.00 43.46 O ATOM 903 OE2 GLU X 496 0.936 36.779 23.549 1.00 54.15 O ATOM 904 N TYR X 497 4.170 33.650 22.503 1.00 33.52 N ATOM 905 CA TYR X 497 3.867 32.694 21.479 1.00 34.62 C ATOM 906 C TYR X 497 2.455 32.224 21.760 1.00 38.92 C ATOM 907 O TYR X 497 1.924 32.434 22.857 1.00 39.21 O ATOM 908 CB TYR X 497 4.857 31.533 21.551 1.00 37.10 C ATOM 909 CG TYR X 497 4.498 30.473 22.574 1.00 39.79 C ATOM 910 CD1 TYR X 497 4.162 29.195 22.172 1.00 39.30 C ATOM 911 CD2 TYR X 497 4.490 30.758 23.938 1.00 43.91 C ATOM 912 CE1 TYR X 497 3.825 28.224 23.085 1.00 42.73 C ATOM 913 CE2 TYR X 497 4.156 29.781 24.870 1.00 44.93 C ATOM 914 CZ TYR X 497 3.827 28.513 24.428 1.00 46.27 C ATOM 915 OH TYR X 497 3.490 27.521 25.318 1.00 50.39 O ATOM 916 N TRP X 498 1.835 31.603 20.770 1.00 34.65 N ATOM 917 CA TRP X 498 0.533 30.995 20.987 1.00 36.99 C ATOM 918 C TRP X 498 0.370 29.823 20.041 1.00 34.38 C ATOM 919 O TRP X 498 1.228 29.572 19.195 1.00 34.71 O ATOM 920 CB TRP X 498 -0.594 32.026 20.815 1.00 35.95 C ATOM 921 CG TRP X 498 -0.746 32.586 19.429 1.00 33.95 C ATOM 922 CD1 TRP X 498 -1.435 32.032 18.391 1.00 34.29 C ATOM 923 CD2 TRP X 498 -0.220 33.824 18.946 1.00 32.55 C ATOM 924 NE1 TRP X 498 -1.369 32.851 17.288 1.00 31.67 N ATOM 925 CE2 TRP X 498 -0.621 33.954 17.603 1.00 32.46 C ATOM 926 CE3 TRP X 498 0.561 34.834 19.517 1.00 36.06 C ATOM 927 CZ2 TRP X 498 -0.262 35.054 16.818 1.00 31.80 C ATOM 928 CZ3 TRP X 498 0.911 35.927 18.739 1.00 32.58 C ATOM 929 CH2 TRP X 498 0.500 36.026 17.406 1.00 30.31 C ATOM 930 N GLU X 499 -0.718 29.090 20.193 1.00 36.26 N ATOM 931 CA GLU X 499 -0.981 27.973 19.304 1.00 39.17 C ATOM 932 C GLU X 499 -2.178 28.311 18.443 1.00 35.23 C ATOM 933 O GLU X 499 -3.073 29.036 18.866 1.00 35.34 O ATOM 934 CB GLU X 499 -1.264 26.692 20.088 1.00 40.87 C ATOM 935 CG GLU X 499 -0.133 26.221 20.979 1.00 46.43 C ATOM 936 CD GLU X 499 -0.585 25.111 21.933 1.00 57.07 C ATOM 937 OE1 GLU X 499 0.206 24.717 22.819 1.00 60.07 O ATOM 938 OE2 GLU X 499 -1.740 24.643 21.801 1.00 55.36 O ATOM 939 N GLU X 500 -2.181 27.777 17.232 1.00 35.22 N ATOM 940 CA GLU X 500 -3.272 27.983 16.305 1.00 38.55 C ATOM 941 C GLU X 500 -3.650 26.633 15.750 1.00 37.71 C ATOM 942 O GLU X 500 -2.792 25.789 15.506 1.00 40.87 O ATOM 943 CB GLU X 500 -2.832 28.874 15.139 1.00 35.41 C ATOM 944 CG GLU X 500 -2.338 30.226 15.538 1.00 35.81 C ATOM 945 CD GLU X 500 -2.260 31.176 14.366 1.00 34.61 C ATOM 946 OE1 GLU X 500 -2.344 30.721 13.202 1.00 31.84 O ATOM 947 OE2 GLU X 500 -2.105 32.384 14.617 1.00 35.10 O ATOM 948 N THR X 501 -4.938 26.443 15.532 1.00 39.15 N ATOM 949 CA THR X 501 -5.419 25.232 14.912 1.00 43.73 C ATOM 950 C THR X 501 -5.613 25.527 13.442 1.00 46.41 C ATOM 951 O THR X 501 -6.577 26.189 13.057 1.00 44.65 O ATOM 952 CB THR X 501 -6.746 24.778 15.535 1.00 44.70 C ATOM 953 OG1 THR X 501 -6.546 24.502 16.928 1.00 46.00 O ATOM 954 CG2 THR X 501 -7.274 23.538 14.830 1.00 49.08 C ATOM 955 N GLY X 502 -4.674 25.047 12.631 1.00 50.32 N ATOM 956 CA GLY X 502 -4.730 25.217 11.192 1.00 53.35 C ATOM 957 C GLY X 502 -5.945 24.590 10.523 1.00 61.18 C ATOM 958 O GLY X 502 -6.757 23.892 11.148 1.00 57.12 O ATOM 959 N SER X 503 -6.058 24.853 9.227 1.00 64.20 N ATOM 960 CA SER X 503 -7.176 24.400 8.410 1.00 67.71 C ATOM 961 C SER X 503 -7.178 22.891 8.231 1.00 69.88 C ATOM 962 O SER X 503 -7.843 22.367 7.339 1.00 75.20 O ATOM 963 CB SER X 503 -7.092 25.064 7.034 1.00 72.63 C ATOM 964 OG SER X 503 -5.737 25.250 6.644 1.00 69.82 O ATOM 965 N HIS X 504 -6.430 22.203 9.086 1.00 66.59 N ATOM 966 CA HIS X 504 -6.201 20.774 8.953 1.00 61.50 C ATOM 967 C HIS X 504 -6.369 20.094 10.306 1.00 64.09 C ATOM 968 O HIS X 504 -6.173 18.880 10.438 1.00 70.17 O ATOM 969 CB HIS X 504 -4.786 20.550 8.447 1.00 64.18 C ATOM 970 CG HIS X 504 -3.779 21.455 9.087 1.00 63.97 C ATOM 971 ND1 HIS X 504 -2.913 22.244 8.359 1.00 71.57 N ATOM 972 CD2 HIS X 504 -3.520 21.717 10.389 1.00 59.59 C ATOM 973 CE1 HIS X 504 -2.149 22.936 9.188 1.00 68.98 C ATOM 974 NE2 HIS X 504 -2.495 22.632 10.426 1.00 60.68 N ATOM 975 N GLY X 505 -6.727 20.885 11.312 1.00 55.60 N ATOM 976 CA GLY X 505 -6.921 20.378 12.656 1.00 50.57 C ATOM 977 C GLY X 505 -5.638 20.251 13.454 1.00 53.67 C ATOM 978 O GLY X 505 -5.671 19.872 14.626 1.00 56.83 O ATOM 979 N LYS X 506 -4.509 20.572 12.826 1.00 47.97 N ATOM 980 CA LYS X 506 -3.204 20.398 13.457 1.00 46.07 C ATOM 981 C LYS X 506 -2.649 21.691 14.049 1.00 47.33 C ATOM 982 O LYS X 506 -2.902 22.790 13.553 1.00 47.40 O ATOM 983 CB LYS X 506 -2.189 19.825 12.463 1.00 51.49 C ATOM 984 CG LYS X 506 -2.618 18.539 11.787 1.00 56.43 C ATOM 985 CD LYS X 506 -2.927 17.461 12.806 1.00 56.11 C ATOM 986 CE LYS X 506 -3.202 16.129 12.125 1.00 57.54 C ATOM 987 NZ LYS X 506 -3.901 15.210 13.059 1.00 52.75 N ATOM 988 N LEU X 507 -1.852 21.532 15.093 1.00 44.24 N ATOM 989 CA LEU X 507 -1.298 22.644 15.842 1.00 42.49 C ATOM 990 C LEU X 507 -0.151 23.330 15.117 1.00 42.82 C ATOM 991 O LEU X 507 0.715 22.676 14.538 1.00 43.36 O ATOM 992 CB LEU X 507 -0.791 22.145 17.184 1.00 40.27 C ATOM 993 CG LEU X 507 -0.797 23.198 18.280 1.00 49.75 C ATOM 994 CD1 LEU X 507 -2.248 23.483 18.685 1.00 52.71 C ATOM 995 CD2 LEU X 507 0.018 22.721 19.463 1.00 52.38 C ATOM 996 N VAL X 508 -0.143 24.656 15.181 1.00 40.65 N ATOM 997 CA VAL X 508 0.935 25.468 14.628 1.00 38.24 C ATOM 998 C VAL X 508 1.302 26.503 15.688 1.00 37.76 C ATOM 999 O VAL X 508 0.416 27.062 16.336 1.00 37.24 O ATOM 1000 CB VAL X 508 0.472 26.161 13.330 1.00 38.94 C ATOM 1001 CG1 VAL X 508 1.590 26.990 12.704 1.00 34.69 C ATOM 1002 CG2 VAL X 508 -0.043 25.120 12.336 1.00 38.65 C ATOM 1003 N PHE X 509 2.596 26.728 15.899 1.00 33.40 N ATOM 1004 CA PHE X 509 3.036 27.764 16.835 1.00 33.98 C ATOM 1005 C PHE X 509 3.250 29.092 16.119 1.00 37.85 C ATOM 1006 O PHE X 509 3.635 29.120 14.942 1.00 33.51 O ATOM 1007 CB PHE X 509 4.329 27.369 17.568 1.00 36.67 C ATOM 1008 CG PHE X 509 4.201 26.111 18.381 1.00 38.34 C ATOM 1009 CD1 PHE X 509 3.458 26.099 19.545 1.00 39.10 C ATOM 1010 CD2 PHE X 509 4.796 24.936 17.962 1.00 42.64 C ATOM 1011 CE1 PHE X 509 3.323 24.940 20.285 1.00 46.69 C ATOM 1012 CE2 PHE X 509 4.666 23.764 18.699 1.00 45.07 C ATOM 1013 CZ PHE X 509 3.924 23.769 19.861 1.00 45.33 C ATOM 1014 N LYS X 510 3.005 30.180 16.845 1.00 29.89 N ATOM 1015 CA LYS X 510 3.288 31.519 16.357 1.00 31.46 C ATOM 1016 C LYS X 510 4.058 32.262 17.424 1.00 30.14 C ATOM 1017 O LYS X 510 3.648 32.299 18.581 1.00 30.54 O ATOM 1018 CB LYS X 510 1.997 32.264 16.056 1.00 31.51 C ATOM 1019 CG LYS X 510 1.196 31.663 14.925 1.00 29.49 C ATOM 1020 CD LYS X 510 1.934 31.823 13.595 1.00 28.06 C ATOM 1021 CE LYS X 510 1.227 31.048 12.499 1.00 28.72 C ATOM 1022 NZ LYS X 510 1.607 31.513 11.153 1.00 30.18 N ATOM 1023 N PHE X 511 5.180 32.851 17.029 1.00 26.58 N ATOM 1024 CA PHE X 511 5.971 33.649 17.939 1.00 30.42 C ATOM 1025 C PHE X 511 5.934 35.122 17.543 1.00 30.80 C ATOM 1026 O PHE X 511 6.211 35.472 16.399 1.00 31.35 O ATOM 1027 CB PHE X 511 7.403 33.130 17.948 1.00 31.09 C ATOM 1028 CG PHE X 511 7.512 31.681 18.347 1.00 33.64 C ATOM 1029 CD1 PHE X 511 7.712 31.326 19.669 1.00 33.96 C ATOM 1030 CD2 PHE X 511 7.400 30.676 17.399 1.00 33.32 C ATOM 1031 CE1 PHE X 511 7.816 29.990 20.042 1.00 33.85 C ATOM 1032 CE2 PHE X 511 7.501 29.351 17.763 1.00 33.48 C ATOM 1033 CZ PHE X 511 7.709 29.008 19.089 1.00 33.51 C ATOM 1034 N LYS X 512 5.583 35.982 18.491 1.00 33.03 N ATOM 1035 CA LYS X 512 5.612 37.423 18.257 1.00 33.03 C ATOM 1036 C LYS X 512 6.949 38.023 18.676 1.00 34.40 C ATOM 1037 O LYS X 512 7.347 37.930 19.839 1.00 33.44 O ATOM 1038 CB LYS X 512 4.470 38.094 19.009 1.00 33.40 C ATOM 1039 CG LYS X 512 4.467 39.605 18.927 1.00 34.99 C ATOM 1040 CD LYS X 512 3.221 40.132 19.592 1.00 35.65 C ATOM 1041 CE LYS X 512 3.505 41.362 20.415 1.00 40.75 C ATOM 1042 NZ LYS X 512 2.408 41.538 21.406 1.00 44.28 N ATOM 1043 N LEU X 513 7.656 38.614 17.719 1.00 30.00 N ATOM 1044 CA LEU X 513 8.954 39.199 18.002 1.00 33.06 C ATOM 1045 C LEU X 513 8.885 40.703 17.773 1.00 36.89 C ATOM 1046 O LEU X 513 8.190 41.163 16.859 1.00 33.31 O ATOM 1047 CB LEU X 513 10.055 38.581 17.136 1.00 30.86 C ATOM 1048 CG LEU X 513 10.581 37.184 17.499 1.00 33.22 C ATOM 1049 CD1 LEU X 513 9.715 36.118 16.880 1.00 27.18 C ATOM 1050 CD2 LEU X 513 12.013 37.030 17.006 1.00 33.21 C ATOM 1051 N ARG X 514 9.596 41.461 18.610 1.00 32.14 N ATOM 1052 CA ARG X 514 9.615 42.920 18.485 1.00 32.69 C ATOM 1053 C ARG X 514 11.047 43.432 18.390 1.00 31.74 C ATOM 1054 O ARG X 514 11.892 43.098 19.216 1.00 34.39 O ATOM 1055 CB ARG X 514 8.869 43.596 19.651 1.00 33.14 C ATOM 1056 CG ARG X 514 8.663 45.117 19.441 1.00 36.62 C ATOM 1057 CD ARG X 514 7.995 45.820 20.634 1.00 31.69 C ATOM 1058 NE ARG X 514 6.601 45.427 20.838 1.00 31.85 N ATOM 1059 CZ ARG X 514 5.554 46.002 20.254 1.00 28.06 C ATOM 1060 NH1 ARG X 514 5.719 47.001 19.396 1.00 27.35 N ATOM 1061 NH2 ARG X 514 4.337 45.569 20.529 1.00 34.87 N ATOM 1062 N ARG X 515 11.328 44.228 17.365 1.00 29.34 N ATOM 1063 CA ARG X 515 12.668 44.746 17.154 1.00 30.74 C ATOM 1064 C ARG X 515 13.046 45.693 18.287 1.00 35.26 C ATOM 1065 O ARG X 515 12.232 46.498 18.723 1.00 36.42 O ATOM 1066 CB ARG X 515 12.730 45.481 15.827 1.00 33.13 C ATOM 1067 CG ARG X 515 14.120 45.648 15.240 1.00 33.86 C ATOM 1068 CD ARG X 515 14.016 46.362 13.924 1.00 30.67 C ATOM 1069 NE ARG X 515 15.201 46.227 13.090 1.00 36.52 N ATOM 1070 CZ ARG X 515 15.935 47.255 12.679 1.00 42.24 C ATOM 1071 NH1 ARG X 515 15.601 48.488 13.036 1.00 43.72 N ATOM 1072 NH2 ARG X 515 16.994 47.056 11.907 1.00 36.51 N ATOM 1073 N ILE X 516 14.279 45.584 18.769 1.00 40.06 N ATOM 1074 CA ILE X 516 14.775 46.455 19.836 1.00 38.09 C ATOM 1075 C ILE X 516 14.984 47.868 19.284 1.00 35.13 C ATOM 1076 O ILE X 516 15.621 48.044 18.244 1.00 35.86 O ATOM 1077 CB ILE X 516 16.092 45.894 20.437 1.00 40.42 C ATOM 1078 CG1 ILE X 516 15.849 44.515 21.051 1.00 35.15 C ATOM 1079 CG2 ILE X 516 16.673 46.835 21.484 1.00 42.76 C ATOM 1080 CD1 ILE X 516 17.078 43.892 21.635 1.00 37.73 C ATOM 1081 N PRO X 517 14.426 48.880 19.963 1.00 39.01 N ATOM 1082 CA PRO X 517 14.579 50.264 19.487 1.00 40.72 C ATOM 1083 C PRO X 517 16.046 50.665 19.361 1.00 40.29 C ATOM 1084 O PRO X 517 16.909 50.084 20.022 1.00 44.97 O ATOM 1085 CB PRO X 517 13.906 51.090 20.589 1.00 43.71 C ATOM 1086 CG PRO X 517 12.958 50.143 21.254 1.00 40.81 C ATOM 1087 CD PRO X 517 13.612 48.797 21.190 1.00 41.55 C ATOM 1088 N GLY X 518 16.333 51.638 18.508 1.00 43.40 N ATOM 1089 CA GLY X 518 17.671 52.196 18.447 1.00 45.01 C ATOM 1090 C GLY X 518 18.560 51.616 17.367 1.00 46.77 C ATOM 1091 O GLY X 518 19.746 51.921 17.303 1.00 49.57 O ATOM 1092 N GLN X 519 17.994 50.780 16.508 1.00 46.56 N ATOM 1093 CA GLN X 519 18.780 50.162 15.455 1.00 47.79 C ATOM 1094 C GLN X 519 18.490 50.858 14.150 1.00 46.05 C ATOM 1095 O GLN X 519 17.401 51.401 13.972 1.00 49.95 O ATOM 1096 CB GLN X 519 18.455 48.672 15.352 1.00 44.59 C ATOM 1097 CG GLN X 519 18.599 47.942 16.671 1.00 43.09 C ATOM 1098 CD GLN X 519 18.368 46.447 16.534 1.00 41.99 C ATOM 1099 OE1 GLN X 519 19.223 45.719 16.034 1.00 37.80 O ATOM 1100 NE2 GLN X 519 17.211 45.984 16.988 1.00 40.05 N ATOM 1101 N PRO X 520 19.465 50.850 13.233 1.00 44.47 N ATOM 1102 CA PRO X 520 19.278 51.472 11.919 1.00 51.26 C ATOM 1103 C PRO X 520 18.029 50.903 11.259 1.00 50.69 C ATOM 1104 O PRO X 520 17.692 49.749 11.499 1.00 45.71 O ATOM 1105 CB PRO X 520 20.535 51.051 11.148 1.00 43.98 C ATOM 1106 CG PRO X 520 21.550 50.783 12.198 1.00 45.22 C ATOM 1107 CD PRO X 520 20.797 50.242 13.382 1.00 45.71 C ATOM 1108 N GLU X 521 17.341 51.709 10.461 1.00 54.02 N ATOM 1109 CA GLU X 521 16.119 51.256 9.816 1.00 57.08 C ATOM 1110 C GLU X 521 16.448 50.580 8.494 1.00 67.07 C ATOM 1111 O GLU X 521 17.489 50.852 7.891 1.00 72.30 O ATOM 1112 CB GLU X 521 15.168 52.433 9.590 1.00 65.91 C ATOM 1113 CG GLU X 521 15.797 53.610 8.851 1.00 73.79 C ATOM 1114 CD GLU X 521 14.922 54.857 8.874 1.00 82.67 C ATOM 1115 OE1 GLU X 521 13.685 54.721 8.995 1.00 85.65 O ATOM 1116 OE2 GLU X 521 15.473 55.975 8.771 1.00 83.40 O ATOM 1117 N LEU X 522 15.568 49.692 8.045 1.00 67.19 N ATOM 1118 CA LEU X 522 15.734 49.064 6.740 1.00 67.39 C ATOM 1119 C LEU X 522 14.624 49.476 5.781 1.00 69.33 C ATOM 1120 O LEU X 522 13.464 49.568 6.178 1.00 73.39 O ATOM 1121 CB LEU X 522 15.810 47.543 6.875 1.00 62.94 C ATOM 1122 CG LEU X 522 17.231 47.010 7.062 1.00 60.54 C ATOM 1123 CD1 LEU X 522 17.243 45.808 7.969 1.00 54.02 C ATOM 1124 CD2 LEU X 522 17.878 46.684 5.721 1.00 56.96 C ATOM 1125 N PRO X 523 14.988 49.747 4.517 1.00 73.73 N ATOM 1126 CA PRO X 523 14.067 50.176 3.455 1.00 76.45 C ATOM 1127 C PRO X 523 13.309 49.011 2.829 1.00 76.82 C ATOM 1128 O PRO X 523 13.907 47.974 2.546 1.00 80.65 O ATOM 1129 CB PRO X 523 15.004 50.792 2.401 1.00 79.82 C ATOM 1130 CG PRO X 523 16.369 50.879 3.054 1.00 74.84 C ATOM 1131 CD PRO X 523 16.389 49.787 4.070 1.00 74.03 C ATOM 1132 N TRP X 524 12.009 49.185 2.612 1.00 81.18 N ATOM 1133 CA TRP X 524 11.200 48.168 1.945 1.00 86.45 C ATOM 1134 C TRP X 524 9.851 48.735 1.507 1.00 87.86 C ATOM 1135 O TRP X 524 9.713 49.942 1.292 1.00 87.46 O ATOM 1136 CB TRP X 524 11.008 46.951 2.849 1.00 80.39 C TER 1137 TRP X 524 ATOM 1138 O5' DA A 1 20.319 4.398 10.705 1.00 61.47 O ATOM 1139 C5' DA A 1 20.515 5.624 11.408 1.00 52.78 C ATOM 1140 C4' DA A 1 19.200 6.128 11.974 1.00 55.95 C ATOM 1141 O4' DA A 1 19.442 7.308 12.782 1.00 57.14 O ATOM 1142 C3' DA A 1 18.208 6.592 10.921 1.00 60.84 C ATOM 1143 O3' DA A 1 16.876 6.633 11.456 1.00 65.46 O ATOM 1144 C2' DA A 1 18.747 7.989 10.618 1.00 54.48 C ATOM 1145 C1' DA A 1 19.224 8.470 11.994 1.00 53.62 C ATOM 1146 N9 DA A 1 20.446 9.282 11.921 1.00 46.96 N ATOM 1147 C8 DA A 1 21.579 9.006 11.204 1.00 46.23 C ATOM 1148 N7 DA A 1 22.519 9.922 11.322 1.00 46.88 N ATOM 1149 C5 DA A 1 21.961 10.865 12.176 1.00 41.06 C ATOM 1150 C6 DA A 1 22.445 12.081 12.691 1.00 40.34 C ATOM 1151 N6 DA A 1 23.658 12.573 12.414 1.00 42.09 N ATOM 1152 N1 DA A 1 21.637 12.775 13.512 1.00 41.51 N ATOM 1153 C2 DA A 1 20.428 12.281 13.793 1.00 39.74 C ATOM 1154 N3 DA A 1 19.862 11.159 13.366 1.00 44.76 N ATOM 1155 C4 DA A 1 20.687 10.490 12.548 1.00 41.47 C ATOM 1156 P DC A 2 15.674 7.068 10.490 1.00 70.70 P ATOM 1157 OP1 DC A 2 14.382 6.572 11.028 1.00 62.06 O ATOM 1158 OP2 DC A 2 16.114 6.754 9.111 1.00 51.50 O ATOM 1159 O5' DC A 2 15.649 8.652 10.678 1.00 63.47 O ATOM 1160 C5' DC A 2 15.303 9.174 11.953 1.00 64.77 C ATOM 1161 C4' DC A 2 15.398 10.676 11.860 1.00 62.22 C ATOM 1162 O4' DC A 2 16.790 11.093 11.811 1.00 57.97 O ATOM 1163 C3' DC A 2 14.740 11.195 10.585 1.00 59.21 C ATOM 1164 O3' DC A 2 13.760 12.133 10.979 1.00 63.73 O ATOM 1165 C2' DC A 2 15.892 11.808 9.788 1.00 55.84 C ATOM 1166 C1' DC A 2 16.869 12.174 10.905 1.00 53.10 C ATOM 1167 N1 DC A 2 18.276 12.397 10.437 1.00 43.53 N ATOM 1168 C2 DC A 2 18.966 13.510 10.921 1.00 43.52 C ATOM 1169 O2 DC A 2 18.403 14.259 11.735 1.00 45.61 O ATOM 1170 N3 DC A 2 20.235 13.730 10.497 1.00 40.55 N ATOM 1171 C4 DC A 2 20.795 12.896 9.625 1.00 40.96 C ATOM 1172 N4 DC A 2 22.041 13.168 9.244 1.00 40.43 N ATOM 1173 C5 DC A 2 20.101 11.759 9.108 1.00 41.98 C ATOM 1174 C6 DC A 2 18.854 11.555 9.537 1.00 40.35 C ATOM 1175 P DT A 3 12.749 12.794 9.929 1.00 73.18 P ATOM 1176 OP1 DT A 3 11.379 12.445 10.374 1.00 73.00 O ATOM 1177 OP2 DT A 3 13.212 12.500 8.547 1.00 63.30 O ATOM 1178 O5' DT A 3 12.981 14.345 10.225 1.00 57.56 O ATOM 1179 C5' DT A 3 12.942 14.781 11.583 1.00 55.46 C ATOM 1180 C4' DT A 3 13.657 16.113 11.739 1.00 58.66 C ATOM 1181 O4' DT A 3 15.047 16.001 11.307 1.00 55.91 O ATOM 1182 C3' DT A 3 13.041 17.266 10.940 1.00 52.06 C ATOM 1183 O3' DT A 3 13.008 18.430 11.798 1.00 58.70 O ATOM 1184 C2' DT A 3 13.995 17.373 9.742 1.00 53.43 C ATOM 1185 C1' DT A 3 15.341 17.062 10.411 1.00 49.76 C ATOM 1186 N1 DT A 3 16.495 16.612 9.553 1.00 42.19 N ATOM 1187 C2 DT A 3 17.685 17.301 9.651 1.00 40.42 C ATOM 1188 O2 DT A 3 17.826 18.256 10.386 1.00 41.76 O ATOM 1189 N3 DT A 3 18.712 16.837 8.868 1.00 38.00 N ATOM 1190 C4 DT A 3 18.661 15.758 8.014 1.00 38.56 C ATOM 1191 O4 DT A 3 19.629 15.409 7.344 1.00 40.57 O ATOM 1192 C5 DT A 3 17.394 15.081 7.951 1.00 39.37 C ATOM 1193 C7 DT A 3 17.242 13.904 7.029 1.00 44.02 C ATOM 1194 C6 DT A 3 16.385 15.523 8.715 1.00 41.01 C ATOM 1195 P DA A 4 11.884 19.581 11.709 1.00 60.49 P ATOM 1196 OP1 DA A 4 11.466 20.005 13.067 1.00 48.09 O ATOM 1197 OP2 DA A 4 10.880 19.172 10.690 1.00 45.93 O ATOM 1198 O5' DA A 4 12.754 20.747 11.085 1.00 49.38 O ATOM 1199 C5' DA A 4 13.170 20.493 9.781 1.00 47.32 C ATOM 1200 C4' DA A 4 14.273 21.434 9.399 1.00 41.03 C ATOM 1201 O4' DA A 4 15.385 20.608 8.974 1.00 35.47 O ATOM 1202 C3' DA A 4 13.824 22.288 8.226 1.00 34.32 C ATOM 1203 O3' DA A 4 14.047 23.672 8.487 1.00 38.30 O ATOM 1204 C2' DA A 4 14.644 21.746 7.048 1.00 33.82 C ATOM 1205 C1' DA A 4 15.842 21.087 7.729 1.00 37.63 C ATOM 1206 N9 DA A 4 16.373 19.964 6.960 1.00 39.79 N ATOM 1207 C8 DA A 4 15.655 18.952 6.395 1.00 37.53 C ATOM 1208 N7 DA A 4 16.394 18.084 5.762 1.00 37.51 N ATOM 1209 C5 DA A 4 17.684 18.553 5.926 1.00 38.16 C ATOM 1210 C6 DA A 4 18.931 18.076 5.481 1.00 36.87 C ATOM 1211 N6 DA A 4 19.080 16.959 4.751 1.00 37.36 N ATOM 1212 N1 DA A 4 20.021 18.798 5.807 1.00 34.64 N ATOM 1213 C2 DA A 4 19.880 19.909 6.542 1.00 36.42 C ATOM 1214 N3 DA A 4 18.759 20.450 7.016 1.00 35.66 N ATOM 1215 C4 DA A 4 17.690 19.717 6.663 1.00 35.05 C HETATM 1216 N1 5CM A 5 11.544 29.232 7.279 1.00 31.51 N HETATM 1217 C2 5CM A 5 10.856 30.596 7.217 1.00 26.52 C HETATM 1218 N3 5CM A 5 9.852 31.001 8.313 1.00 32.92 N HETATM 1219 C4 5CM A 5 9.689 30.138 9.532 1.00 28.63 C HETATM 1220 C5 5CM A 5 10.521 28.816 9.678 1.00 32.32 C HETATM 1221 C5A 5CM A 5 10.426 27.940 10.928 1.00 27.28 C HETATM 1222 C6 5CM A 5 11.424 28.356 8.515 1.00 29.38 C HETATM 1223 O2 5CM A 5 10.887 31.283 6.017 1.00 34.05 O HETATM 1224 N4 5CM A 5 8.784 30.591 10.571 1.00 31.17 N HETATM 1225 C1' 5CM A 5 12.303 28.807 6.099 1.00 31.85 C HETATM 1226 C2' 5CM A 5 13.808 28.636 6.333 1.00 33.17 C HETATM 1227 C3' 5CM A 5 14.159 27.567 5.321 1.00 33.30 C HETATM 1228 C4' 5CM A 5 12.906 26.680 5.292 1.00 32.53 C HETATM 1229 O4' 5CM A 5 11.775 27.507 5.723 1.00 34.40 O HETATM 1230 O3' 5CM A 5 14.254 28.187 4.042 1.00 36.31 O HETATM 1231 C5' 5CM A 5 12.992 25.427 6.164 1.00 32.46 C HETATM 1232 O5' 5CM A 5 12.979 25.816 7.506 1.00 33.51 O HETATM 1233 P 5CM A 5 12.808 24.681 8.699 1.00 30.60 P HETATM 1234 OP1 5CM A 5 12.980 25.406 10.163 1.00 33.73 O HETATM 1235 OP2 5CM A 5 11.547 23.959 8.614 1.00 28.47 O ATOM 1236 P DG A 6 15.553 28.909 3.418 1.00 45.43 P ATOM 1237 OP1 DG A 6 15.990 30.067 4.230 1.00 36.99 O ATOM 1238 OP2 DG A 6 15.286 29.126 1.971 1.00 45.22 O ATOM 1239 O5' DG A 6 16.656 27.760 3.624 1.00 44.75 O ATOM 1240 C5' DG A 6 16.769 26.643 2.770 1.00 37.61 C ATOM 1241 C4' DG A 6 18.233 26.618 2.360 1.00 36.81 C ATOM 1242 O4' DG A 6 18.676 25.265 2.101 1.00 37.90 O ATOM 1243 C3' DG A 6 18.507 27.355 1.070 1.00 37.22 C ATOM 1244 O3' DG A 6 19.874 27.681 1.037 1.00 38.62 O ATOM 1245 C2' DG A 6 18.156 26.261 0.063 1.00 38.53 C ATOM 1246 C1' DG A 6 18.842 25.067 0.710 1.00 35.14 C ATOM 1247 N9 DG A 6 18.269 23.763 0.376 1.00 35.55 N ATOM 1248 C8 DG A 6 17.048 23.262 0.762 1.00 36.08 C ATOM 1249 N7 DG A 6 16.804 22.053 0.314 1.00 34.91 N ATOM 1250 C5 DG A 6 17.948 21.729 -0.409 1.00 36.27 C ATOM 1251 C6 DG A 6 18.284 20.550 -1.117 1.00 31.27 C ATOM 1252 O6 DG A 6 17.622 19.519 -1.270 1.00 35.58 O ATOM 1253 N1 DG A 6 19.534 20.641 -1.702 1.00 31.79 N ATOM 1254 C2 DG A 6 20.368 21.726 -1.620 1.00 36.32 C ATOM 1255 N2 DG A 6 21.547 21.629 -2.261 1.00 35.87 N ATOM 1256 N3 DG A 6 20.073 22.832 -0.949 1.00 35.27 N ATOM 1257 C4 DG A 6 18.856 22.765 -0.369 1.00 33.18 C ATOM 1258 P DT A 7 20.402 29.008 0.312 1.00 40.99 P ATOM 1259 OP1 DT A 7 21.557 29.503 1.082 1.00 47.68 O ATOM 1260 OP2 DT A 7 19.282 29.921 -0.021 1.00 40.90 O ATOM 1261 O5' DT A 7 20.974 28.403 -1.026 1.00 42.18 O ATOM 1262 C5' DT A 7 20.114 28.028 -2.035 1.00 41.89 C ATOM 1263 C4' DT A 7 20.976 27.384 -3.090 1.00 42.32 C ATOM 1264 O4' DT A 7 20.782 25.957 -3.036 1.00 35.51 O ATOM 1265 C3' DT A 7 20.566 27.857 -4.466 1.00 38.84 C ATOM 1266 O3' DT A 7 21.705 28.282 -5.144 1.00 47.73 O ATOM 1267 C2' DT A 7 19.957 26.656 -5.167 1.00 36.71 C ATOM 1268 C1' DT A 7 20.411 25.486 -4.311 1.00 36.81 C ATOM 1269 N1 DT A 7 19.316 24.514 -4.179 1.00 34.90 N ATOM 1270 C2 DT A 7 19.492 23.313 -4.808 1.00 32.02 C ATOM 1271 O2 DT A 7 20.506 23.062 -5.418 1.00 35.59 O ATOM 1272 N3 DT A 7 18.458 22.438 -4.687 1.00 31.63 N ATOM 1273 C4 DT A 7 17.292 22.667 -3.993 1.00 31.64 C ATOM 1274 O4 DT A 7 16.430 21.821 -3.937 1.00 33.21 O ATOM 1275 C5 DT A 7 17.160 23.955 -3.363 1.00 33.37 C ATOM 1276 C7 DT A 7 15.915 24.297 -2.600 1.00 34.98 C ATOM 1277 C6 DT A 7 18.172 24.822 -3.485 1.00 30.35 C ATOM 1278 P DA A 8 21.458 29.138 -6.462 1.00 47.40 P ATOM 1279 OP1 DA A 8 22.287 30.355 -6.350 1.00 48.02 O ATOM 1280 OP2 DA A 8 19.987 29.241 -6.658 1.00 41.32 O ATOM 1281 O5' DA A 8 22.034 28.181 -7.610 1.00 44.81 O ATOM 1282 C5' DA A 8 23.064 27.233 -7.361 1.00 41.56 C ATOM 1283 C4' DA A 8 23.196 26.331 -8.575 1.00 35.54 C ATOM 1284 O4' DA A 8 22.356 25.154 -8.449 1.00 35.59 O ATOM 1285 C3' DA A 8 22.780 27.010 -9.869 1.00 39.50 C ATOM 1286 O3' DA A 8 23.728 26.698 -10.873 1.00 41.20 O ATOM 1287 C2' DA A 8 21.400 26.430 -10.185 1.00 37.06 C ATOM 1288 C1' DA A 8 21.426 25.065 -9.512 1.00 35.90 C ATOM 1289 N9 DA A 8 20.173 24.690 -8.878 1.00 34.49 N ATOM 1290 C8 DA A 8 19.414 25.475 -8.056 1.00 35.43 C ATOM 1291 N7 DA A 8 18.343 24.884 -7.594 1.00 33.67 N ATOM 1292 C5 DA A 8 18.401 23.618 -8.159 1.00 34.92 C ATOM 1293 C6 DA A 8 17.550 22.502 -8.070 1.00 35.64 C ATOM 1294 N6 DA A 8 16.434 22.491 -7.338 1.00 39.63 N ATOM 1295 N1 DA A 8 17.893 21.388 -8.747 1.00 36.19 N ATOM 1296 C2 DA A 8 19.013 21.403 -9.479 1.00 36.86 C ATOM 1297 N3 DA A 8 19.891 22.392 -9.649 1.00 36.12 N ATOM 1298 C4 DA A 8 19.526 23.480 -8.949 1.00 35.41 C ATOM 1299 P DG A 9 23.527 27.274 -12.343 1.00 39.91 P ATOM 1300 OP1 DG A 9 24.860 27.514 -12.940 1.00 40.43 O ATOM 1301 OP2 DG A 9 22.514 28.343 -12.257 1.00 43.26 O ATOM 1302 O5' DG A 9 22.864 26.051 -13.117 1.00 41.99 O ATOM 1303 C5' DG A 9 23.565 24.830 -13.209 1.00 36.85 C ATOM 1304 C4' DG A 9 22.640 23.790 -13.801 1.00 41.14 C ATOM 1305 O4' DG A 9 21.557 23.457 -12.896 1.00 40.80 O ATOM 1306 C3' DG A 9 21.994 24.247 -15.099 1.00 45.72 C ATOM 1307 O3' DG A 9 22.351 23.303 -16.082 1.00 54.01 O ATOM 1308 C2' DG A 9 20.496 24.221 -14.825 1.00 47.02 C ATOM 1309 C1' DG A 9 20.374 23.269 -13.642 1.00 43.35 C ATOM 1310 N9 DG A 9 19.233 23.616 -12.809 1.00 39.88 N ATOM 1311 C8 DG A 9 18.980 24.850 -12.248 1.00 39.08 C ATOM 1312 N7 DG A 9 17.877 24.873 -11.547 1.00 39.29 N ATOM 1313 C5 DG A 9 17.370 23.581 -11.658 1.00 38.02 C ATOM 1314 C6 DG A 9 16.193 23.004 -11.121 1.00 38.49 C ATOM 1315 O6 DG A 9 15.326 23.530 -10.417 1.00 39.90 O ATOM 1316 N1 DG A 9 16.067 21.668 -11.469 1.00 37.25 N ATOM 1317 C2 DG A 9 16.948 20.973 -12.252 1.00 36.43 C ATOM 1318 N2 DG A 9 16.651 19.687 -12.491 1.00 40.30 N ATOM 1319 N3 DG A 9 18.042 21.500 -12.772 1.00 38.48 N ATOM 1320 C4 DG A 9 18.195 22.799 -12.430 1.00 37.26 C ATOM 1321 P DT A 10 22.065 23.599 -17.623 1.00 60.17 P ATOM 1322 OP1 DT A 10 23.199 22.989 -18.366 1.00 55.78 O ATOM 1323 OP2 DT A 10 21.730 25.039 -17.777 1.00 51.75 O ATOM 1324 O5' DT A 10 20.761 22.703 -17.880 1.00 55.75 O ATOM 1325 C5' DT A 10 20.887 21.299 -17.647 1.00 51.09 C ATOM 1326 C4' DT A 10 19.556 20.582 -17.743 1.00 54.09 C ATOM 1327 O4' DT A 10 18.694 20.961 -16.637 1.00 52.61 O ATOM 1328 C3' DT A 10 18.757 20.871 -19.011 1.00 57.25 C ATOM 1329 O3' DT A 10 18.143 19.651 -19.434 1.00 54.79 O ATOM 1330 C2' DT A 10 17.731 21.902 -18.543 1.00 49.98 C ATOM 1331 C1' DT A 10 17.431 21.325 -17.161 1.00 50.65 C ATOM 1332 N1 DT A 10 16.786 22.265 -16.214 1.00 43.15 N ATOM 1333 C2 DT A 10 15.749 21.799 -15.444 1.00 39.90 C ATOM 1334 O2 DT A 10 15.336 20.657 -15.488 1.00 46.08 O ATOM 1335 N3 DT A 10 15.204 22.720 -14.602 1.00 38.02 N ATOM 1336 C4 DT A 10 15.581 24.035 -14.468 1.00 38.39 C ATOM 1337 O4 DT A 10 15.018 24.777 -13.676 1.00 41.25 O ATOM 1338 C5 DT A 10 16.669 24.473 -15.306 1.00 39.85 C ATOM 1339 C7 DT A 10 17.147 25.896 -15.222 1.00 39.97 C ATOM 1340 C6 DT A 10 17.219 23.577 -16.134 1.00 41.53 C TER 1341 DT A 10 HETATM 1342 O HOH X 2 22.528 29.495 7.633 1.00 37.81 O HETATM 1343 O HOH X 3 -1.762 34.400 13.156 1.00 33.81 O HETATM 1344 O HOH X 4 3.923 41.644 11.366 1.00 38.19 O HETATM 1345 O HOH X 6 6.273 50.397 18.789 1.00 40.73 O HETATM 1346 O HOH X 7 25.679 41.566 14.155 1.00 44.96 O HETATM 1347 O HOH X 8 23.285 43.891 15.497 1.00 43.97 O HETATM 1348 O HOH X 10 10.100 48.440 19.043 1.00 37.97 O HETATM 1349 O HOH X 12 15.734 23.436 15.211 1.00 43.41 O HETATM 1350 O HOH X 14 -9.237 26.159 12.880 1.00 48.60 O HETATM 1351 O HOH X 15 0.018 42.531 10.759 1.00 43.76 O HETATM 1352 O HOH X 17 31.844 45.284 8.608 1.00 55.91 O HETATM 1353 O HOH X 18 2.223 47.193 22.582 1.00 39.25 O HETATM 1354 O HOH X 20 1.068 27.578 8.249 1.00 52.94 O HETATM 1355 O HOH X 21 13.606 37.273 23.504 1.00 41.01 O HETATM 1356 O HOH X 22 24.939 39.928 -1.803 1.00 56.72 O HETATM 1357 O HOH X 23 13.907 52.658 16.977 1.00 49.50 O HETATM 1358 O HOH X 24 14.640 23.430 3.623 1.00 31.75 O HETATM 1359 O HOH X 25 -0.305 15.076 14.599 1.00 54.98 O HETATM 1360 O HOH X 26 20.761 24.822 16.732 1.00 45.21 O HETATM 1361 O HOH X 27 3.614 43.483 22.332 1.00 45.54 O HETATM 1362 O HOH X 28 2.104 22.264 23.271 1.00 57.50 O HETATM 1363 O HOH X 29 21.220 36.299 19.623 1.00 37.92 O HETATM 1364 O HOH X 30 7.552 43.307 10.493 1.00 46.17 O HETATM 1365 O HOH X 34 13.359 46.217 9.859 1.00 51.38 O HETATM 1366 O HOH X 35 21.809 45.887 16.270 1.00 47.31 O HETATM 1367 O HOH X 36 24.375 42.389 21.449 1.00 43.46 O HETATM 1368 O HOH X 38 11.246 42.934 8.682 1.00 63.00 O HETATM 1369 O HOH X 40 -4.519 26.650 8.257 1.00 70.45 O HETATM 1370 O HOH X 41 26.270 49.765 7.890 1.00 59.99 O HETATM 1371 O HOH X 42 9.210 25.191 3.656 1.00 52.39 O HETATM 1372 O HOH X 43 9.443 41.791 26.136 1.00 54.61 O HETATM 1373 O HOH X 44 7.688 20.797 15.063 1.00 41.18 O HETATM 1374 O HOH X 45 11.400 23.009 16.627 1.00 38.12 O HETATM 1375 O HOH X 46 3.544 33.668 25.646 1.00 44.06 O HETATM 1376 O HOH X 47 11.671 44.289 21.790 1.00 39.16 O HETATM 1377 O HOH X 48 10.980 37.228 3.197 1.00 49.84 O HETATM 1378 O HOH X 50 11.368 38.372 25.868 1.00 44.41 O HETATM 1379 O HOH X 52 4.831 38.111 5.110 1.00 50.97 O HETATM 1380 O HOH X 53 3.278 40.279 24.309 1.00 46.32 O HETATM 1381 O HOH X 54 22.703 31.686 15.722 1.00 36.79 O HETATM 1382 O HOH X 55 8.005 19.637 8.622 1.00 55.02 O HETATM 1383 O HOH X 58 0.046 34.525 8.183 1.00 42.76 O HETATM 1384 O HOH X 59 29.620 28.688 21.378 1.00 61.26 O HETATM 1385 O HOH X 62 7.733 23.054 0.815 1.00 54.83 O HETATM 1386 O HOH A 11 12.326 29.530 2.009 1.00 44.41 O HETATM 1387 O HOH A 12 12.221 17.701 6.828 1.00 44.20 O HETATM 1388 O HOH A 13 15.143 30.979 0.120 1.00 47.86 O HETATM 1389 O HOH A 14 22.444 21.585 -10.212 1.00 33.53 O HETATM 1390 O HOH A 15 18.602 16.767 -2.039 1.00 43.30 O HETATM 1391 O HOH A 16 14.844 18.712 -1.750 1.00 50.89 O HETATM 1392 O HOH A 19 17.119 27.364 -10.613 1.00 46.61 O HETATM 1393 O HOH A 31 11.208 12.549 12.884 1.00 68.48 O HETATM 1394 O HOH A 32 17.728 6.305 7.494 1.00 63.16 O HETATM 1395 O HOH A 33 15.051 25.256 -6.742 1.00 49.73 O HETATM 1396 O HOH A 37 14.977 26.220 -9.566 1.00 46.43 O HETATM 1397 O HOH A 39 19.325 22.604 8.747 1.00 29.23 O HETATM 1398 O HOH A 49 20.736 13.545 5.644 1.00 46.61 O HETATM 1399 O HOH A 51 16.818 20.417 -22.877 1.00 59.58 O HETATM 1400 O HOH A 56 19.484 18.543 -20.908 1.00 53.81 O HETATM 1401 O HOH A 57 10.226 20.679 15.251 1.00 40.00 O HETATM 1402 O HOH A 60 18.333 24.077 -21.666 1.00 58.68 O HETATM 1403 O HOH A 61 11.297 18.431 8.624 1.00 51.93 O HETATM 1404 O HOH A 63 15.306 33.699 -0.092 1.00 49.61 O CONECT 133 142 CONECT 142 133 143 CONECT 143 142 144 146 CONECT 144 143 145 150 CONECT 145 144 CONECT 146 143 147 CONECT 147 146 148 CONECT 148 147 149 CONECT 149 148 CONECT 150 144 CONECT 274 284 CONECT 284 274 285 CONECT 285 284 286 288 CONECT 286 285 287 292 CONECT 287 286 CONECT 288 285 289 CONECT 289 288 290 CONECT 290 289 291 CONECT 291 290 CONECT 292 286 CONECT 1203 1233 CONECT 1216 1217 1222 1225 CONECT 1217 1216 1218 1223 CONECT 1218 1217 1219 CONECT 1219 1218 1220 1224 CONECT 1220 1219 1221 1222 CONECT 1221 1220 CONECT 1222 1216 1220 CONECT 1223 1217 CONECT 1224 1219 CONECT 1225 1216 1226 1229 CONECT 1226 1225 1227 CONECT 1227 1226 1228 1230 CONECT 1228 1227 1229 1231 CONECT 1229 1225 1228 CONECT 1230 1227 1236 CONECT 1231 1228 1232 CONECT 1232 1231 1233 CONECT 1233 1203 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1233 CONECT 1236 1230 MASTER 340 0 3 2 10 0 0 6 1402 2 42 14 END
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Related entries of code: 3q0b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3q0d
RCSB PDB
PDBbind
167aa, >3Q0D_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3q0b
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH5 SRA Domain
Ligand Name
Self complementary fully methylated CG DNA
EC.Number
E.C.2.1.1.43
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=1.08uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Genes Dev. Vol. 25: pp. 137-152
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):
O82175
Entrez Gene ID
NCBI Entrez Gene ID:
818083
ASD
Information of known allosteric effects of PDB entries
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