Browse entries in the PDBbind-CN Database
HEADER TRANSCRIPTION 16-NOV-16 5MEY TITLE CRYSTAL STRUCTURE OF SMAD4-MH1 BOUND TO THE GGCGC SITE. COMPND MOL_ID: 1; COMPND 2 MOLECULE: MH1 DOMAIN OF HUMAN SMAD4; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MOTHERS AGAINST DPP HOMOLOG 4,DELETION TARGET IN PANCREATIC COMPND 5 CARCINOMA 4,SMAD FAMILY MEMBER 4,HSMAD4; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: DNA (5'- COMPND 9 D(P*AP*TP*GP*CP*GP*GP*GP*CP*GP*CP*GP*CP*CP*CP*GP*CP*AP*T)-3'); COMPND 10 CHAIN: D; COMPND 11 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: SMAD4, DPC4, MADH4; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 SYNTHETIC: YES; SOURCE 10 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 11 ORGANISM_TAXID: 9606 KEYWDS SMADS, TRANSCRIPTION FACTOR, DNA COMPLEX, TRANSCRIPTION EXPDTA X-RAY DIFFRACTION AUTHOR Z.KACZMARSKA,R.FREIER,J.A.MARQUEZ,M.J.MACIAS REVDAT 2 27-DEC-17 5MEY 1 JRNL REVDAT 1 15-NOV-17 5MEY 0 JRNL AUTH P.MARTIN-MALPARTIDA,M.BATET,Z.KACZMARSKA,R.FREIER,T.GOMES, JRNL AUTH 2 E.ARAGON,Y.ZOU,Q.WANG,Q.XI,L.RUIZ,A.VEA,J.A.MARQUEZ, JRNL AUTH 3 J.MASSAGUE,M.J.MACIAS JRNL TITL STRUCTURAL BASIS FOR GENOME WIDE RECOGNITION OF 5-BP GC JRNL TITL 2 MOTIFS BY SMAD TRANSCRIPTION FACTORS. JRNL REF NAT COMMUN V. 8 2070 2017 JRNL REFN ESSN 2041-1723 JRNL PMID 29234012 JRNL DOI 10.1038/S41467-017-02054-6 REMARK 2 REMARK 2 RESOLUTION. 2.05 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER 2.10.2 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN, REMARK 3 : WOMACK,MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.05 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.70 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 14709 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.223 REMARK 3 R VALUE (WORKING SET) : 0.222 REMARK 3 FREE R VALUE : 0.238 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.020 REMARK 3 FREE R VALUE TEST SET COUNT : 738 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.000 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 7 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 2.05 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 2.21 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.0 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 3008 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.2470 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2865 REMARK 3 BIN R VALUE (WORKING SET) : 0.2460 REMARK 3 BIN FREE R VALUE : 0.2700 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.75 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 143 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.000 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 979 REMARK 3 NUCLEIC ACID ATOMS : 369 REMARK 3 HETEROGEN ATOMS : 28 REMARK 3 SOLVENT ATOMS : 92 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 45.27 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 49.65 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -9.57880 REMARK 3 B22 (A**2) : 9.70010 REMARK 3 B33 (A**2) : -0.12130 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.340 REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : 0.196 REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : 0.158 REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : 0.183 REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : 0.152 REMARK 3 REMARK 3 REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797 REMARK 3 CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.937 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.945 REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : 1429 ; 2.000 ; HARMONIC REMARK 3 BOND ANGLES : 2001 ; 2.000 ; HARMONIC REMARK 3 TORSION ANGLES : 447 ; 2.000 ; SINUSOIDAL REMARK 3 TRIGONAL CARBON PLANES : 19 ; 2.000 ; HARMONIC REMARK 3 GENERAL PLANES : 166 ; 5.000 ; HARMONIC REMARK 3 ISOTROPIC THERMAL FACTORS : 1429 ; 20.000 ; HARMONIC REMARK 3 BAD NON-BONDED CONTACTS : 4 ; 5.000 ; SEMIHARMONIC REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : 183 ; 5.000 ; SEMIHARMONIC REMARK 3 SUM OF OCCUPANCIES : NULL ; NULL ; NULL REMARK 3 UTILITY DISTANCES : NULL ; NULL ; NULL REMARK 3 UTILITY ANGLES : NULL ; NULL ; NULL REMARK 3 UTILITY TORSION : NULL ; NULL ; NULL REMARK 3 IDEAL-DIST CONTACT TERM : 1576 ; 4.000 ; SEMIHARMONIC REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.009 REMARK 3 BOND ANGLES (DEGREES) : 1.00 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 2.61 REMARK 3 OTHER TORSION ANGLES (DEGREES) : 20.31 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: { A|* } REMARK 3 ORIGIN FOR THE GROUP (A): -15.9256 -16.9063 3.2349 REMARK 3 T TENSOR REMARK 3 T11: 0.0000 T22: 0.0000 REMARK 3 T33: 0.0000 T12: 0.0000 REMARK 3 T13: 0.0000 T23: 0.0000 REMARK 3 L TENSOR REMARK 3 L11: 0.0000 L22: 0.0000 REMARK 3 L33: 0.0000 L12: 0.0000 REMARK 3 L13: 0.0000 L23: 0.0000 REMARK 3 S TENSOR REMARK 3 S11: 0.0000 S12: 0.0000 S13: 0.0000 REMARK 3 S21: 0.0000 S22: 0.0000 S23: 0.0000 REMARK 3 S31: 0.0000 S32: 0.0000 S33: 0.0000 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5MEY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 17-NOV-16. REMARK 100 THE DEPOSITION ID IS D_1200002372. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 23-SEP-16 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID23-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9763 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 2M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14710 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.050 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 6.200 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 17.7200 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.05 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.06 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 6.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 1.590 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: 3QSV REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.28 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 17% PEG 6000, 0.2 M NACL, 0.1 M SODIUM REMARK 280 ACETATE PH 5.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-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 45.05000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 45.05000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 32.08500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.50000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 32.08500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.50000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 45.05000 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 32.08500 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 39.50000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 45.05000 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 32.08500 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 39.50000 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 7350 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 18430 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -203.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 -79.00000 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 GLY A 6 REMARK 465 ALA A 7 REMARK 465 MET A 8 REMARK 465 GLY A 9 REMARK 465 PRO A 10 REMARK 465 THR A 11 REMARK 465 SER A 12 REMARK 465 ASN A 13 REMARK 465 ASP A 14 REMARK 465 PRO A 139 REMARK 465 GLY A 140 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 LEU A 17 CG CD1 CD2 REMARK 470 LYS A 48 CG CD CE NZ REMARK 470 GLU A 49 CG CD OE1 OE2 REMARK 470 LYS A 51 CG CD CE NZ REMARK 470 LYS A 113 CG CD CE NZ 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 DT D 18 O4' - C1' - N1 ANGL. DEV. = 1.9 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 ARG A 100 -55.73 -131.14 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 201 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 71 SG REMARK 620 2 CYS A 115 SG 114.1 REMARK 620 3 CYS A 127 SG 107.6 118.2 REMARK 620 4 HIS A 132 ND1 99.9 111.4 103.6 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA D 103 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DC D 14 O2 REMARK 620 2 DG D 15 O4' 112.0 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA D 105 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 DC D 16 O2 REMARK 620 2 DA D 17 O4' 101.6 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue ZN A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 203 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 204 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 205 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PEG A 206 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue PEG A 207 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO D 101 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA D 102 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA D 103 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA D 104 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA D 105 REMARK 800 REMARK 800 SITE_IDENTIFIER: AD4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA D 106 DBREF 5MEY A 10 140 UNP Q13485 SMAD4_HUMAN 10 140 DBREF 5MEY D 1 18 PDB 5MEY 5MEY 1 18 SEQADV 5MEY GLY A 6 UNP Q13485 EXPRESSION TAG SEQADV 5MEY ALA A 7 UNP Q13485 EXPRESSION TAG SEQADV 5MEY MET A 8 UNP Q13485 EXPRESSION TAG SEQADV 5MEY GLY A 9 UNP Q13485 EXPRESSION TAG SEQRES 1 A 135 GLY ALA MET GLY PRO THR SER ASN ASP ALA CYS LEU SER SEQRES 2 A 135 ILE VAL HIS SER LEU MET CYS HIS ARG GLN GLY GLY GLU SEQRES 3 A 135 SER GLU THR PHE ALA LYS ARG ALA ILE GLU SER LEU VAL SEQRES 4 A 135 LYS LYS LEU LYS GLU LYS LYS ASP GLU LEU ASP SER LEU SEQRES 5 A 135 ILE THR ALA ILE THR THR ASN GLY ALA HIS PRO SER LYS SEQRES 6 A 135 CYS VAL THR ILE GLN ARG THR LEU ASP GLY ARG LEU GLN SEQRES 7 A 135 VAL ALA GLY ARG LYS GLY PHE PRO HIS VAL ILE TYR ALA SEQRES 8 A 135 ARG LEU TRP ARG TRP PRO ASP LEU HIS LYS ASN GLU LEU SEQRES 9 A 135 LYS HIS VAL LYS TYR CYS GLN TYR ALA PHE ASP LEU LYS SEQRES 10 A 135 CYS ASP SER VAL CYS VAL ASN PRO TYR HIS TYR GLU ARG SEQRES 11 A 135 VAL VAL SER PRO GLY SEQRES 1 D 18 DA DT DG DC DG DG DG DC DG DC DG DC DC SEQRES 2 D 18 DC DG DC DA DT HET ZN A 201 1 HET CL A 202 1 HET CL A 203 1 HET CL A 204 1 HET CL A 205 1 HET PEG A 206 7 HET PEG A 207 7 HET EDO D 101 4 HET CA D 102 1 HET CA D 103 1 HET CA D 104 1 HET CA D 105 1 HET CA D 106 1 HETNAM ZN ZINC ION HETNAM CL CHLORIDE ION HETNAM PEG DI(HYDROXYETHYL)ETHER HETNAM EDO 1,2-ETHANEDIOL HETNAM CA CALCIUM ION HETSYN EDO ETHYLENE GLYCOL FORMUL 3 ZN ZN 2+ FORMUL 4 CL 4(CL 1-) FORMUL 8 PEG 2(C4 H10 O3) FORMUL 10 EDO C2 H6 O2 FORMUL 11 CA 5(CA 2+) FORMUL 16 HOH *92(H2 O) HELIX 1 AA1 ALA A 15 CYS A 25 1 11 HELIX 2 AA2 SER A 32 LYS A 48 1 17 HELIX 3 AA3 LYS A 50 THR A 63 1 14 HELIX 4 AA4 PHE A 90 ARG A 100 1 11 HELIX 5 AA5 ALA A 118 LYS A 122 5 5 HELIX 6 AA6 ASN A 129 TYR A 131 5 3 SHEET 1 AA1 2 THR A 73 GLN A 75 0 SHEET 2 AA1 2 SER A 125 CYS A 127 -1 O VAL A 126 N ILE A 74 SHEET 1 AA2 2 LEU A 82 VAL A 84 0 SHEET 2 AA2 2 ARG A 87 GLY A 89 -1 O GLY A 89 N LEU A 82 SHEET 1 AA3 2 LEU A 109 HIS A 111 0 SHEET 2 AA3 2 TYR A 133 ARG A 135 -1 O GLU A 134 N LYS A 110 LINK SG CYS A 71 ZN ZN A 201 1555 1555 2.51 LINK SG CYS A 115 ZN ZN A 201 1555 1555 2.10 LINK SG CYS A 127 ZN ZN A 201 1555 1555 2.46 LINK ND1 HIS A 132 ZN ZN A 201 1555 1555 2.13 LINK O2 DC D 14 CA CA D 103 1555 1555 2.35 LINK O4' DG D 15 CA CA D 103 1555 1555 3.15 LINK O4' DC D 16 CA CA D 104 1555 1555 3.07 LINK O2 DC D 16 CA CA D 105 1555 1555 2.56 LINK O4' DA D 17 CA CA D 105 1555 1555 3.10 SITE 1 AC1 4 CYS A 71 CYS A 115 CYS A 127 HIS A 132 SITE 1 AC2 4 ARG A 27 GLY A 29 GLY A 30 GLU A 31 SITE 1 AC3 2 ILE A 74 GLN A 75 SITE 1 AC4 3 PHE A 119 ASP A 120 TYR A 133 SITE 1 AC5 5 GLU A 31 SER A 32 ARG A 87 GLN A 116 SITE 2 AC5 5 TYR A 117 SITE 1 AC6 4 CYS A 71 TYR A 117 SER A 125 HOH A 312 SITE 1 AC7 3 ARG A 27 LYS A 122 HOH A 348 SITE 1 AC8 4 DG D 9 DC D 10 DG D 11 HOH D 217 SITE 1 AC9 2 DG D 6 DG D 7 SITE 1 AD1 3 DG D 5 DC D 14 DG D 15 SITE 1 AD2 2 DG D 15 DC D 16 SITE 1 AD3 3 DG D 3 DC D 16 DA D 17 SITE 1 AD4 2 DC D 16 DA D 17 CRYST1 64.170 79.000 90.100 90.00 90.00 90.00 C 2 2 21 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 0.015584 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012658 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011099 0.00000 ATOM 1 N ALA A 15 -18.887 -22.656 23.260 1.00 80.46 N ANISOU 1 N ALA A 15 10191 10191 10191 0 0 0 N ATOM 2 CA ALA A 15 -17.493 -22.680 22.818 1.00 80.32 C ANISOU 2 CA ALA A 15 10173 10173 10173 0 0 0 C ATOM 3 C ALA A 15 -17.390 -22.137 21.376 1.00 83.75 C ANISOU 3 C ALA A 15 10607 10607 10607 0 0 0 C ATOM 4 O ALA A 15 -17.440 -20.917 21.188 1.00 83.12 O ANISOU 4 O ALA A 15 10527 10527 10527 0 0 0 O ATOM 5 CB ALA A 15 -16.933 -24.099 22.923 1.00 81.05 C ANISOU 5 CB ALA A 15 10265 10265 10265 0 0 0 C ATOM 6 N CYS A 16 -17.274 -23.034 20.363 1.00 79.53 N ANISOU 6 N CYS A 16 10072 10072 10072 0 0 0 N ATOM 7 CA CYS A 16 -17.257 -22.660 18.947 1.00 78.59 C ANISOU 7 CA CYS A 16 9954 9954 9954 0 0 0 C ATOM 8 C CYS A 16 -18.696 -22.306 18.553 1.00 78.95 C ANISOU 8 C CYS A 16 9999 9999 9999 0 0 0 C ATOM 9 O CYS A 16 -18.902 -21.461 17.684 1.00 78.42 O ANISOU 9 O CYS A 16 9933 9933 9933 0 0 0 O ATOM 10 CB CYS A 16 -16.696 -23.788 18.086 1.00 79.38 C ANISOU 10 CB CYS A 16 10053 10053 10053 0 0 0 C ATOM 11 SG CYS A 16 -14.887 -23.915 18.117 1.00 83.62 S ANISOU 11 SG CYS A 16 10590 10590 10590 0 0 0 S ATOM 12 N LEU A 17 -19.682 -22.914 19.260 1.00 72.79 N ANISOU 12 N LEU A 17 9219 9219 9219 0 0 0 N ATOM 13 CA LEU A 17 -21.131 -22.720 19.131 1.00 71.15 C ANISOU 13 CA LEU A 17 9011 9011 9011 0 0 0 C ATOM 14 C LEU A 17 -21.559 -21.265 19.347 1.00 70.63 C ANISOU 14 C LEU A 17 8945 8945 8945 0 0 0 C ATOM 15 O LEU A 17 -22.483 -20.805 18.672 1.00 70.13 O ANISOU 15 O LEU A 17 8881 8881 8881 0 0 0 O ATOM 16 CB LEU A 17 -21.867 -23.630 20.123 1.00 71.28 C ANISOU 16 CB LEU A 17 9028 9028 9028 0 0 0 C ATOM 17 N SER A 18 -20.901 -20.547 20.288 1.00 63.51 N ANISOU 17 N SER A 18 8043 8043 8043 0 0 0 N ATOM 18 CA SER A 18 -21.202 -19.139 20.568 1.00 61.51 C ANISOU 18 CA SER A 18 7790 7790 7790 0 0 0 C ATOM 19 C SER A 18 -20.683 -18.253 19.444 1.00 59.97 C ANISOU 19 C SER A 18 7595 7595 7595 0 0 0 C ATOM 20 O SER A 18 -21.346 -17.283 19.082 1.00 58.55 O ANISOU 20 O SER A 18 7415 7415 7415 0 0 0 O ATOM 21 CB SER A 18 -20.631 -18.708 21.918 1.00 65.75 C ANISOU 21 CB SER A 18 8327 8327 8327 0 0 0 C ATOM 22 OG SER A 18 -19.221 -18.843 21.978 1.00 74.69 O ANISOU 22 OG SER A 18 9459 9459 9459 0 0 0 O ATOM 23 N ILE A 19 -19.509 -18.609 18.875 1.00 54.29 N ANISOU 23 N ILE A 19 6876 6876 6876 0 0 0 N ATOM 24 CA ILE A 19 -18.882 -17.919 17.736 1.00 53.19 C ANISOU 24 CA ILE A 19 6737 6737 6737 0 0 0 C ATOM 25 C ILE A 19 -19.768 -18.116 16.489 1.00 52.37 C ANISOU 25 C ILE A 19 6633 6633 6633 0 0 0 C ATOM 26 O ILE A 19 -20.068 -17.139 15.804 1.00 51.25 O ANISOU 26 O ILE A 19 6491 6491 6491 0 0 0 O ATOM 27 CB ILE A 19 -17.412 -18.402 17.519 1.00 56.70 C ANISOU 27 CB ILE A 19 7181 7181 7181 0 0 0 C ATOM 28 CG1 ILE A 19 -16.482 -17.884 18.640 1.00 57.10 C ANISOU 28 CG1 ILE A 19 7232 7232 7232 0 0 0 C ATOM 29 CG2 ILE A 19 -16.858 -18.026 16.125 1.00 56.98 C ANISOU 29 CG2 ILE A 19 7217 7217 7217 0 0 0 C ATOM 30 CD1 ILE A 19 -15.331 -18.833 18.996 1.00 60.72 C ANISOU 30 CD1 ILE A 19 7690 7690 7690 0 0 0 C ATOM 31 N VAL A 20 -20.210 -19.374 16.233 1.00 47.08 N ANISOU 31 N VAL A 20 5963 5963 5963 0 0 0 N ATOM 32 CA VAL A 20 -21.090 -19.745 15.113 1.00 46.35 C ANISOU 32 CA VAL A 20 5871 5871 5871 0 0 0 C ATOM 33 C VAL A 20 -22.393 -18.902 15.186 1.00 51.21 C ANISOU 33 C VAL A 20 6486 6486 6486 0 0 0 C ATOM 34 O VAL A 20 -22.760 -18.276 14.187 1.00 48.66 O ANISOU 34 O VAL A 20 6162 6162 6162 0 0 0 O ATOM 35 CB VAL A 20 -21.337 -21.290 14.998 1.00 48.71 C ANISOU 35 CB VAL A 20 6169 6169 6169 0 0 0 C ATOM 36 CG1 VAL A 20 -22.412 -21.627 13.964 1.00 47.97 C ANISOU 36 CG1 VAL A 20 6076 6076 6076 0 0 0 C ATOM 37 CG2 VAL A 20 -20.045 -22.047 14.669 1.00 48.04 C ANISOU 37 CG2 VAL A 20 6084 6084 6084 0 0 0 C ATOM 38 N HIS A 21 -23.021 -18.815 16.389 1.00 50.57 N ANISOU 38 N HIS A 21 6404 6404 6404 0 0 0 N ATOM 39 CA HIS A 21 -24.246 -18.033 16.588 1.00 51.61 C ANISOU 39 CA HIS A 21 6536 6536 6536 0 0 0 C ATOM 40 C HIS A 21 -24.065 -16.560 16.259 1.00 53.50 C ANISOU 40 C HIS A 21 6776 6776 6776 0 0 0 C ATOM 41 O HIS A 21 -24.937 -15.985 15.607 1.00 53.29 O ANISOU 41 O HIS A 21 6749 6749 6749 0 0 0 O ATOM 42 CB HIS A 21 -24.851 -18.216 17.990 1.00 53.98 C ANISOU 42 CB HIS A 21 6837 6837 6837 0 0 0 C ATOM 43 CG HIS A 21 -25.987 -17.269 18.255 1.00 58.75 C ANISOU 43 CG HIS A 21 7441 7441 7441 0 0 0 C ATOM 44 ND1 HIS A 21 -25.819 -16.145 19.052 1.00 61.25 N ANISOU 44 ND1 HIS A 21 7757 7757 7757 0 0 0 N ATOM 45 CD2 HIS A 21 -27.232 -17.241 17.722 1.00 61.32 C ANISOU 45 CD2 HIS A 21 7766 7766 7766 0 0 0 C ATOM 46 CE1 HIS A 21 -26.976 -15.500 19.015 1.00 60.90 C ANISOU 46 CE1 HIS A 21 7713 7713 7713 0 0 0 C ATOM 47 NE2 HIS A 21 -27.856 -16.119 18.226 1.00 61.29 N ANISOU 47 NE2 HIS A 21 7763 7763 7763 0 0 0 N ATOM 48 N SER A 22 -22.931 -15.961 16.677 1.00 48.79 N ANISOU 48 N SER A 22 6180 6180 6180 0 0 0 N ATOM 49 CA SER A 22 -22.628 -14.553 16.418 1.00 48.10 C ANISOU 49 CA SER A 22 6092 6092 6092 0 0 0 C ATOM 50 C SER A 22 -22.402 -14.274 14.939 1.00 48.69 C ANISOU 50 C SER A 22 6167 6167 6167 0 0 0 C ATOM 51 O SER A 22 -22.775 -13.205 14.460 1.00 47.59 O ANISOU 51 O SER A 22 6027 6027 6027 0 0 0 O ATOM 52 CB SER A 22 -21.428 -14.092 17.243 1.00 53.20 C ANISOU 52 CB SER A 22 6738 6738 6738 0 0 0 C ATOM 53 OG SER A 22 -20.208 -14.618 16.748 1.00 64.12 O ANISOU 53 OG SER A 22 8121 8121 8121 0 0 0 O ATOM 54 N LEU A 23 -21.788 -15.235 14.216 1.00 43.80 N ANISOU 54 N LEU A 23 5548 5548 5548 0 0 0 N ATOM 55 CA LEU A 23 -21.544 -15.123 12.767 1.00 42.06 C ANISOU 55 CA LEU A 23 5327 5327 5327 0 0 0 C ATOM 56 C LEU A 23 -22.838 -15.362 11.976 1.00 40.34 C ANISOU 56 C LEU A 23 5109 5109 5109 0 0 0 C ATOM 57 O LEU A 23 -23.037 -14.742 10.933 1.00 38.91 O ANISOU 57 O LEU A 23 4928 4928 4928 0 0 0 O ATOM 58 CB LEU A 23 -20.418 -16.073 12.304 1.00 42.26 C ANISOU 58 CB LEU A 23 5352 5352 5352 0 0 0 C ATOM 59 CG LEU A 23 -18.997 -15.784 12.858 1.00 46.87 C ANISOU 59 CG LEU A 23 5937 5937 5937 0 0 0 C ATOM 60 CD1 LEU A 23 -18.095 -16.981 12.710 1.00 46.56 C ANISOU 60 CD1 LEU A 23 5897 5897 5897 0 0 0 C ATOM 61 CD2 LEU A 23 -18.366 -14.598 12.188 1.00 48.87 C ANISOU 61 CD2 LEU A 23 6189 6189 6189 0 0 0 C ATOM 62 N MET A 24 -23.719 -16.244 12.500 1.00 36.06 N ANISOU 62 N MET A 24 4567 4567 4567 0 0 0 N ATOM 63 CA MET A 24 -25.038 -16.569 11.937 1.00 35.88 C ANISOU 63 CA MET A 24 4544 4544 4544 0 0 0 C ATOM 64 C MET A 24 -25.937 -15.330 11.863 1.00 43.89 C ANISOU 64 C MET A 24 5559 5559 5559 0 0 0 C ATOM 65 O MET A 24 -26.681 -15.158 10.887 1.00 43.15 O ANISOU 65 O MET A 24 5465 5465 5465 0 0 0 O ATOM 66 CB MET A 24 -25.726 -17.662 12.764 1.00 37.04 C ANISOU 66 CB MET A 24 4692 4692 4692 0 0 0 C ATOM 67 CG MET A 24 -25.281 -19.079 12.395 1.00 39.63 C ANISOU 67 CG MET A 24 5020 5020 5020 0 0 0 C ATOM 68 SD MET A 24 -25.825 -19.680 10.765 1.00 41.56 S ANISOU 68 SD MET A 24 5263 5263 5263 0 0 0 S ATOM 69 CE MET A 24 -27.461 -20.200 11.172 1.00 38.64 C ANISOU 69 CE MET A 24 4894 4894 4894 0 0 0 C ATOM 70 N CYS A 25 -25.829 -14.440 12.877 1.00 43.78 N ANISOU 70 N CYS A 25 5545 5545 5545 0 0 0 N ATOM 71 CA CYS A 25 -26.585 -13.185 12.962 1.00 44.58 C ANISOU 71 CA CYS A 25 5647 5647 5647 0 0 0 C ATOM 72 C CYS A 25 -26.310 -12.281 11.783 1.00 44.79 C ANISOU 72 C CYS A 25 5673 5673 5673 0 0 0 C ATOM 73 O CYS A 25 -27.112 -11.385 11.529 1.00 45.52 O ANISOU 73 O CYS A 25 5766 5766 5766 0 0 0 O ATOM 74 CB CYS A 25 -26.309 -12.466 14.284 1.00 46.14 C ANISOU 74 CB CYS A 25 5843 5843 5843 0 0 0 C ATOM 75 SG CYS A 25 -26.939 -13.330 15.741 1.00 51.13 S ANISOU 75 SG CYS A 25 6475 6475 6475 0 0 0 S ATOM 76 N HIS A 26 -25.173 -12.477 11.083 1.00 37.94 N ANISOU 76 N HIS A 26 4805 4805 4805 0 0 0 N ATOM 77 CA HIS A 26 -24.797 -11.627 9.952 1.00 36.55 C ANISOU 77 CA HIS A 26 4629 4629 4629 0 0 0 C ATOM 78 C HIS A 26 -25.040 -12.272 8.569 1.00 37.60 C ANISOU 78 C HIS A 26 4762 4762 4762 0 0 0 C ATOM 79 O HIS A 26 -24.713 -11.659 7.553 1.00 37.02 O ANISOU 79 O HIS A 26 4689 4689 4689 0 0 0 O ATOM 80 CB HIS A 26 -23.352 -11.138 10.106 1.00 37.73 C ANISOU 80 CB HIS A 26 4778 4778 4778 0 0 0 C ATOM 81 CG HIS A 26 -23.158 -10.256 11.305 1.00 41.30 C ANISOU 81 CG HIS A 26 5231 5231 5231 0 0 0 C ATOM 82 ND1 HIS A 26 -23.131 -8.881 11.185 1.00 43.11 N ANISOU 82 ND1 HIS A 26 5460 5460 5460 0 0 0 N ATOM 83 CD2 HIS A 26 -23.059 -10.584 12.615 1.00 43.19 C ANISOU 83 CD2 HIS A 26 5470 5470 5470 0 0 0 C ATOM 84 CE1 HIS A 26 -22.990 -8.419 12.417 1.00 42.81 C ANISOU 84 CE1 HIS A 26 5422 5422 5422 0 0 0 C ATOM 85 NE2 HIS A 26 -22.946 -9.410 13.309 1.00 43.33 N ANISOU 85 NE2 HIS A 26 5488 5488 5488 0 0 0 N ATOM 86 N ARG A 27 -25.674 -13.460 8.525 1.00 34.65 N ANISOU 86 N ARG A 27 4388 4388 4388 0 0 0 N ATOM 87 CA ARG A 27 -26.008 -14.126 7.260 1.00 34.61 C ANISOU 87 CA ARG A 27 4383 4383 4383 0 0 0 C ATOM 88 C ARG A 27 -27.049 -13.314 6.488 1.00 39.27 C ANISOU 88 C ARG A 27 4973 4973 4973 0 0 0 C ATOM 89 O ARG A 27 -27.873 -12.618 7.097 1.00 39.20 O ANISOU 89 O ARG A 27 4964 4964 4964 0 0 0 O ATOM 90 CB ARG A 27 -26.432 -15.599 7.458 1.00 32.49 C ANISOU 90 CB ARG A 27 4115 4115 4115 0 0 0 C ATOM 91 CG ARG A 27 -27.874 -15.828 7.919 1.00 36.02 C ANISOU 91 CG ARG A 27 4563 4563 4563 0 0 0 C ATOM 92 CD ARG A 27 -28.083 -17.297 8.167 1.00 34.26 C ANISOU 92 CD ARG A 27 4339 4339 4339 0 0 0 C ATOM 93 NE ARG A 27 -29.457 -17.634 8.523 1.00 38.82 N ANISOU 93 NE ARG A 27 4916 4916 4916 0 0 0 N ATOM 94 CZ ARG A 27 -30.417 -17.971 7.666 1.00 45.88 C ANISOU 94 CZ ARG A 27 5811 5811 5811 0 0 0 C ATOM 95 NH1 ARG A 27 -30.167 -18.014 6.360 1.00 33.20 N ANISOU 95 NH1 ARG A 27 4204 4204 4204 0 0 0 N ATOM 96 NH2 ARG A 27 -31.631 -18.271 8.103 1.00 36.64 N ANISOU 96 NH2 ARG A 27 4641 4641 4641 0 0 0 N ATOM 97 N GLN A 28 -26.993 -13.377 5.161 1.00 35.80 N ANISOU 97 N GLN A 28 4535 4535 4535 0 0 0 N ATOM 98 CA GLN A 28 -27.884 -12.579 4.317 1.00 35.02 C ANISOU 98 CA GLN A 28 4436 4436 4436 0 0 0 C ATOM 99 C GLN A 28 -29.158 -13.308 3.858 1.00 40.17 C ANISOU 99 C GLN A 28 5087 5087 5087 0 0 0 C ATOM 100 O GLN A 28 -29.977 -12.698 3.180 1.00 40.66 O ANISOU 100 O GLN A 28 5150 5150 5150 0 0 0 O ATOM 101 CB GLN A 28 -27.110 -11.996 3.136 1.00 35.45 C ANISOU 101 CB GLN A 28 4490 4490 4490 0 0 0 C ATOM 102 CG GLN A 28 -25.948 -11.075 3.542 1.00 41.77 C ANISOU 102 CG GLN A 28 5290 5290 5290 0 0 0 C ATOM 103 CD GLN A 28 -26.388 -9.890 4.385 1.00 60.51 C ANISOU 103 CD GLN A 28 7664 7664 7664 0 0 0 C ATOM 104 OE1 GLN A 28 -26.999 -8.936 3.892 1.00 53.61 O ANISOU 104 OE1 GLN A 28 6790 6790 6790 0 0 0 O ATOM 105 NE2 GLN A 28 -26.083 -9.932 5.675 1.00 50.99 N ANISOU 105 NE2 GLN A 28 6459 6459 6459 0 0 0 N ATOM 106 N GLY A 29 -29.345 -14.563 4.277 1.00 35.95 N ANISOU 106 N GLY A 29 4553 4553 4553 0 0 0 N ATOM 107 CA GLY A 29 -30.536 -15.335 3.957 1.00 34.22 C ANISOU 107 CA GLY A 29 4334 4334 4334 0 0 0 C ATOM 108 C GLY A 29 -30.595 -15.969 2.582 1.00 37.88 C ANISOU 108 C GLY A 29 4797 4797 4797 0 0 0 C ATOM 109 O GLY A 29 -31.647 -16.469 2.194 1.00 38.56 O ANISOU 109 O GLY A 29 4883 4883 4883 0 0 0 O ATOM 110 N GLY A 30 -29.492 -15.975 1.839 1.00 33.12 N ANISOU 110 N GLY A 30 4194 4194 4194 0 0 0 N ATOM 111 CA GLY A 30 -29.460 -16.606 0.520 1.00 32.81 C ANISOU 111 CA GLY A 30 4155 4155 4155 0 0 0 C ATOM 112 C GLY A 30 -29.678 -18.110 0.575 1.00 36.08 C ANISOU 112 C GLY A 30 4570 4570 4570 0 0 0 C ATOM 113 O GLY A 30 -30.086 -18.725 -0.415 1.00 35.95 O ANISOU 113 O GLY A 30 4553 4553 4553 0 0 0 O ATOM 114 N GLU A 31 -29.452 -18.705 1.750 1.00 31.48 N ANISOU 114 N GLU A 31 3986 3986 3986 0 0 0 N ATOM 115 CA GLU A 31 -29.625 -20.142 1.970 1.00 31.05 C ANISOU 115 CA GLU A 31 3933 3933 3933 0 0 0 C ATOM 116 C GLU A 31 -30.488 -20.411 3.213 1.00 32.59 C ANISOU 116 C GLU A 31 4127 4127 4127 0 0 0 C ATOM 117 O GLU A 31 -30.921 -19.470 3.882 1.00 30.24 O ANISOU 117 O GLU A 31 3830 3830 3830 0 0 0 O ATOM 118 CB GLU A 31 -28.251 -20.864 2.048 1.00 32.60 C ANISOU 118 CB GLU A 31 4129 4129 4129 0 0 0 C ATOM 119 CG GLU A 31 -27.420 -20.841 0.755 1.00 40.65 C ANISOU 119 CG GLU A 31 5149 5149 5149 0 0 0 C ATOM 120 CD GLU A 31 -27.963 -21.437 -0.539 1.00 75.18 C ANISOU 120 CD GLU A 31 9522 9522 9522 0 0 0 C ATOM 121 OE1 GLU A 31 -27.164 -21.533 -1.498 1.00 90.48 O ANISOU 121 OE1 GLU A 31 11459 11459 11459 0 0 0 O ATOM 122 OE2 GLU A 31 -29.168 -21.778 -0.620 1.00 62.08 O ANISOU 122 OE2 GLU A 31 7863 7863 7863 0 0 0 O ATOM 123 N SER A 32 -30.740 -21.698 3.512 1.00 29.62 N ANISOU 123 N SER A 32 3751 3751 3751 0 0 0 N ATOM 124 CA SER A 32 -31.495 -22.120 4.683 1.00 30.02 C ANISOU 124 CA SER A 32 3803 3803 3803 0 0 0 C ATOM 125 C SER A 32 -30.622 -21.873 5.895 1.00 35.32 C ANISOU 125 C SER A 32 4473 4473 4473 0 0 0 C ATOM 126 O SER A 32 -29.392 -21.763 5.762 1.00 34.37 O ANISOU 126 O SER A 32 4353 4353 4353 0 0 0 O ATOM 127 CB SER A 32 -31.822 -23.607 4.600 1.00 33.70 C ANISOU 127 CB SER A 32 4268 4268 4268 0 0 0 C ATOM 128 OG SER A 32 -30.635 -24.381 4.625 1.00 38.77 O ANISOU 128 OG SER A 32 4911 4911 4911 0 0 0 O ATOM 129 N GLU A 33 -31.260 -21.788 7.076 1.00 32.96 N ANISOU 129 N GLU A 33 4174 4174 4174 0 0 0 N ATOM 130 CA GLU A 33 -30.600 -21.624 8.359 1.00 33.19 C ANISOU 130 CA GLU A 33 4204 4204 4204 0 0 0 C ATOM 131 C GLU A 33 -29.632 -22.791 8.578 1.00 35.17 C ANISOU 131 C GLU A 33 4454 4454 4454 0 0 0 C ATOM 132 O GLU A 33 -28.508 -22.575 9.019 1.00 34.69 O ANISOU 132 O GLU A 33 4393 4393 4393 0 0 0 O ATOM 133 CB GLU A 33 -31.651 -21.609 9.493 1.00 34.98 C ANISOU 133 CB GLU A 33 4431 4431 4431 0 0 0 C ATOM 134 CG GLU A 33 -31.111 -21.065 10.806 1.00 51.66 C ANISOU 134 CG GLU A 33 6542 6542 6542 0 0 0 C ATOM 135 CD GLU A 33 -32.041 -21.117 12.005 1.00 81.77 C ANISOU 135 CD GLU A 33 10356 10356 10356 0 0 0 C ATOM 136 OE1 GLU A 33 -32.712 -22.157 12.201 1.00 79.98 O ANISOU 136 OE1 GLU A 33 10130 10130 10130 0 0 0 O ATOM 137 OE2 GLU A 33 -32.049 -20.138 12.787 1.00 79.16 O ANISOU 137 OE2 GLU A 33 10026 10026 10026 0 0 0 O ATOM 138 N THR A 34 -30.074 -24.011 8.244 1.00 32.18 N ANISOU 138 N THR A 34 4075 4075 4075 0 0 0 N ATOM 139 CA THR A 34 -29.312 -25.242 8.423 1.00 32.84 C ANISOU 139 CA THR A 34 4159 4159 4159 0 0 0 C ATOM 140 C THR A 34 -28.065 -25.250 7.494 1.00 35.60 C ANISOU 140 C THR A 34 4508 4508 4508 0 0 0 C ATOM 141 O THR A 34 -26.998 -25.617 7.976 1.00 35.86 O ANISOU 141 O THR A 34 4542 4542 4542 0 0 0 O ATOM 142 CB THR A 34 -30.218 -26.503 8.346 1.00 46.28 C ANISOU 142 CB THR A 34 5862 5862 5862 0 0 0 C ATOM 143 OG1 THR A 34 -29.413 -27.674 8.252 1.00 50.94 O ANISOU 143 OG1 THR A 34 6452 6452 6452 0 0 0 O ATOM 144 CG2 THR A 34 -31.190 -26.484 7.186 1.00 46.65 C ANISOU 144 CG2 THR A 34 5908 5908 5908 0 0 0 C ATOM 145 N PHE A 35 -28.173 -24.789 6.215 1.00 29.45 N ANISOU 145 N PHE A 35 3730 3730 3730 0 0 0 N ATOM 146 CA PHE A 35 -27.002 -24.724 5.336 1.00 27.80 C ANISOU 146 CA PHE A 35 3521 3521 3521 0 0 0 C ATOM 147 C PHE A 35 -25.965 -23.732 5.889 1.00 31.22 C ANISOU 147 C PHE A 35 3954 3954 3954 0 0 0 C ATOM 148 O PHE A 35 -24.776 -24.053 5.939 1.00 28.02 O ANISOU 148 O PHE A 35 3548 3548 3548 0 0 0 O ATOM 149 CB PHE A 35 -27.366 -24.386 3.871 1.00 28.63 C ANISOU 149 CB PHE A 35 3626 3626 3626 0 0 0 C ATOM 150 CG PHE A 35 -26.132 -24.334 2.998 1.00 29.17 C ANISOU 150 CG PHE A 35 3694 3694 3694 0 0 0 C ATOM 151 CD1 PHE A 35 -25.435 -23.144 2.824 1.00 32.37 C ANISOU 151 CD1 PHE A 35 4100 4100 4100 0 0 0 C ATOM 152 CD2 PHE A 35 -25.575 -25.501 2.487 1.00 30.64 C ANISOU 152 CD2 PHE A 35 3880 3880 3880 0 0 0 C ATOM 153 CE1 PHE A 35 -24.227 -23.118 2.117 1.00 34.05 C ANISOU 153 CE1 PHE A 35 4312 4312 4312 0 0 0 C ATOM 154 CE2 PHE A 35 -24.388 -25.466 1.744 1.00 32.79 C ANISOU 154 CE2 PHE A 35 4153 4153 4153 0 0 0 C ATOM 155 CZ PHE A 35 -23.720 -24.280 1.574 1.00 30.89 C ANISOU 155 CZ PHE A 35 3912 3912 3912 0 0 0 C ATOM 156 N ALA A 36 -26.425 -22.530 6.298 1.00 29.67 N ANISOU 156 N ALA A 36 3758 3758 3758 0 0 0 N ATOM 157 CA ALA A 36 -25.575 -21.472 6.837 1.00 29.99 C ANISOU 157 CA ALA A 36 3798 3798 3798 0 0 0 C ATOM 158 C ALA A 36 -24.807 -21.959 8.079 1.00 34.33 C ANISOU 158 C ALA A 36 4348 4348 4348 0 0 0 C ATOM 159 O ALA A 36 -23.603 -21.731 8.174 1.00 33.41 O ANISOU 159 O ALA A 36 4232 4232 4232 0 0 0 O ATOM 160 CB ALA A 36 -26.414 -20.243 7.163 1.00 30.50 C ANISOU 160 CB ALA A 36 3863 3863 3863 0 0 0 C ATOM 161 N LYS A 37 -25.498 -22.679 8.972 1.00 31.67 N ANISOU 161 N LYS A 37 4011 4011 4011 0 0 0 N ATOM 162 CA LYS A 37 -24.963 -23.268 10.190 1.00 32.79 C ANISOU 162 CA LYS A 37 4153 4153 4153 0 0 0 C ATOM 163 C LYS A 37 -23.841 -24.256 9.874 1.00 35.44 C ANISOU 163 C LYS A 37 4489 4489 4489 0 0 0 C ATOM 164 O LYS A 37 -22.745 -24.086 10.403 1.00 35.03 O ANISOU 164 O LYS A 37 4437 4437 4437 0 0 0 O ATOM 165 CB LYS A 37 -26.082 -23.929 11.014 1.00 36.25 C ANISOU 165 CB LYS A 37 4591 4591 4591 0 0 0 C ATOM 166 CG LYS A 37 -25.852 -23.856 12.516 1.00 57.46 C ANISOU 166 CG LYS A 37 7278 7278 7278 0 0 0 C ATOM 167 CD LYS A 37 -26.877 -24.697 13.261 1.00 73.47 C ANISOU 167 CD LYS A 37 9305 9305 9305 0 0 0 C ATOM 168 CE LYS A 37 -26.448 -25.030 14.672 1.00 84.47 C ANISOU 168 CE LYS A 37 10698 10698 10698 0 0 0 C ATOM 169 NZ LYS A 37 -27.188 -26.207 15.205 1.00 91.75 N ANISOU 169 NZ LYS A 37 11620 11620 11620 0 0 0 N ATOM 170 N ARG A 38 -24.079 -25.207 8.947 1.00 32.01 N ANISOU 170 N ARG A 38 4055 4055 4055 0 0 0 N ATOM 171 CA ARG A 38 -23.075 -26.186 8.505 1.00 31.21 C ANISOU 171 CA ARG A 38 3952 3952 3952 0 0 0 C ATOM 172 C ARG A 38 -21.852 -25.485 7.889 1.00 33.89 C ANISOU 172 C ARG A 38 4293 4293 4293 0 0 0 C ATOM 173 O ARG A 38 -20.722 -25.868 8.196 1.00 31.77 O ANISOU 173 O ARG A 38 4023 4023 4023 0 0 0 O ATOM 174 CB ARG A 38 -23.669 -27.200 7.505 1.00 31.58 C ANISOU 174 CB ARG A 38 4000 4000 4000 0 0 0 C ATOM 175 CG ARG A 38 -24.820 -28.088 8.013 1.00 41.44 C ANISOU 175 CG ARG A 38 5249 5249 5249 0 0 0 C ATOM 176 CD ARG A 38 -24.448 -29.133 9.070 1.00 49.97 C ANISOU 176 CD ARG A 38 6329 6329 6329 0 0 0 C ATOM 177 NE ARG A 38 -24.469 -28.570 10.426 1.00 62.28 N ANISOU 177 NE ARG A 38 7888 7888 7888 0 0 0 N ATOM 178 CZ ARG A 38 -25.567 -28.376 11.160 1.00 74.61 C ANISOU 178 CZ ARG A 38 9449 9449 9449 0 0 0 C ATOM 179 NH1 ARG A 38 -26.764 -28.712 10.685 1.00 65.84 N ANISOU 179 NH1 ARG A 38 8339 8339 8339 0 0 0 N ATOM 180 NH2 ARG A 38 -25.476 -27.839 12.372 1.00 51.01 N ANISOU 180 NH2 ARG A 38 6460 6460 6460 0 0 0 N ATOM 181 N ALA A 39 -22.078 -24.454 7.027 1.00 30.84 N ANISOU 181 N ALA A 39 3906 3906 3906 0 0 0 N ATOM 182 CA ALA A 39 -20.989 -23.700 6.399 1.00 30.91 C ANISOU 182 CA ALA A 39 3915 3915 3915 0 0 0 C ATOM 183 C ALA A 39 -20.126 -22.969 7.443 1.00 34.54 C ANISOU 183 C ALA A 39 4374 4374 4374 0 0 0 C ATOM 184 O ALA A 39 -18.899 -23.003 7.358 1.00 32.19 O ANISOU 184 O ALA A 39 4077 4077 4077 0 0 0 O ATOM 185 CB ALA A 39 -21.527 -22.720 5.364 1.00 31.01 C ANISOU 185 CB ALA A 39 3928 3928 3928 0 0 0 C ATOM 186 N ILE A 40 -20.773 -22.349 8.436 1.00 32.85 N ANISOU 186 N ILE A 40 4160 4160 4160 0 0 0 N ATOM 187 CA ILE A 40 -20.089 -21.587 9.490 1.00 32.59 C ANISOU 187 CA ILE A 40 4127 4127 4127 0 0 0 C ATOM 188 C ILE A 40 -19.354 -22.531 10.427 1.00 35.43 C ANISOU 188 C ILE A 40 4487 4487 4487 0 0 0 C ATOM 189 O ILE A 40 -18.183 -22.288 10.693 1.00 35.93 O ANISOU 189 O ILE A 40 4551 4551 4551 0 0 0 O ATOM 190 CB ILE A 40 -21.016 -20.568 10.213 1.00 34.77 C ANISOU 190 CB ILE A 40 4404 4404 4404 0 0 0 C ATOM 191 CG1 ILE A 40 -21.565 -19.559 9.183 1.00 34.69 C ANISOU 191 CG1 ILE A 40 4394 4394 4394 0 0 0 C ATOM 192 CG2 ILE A 40 -20.240 -19.842 11.336 1.00 36.40 C ANISOU 192 CG2 ILE A 40 4610 4610 4610 0 0 0 C ATOM 193 CD1 ILE A 40 -22.564 -18.421 9.682 1.00 28.78 C ANISOU 193 CD1 ILE A 40 3645 3645 3645 0 0 0 C ATOM 194 N GLU A 41 -20.002 -23.629 10.855 1.00 32.47 N ANISOU 194 N GLU A 41 4112 4112 4112 0 0 0 N ATOM 195 CA GLU A 41 -19.399 -24.678 11.695 1.00 32.35 C ANISOU 195 CA GLU A 41 4097 4097 4097 0 0 0 C ATOM 196 C GLU A 41 -18.112 -25.240 11.053 1.00 37.61 C ANISOU 196 C GLU A 41 4763 4763 4763 0 0 0 C ATOM 197 O GLU A 41 -17.078 -25.332 11.722 1.00 37.05 O ANISOU 197 O GLU A 41 4693 4693 4693 0 0 0 O ATOM 198 CB GLU A 41 -20.392 -25.822 11.920 1.00 33.63 C ANISOU 198 CB GLU A 41 4259 4259 4259 0 0 0 C ATOM 199 CG GLU A 41 -21.397 -25.544 13.019 1.00 45.22 C ANISOU 199 CG GLU A 41 5727 5727 5727 0 0 0 C ATOM 200 CD GLU A 41 -22.567 -26.503 13.115 1.00 60.67 C ANISOU 200 CD GLU A 41 7683 7683 7683 0 0 0 C ATOM 201 OE1 GLU A 41 -22.654 -27.448 12.296 1.00 48.11 O ANISOU 201 OE1 GLU A 41 6093 6093 6093 0 0 0 O ATOM 202 OE2 GLU A 41 -23.406 -26.303 14.022 1.00 61.68 O ANISOU 202 OE2 GLU A 41 7811 7811 7811 0 0 0 O ATOM 203 N SER A 42 -18.180 -25.583 9.745 1.00 33.18 N ANISOU 203 N SER A 42 4202 4202 4202 0 0 0 N ATOM 204 CA SER A 42 -17.059 -26.116 8.972 1.00 31.77 C ANISOU 204 CA SER A 42 4024 4024 4024 0 0 0 C ATOM 205 C SER A 42 -15.887 -25.135 8.985 1.00 35.26 C ANISOU 205 C SER A 42 4465 4465 4465 0 0 0 C ATOM 206 O SER A 42 -14.772 -25.556 9.275 1.00 34.39 O ANISOU 206 O SER A 42 4356 4356 4356 0 0 0 O ATOM 207 CB SER A 42 -17.507 -26.427 7.545 1.00 33.41 C ANISOU 207 CB SER A 42 4231 4231 4231 0 0 0 C ATOM 208 OG SER A 42 -16.425 -26.644 6.660 1.00 38.42 O ANISOU 208 OG SER A 42 4867 4867 4867 0 0 0 O ATOM 209 N LEU A 43 -16.158 -23.822 8.744 1.00 30.83 N ANISOU 209 N LEU A 43 3905 3905 3905 0 0 0 N ATOM 210 CA LEU A 43 -15.155 -22.761 8.742 1.00 31.93 C ANISOU 210 CA LEU A 43 4043 4043 4043 0 0 0 C ATOM 211 C LEU A 43 -14.526 -22.535 10.128 1.00 39.67 C ANISOU 211 C LEU A 43 5024 5024 5024 0 0 0 C ATOM 212 O LEU A 43 -13.297 -22.492 10.238 1.00 39.69 O ANISOU 212 O LEU A 43 5027 5027 5027 0 0 0 O ATOM 213 CB LEU A 43 -15.737 -21.445 8.166 1.00 31.50 C ANISOU 213 CB LEU A 43 3989 3989 3989 0 0 0 C ATOM 214 CG LEU A 43 -14.806 -20.226 8.069 1.00 35.16 C ANISOU 214 CG LEU A 43 4453 4453 4453 0 0 0 C ATOM 215 CD1 LEU A 43 -13.515 -20.549 7.327 1.00 35.96 C ANISOU 215 CD1 LEU A 43 4555 4555 4555 0 0 0 C ATOM 216 CD2 LEU A 43 -15.497 -19.074 7.400 1.00 33.29 C ANISOU 216 CD2 LEU A 43 4217 4217 4217 0 0 0 C ATOM 217 N VAL A 44 -15.365 -22.395 11.167 1.00 36.74 N ANISOU 217 N VAL A 44 4653 4653 4653 0 0 0 N ATOM 218 CA VAL A 44 -14.921 -22.180 12.546 1.00 36.43 C ANISOU 218 CA VAL A 44 4614 4614 4614 0 0 0 C ATOM 219 C VAL A 44 -14.021 -23.346 13.005 1.00 40.43 C ANISOU 219 C VAL A 44 5120 5120 5120 0 0 0 C ATOM 220 O VAL A 44 -12.933 -23.083 13.514 1.00 40.81 O ANISOU 220 O VAL A 44 5169 5169 5169 0 0 0 O ATOM 221 CB VAL A 44 -16.101 -21.862 13.507 1.00 39.59 C ANISOU 221 CB VAL A 44 5014 5014 5014 0 0 0 C ATOM 222 CG1 VAL A 44 -15.647 -21.818 14.969 1.00 39.70 C ANISOU 222 CG1 VAL A 44 5028 5028 5028 0 0 0 C ATOM 223 CG2 VAL A 44 -16.738 -20.534 13.128 1.00 39.36 C ANISOU 223 CG2 VAL A 44 4986 4986 4986 0 0 0 C ATOM 224 N LYS A 45 -14.409 -24.600 12.722 1.00 36.97 N ANISOU 224 N LYS A 45 4683 4683 4683 0 0 0 N ATOM 225 CA LYS A 45 -13.599 -25.764 13.083 1.00 37.55 C ANISOU 225 CA LYS A 45 4756 4756 4756 0 0 0 C ATOM 226 C LYS A 45 -12.166 -25.725 12.480 1.00 42.79 C ANISOU 226 C LYS A 45 5419 5419 5419 0 0 0 C ATOM 227 O LYS A 45 -11.216 -26.068 13.175 1.00 43.25 O ANISOU 227 O LYS A 45 5478 5478 5478 0 0 0 O ATOM 228 CB LYS A 45 -14.320 -27.080 12.767 1.00 39.67 C ANISOU 228 CB LYS A 45 5025 5025 5025 0 0 0 C ATOM 229 CG LYS A 45 -13.801 -28.243 13.615 1.00 52.64 C ANISOU 229 CG LYS A 45 6667 6667 6667 0 0 0 C ATOM 230 CD LYS A 45 -14.430 -29.577 13.247 1.00 62.95 C ANISOU 230 CD LYS A 45 7973 7973 7973 0 0 0 C ATOM 231 CE LYS A 45 -13.924 -30.678 14.151 1.00 69.96 C ANISOU 231 CE LYS A 45 8861 8861 8861 0 0 0 C ATOM 232 NZ LYS A 45 -14.676 -31.946 13.957 1.00 71.90 N ANISOU 232 NZ LYS A 45 9106 9106 9106 0 0 0 N ATOM 233 N LYS A 46 -12.016 -25.260 11.231 1.00 38.58 N ANISOU 233 N LYS A 46 4886 4886 4886 0 0 0 N ATOM 234 CA LYS A 46 -10.724 -25.146 10.539 1.00 38.40 C ANISOU 234 CA LYS A 46 4864 4864 4864 0 0 0 C ATOM 235 C LYS A 46 -9.848 -24.043 11.127 1.00 45.77 C ANISOU 235 C LYS A 46 5796 5796 5796 0 0 0 C ATOM 236 O LYS A 46 -8.624 -24.115 11.026 1.00 45.95 O ANISOU 236 O LYS A 46 5820 5820 5820 0 0 0 O ATOM 237 CB LYS A 46 -10.937 -24.878 9.040 1.00 37.80 C ANISOU 237 CB LYS A 46 4788 4788 4788 0 0 0 C ATOM 238 CG LYS A 46 -11.466 -26.090 8.300 1.00 34.85 C ANISOU 238 CG LYS A 46 4414 4414 4414 0 0 0 C ATOM 239 CD LYS A 46 -11.911 -25.729 6.891 1.00 35.52 C ANISOU 239 CD LYS A 46 4498 4498 4498 0 0 0 C ATOM 240 CE LYS A 46 -12.513 -26.925 6.197 1.00 32.12 C ANISOU 240 CE LYS A 46 4069 4069 4069 0 0 0 C ATOM 241 NZ LYS A 46 -13.069 -26.560 4.861 1.00 32.18 N ANISOU 241 NZ LYS A 46 4075 4075 4075 0 0 0 N ATOM 242 N LEU A 47 -10.483 -22.996 11.673 1.00 44.72 N ANISOU 242 N LEU A 47 5664 5664 5664 0 0 0 N ATOM 243 CA LEU A 47 -9.815 -21.832 12.258 1.00 44.99 C ANISOU 243 CA LEU A 47 5699 5699 5699 0 0 0 C ATOM 244 C LEU A 47 -9.627 -21.951 13.779 1.00 51.93 C ANISOU 244 C LEU A 47 6577 6577 6577 0 0 0 C ATOM 245 O LEU A 47 -9.095 -21.025 14.389 1.00 51.21 O ANISOU 245 O LEU A 47 6485 6485 6485 0 0 0 O ATOM 246 CB LEU A 47 -10.575 -20.536 11.918 1.00 44.21 C ANISOU 246 CB LEU A 47 5600 5600 5600 0 0 0 C ATOM 247 CG LEU A 47 -10.835 -20.188 10.456 1.00 46.61 C ANISOU 247 CG LEU A 47 5903 5903 5903 0 0 0 C ATOM 248 CD1 LEU A 47 -11.748 -19.010 10.367 1.00 45.84 C ANISOU 248 CD1 LEU A 47 5805 5805 5805 0 0 0 C ATOM 249 CD2 LEU A 47 -9.551 -19.925 9.683 1.00 46.78 C ANISOU 249 CD2 LEU A 47 5925 5925 5925 0 0 0 C ATOM 250 N LYS A 48 -10.056 -23.081 14.380 1.00 51.59 N ANISOU 250 N LYS A 48 6534 6534 6534 0 0 0 N ATOM 251 CA LYS A 48 -9.959 -23.347 15.818 1.00 53.33 C ANISOU 251 CA LYS A 48 6754 6754 6754 0 0 0 C ATOM 252 C LYS A 48 -8.515 -23.276 16.330 1.00 61.20 C ANISOU 252 C LYS A 48 7751 7751 7751 0 0 0 C ATOM 253 O LYS A 48 -8.284 -22.677 17.378 1.00 62.75 O ANISOU 253 O LYS A 48 7948 7948 7948 0 0 0 O ATOM 254 CB LYS A 48 -10.620 -24.686 16.185 1.00 56.06 C ANISOU 254 CB LYS A 48 7100 7100 7100 0 0 0 C ATOM 255 N GLU A 49 -7.544 -23.833 15.580 1.00 58.48 N ANISOU 255 N GLU A 49 7407 7407 7407 0 0 0 N ATOM 256 CA GLU A 49 -6.134 -23.778 15.974 1.00 58.26 C ANISOU 256 CA GLU A 49 7379 7379 7379 0 0 0 C ATOM 257 C GLU A 49 -5.371 -22.664 15.232 1.00 60.94 C ANISOU 257 C GLU A 49 7719 7719 7719 0 0 0 C ATOM 258 O GLU A 49 -4.141 -22.701 15.147 1.00 62.03 O ANISOU 258 O GLU A 49 7857 7857 7857 0 0 0 O ATOM 259 CB GLU A 49 -5.461 -25.151 15.817 1.00 59.74 C ANISOU 259 CB GLU A 49 7566 7566 7566 0 0 0 C ATOM 260 N LYS A 50 -6.105 -21.670 14.701 1.00 54.66 N ANISOU 260 N LYS A 50 6923 6923 6923 0 0 0 N ATOM 261 CA LYS A 50 -5.537 -20.523 13.994 1.00 53.31 C ANISOU 261 CA LYS A 50 6752 6752 6752 0 0 0 C ATOM 262 C LYS A 50 -6.178 -19.236 14.542 1.00 58.75 C ANISOU 262 C LYS A 50 7441 7441 7441 0 0 0 C ATOM 263 O LYS A 50 -6.904 -18.545 13.826 1.00 58.17 O ANISOU 263 O LYS A 50 7367 7367 7367 0 0 0 O ATOM 264 CB LYS A 50 -5.702 -20.650 12.464 1.00 53.98 C ANISOU 264 CB LYS A 50 6837 6837 6837 0 0 0 C ATOM 265 CG LYS A 50 -5.280 -21.998 11.862 1.00 56.21 C ANISOU 265 CG LYS A 50 7119 7119 7119 0 0 0 C ATOM 266 CD LYS A 50 -4.860 -21.913 10.391 1.00 55.47 C ANISOU 266 CD LYS A 50 7026 7026 7026 0 0 0 C ATOM 267 CE LYS A 50 -5.988 -21.587 9.431 1.00 60.52 C ANISOU 267 CE LYS A 50 7665 7665 7665 0 0 0 C ATOM 268 NZ LYS A 50 -5.484 -21.398 8.043 1.00 66.08 N ANISOU 268 NZ LYS A 50 8370 8370 8370 0 0 0 N ATOM 269 N LYS A 51 -5.907 -18.941 15.837 1.00 56.80 N ANISOU 269 N LYS A 51 7194 7194 7194 0 0 0 N ATOM 270 CA LYS A 51 -6.410 -17.802 16.619 1.00 56.56 C ANISOU 270 CA LYS A 51 7164 7164 7164 0 0 0 C ATOM 271 C LYS A 51 -6.452 -16.471 15.878 1.00 58.92 C ANISOU 271 C LYS A 51 7462 7462 7462 0 0 0 C ATOM 272 O LYS A 51 -7.494 -15.820 15.888 1.00 58.28 O ANISOU 272 O LYS A 51 7381 7381 7381 0 0 0 O ATOM 273 CB LYS A 51 -5.611 -17.649 17.930 1.00 59.89 C ANISOU 273 CB LYS A 51 7585 7585 7585 0 0 0 C ATOM 274 N ASP A 52 -5.336 -16.071 15.233 1.00 55.50 N ANISOU 274 N ASP A 52 7029 7029 7029 0 0 0 N ATOM 275 CA ASP A 52 -5.229 -14.803 14.502 1.00 55.48 C ANISOU 275 CA ASP A 52 7026 7026 7026 0 0 0 C ATOM 276 C ASP A 52 -6.202 -14.706 13.328 1.00 56.96 C ANISOU 276 C ASP A 52 7214 7214 7214 0 0 0 C ATOM 277 O ASP A 52 -6.795 -13.643 13.120 1.00 56.22 O ANISOU 277 O ASP A 52 7121 7121 7121 0 0 0 O ATOM 278 CB ASP A 52 -3.782 -14.551 14.023 1.00 58.55 C ANISOU 278 CB ASP A 52 7416 7416 7416 0 0 0 C ATOM 279 CG ASP A 52 -2.770 -14.326 15.137 1.00 75.86 C ANISOU 279 CG ASP A 52 9608 9608 9608 0 0 0 C ATOM 280 OD1 ASP A 52 -3.010 -13.438 15.993 1.00 77.34 O ANISOU 280 OD1 ASP A 52 9795 9795 9795 0 0 0 O ATOM 281 OD2 ASP A 52 -1.722 -15.013 15.136 1.00 83.39 O ANISOU 281 OD2 ASP A 52 10561 10561 10561 0 0 0 O ATOM 282 N GLU A 53 -6.347 -15.808 12.553 1.00 51.27 N ANISOU 282 N GLU A 53 6494 6494 6494 0 0 0 N ATOM 283 CA GLU A 53 -7.245 -15.875 11.393 1.00 49.77 C ANISOU 283 CA GLU A 53 6303 6303 6303 0 0 0 C ATOM 284 C GLU A 53 -8.723 -15.850 11.815 1.00 50.15 C ANISOU 284 C GLU A 53 6352 6352 6352 0 0 0 C ATOM 285 O GLU A 53 -9.504 -15.132 11.195 1.00 48.59 O ANISOU 285 O GLU A 53 6154 6154 6154 0 0 0 O ATOM 286 CB GLU A 53 -6.905 -17.064 10.490 1.00 50.95 C ANISOU 286 CB GLU A 53 6453 6453 6453 0 0 0 C ATOM 287 CG GLU A 53 -5.612 -16.842 9.721 1.00 59.24 C ANISOU 287 CG GLU A 53 7503 7503 7503 0 0 0 C ATOM 288 CD GLU A 53 -5.175 -17.990 8.839 1.00 73.54 C ANISOU 288 CD GLU A 53 9314 9314 9314 0 0 0 C ATOM 289 OE1 GLU A 53 -4.137 -18.616 9.143 1.00 75.17 O ANISOU 289 OE1 GLU A 53 9520 9520 9520 0 0 0 O ATOM 290 OE2 GLU A 53 -5.857 -18.248 7.825 1.00 66.82 O ANISOU 290 OE2 GLU A 53 8462 8462 8462 0 0 0 O ATOM 291 N LEU A 54 -9.077 -16.566 12.912 1.00 45.65 N ANISOU 291 N LEU A 54 5781 5781 5781 0 0 0 N ATOM 292 CA LEU A 54 -10.413 -16.594 13.505 1.00 45.84 C ANISOU 292 CA LEU A 54 5806 5806 5806 0 0 0 C ATOM 293 C LEU A 54 -10.808 -15.188 13.997 1.00 52.36 C ANISOU 293 C LEU A 54 6632 6632 6632 0 0 0 C ATOM 294 O LEU A 54 -11.929 -14.747 13.725 1.00 52.16 O ANISOU 294 O LEU A 54 6606 6606 6606 0 0 0 O ATOM 295 CB LEU A 54 -10.444 -17.610 14.662 1.00 46.09 C ANISOU 295 CB LEU A 54 5837 5837 5837 0 0 0 C ATOM 296 CG LEU A 54 -11.765 -17.810 15.423 1.00 51.19 C ANISOU 296 CG LEU A 54 6483 6483 6483 0 0 0 C ATOM 297 CD1 LEU A 54 -12.770 -18.628 14.613 1.00 51.85 C ANISOU 297 CD1 LEU A 54 6566 6566 6566 0 0 0 C ATOM 298 CD2 LEU A 54 -11.522 -18.522 16.725 1.00 54.23 C ANISOU 298 CD2 LEU A 54 6868 6868 6868 0 0 0 C ATOM 299 N ASP A 55 -9.873 -14.472 14.683 1.00 49.41 N ANISOU 299 N ASP A 55 6257 6257 6257 0 0 0 N ATOM 300 CA ASP A 55 -10.105 -13.110 15.188 1.00 49.02 C ANISOU 300 CA ASP A 55 6208 6208 6208 0 0 0 C ATOM 301 C ASP A 55 -10.344 -12.151 14.047 1.00 52.18 C ANISOU 301 C ASP A 55 6609 6609 6609 0 0 0 C ATOM 302 O ASP A 55 -11.212 -11.289 14.172 1.00 52.91 O ANISOU 302 O ASP A 55 6701 6701 6701 0 0 0 O ATOM 303 CB ASP A 55 -8.923 -12.597 16.035 1.00 50.47 C ANISOU 303 CB ASP A 55 6392 6392 6392 0 0 0 C ATOM 304 CG ASP A 55 -8.635 -13.332 17.322 1.00 56.93 C ANISOU 304 CG ASP A 55 7210 7210 7210 0 0 0 C ATOM 305 OD1 ASP A 55 -9.538 -14.043 17.823 1.00 57.60 O ANISOU 305 OD1 ASP A 55 7295 7295 7295 0 0 0 O ATOM 306 OD2 ASP A 55 -7.515 -13.195 17.832 1.00 64.55 O ANISOU 306 OD2 ASP A 55 8175 8175 8175 0 0 0 O ATOM 307 N SER A 56 -9.583 -12.295 12.934 1.00 47.31 N ANISOU 307 N SER A 56 5992 5992 5992 0 0 0 N ATOM 308 CA SER A 56 -9.737 -11.460 11.747 1.00 47.32 C ANISOU 308 CA SER A 56 5993 5993 5993 0 0 0 C ATOM 309 C SER A 56 -11.103 -11.703 11.099 1.00 50.09 C ANISOU 309 C SER A 56 6345 6345 6345 0 0 0 C ATOM 310 O SER A 56 -11.668 -10.762 10.556 1.00 50.48 O ANISOU 310 O SER A 56 6394 6394 6394 0 0 0 O ATOM 311 CB SER A 56 -8.626 -11.720 10.733 1.00 52.28 C ANISOU 311 CB SER A 56 6622 6622 6622 0 0 0 C ATOM 312 OG SER A 56 -7.345 -11.676 11.337 1.00 64.26 O ANISOU 312 OG SER A 56 8139 8139 8139 0 0 0 O ATOM 313 N LEU A 57 -11.632 -12.947 11.172 1.00 44.95 N ANISOU 313 N LEU A 57 5694 5694 5694 0 0 0 N ATOM 314 CA LEU A 57 -12.944 -13.305 10.629 1.00 43.99 C ANISOU 314 CA LEU A 57 5571 5571 5571 0 0 0 C ATOM 315 C LEU A 57 -14.058 -12.674 11.474 1.00 50.02 C ANISOU 315 C LEU A 57 6335 6335 6335 0 0 0 C ATOM 316 O LEU A 57 -14.899 -11.971 10.915 1.00 49.57 O ANISOU 316 O LEU A 57 6278 6278 6278 0 0 0 O ATOM 317 CB LEU A 57 -13.129 -14.837 10.493 1.00 42.90 C ANISOU 317 CB LEU A 57 5434 5434 5434 0 0 0 C ATOM 318 CG LEU A 57 -14.547 -15.330 10.085 1.00 45.11 C ANISOU 318 CG LEU A 57 5713 5713 5713 0 0 0 C ATOM 319 CD1 LEU A 57 -14.836 -15.078 8.630 1.00 44.53 C ANISOU 319 CD1 LEU A 57 5640 5640 5640 0 0 0 C ATOM 320 CD2 LEU A 57 -14.757 -16.780 10.437 1.00 42.53 C ANISOU 320 CD2 LEU A 57 5387 5387 5387 0 0 0 C ATOM 321 N ILE A 58 -14.050 -12.902 12.804 1.00 48.52 N ANISOU 321 N ILE A 58 6146 6146 6146 0 0 0 N ATOM 322 CA ILE A 58 -15.060 -12.353 13.718 1.00 49.08 C ANISOU 322 CA ILE A 58 6217 6217 6217 0 0 0 C ATOM 323 C ILE A 58 -15.099 -10.822 13.621 1.00 54.55 C ANISOU 323 C ILE A 58 6908 6908 6908 0 0 0 C ATOM 324 O ILE A 58 -16.174 -10.272 13.389 1.00 54.59 O ANISOU 324 O ILE A 58 6914 6914 6914 0 0 0 O ATOM 325 CB ILE A 58 -14.928 -12.878 15.173 1.00 52.18 C ANISOU 325 CB ILE A 58 6609 6609 6609 0 0 0 C ATOM 326 CG1 ILE A 58 -14.997 -14.421 15.203 1.00 51.97 C ANISOU 326 CG1 ILE A 58 6581 6581 6581 0 0 0 C ATOM 327 CG2 ILE A 58 -16.025 -12.271 16.080 1.00 53.54 C ANISOU 327 CG2 ILE A 58 6781 6781 6781 0 0 0 C ATOM 328 CD1 ILE A 58 -14.415 -15.103 16.448 1.00 54.00 C ANISOU 328 CD1 ILE A 58 6839 6839 6839 0 0 0 C ATOM 329 N THR A 59 -13.927 -10.158 13.668 1.00 51.06 N ANISOU 329 N THR A 59 6467 6467 6467 0 0 0 N ATOM 330 CA THR A 59 -13.826 -8.702 13.572 1.00 50.90 C ANISOU 330 CA THR A 59 6447 6447 6447 0 0 0 C ATOM 331 C THR A 59 -14.365 -8.191 12.226 1.00 54.84 C ANISOU 331 C THR A 59 6946 6946 6946 0 0 0 C ATOM 332 O THR A 59 -15.098 -7.201 12.219 1.00 55.24 O ANISOU 332 O THR A 59 6997 6997 6997 0 0 0 O ATOM 333 CB THR A 59 -12.396 -8.209 13.899 1.00 55.68 C ANISOU 333 CB THR A 59 7051 7051 7051 0 0 0 C ATOM 334 OG1 THR A 59 -11.961 -8.798 15.128 1.00 54.35 O ANISOU 334 OG1 THR A 59 6884 6884 6884 0 0 0 O ATOM 335 CG2 THR A 59 -12.314 -6.702 14.033 1.00 56.13 C ANISOU 335 CG2 THR A 59 7109 7109 7109 0 0 0 C ATOM 336 N ALA A 60 -14.040 -8.869 11.108 1.00 49.89 N ANISOU 336 N ALA A 60 6318 6318 6318 0 0 0 N ATOM 337 CA ALA A 60 -14.512 -8.456 9.778 1.00 49.04 C ANISOU 337 CA ALA A 60 6212 6212 6212 0 0 0 C ATOM 338 C ALA A 60 -16.027 -8.616 9.606 1.00 52.42 C ANISOU 338 C ALA A 60 6640 6640 6640 0 0 0 C ATOM 339 O ALA A 60 -16.672 -7.700 9.102 1.00 52.29 O ANISOU 339 O ALA A 60 6623 6623 6623 0 0 0 O ATOM 340 CB ALA A 60 -13.768 -9.203 8.676 1.00 49.44 C ANISOU 340 CB ALA A 60 6262 6262 6262 0 0 0 C ATOM 341 N ILE A 61 -16.592 -9.760 10.037 1.00 48.53 N ANISOU 341 N ILE A 61 6147 6147 6147 0 0 0 N ATOM 342 CA ILE A 61 -18.032 -10.043 9.919 1.00 48.04 C ANISOU 342 CA ILE A 61 6085 6085 6085 0 0 0 C ATOM 343 C ILE A 61 -18.878 -9.150 10.858 1.00 53.51 C ANISOU 343 C ILE A 61 6777 6777 6777 0 0 0 C ATOM 344 O ILE A 61 -19.838 -8.529 10.398 1.00 52.28 O ANISOU 344 O ILE A 61 6621 6621 6621 0 0 0 O ATOM 345 CB ILE A 61 -18.338 -11.569 10.100 1.00 50.09 C ANISOU 345 CB ILE A 61 6344 6344 6344 0 0 0 C ATOM 346 CG1 ILE A 61 -17.573 -12.469 9.084 1.00 49.15 C ANISOU 346 CG1 ILE A 61 6225 6225 6225 0 0 0 C ATOM 347 CG2 ILE A 61 -19.844 -11.882 10.097 1.00 49.85 C ANISOU 347 CG2 ILE A 61 6314 6314 6314 0 0 0 C ATOM 348 CD1 ILE A 61 -17.542 -11.999 7.641 1.00 50.52 C ANISOU 348 CD1 ILE A 61 6398 6398 6398 0 0 0 C ATOM 349 N THR A 62 -18.504 -9.100 12.154 1.00 52.47 N ANISOU 349 N THR A 62 6645 6645 6645 0 0 0 N ATOM 350 CA THR A 62 -19.153 -8.363 13.259 1.00 53.81 C ANISOU 350 CA THR A 62 6816 6816 6816 0 0 0 C ATOM 351 C THR A 62 -19.274 -6.843 12.982 1.00 60.29 C ANISOU 351 C THR A 62 7636 7636 7636 0 0 0 C ATOM 352 O THR A 62 -20.301 -6.255 13.321 1.00 60.62 O ANISOU 352 O THR A 62 7677 7677 7677 0 0 0 O ATOM 353 CB THR A 62 -18.427 -8.712 14.588 1.00 64.94 C ANISOU 353 CB THR A 62 8225 8225 8225 0 0 0 C ATOM 354 OG1 THR A 62 -19.176 -9.702 15.291 1.00 63.31 O ANISOU 354 OG1 THR A 62 8019 8019 8019 0 0 0 O ATOM 355 CG2 THR A 62 -18.146 -7.514 15.489 1.00 68.00 C ANISOU 355 CG2 THR A 62 8613 8613 8613 0 0 0 C ATOM 356 N THR A 63 -18.255 -6.231 12.354 1.00 58.74 N ANISOU 356 N THR A 63 7440 7440 7440 0 0 0 N ATOM 357 CA THR A 63 -18.219 -4.797 12.043 1.00 59.01 C ANISOU 357 CA THR A 63 7474 7474 7474 0 0 0 C ATOM 358 C THR A 63 -18.650 -4.488 10.612 1.00 63.87 C ANISOU 358 C THR A 63 8089 8089 8089 0 0 0 C ATOM 359 O THR A 63 -18.622 -3.325 10.210 1.00 63.20 O ANISOU 359 O THR A 63 8004 8004 8004 0 0 0 O ATOM 360 CB THR A 63 -16.814 -4.234 12.293 1.00 68.19 C ANISOU 360 CB THR A 63 8636 8636 8636 0 0 0 C ATOM 361 OG1 THR A 63 -15.908 -4.812 11.353 1.00 65.84 O ANISOU 361 OG1 THR A 63 8339 8339 8339 0 0 0 O ATOM 362 CG2 THR A 63 -16.333 -4.438 13.733 1.00 68.22 C ANISOU 362 CG2 THR A 63 8641 8641 8641 0 0 0 C ATOM 363 N ASN A 64 -19.030 -5.526 9.838 1.00 61.75 N ANISOU 363 N ASN A 64 7821 7821 7821 0 0 0 N ATOM 364 CA ASN A 64 -19.433 -5.425 8.427 1.00 61.91 C ANISOU 364 CA ASN A 64 7841 7841 7841 0 0 0 C ATOM 365 C ASN A 64 -18.328 -4.797 7.563 1.00 66.14 C ANISOU 365 C ASN A 64 8377 8377 8377 0 0 0 C ATOM 366 O ASN A 64 -18.585 -3.925 6.725 1.00 65.34 O ANISOU 366 O ASN A 64 8275 8275 8275 0 0 0 O ATOM 367 CB ASN A 64 -20.801 -4.737 8.251 1.00 62.34 C ANISOU 367 CB ASN A 64 7895 7895 7895 0 0 0 C ATOM 368 CG ASN A 64 -21.936 -5.499 8.898 1.00 72.12 C ANISOU 368 CG ASN A 64 9134 9134 9134 0 0 0 C ATOM 369 OD1 ASN A 64 -22.212 -6.662 8.581 1.00 68.86 O ANISOU 369 OD1 ASN A 64 8721 8721 8721 0 0 0 O ATOM 370 ND2 ASN A 64 -22.619 -4.862 9.825 1.00 53.30 N ANISOU 370 ND2 ASN A 64 6751 6751 6751 0 0 0 N ATOM 371 N GLY A 65 -17.106 -5.292 7.784 1.00 64.22 N ANISOU 371 N GLY A 65 8133 8133 8133 0 0 0 N ATOM 372 CA GLY A 65 -15.884 -4.898 7.088 1.00 65.32 C ANISOU 372 CA GLY A 65 8272 8272 8272 0 0 0 C ATOM 373 C GLY A 65 -15.568 -3.420 7.153 1.00 72.22 C ANISOU 373 C GLY A 65 9146 9146 9146 0 0 0 C ATOM 374 O GLY A 65 -15.030 -2.862 6.189 1.00 71.41 O ANISOU 374 O GLY A 65 9044 9044 9044 0 0 0 O ATOM 375 N ALA A 66 -15.921 -2.780 8.294 1.00 71.06 N ANISOU 375 N ALA A 66 9000 9000 9000 0 0 0 N ATOM 376 CA ALA A 66 -15.730 -1.356 8.571 1.00 71.92 C ANISOU 376 CA ALA A 66 9109 9109 9109 0 0 0 C ATOM 377 C ALA A 66 -14.246 -0.990 8.535 1.00 78.25 C ANISOU 377 C ALA A 66 9911 9911 9911 0 0 0 C ATOM 378 O ALA A 66 -13.848 -0.089 7.791 1.00 77.34 O ANISOU 378 O ALA A 66 9795 9795 9795 0 0 0 O ATOM 379 CB ALA A 66 -16.326 -1.007 9.928 1.00 72.58 C ANISOU 379 CB ALA A 66 9192 9192 9192 0 0 0 C ATOM 380 N HIS A 67 -13.428 -1.733 9.307 1.00 76.68 N ANISOU 380 N HIS A 67 9711 9711 9711 0 0 0 N ATOM 381 CA HIS A 67 -11.988 -1.522 9.412 1.00 76.92 C ANISOU 381 CA HIS A 67 9742 9742 9742 0 0 0 C ATOM 382 C HIS A 67 -11.211 -2.633 8.700 1.00 79.25 C ANISOU 382 C HIS A 67 10037 10037 10037 0 0 0 C ATOM 383 O HIS A 67 -11.509 -3.813 8.924 1.00 78.45 O ANISOU 383 O HIS A 67 9936 9936 9936 0 0 0 O ATOM 384 CB HIS A 67 -11.570 -1.378 10.882 1.00 78.25 C ANISOU 384 CB HIS A 67 9910 9910 9910 0 0 0 C ATOM 385 CG HIS A 67 -12.409 -0.388 11.632 1.00 82.18 C ANISOU 385 CG HIS A 67 10408 10408 10408 0 0 0 C ATOM 386 ND1 HIS A 67 -12.162 0.975 11.553 1.00 84.12 N ANISOU 386 ND1 HIS A 67 10654 10654 10654 0 0 0 N ATOM 387 CD2 HIS A 67 -13.500 -0.591 12.409 1.00 84.40 C ANISOU 387 CD2 HIS A 67 10689 10689 10689 0 0 0 C ATOM 388 CE1 HIS A 67 -13.086 1.551 12.302 1.00 83.79 C ANISOU 388 CE1 HIS A 67 10613 10613 10613 0 0 0 C ATOM 389 NE2 HIS A 67 -13.915 0.650 12.837 1.00 84.25 N ANISOU 389 NE2 HIS A 67 10671 10671 10671 0 0 0 N ATOM 390 N PRO A 68 -10.235 -2.264 7.824 1.00 74.80 N ANISOU 390 N PRO A 68 9474 9474 9474 0 0 0 N ATOM 391 CA PRO A 68 -9.456 -3.281 7.087 1.00 73.61 C ANISOU 391 CA PRO A 68 9323 9323 9323 0 0 0 C ATOM 392 C PRO A 68 -9.041 -4.496 7.909 1.00 73.66 C ANISOU 392 C PRO A 68 9329 9329 9329 0 0 0 C ATOM 393 O PRO A 68 -8.584 -4.362 9.047 1.00 73.59 O ANISOU 393 O PRO A 68 9321 9321 9321 0 0 0 O ATOM 394 CB PRO A 68 -8.251 -2.496 6.569 1.00 75.64 C ANISOU 394 CB PRO A 68 9579 9579 9579 0 0 0 C ATOM 395 CG PRO A 68 -8.775 -1.119 6.377 1.00 80.42 C ANISOU 395 CG PRO A 68 10185 10185 10185 0 0 0 C ATOM 396 CD PRO A 68 -9.805 -0.896 7.457 1.00 76.18 C ANISOU 396 CD PRO A 68 9648 9648 9648 0 0 0 C ATOM 397 N SER A 69 -9.264 -5.688 7.334 1.00 66.24 N ANISOU 397 N SER A 69 8389 8389 8389 0 0 0 N ATOM 398 CA SER A 69 -8.977 -6.981 7.955 1.00 63.40 C ANISOU 398 CA SER A 69 8030 8030 8030 0 0 0 C ATOM 399 C SER A 69 -7.894 -7.742 7.195 1.00 61.92 C ANISOU 399 C SER A 69 7842 7842 7842 0 0 0 C ATOM 400 O SER A 69 -7.590 -7.415 6.045 1.00 61.07 O ANISOU 400 O SER A 69 7735 7735 7735 0 0 0 O ATOM 401 CB SER A 69 -10.251 -7.818 8.043 1.00 65.04 C ANISOU 401 CB SER A 69 8238 8238 8238 0 0 0 C ATOM 402 OG SER A 69 -10.885 -7.900 6.777 1.00 65.87 O ANISOU 402 OG SER A 69 8342 8342 8342 0 0 0 O ATOM 403 N LYS A 70 -7.289 -8.731 7.861 1.00 55.37 N ANISOU 403 N LYS A 70 7013 7013 7013 0 0 0 N ATOM 404 CA LYS A 70 -6.249 -9.581 7.288 1.00 54.16 C ANISOU 404 CA LYS A 70 6859 6859 6859 0 0 0 C ATOM 405 C LYS A 70 -6.927 -10.834 6.695 1.00 54.88 C ANISOU 405 C LYS A 70 6951 6951 6951 0 0 0 C ATOM 406 O LYS A 70 -8.099 -11.096 6.995 1.00 53.29 O ANISOU 406 O LYS A 70 6749 6749 6749 0 0 0 O ATOM 407 CB LYS A 70 -5.228 -9.989 8.366 1.00 57.08 C ANISOU 407 CB LYS A 70 7229 7229 7229 0 0 0 C ATOM 408 CG LYS A 70 -4.389 -8.837 8.934 1.00 77.38 C ANISOU 408 CG LYS A 70 9801 9801 9801 0 0 0 C ATOM 409 CD LYS A 70 -3.489 -9.277 10.100 1.00 88.31 C ANISOU 409 CD LYS A 70 11185 11185 11185 0 0 0 C ATOM 410 CE LYS A 70 -4.185 -9.254 11.446 1.00 99.68 C ANISOU 410 CE LYS A 70 12625 12625 12625 0 0 0 C ATOM 411 NZ LYS A 70 -3.221 -9.390 12.570 1.00110.75 N ANISOU 411 NZ LYS A 70 14027 14027 14027 0 0 0 N ATOM 412 N CYS A 71 -6.183 -11.606 5.869 1.00 49.27 N ANISOU 412 N CYS A 71 6240 6240 6240 0 0 0 N ATOM 413 CA CYS A 71 -6.664 -12.831 5.232 1.00 47.89 C ANISOU 413 CA CYS A 71 6065 6065 6065 0 0 0 C ATOM 414 C CYS A 71 -7.192 -13.867 6.226 1.00 47.07 C ANISOU 414 C CYS A 71 5961 5961 5961 0 0 0 C ATOM 415 O CYS A 71 -6.740 -13.922 7.369 1.00 46.29 O ANISOU 415 O CYS A 71 5862 5862 5862 0 0 0 O ATOM 416 CB CYS A 71 -5.593 -13.420 4.320 1.00 48.79 C ANISOU 416 CB CYS A 71 6179 6179 6179 0 0 0 C ATOM 417 SG CYS A 71 -5.239 -12.425 2.848 1.00 53.21 S ANISOU 417 SG CYS A 71 6739 6739 6739 0 0 0 S ATOM 418 N VAL A 72 -8.209 -14.644 5.803 1.00 40.97 N ANISOU 418 N VAL A 72 5189 5189 5189 0 0 0 N ATOM 419 CA VAL A 72 -8.829 -15.721 6.583 1.00 39.10 C ANISOU 419 CA VAL A 72 4952 4952 4952 0 0 0 C ATOM 420 C VAL A 72 -8.795 -16.900 5.608 1.00 41.60 C ANISOU 420 C VAL A 72 5269 5269 5269 0 0 0 C ATOM 421 O VAL A 72 -9.546 -16.913 4.637 1.00 40.33 O ANISOU 421 O VAL A 72 5108 5108 5108 0 0 0 O ATOM 422 CB VAL A 72 -10.266 -15.365 7.047 1.00 42.23 C ANISOU 422 CB VAL A 72 5348 5348 5348 0 0 0 C ATOM 423 CG1 VAL A 72 -10.956 -16.570 7.669 1.00 41.77 C ANISOU 423 CG1 VAL A 72 5290 5290 5290 0 0 0 C ATOM 424 CG2 VAL A 72 -10.263 -14.191 8.020 1.00 42.02 C ANISOU 424 CG2 VAL A 72 5323 5323 5323 0 0 0 C ATOM 425 N THR A 73 -7.875 -17.849 5.826 1.00 37.30 N ANISOU 425 N THR A 73 4724 4724 4724 0 0 0 N ATOM 426 CA THR A 73 -7.650 -18.923 4.877 1.00 36.17 C ANISOU 426 CA THR A 73 4580 4580 4580 0 0 0 C ATOM 427 C THR A 73 -7.990 -20.306 5.347 1.00 37.60 C ANISOU 427 C THR A 73 4762 4762 4762 0 0 0 C ATOM 428 O THR A 73 -7.894 -20.639 6.529 1.00 37.15 O ANISOU 428 O THR A 73 4705 4705 4705 0 0 0 O ATOM 429 CB THR A 73 -6.186 -18.914 4.349 1.00 41.62 C ANISOU 429 CB THR A 73 5271 5271 5271 0 0 0 C ATOM 430 OG1 THR A 73 -5.302 -19.324 5.389 1.00 42.34 O ANISOU 430 OG1 THR A 73 5362 5362 5362 0 0 0 O ATOM 431 CG2 THR A 73 -5.758 -17.570 3.780 1.00 34.63 C ANISOU 431 CG2 THR A 73 4386 4386 4386 0 0 0 C ATOM 432 N ILE A 74 -8.349 -21.138 4.364 1.00 32.68 N ANISOU 432 N ILE A 74 4139 4139 4139 0 0 0 N ATOM 433 CA ILE A 74 -8.615 -22.556 4.528 1.00 30.83 C ANISOU 433 CA ILE A 74 3905 3905 3905 0 0 0 C ATOM 434 C ILE A 74 -7.816 -23.251 3.418 1.00 34.76 C ANISOU 434 C ILE A 74 4402 4402 4402 0 0 0 C ATOM 435 O ILE A 74 -7.452 -22.604 2.445 1.00 33.97 O ANISOU 435 O ILE A 74 4302 4302 4302 0 0 0 O ATOM 436 CB ILE A 74 -10.149 -22.921 4.556 1.00 32.80 C ANISOU 436 CB ILE A 74 4154 4154 4154 0 0 0 C ATOM 437 CG1 ILE A 74 -10.875 -22.537 3.234 1.00 31.45 C ANISOU 437 CG1 ILE A 74 3983 3983 3983 0 0 0 C ATOM 438 CG2 ILE A 74 -10.834 -22.295 5.797 1.00 33.47 C ANISOU 438 CG2 ILE A 74 4239 4239 4239 0 0 0 C ATOM 439 CD1 ILE A 74 -12.218 -23.086 3.057 1.00 29.34 C ANISOU 439 CD1 ILE A 74 3716 3716 3716 0 0 0 C ATOM 440 N GLN A 75 -7.549 -24.542 3.553 1.00 33.60 N ANISOU 440 N GLN A 75 4256 4256 4256 0 0 0 N ATOM 441 CA GLN A 75 -6.836 -25.290 2.515 1.00 33.57 C ANISOU 441 CA GLN A 75 4252 4252 4252 0 0 0 C ATOM 442 C GLN A 75 -7.745 -25.517 1.317 1.00 36.27 C ANISOU 442 C GLN A 75 4594 4594 4594 0 0 0 C ATOM 443 O GLN A 75 -8.919 -25.863 1.481 1.00 37.06 O ANISOU 443 O GLN A 75 4693 4693 4693 0 0 0 O ATOM 444 CB GLN A 75 -6.341 -26.648 3.046 1.00 35.27 C ANISOU 444 CB GLN A 75 4467 4467 4467 0 0 0 C ATOM 445 CG GLN A 75 -5.117 -26.545 3.960 1.00 58.23 C ANISOU 445 CG GLN A 75 7375 7375 7375 0 0 0 C ATOM 446 CD GLN A 75 -3.881 -26.099 3.214 1.00 79.08 C ANISOU 446 CD GLN A 75 10016 10016 10016 0 0 0 C ATOM 447 OE1 GLN A 75 -3.410 -24.968 3.373 1.00 71.36 O ANISOU 447 OE1 GLN A 75 9037 9037 9037 0 0 0 O ATOM 448 NE2 GLN A 75 -3.349 -26.971 2.360 1.00 76.04 N ANISOU 448 NE2 GLN A 75 9631 9631 9631 0 0 0 N ATOM 449 N ARG A 76 -7.191 -25.323 0.122 1.00 30.34 N ANISOU 449 N ARG A 76 3842 3842 3842 0 0 0 N ATOM 450 CA ARG A 76 -7.841 -25.541 -1.150 1.00 30.58 C ANISOU 450 CA ARG A 76 3873 3873 3873 0 0 0 C ATOM 451 C ARG A 76 -7.937 -27.062 -1.397 1.00 35.65 C ANISOU 451 C ARG A 76 4516 4516 4516 0 0 0 C ATOM 452 O ARG A 76 -7.007 -27.809 -1.071 1.00 34.95 O ANISOU 452 O ARG A 76 4427 4427 4427 0 0 0 O ATOM 453 CB ARG A 76 -6.972 -24.926 -2.258 1.00 30.79 C ANISOU 453 CB ARG A 76 3900 3900 3900 0 0 0 C ATOM 454 CG ARG A 76 -7.594 -24.871 -3.633 1.00 31.99 C ANISOU 454 CG ARG A 76 4051 4051 4051 0 0 0 C ATOM 455 CD ARG A 76 -6.562 -24.501 -4.677 1.00 43.23 C ANISOU 455 CD ARG A 76 5475 5475 5475 0 0 0 C ATOM 456 NE ARG A 76 -6.212 -23.092 -4.531 1.00 56.84 N ANISOU 456 NE ARG A 76 7199 7199 7199 0 0 0 N ATOM 457 CZ ARG A 76 -6.750 -22.100 -5.227 1.00 59.91 C ANISOU 457 CZ ARG A 76 7588 7588 7588 0 0 0 C ATOM 458 NH1 ARG A 76 -7.613 -22.354 -6.202 1.00 43.54 N ANISOU 458 NH1 ARG A 76 5514 5514 5514 0 0 0 N ATOM 459 NH2 ARG A 76 -6.400 -20.852 -4.983 1.00 44.62 N ANISOU 459 NH2 ARG A 76 5652 5652 5652 0 0 0 N ATOM 460 N THR A 77 -9.035 -27.499 -2.015 1.00 33.66 N ANISOU 460 N THR A 77 4263 4263 4263 0 0 0 N ATOM 461 CA THR A 77 -9.181 -28.897 -2.422 1.00 33.89 C ANISOU 461 CA THR A 77 4292 4292 4292 0 0 0 C ATOM 462 C THR A 77 -8.521 -28.987 -3.816 1.00 38.82 C ANISOU 462 C THR A 77 4916 4916 4916 0 0 0 C ATOM 463 O THR A 77 -8.284 -27.946 -4.438 1.00 37.22 O ANISOU 463 O THR A 77 4714 4714 4714 0 0 0 O ATOM 464 CB THR A 77 -10.660 -29.298 -2.440 1.00 35.28 C ANISOU 464 CB THR A 77 4468 4468 4468 0 0 0 C ATOM 465 OG1 THR A 77 -11.338 -28.505 -3.409 1.00 31.48 O ANISOU 465 OG1 THR A 77 3987 3987 3987 0 0 0 O ATOM 466 CG2 THR A 77 -11.327 -29.154 -1.065 1.00 33.09 C ANISOU 466 CG2 THR A 77 4191 4191 4191 0 0 0 C ATOM 467 N LEU A 78 -8.230 -30.201 -4.305 1.00 37.08 N ANISOU 467 N LEU A 78 4696 4696 4696 0 0 0 N ATOM 468 CA LEU A 78 -7.630 -30.399 -5.628 1.00 37.79 C ANISOU 468 CA LEU A 78 4787 4787 4787 0 0 0 C ATOM 469 C LEU A 78 -8.437 -29.776 -6.771 1.00 41.93 C ANISOU 469 C LEU A 78 5310 5310 5310 0 0 0 C ATOM 470 O LEU A 78 -7.857 -29.214 -7.698 1.00 41.93 O ANISOU 470 O LEU A 78 5311 5311 5311 0 0 0 O ATOM 471 CB LEU A 78 -7.399 -31.894 -5.915 1.00 37.99 C ANISOU 471 CB LEU A 78 4812 4812 4812 0 0 0 C ATOM 472 CG LEU A 78 -6.368 -32.645 -5.076 1.00 43.65 C ANISOU 472 CG LEU A 78 5528 5528 5528 0 0 0 C ATOM 473 CD1 LEU A 78 -6.260 -34.094 -5.548 1.00 43.92 C ANISOU 473 CD1 LEU A 78 5563 5563 5563 0 0 0 C ATOM 474 CD2 LEU A 78 -4.972 -31.987 -5.140 1.00 47.08 C ANISOU 474 CD2 LEU A 78 5963 5963 5963 0 0 0 C ATOM 475 N ASP A 79 -9.765 -29.836 -6.696 1.00 39.02 N ANISOU 475 N ASP A 79 4942 4942 4942 0 0 0 N ATOM 476 CA ASP A 79 -10.598 -29.279 -7.759 1.00 38.84 C ANISOU 476 CA ASP A 79 4919 4919 4919 0 0 0 C ATOM 477 C ASP A 79 -11.092 -27.837 -7.451 1.00 40.29 C ANISOU 477 C ASP A 79 5102 5102 5102 0 0 0 C ATOM 478 O ASP A 79 -11.679 -27.183 -8.316 1.00 41.76 O ANISOU 478 O ASP A 79 5288 5288 5288 0 0 0 O ATOM 479 CB ASP A 79 -11.730 -30.273 -8.103 1.00 41.28 C ANISOU 479 CB ASP A 79 5228 5228 5228 0 0 0 C ATOM 480 CG ASP A 79 -13.133 -29.981 -7.617 1.00 51.96 C ANISOU 480 CG ASP A 79 6581 6581 6581 0 0 0 C ATOM 481 OD1 ASP A 79 -13.285 -29.556 -6.455 1.00 54.68 O ANISOU 481 OD1 ASP A 79 6925 6925 6925 0 0 0 O ATOM 482 OD2 ASP A 79 -14.075 -30.251 -8.369 1.00 58.28 O ANISOU 482 OD2 ASP A 79 7381 7381 7381 0 0 0 O ATOM 483 N GLY A 80 -10.808 -27.350 -6.249 1.00 33.25 N ANISOU 483 N GLY A 80 4211 4211 4211 0 0 0 N ATOM 484 CA GLY A 80 -11.171 -25.994 -5.841 1.00 31.60 C ANISOU 484 CA GLY A 80 4002 4002 4002 0 0 0 C ATOM 485 C GLY A 80 -12.512 -25.844 -5.143 1.00 32.66 C ANISOU 485 C GLY A 80 4136 4136 4136 0 0 0 C ATOM 486 O GLY A 80 -12.745 -24.834 -4.487 1.00 31.19 O ANISOU 486 O GLY A 80 3950 3950 3950 0 0 0 O ATOM 487 N ARG A 81 -13.431 -26.810 -5.309 1.00 27.43 N ANISOU 487 N ARG A 81 3474 3474 3474 0 0 0 N ATOM 488 CA ARG A 81 -14.713 -26.685 -4.646 1.00 26.58 C ANISOU 488 CA ARG A 81 3366 3366 3366 0 0 0 C ATOM 489 C ARG A 81 -14.656 -27.270 -3.217 1.00 30.88 C ANISOU 489 C ARG A 81 3911 3911 3911 0 0 0 C ATOM 490 O ARG A 81 -13.957 -28.256 -2.943 1.00 30.22 O ANISOU 490 O ARG A 81 3828 3828 3828 0 0 0 O ATOM 491 CB ARG A 81 -15.857 -27.303 -5.464 1.00 26.55 C ANISOU 491 CB ARG A 81 3362 3362 3362 0 0 0 C ATOM 492 CG ARG A 81 -16.086 -26.625 -6.834 1.00 31.67 C ANISOU 492 CG ARG A 81 4011 4011 4011 0 0 0 C ATOM 493 CD ARG A 81 -17.046 -27.425 -7.702 1.00 35.25 C ANISOU 493 CD ARG A 81 4465 4465 4465 0 0 0 C ATOM 494 NE ARG A 81 -16.541 -28.771 -7.995 1.00 38.08 N ANISOU 494 NE ARG A 81 4824 4824 4824 0 0 0 N ATOM 495 CZ ARG A 81 -17.305 -29.802 -8.346 1.00 42.79 C ANISOU 495 CZ ARG A 81 5420 5420 5420 0 0 0 C ATOM 496 NH1 ARG A 81 -18.618 -29.659 -8.454 1.00 33.45 N ANISOU 496 NH1 ARG A 81 4236 4236 4236 0 0 0 N ATOM 497 NH2 ARG A 81 -16.762 -30.988 -8.568 1.00 36.29 N ANISOU 497 NH2 ARG A 81 4596 4596 4596 0 0 0 N ATOM 498 N LEU A 82 -15.425 -26.651 -2.331 1.00 25.43 N ANISOU 498 N LEU A 82 3221 3221 3221 0 0 0 N ATOM 499 CA LEU A 82 -15.623 -27.052 -0.952 1.00 25.19 C ANISOU 499 CA LEU A 82 3190 3190 3190 0 0 0 C ATOM 500 C LEU A 82 -17.036 -27.682 -0.885 1.00 29.11 C ANISOU 500 C LEU A 82 3686 3686 3686 0 0 0 C ATOM 501 O LEU A 82 -17.988 -27.115 -1.432 1.00 28.83 O ANISOU 501 O LEU A 82 3652 3652 3652 0 0 0 O ATOM 502 CB LEU A 82 -15.548 -25.796 -0.044 1.00 24.60 C ANISOU 502 CB LEU A 82 3116 3116 3116 0 0 0 C ATOM 503 CG LEU A 82 -16.093 -25.907 1.422 1.00 30.04 C ANISOU 503 CG LEU A 82 3805 3805 3805 0 0 0 C ATOM 504 CD1 LEU A 82 -15.274 -26.845 2.246 1.00 29.70 C ANISOU 504 CD1 LEU A 82 3762 3762 3762 0 0 0 C ATOM 505 CD2 LEU A 82 -16.132 -24.530 2.104 1.00 31.07 C ANISOU 505 CD2 LEU A 82 3935 3935 3935 0 0 0 C ATOM 506 N GLN A 83 -17.172 -28.823 -0.202 1.00 25.64 N ANISOU 506 N GLN A 83 3248 3248 3248 0 0 0 N ATOM 507 CA GLN A 83 -18.481 -29.441 -0.005 1.00 25.48 C ANISOU 507 CA GLN A 83 3227 3227 3227 0 0 0 C ATOM 508 C GLN A 83 -19.012 -29.124 1.393 1.00 27.91 C ANISOU 508 C GLN A 83 3535 3535 3535 0 0 0 C ATOM 509 O GLN A 83 -18.312 -29.318 2.385 1.00 26.63 O ANISOU 509 O GLN A 83 3373 3373 3373 0 0 0 O ATOM 510 CB GLN A 83 -18.475 -30.966 -0.240 1.00 26.99 C ANISOU 510 CB GLN A 83 3418 3418 3418 0 0 0 C ATOM 511 CG GLN A 83 -19.883 -31.594 -0.049 1.00 25.20 C ANISOU 511 CG GLN A 83 3192 3192 3192 0 0 0 C ATOM 512 CD GLN A 83 -19.947 -33.061 -0.356 1.00 31.45 C ANISOU 512 CD GLN A 83 3983 3983 3983 0 0 0 C ATOM 513 OE1 GLN A 83 -20.456 -33.865 0.429 1.00 32.32 O ANISOU 513 OE1 GLN A 83 4094 4094 4094 0 0 0 O ATOM 514 NE2 GLN A 83 -19.398 -33.449 -1.481 1.00 21.57 N ANISOU 514 NE2 GLN A 83 2732 2732 2732 0 0 0 N ATOM 515 N VAL A 84 -20.252 -28.633 1.456 1.00 25.00 N ANISOU 515 N VAL A 84 3167 3167 3167 0 0 0 N ATOM 516 CA VAL A 84 -20.958 -28.342 2.706 1.00 25.67 C ANISOU 516 CA VAL A 84 3251 3251 3251 0 0 0 C ATOM 517 C VAL A 84 -22.359 -28.949 2.552 1.00 31.39 C ANISOU 517 C VAL A 84 3976 3976 3976 0 0 0 C ATOM 518 O VAL A 84 -23.095 -28.572 1.629 1.00 30.50 O ANISOU 518 O VAL A 84 3862 3862 3862 0 0 0 O ATOM 519 CB VAL A 84 -21.063 -26.814 3.020 1.00 29.45 C ANISOU 519 CB VAL A 84 3729 3729 3729 0 0 0 C ATOM 520 CG1 VAL A 84 -21.897 -26.584 4.271 1.00 28.71 C ANISOU 520 CG1 VAL A 84 3636 3636 3636 0 0 0 C ATOM 521 CG2 VAL A 84 -19.689 -26.151 3.166 1.00 29.39 C ANISOU 521 CG2 VAL A 84 3723 3723 3723 0 0 0 C ATOM 522 N ALA A 85 -22.725 -29.877 3.457 1.00 29.12 N ANISOU 522 N ALA A 85 3688 3688 3688 0 0 0 N ATOM 523 CA ALA A 85 -24.042 -30.527 3.506 1.00 29.48 C ANISOU 523 CA ALA A 85 3733 3733 3733 0 0 0 C ATOM 524 C ALA A 85 -24.495 -31.045 2.142 1.00 31.07 C ANISOU 524 C ALA A 85 3936 3936 3936 0 0 0 C ATOM 525 O ALA A 85 -25.611 -30.767 1.698 1.00 31.33 O ANISOU 525 O ALA A 85 3968 3968 3968 0 0 0 O ATOM 526 CB ALA A 85 -25.086 -29.572 4.104 1.00 30.50 C ANISOU 526 CB ALA A 85 3863 3863 3863 0 0 0 C ATOM 527 N GLY A 86 -23.594 -31.751 1.474 1.00 27.01 N ANISOU 527 N GLY A 86 3421 3421 3421 0 0 0 N ATOM 528 CA GLY A 86 -23.825 -32.381 0.177 1.00 26.66 C ANISOU 528 CA GLY A 86 3376 3376 3376 0 0 0 C ATOM 529 C GLY A 86 -23.672 -31.482 -1.033 1.00 32.14 C ANISOU 529 C GLY A 86 4071 4071 4071 0 0 0 C ATOM 530 O GLY A 86 -23.753 -31.961 -2.162 1.00 32.86 O ANISOU 530 O GLY A 86 4162 4162 4162 0 0 0 O ATOM 531 N ARG A 87 -23.425 -30.184 -0.832 1.00 29.43 N ANISOU 531 N ARG A 87 3727 3727 3727 0 0 0 N ATOM 532 CA ARG A 87 -23.324 -29.271 -1.969 1.00 29.84 C ANISOU 532 CA ARG A 87 3780 3780 3780 0 0 0 C ATOM 533 C ARG A 87 -21.908 -28.742 -2.150 1.00 32.23 C ANISOU 533 C ARG A 87 4082 4082 4082 0 0 0 C ATOM 534 O ARG A 87 -21.263 -28.368 -1.176 1.00 31.16 O ANISOU 534 O ARG A 87 3947 3947 3947 0 0 0 O ATOM 535 CB ARG A 87 -24.267 -28.066 -1.802 1.00 32.40 C ANISOU 535 CB ARG A 87 4103 4103 4103 0 0 0 C ATOM 536 CG ARG A 87 -25.593 -28.308 -1.077 1.00 36.56 C ANISOU 536 CG ARG A 87 4630 4630 4630 0 0 0 C ATOM 537 CD ARG A 87 -26.305 -26.970 -1.016 1.00 42.85 C ANISOU 537 CD ARG A 87 5427 5427 5427 0 0 0 C ATOM 538 NE ARG A 87 -27.432 -26.990 -0.092 1.00 51.75 N ANISOU 538 NE ARG A 87 6555 6555 6555 0 0 0 N ATOM 539 CZ ARG A 87 -28.181 -25.932 0.186 1.00 60.13 C ANISOU 539 CZ ARG A 87 7615 7615 7615 0 0 0 C ATOM 540 NH1 ARG A 87 -27.918 -24.756 -0.372 1.00 47.66 N ANISOU 540 NH1 ARG A 87 6036 6036 6036 0 0 0 N ATOM 541 NH2 ARG A 87 -29.191 -26.036 1.035 1.00 42.76 N ANISOU 541 NH2 ARG A 87 5416 5416 5416 0 0 0 N ATOM 542 N LYS A 88 -21.448 -28.675 -3.393 1.00 29.22 N ANISOU 542 N LYS A 88 3701 3701 3701 0 0 0 N ATOM 543 CA LYS A 88 -20.110 -28.168 -3.710 1.00 29.53 C ANISOU 543 CA LYS A 88 3740 3740 3740 0 0 0 C ATOM 544 C LYS A 88 -20.175 -26.770 -4.324 1.00 33.22 C ANISOU 544 C LYS A 88 4207 4207 4207 0 0 0 C ATOM 545 O LYS A 88 -20.990 -26.517 -5.192 1.00 31.55 O ANISOU 545 O LYS A 88 3995 3995 3995 0 0 0 O ATOM 546 CB LYS A 88 -19.363 -29.110 -4.675 1.00 31.12 C ANISOU 546 CB LYS A 88 3941 3941 3941 0 0 0 C ATOM 547 CG LYS A 88 -18.972 -30.465 -4.065 1.00 30.35 C ANISOU 547 CG LYS A 88 3843 3843 3843 0 0 0 C ATOM 548 CD LYS A 88 -18.169 -31.279 -5.060 1.00 31.50 C ANISOU 548 CD LYS A 88 3990 3990 3990 0 0 0 C ATOM 549 CE LYS A 88 -17.726 -32.611 -4.495 1.00 34.05 C ANISOU 549 CE LYS A 88 4312 4312 4312 0 0 0 C ATOM 550 NZ LYS A 88 -17.476 -33.596 -5.583 1.00 34.53 N ANISOU 550 NZ LYS A 88 4374 4374 4374 0 0 0 N ATOM 551 N GLY A 89 -19.275 -25.902 -3.885 1.00 31.49 N ANISOU 551 N GLY A 89 3988 3988 3988 0 0 0 N ATOM 552 CA GLY A 89 -19.121 -24.557 -4.411 1.00 30.85 C ANISOU 552 CA GLY A 89 3907 3907 3907 0 0 0 C ATOM 553 C GLY A 89 -17.730 -24.028 -4.125 1.00 34.08 C ANISOU 553 C GLY A 89 4316 4316 4316 0 0 0 C ATOM 554 O GLY A 89 -17.016 -24.573 -3.273 1.00 32.99 O ANISOU 554 O GLY A 89 4178 4178 4178 0 0 0 O ATOM 555 N PHE A 90 -17.332 -22.946 -4.809 1.00 29.63 N ANISOU 555 N PHE A 90 3752 3752 3752 0 0 0 N ATOM 556 CA PHE A 90 -16.028 -22.353 -4.521 1.00 29.62 C ANISOU 556 CA PHE A 90 3751 3751 3751 0 0 0 C ATOM 557 C PHE A 90 -16.101 -21.741 -3.117 1.00 29.27 C ANISOU 557 C PHE A 90 3707 3707 3707 0 0 0 C ATOM 558 O PHE A 90 -17.137 -21.167 -2.785 1.00 29.21 O ANISOU 558 O PHE A 90 3699 3699 3699 0 0 0 O ATOM 559 CB PHE A 90 -15.581 -21.379 -5.627 1.00 32.34 C ANISOU 559 CB PHE A 90 4096 4096 4096 0 0 0 C ATOM 560 CG PHE A 90 -15.260 -22.084 -6.931 1.00 34.39 C ANISOU 560 CG PHE A 90 4356 4356 4356 0 0 0 C ATOM 561 CD1 PHE A 90 -14.323 -23.110 -6.975 1.00 37.20 C ANISOU 561 CD1 PHE A 90 4711 4711 4711 0 0 0 C ATOM 562 CD2 PHE A 90 -15.888 -21.713 -8.115 1.00 38.36 C ANISOU 562 CD2 PHE A 90 4858 4858 4858 0 0 0 C ATOM 563 CE1 PHE A 90 -14.034 -23.774 -8.173 1.00 38.64 C ANISOU 563 CE1 PHE A 90 4894 4894 4894 0 0 0 C ATOM 564 CE2 PHE A 90 -15.595 -22.372 -9.320 1.00 41.60 C ANISOU 564 CE2 PHE A 90 5269 5269 5269 0 0 0 C ATOM 565 CZ PHE A 90 -14.676 -23.406 -9.337 1.00 39.20 C ANISOU 565 CZ PHE A 90 4965 4965 4965 0 0 0 C ATOM 566 N PRO A 91 -15.110 -22.016 -2.232 1.00 26.77 N ANISOU 566 N PRO A 91 3390 3390 3390 0 0 0 N ATOM 567 CA PRO A 91 -15.213 -21.590 -0.821 1.00 26.62 C ANISOU 567 CA PRO A 91 3371 3371 3371 0 0 0 C ATOM 568 C PRO A 91 -15.299 -20.086 -0.600 1.00 30.54 C ANISOU 568 C PRO A 91 3868 3868 3868 0 0 0 C ATOM 569 O PRO A 91 -16.071 -19.654 0.246 1.00 31.40 O ANISOU 569 O PRO A 91 3977 3977 3977 0 0 0 O ATOM 570 CB PRO A 91 -13.968 -22.206 -0.169 1.00 28.71 C ANISOU 570 CB PRO A 91 3637 3637 3637 0 0 0 C ATOM 571 CG PRO A 91 -12.988 -22.349 -1.304 1.00 34.06 C ANISOU 571 CG PRO A 91 4313 4313 4313 0 0 0 C ATOM 572 CD PRO A 91 -13.851 -22.752 -2.469 1.00 29.83 C ANISOU 572 CD PRO A 91 3778 3778 3778 0 0 0 C ATOM 573 N HIS A 92 -14.601 -19.288 -1.405 1.00 27.60 N ANISOU 573 N HIS A 92 3495 3495 3495 0 0 0 N ATOM 574 CA HIS A 92 -14.698 -17.831 -1.267 1.00 26.93 C ANISOU 574 CA HIS A 92 3410 3410 3410 0 0 0 C ATOM 575 C HIS A 92 -16.116 -17.349 -1.660 1.00 30.78 C ANISOU 575 C HIS A 92 3898 3898 3898 0 0 0 C ATOM 576 O HIS A 92 -16.640 -16.450 -1.029 1.00 31.23 O ANISOU 576 O HIS A 92 3955 3955 3955 0 0 0 O ATOM 577 CB HIS A 92 -13.581 -17.131 -2.077 1.00 26.85 C ANISOU 577 CB HIS A 92 3401 3401 3401 0 0 0 C ATOM 578 CG HIS A 92 -13.643 -17.327 -3.569 1.00 29.06 C ANISOU 578 CG HIS A 92 3680 3680 3680 0 0 0 C ATOM 579 ND1 HIS A 92 -13.612 -18.594 -4.149 1.00 30.07 N ANISOU 579 ND1 HIS A 92 3808 3808 3808 0 0 0 N ATOM 580 CD2 HIS A 92 -13.677 -16.400 -4.551 1.00 29.75 C ANISOU 580 CD2 HIS A 92 3767 3767 3767 0 0 0 C ATOM 581 CE1 HIS A 92 -13.687 -18.388 -5.452 1.00 28.86 C ANISOU 581 CE1 HIS A 92 3655 3655 3655 0 0 0 C ATOM 582 NE2 HIS A 92 -13.686 -17.082 -5.740 1.00 29.41 N ANISOU 582 NE2 HIS A 92 3725 3725 3725 0 0 0 N ATOM 583 N VAL A 93 -16.747 -18.016 -2.640 1.00 28.83 N ANISOU 583 N VAL A 93 3651 3651 3651 0 0 0 N ATOM 584 CA VAL A 93 -18.096 -17.726 -3.131 1.00 28.74 C ANISOU 584 CA VAL A 93 3640 3640 3640 0 0 0 C ATOM 585 C VAL A 93 -19.129 -18.085 -2.060 1.00 29.42 C ANISOU 585 C VAL A 93 3727 3727 3727 0 0 0 C ATOM 586 O VAL A 93 -19.998 -17.266 -1.751 1.00 26.71 O ANISOU 586 O VAL A 93 3383 3383 3383 0 0 0 O ATOM 587 CB VAL A 93 -18.363 -18.404 -4.508 1.00 32.37 C ANISOU 587 CB VAL A 93 4100 4100 4100 0 0 0 C ATOM 588 CG1 VAL A 93 -19.819 -18.241 -4.954 1.00 31.54 C ANISOU 588 CG1 VAL A 93 3995 3995 3995 0 0 0 C ATOM 589 CG2 VAL A 93 -17.413 -17.867 -5.570 1.00 31.91 C ANISOU 589 CG2 VAL A 93 4041 4041 4041 0 0 0 C ATOM 590 N ILE A 94 -18.985 -19.277 -1.441 1.00 26.53 N ANISOU 590 N ILE A 94 3360 3360 3360 0 0 0 N ATOM 591 CA ILE A 94 -19.872 -19.728 -0.371 1.00 25.38 C ANISOU 591 CA ILE A 94 3215 3215 3215 0 0 0 C ATOM 592 C ILE A 94 -19.927 -18.704 0.773 1.00 30.79 C ANISOU 592 C ILE A 94 3899 3899 3899 0 0 0 C ATOM 593 O ILE A 94 -21.013 -18.324 1.199 1.00 29.33 O ANISOU 593 O ILE A 94 3715 3715 3715 0 0 0 O ATOM 594 CB ILE A 94 -19.471 -21.150 0.131 1.00 27.78 C ANISOU 594 CB ILE A 94 3518 3518 3518 0 0 0 C ATOM 595 CG1 ILE A 94 -19.767 -22.232 -0.961 1.00 27.35 C ANISOU 595 CG1 ILE A 94 3464 3464 3464 0 0 0 C ATOM 596 CG2 ILE A 94 -20.175 -21.487 1.443 1.00 29.86 C ANISOU 596 CG2 ILE A 94 3782 3782 3782 0 0 0 C ATOM 597 CD1 ILE A 94 -19.093 -23.651 -0.665 1.00 28.02 C ANISOU 597 CD1 ILE A 94 3548 3548 3548 0 0 0 C ATOM 598 N TYR A 95 -18.763 -18.242 1.248 1.00 27.87 N ANISOU 598 N TYR A 95 3530 3530 3530 0 0 0 N ATOM 599 CA TYR A 95 -18.729 -17.317 2.371 1.00 27.85 C ANISOU 599 CA TYR A 95 3527 3527 3527 0 0 0 C ATOM 600 C TYR A 95 -19.043 -15.865 1.966 1.00 31.11 C ANISOU 600 C TYR A 95 3940 3940 3940 0 0 0 C ATOM 601 O TYR A 95 -19.570 -15.140 2.793 1.00 31.51 O ANISOU 601 O TYR A 95 3991 3991 3991 0 0 0 O ATOM 602 CB TYR A 95 -17.412 -17.470 3.178 1.00 28.72 C ANISOU 602 CB TYR A 95 3637 3637 3637 0 0 0 C ATOM 603 CG TYR A 95 -17.326 -18.869 3.762 1.00 27.25 C ANISOU 603 CG TYR A 95 3451 3451 3451 0 0 0 C ATOM 604 CD1 TYR A 95 -18.156 -19.259 4.809 1.00 29.13 C ANISOU 604 CD1 TYR A 95 3689 3689 3689 0 0 0 C ATOM 605 CD2 TYR A 95 -16.526 -19.843 3.171 1.00 27.28 C ANISOU 605 CD2 TYR A 95 3455 3455 3455 0 0 0 C ATOM 606 CE1 TYR A 95 -18.167 -20.570 5.274 1.00 30.24 C ANISOU 606 CE1 TYR A 95 3830 3830 3830 0 0 0 C ATOM 607 CE2 TYR A 95 -16.508 -21.154 3.646 1.00 26.41 C ANISOU 607 CE2 TYR A 95 3344 3344 3344 0 0 0 C ATOM 608 CZ TYR A 95 -17.323 -21.511 4.703 1.00 30.83 C ANISOU 608 CZ TYR A 95 3905 3905 3905 0 0 0 C ATOM 609 OH TYR A 95 -17.311 -22.799 5.188 1.00 28.60 O ANISOU 609 OH TYR A 95 3622 3622 3622 0 0 0 O ATOM 610 N ALA A 96 -18.826 -15.467 0.709 1.00 30.27 N ANISOU 610 N ALA A 96 3834 3834 3834 0 0 0 N ATOM 611 CA ALA A 96 -19.202 -14.114 0.266 1.00 30.34 C ANISOU 611 CA ALA A 96 3843 3843 3843 0 0 0 C ATOM 612 C ALA A 96 -20.742 -14.059 0.089 1.00 37.15 C ANISOU 612 C ALA A 96 4705 4705 4705 0 0 0 C ATOM 613 O ALA A 96 -21.362 -13.078 0.496 1.00 36.64 O ANISOU 613 O ALA A 96 4640 4640 4640 0 0 0 O ATOM 614 CB ALA A 96 -18.502 -13.763 -1.040 1.00 30.66 C ANISOU 614 CB ALA A 96 3883 3883 3883 0 0 0 C ATOM 615 N ARG A 97 -21.355 -15.155 -0.430 1.00 34.34 N ANISOU 615 N ARG A 97 4349 4349 4349 0 0 0 N ATOM 616 CA ARG A 97 -22.810 -15.289 -0.606 1.00 33.89 C ANISOU 616 CA ARG A 97 4292 4292 4292 0 0 0 C ATOM 617 C ARG A 97 -23.502 -15.217 0.747 1.00 35.76 C ANISOU 617 C ARG A 97 4529 4529 4529 0 0 0 C ATOM 618 O ARG A 97 -24.461 -14.462 0.933 1.00 34.26 O ANISOU 618 O ARG A 97 4339 4339 4339 0 0 0 O ATOM 619 CB ARG A 97 -23.127 -16.595 -1.348 1.00 35.47 C ANISOU 619 CB ARG A 97 4492 4492 4492 0 0 0 C ATOM 620 CG ARG A 97 -24.503 -16.699 -1.972 1.00 49.22 C ANISOU 620 CG ARG A 97 6234 6234 6234 0 0 0 C ATOM 621 CD ARG A 97 -24.501 -17.440 -3.304 1.00 56.82 C ANISOU 621 CD ARG A 97 7196 7196 7196 0 0 0 C ATOM 622 NE ARG A 97 -23.847 -18.749 -3.250 1.00 60.86 N ANISOU 622 NE ARG A 97 7708 7708 7708 0 0 0 N ATOM 623 CZ ARG A 97 -23.271 -19.350 -4.291 1.00 72.47 C ANISOU 623 CZ ARG A 97 9179 9179 9179 0 0 0 C ATOM 624 NH1 ARG A 97 -23.258 -18.764 -5.484 1.00 48.24 N ANISOU 624 NH1 ARG A 97 6110 6110 6110 0 0 0 N ATOM 625 NH2 ARG A 97 -22.694 -20.537 -4.144 1.00 63.33 N ANISOU 625 NH2 ARG A 97 8021 8021 8021 0 0 0 N ATOM 626 N LEU A 98 -22.945 -15.945 1.711 1.00 31.87 N ANISOU 626 N LEU A 98 4037 4037 4037 0 0 0 N ATOM 627 CA LEU A 98 -23.415 -16.050 3.083 1.00 32.42 C ANISOU 627 CA LEU A 98 4106 4106 4106 0 0 0 C ATOM 628 C LEU A 98 -23.385 -14.726 3.870 1.00 37.10 C ANISOU 628 C LEU A 98 4698 4698 4698 0 0 0 C ATOM 629 O LEU A 98 -24.348 -14.429 4.570 1.00 35.46 O ANISOU 629 O LEU A 98 4491 4491 4491 0 0 0 O ATOM 630 CB LEU A 98 -22.553 -17.112 3.783 1.00 32.86 C ANISOU 630 CB LEU A 98 4162 4162 4162 0 0 0 C ATOM 631 CG LEU A 98 -22.712 -17.337 5.269 1.00 38.60 C ANISOU 631 CG LEU A 98 4889 4889 4889 0 0 0 C ATOM 632 CD1 LEU A 98 -24.045 -17.976 5.574 1.00 38.78 C ANISOU 632 CD1 LEU A 98 4912 4912 4912 0 0 0 C ATOM 633 CD2 LEU A 98 -21.600 -18.246 5.772 1.00 42.37 C ANISOU 633 CD2 LEU A 98 5366 5366 5366 0 0 0 C ATOM 634 N TRP A 99 -22.302 -13.939 3.768 1.00 35.06 N ANISOU 634 N TRP A 99 4440 4440 4440 0 0 0 N ATOM 635 CA TRP A 99 -22.221 -12.726 4.572 1.00 35.12 C ANISOU 635 CA TRP A 99 4448 4448 4448 0 0 0 C ATOM 636 C TRP A 99 -22.392 -11.395 3.814 1.00 40.03 C ANISOU 636 C TRP A 99 5070 5070 5070 0 0 0 C ATOM 637 O TRP A 99 -22.544 -10.366 4.472 1.00 41.25 O ANISOU 637 O TRP A 99 5224 5224 5224 0 0 0 O ATOM 638 CB TRP A 99 -20.909 -12.715 5.381 1.00 33.50 C ANISOU 638 CB TRP A 99 4243 4243 4243 0 0 0 C ATOM 639 CG TRP A 99 -20.918 -13.629 6.580 1.00 34.07 C ANISOU 639 CG TRP A 99 4315 4315 4315 0 0 0 C ATOM 640 CD1 TRP A 99 -21.822 -13.637 7.602 1.00 36.65 C ANISOU 640 CD1 TRP A 99 4642 4642 4642 0 0 0 C ATOM 641 CD2 TRP A 99 -19.955 -14.650 6.888 1.00 33.74 C ANISOU 641 CD2 TRP A 99 4274 4274 4274 0 0 0 C ATOM 642 NE1 TRP A 99 -21.506 -14.624 8.504 1.00 36.10 N ANISOU 642 NE1 TRP A 99 4572 4572 4572 0 0 0 N ATOM 643 CE2 TRP A 99 -20.362 -15.259 8.094 1.00 37.15 C ANISOU 643 CE2 TRP A 99 4705 4705 4705 0 0 0 C ATOM 644 CE3 TRP A 99 -18.817 -15.153 6.223 1.00 34.84 C ANISOU 644 CE3 TRP A 99 4412 4412 4412 0 0 0 C ATOM 645 CZ2 TRP A 99 -19.650 -16.319 8.679 1.00 36.52 C ANISOU 645 CZ2 TRP A 99 4625 4625 4625 0 0 0 C ATOM 646 CZ3 TRP A 99 -18.107 -16.194 6.809 1.00 35.72 C ANISOU 646 CZ3 TRP A 99 4524 4524 4524 0 0 0 C ATOM 647 CH2 TRP A 99 -18.521 -16.763 8.023 1.00 36.22 C ANISOU 647 CH2 TRP A 99 4588 4588 4588 0 0 0 C ATOM 648 N ARG A 100 -22.372 -11.385 2.478 1.00 37.49 N ANISOU 648 N ARG A 100 4748 4748 4748 0 0 0 N ATOM 649 CA ARG A 100 -22.448 -10.109 1.752 1.00 38.35 C ANISOU 649 CA ARG A 100 4857 4857 4857 0 0 0 C ATOM 650 C ARG A 100 -23.477 -10.054 0.620 1.00 44.35 C ANISOU 650 C ARG A 100 5617 5617 5617 0 0 0 C ATOM 651 O ARG A 100 -24.304 -9.140 0.607 1.00 43.01 O ANISOU 651 O ARG A 100 5447 5447 5447 0 0 0 O ATOM 652 CB ARG A 100 -21.057 -9.685 1.210 1.00 37.39 C ANISOU 652 CB ARG A 100 4736 4736 4736 0 0 0 C ATOM 653 CG ARG A 100 -19.998 -9.407 2.285 1.00 41.60 C ANISOU 653 CG ARG A 100 5269 5269 5269 0 0 0 C ATOM 654 CD ARG A 100 -18.748 -8.800 1.688 1.00 47.23 C ANISOU 654 CD ARG A 100 5982 5982 5982 0 0 0 C ATOM 655 NE ARG A 100 -18.911 -7.377 1.385 1.00 52.21 N ANISOU 655 NE ARG A 100 6613 6613 6613 0 0 0 N ATOM 656 CZ ARG A 100 -17.991 -6.625 0.792 1.00 63.30 C ANISOU 656 CZ ARG A 100 8017 8017 8017 0 0 0 C ATOM 657 NH1 ARG A 100 -16.832 -7.156 0.415 1.00 43.50 N ANISOU 657 NH1 ARG A 100 5509 5509 5509 0 0 0 N ATOM 658 NH2 ARG A 100 -18.222 -5.339 0.564 1.00 53.72 N ANISOU 658 NH2 ARG A 100 6804 6804 6804 0 0 0 N ATOM 659 N TRP A 101 -23.393 -10.988 -0.349 1.00 42.66 N ANISOU 659 N TRP A 101 5403 5403 5403 0 0 0 N ATOM 660 CA TRP A 101 -24.234 -11.023 -1.546 1.00 43.37 C ANISOU 660 CA TRP A 101 5493 5493 5493 0 0 0 C ATOM 661 C TRP A 101 -25.006 -12.348 -1.645 1.00 46.17 C ANISOU 661 C TRP A 101 5848 5848 5848 0 0 0 C ATOM 662 O TRP A 101 -24.503 -13.299 -2.243 1.00 44.03 O ANISOU 662 O TRP A 101 5577 5577 5577 0 0 0 O ATOM 663 CB TRP A 101 -23.370 -10.781 -2.797 1.00 43.55 C ANISOU 663 CB TRP A 101 5516 5516 5516 0 0 0 C ATOM 664 CG TRP A 101 -22.560 -9.513 -2.728 1.00 45.95 C ANISOU 664 CG TRP A 101 5819 5819 5819 0 0 0 C ATOM 665 CD1 TRP A 101 -23.027 -8.234 -2.840 1.00 48.91 C ANISOU 665 CD1 TRP A 101 6195 6195 6195 0 0 0 C ATOM 666 CD2 TRP A 101 -21.151 -9.407 -2.477 1.00 46.19 C ANISOU 666 CD2 TRP A 101 5850 5850 5850 0 0 0 C ATOM 667 NE1 TRP A 101 -21.994 -7.340 -2.706 1.00 48.79 N ANISOU 667 NE1 TRP A 101 6179 6179 6179 0 0 0 N ATOM 668 CE2 TRP A 101 -20.831 -8.029 -2.469 1.00 50.26 C ANISOU 668 CE2 TRP A 101 6365 6365 6365 0 0 0 C ATOM 669 CE3 TRP A 101 -20.122 -10.344 -2.257 1.00 47.50 C ANISOU 669 CE3 TRP A 101 6016 6016 6016 0 0 0 C ATOM 670 CZ2 TRP A 101 -19.527 -7.565 -2.262 1.00 49.27 C ANISOU 670 CZ2 TRP A 101 6240 6240 6240 0 0 0 C ATOM 671 CZ3 TRP A 101 -18.837 -9.881 -2.021 1.00 48.82 C ANISOU 671 CZ3 TRP A 101 6183 6183 6183 0 0 0 C ATOM 672 CH2 TRP A 101 -18.542 -8.511 -2.060 1.00 49.57 C ANISOU 672 CH2 TRP A 101 6278 6278 6278 0 0 0 C ATOM 673 N PRO A 102 -26.246 -12.404 -1.096 1.00 43.48 N ANISOU 673 N PRO A 102 5507 5507 5507 0 0 0 N ATOM 674 CA PRO A 102 -27.018 -13.664 -1.105 1.00 43.16 C ANISOU 674 CA PRO A 102 5466 5466 5466 0 0 0 C ATOM 675 C PRO A 102 -27.381 -14.224 -2.484 1.00 48.22 C ANISOU 675 C PRO A 102 6107 6107 6107 0 0 0 C ATOM 676 O PRO A 102 -27.538 -15.437 -2.627 1.00 46.04 O ANISOU 676 O PRO A 102 5832 5832 5832 0 0 0 O ATOM 677 CB PRO A 102 -28.257 -13.326 -0.275 1.00 44.47 C ANISOU 677 CB PRO A 102 5632 5632 5632 0 0 0 C ATOM 678 CG PRO A 102 -28.376 -11.849 -0.336 1.00 49.33 C ANISOU 678 CG PRO A 102 6248 6248 6248 0 0 0 C ATOM 679 CD PRO A 102 -26.967 -11.345 -0.359 1.00 45.04 C ANISOU 679 CD PRO A 102 5705 5705 5705 0 0 0 C ATOM 680 N ASP A 103 -27.453 -13.349 -3.493 1.00 47.12 N ANISOU 680 N ASP A 103 5967 5967 5967 0 0 0 N ATOM 681 CA ASP A 103 -27.783 -13.662 -4.888 1.00 48.18 C ANISOU 681 CA ASP A 103 6101 6101 6101 0 0 0 C ATOM 682 C ASP A 103 -26.532 -13.819 -5.764 1.00 53.74 C ANISOU 682 C ASP A 103 6806 6806 6806 0 0 0 C ATOM 683 O ASP A 103 -26.665 -13.944 -6.986 1.00 54.36 O ANISOU 683 O ASP A 103 6885 6885 6885 0 0 0 O ATOM 684 CB ASP A 103 -28.682 -12.540 -5.466 1.00 50.28 C ANISOU 684 CB ASP A 103 6368 6368 6368 0 0 0 C ATOM 685 CG ASP A 103 -28.048 -11.146 -5.458 1.00 61.71 C ANISOU 685 CG ASP A 103 7816 7816 7816 0 0 0 C ATOM 686 OD1 ASP A 103 -28.214 -10.411 -6.463 1.00 65.66 O ANISOU 686 OD1 ASP A 103 8316 8316 8316 0 0 0 O ATOM 687 OD2 ASP A 103 -27.384 -10.788 -4.442 1.00 60.37 O ANISOU 687 OD2 ASP A 103 7646 7646 7646 0 0 0 O ATOM 688 N LEU A 104 -25.331 -13.798 -5.155 1.00 50.51 N ANISOU 688 N LEU A 104 6397 6397 6397 0 0 0 N ATOM 689 CA LEU A 104 -24.049 -13.905 -5.858 1.00 51.14 C ANISOU 689 CA LEU A 104 6476 6476 6476 0 0 0 C ATOM 690 C LEU A 104 -23.973 -15.105 -6.791 1.00 59.97 C ANISOU 690 C LEU A 104 7596 7596 7596 0 0 0 C ATOM 691 O LEU A 104 -24.368 -16.209 -6.416 1.00 59.59 O ANISOU 691 O LEU A 104 7547 7547 7547 0 0 0 O ATOM 692 CB LEU A 104 -22.878 -13.928 -4.852 1.00 50.46 C ANISOU 692 CB LEU A 104 6391 6391 6391 0 0 0 C ATOM 693 CG LEU A 104 -21.447 -13.828 -5.399 1.00 52.94 C ANISOU 693 CG LEU A 104 6705 6705 6705 0 0 0 C ATOM 694 CD1 LEU A 104 -21.129 -12.408 -5.891 1.00 52.08 C ANISOU 694 CD1 LEU A 104 6596 6596 6596 0 0 0 C ATOM 695 CD2 LEU A 104 -20.454 -14.275 -4.352 1.00 51.72 C ANISOU 695 CD2 LEU A 104 6551 6551 6551 0 0 0 C ATOM 696 N HIS A 105 -23.496 -14.863 -8.020 1.00 61.27 N ANISOU 696 N HIS A 105 7760 7760 7760 0 0 0 N ATOM 697 CA HIS A 105 -23.312 -15.884 -9.051 1.00 63.53 C ANISOU 697 CA HIS A 105 8046 8046 8046 0 0 0 C ATOM 698 C HIS A 105 -21.825 -16.046 -9.352 1.00 67.17 C ANISOU 698 C HIS A 105 8507 8507 8507 0 0 0 C ATOM 699 O HIS A 105 -20.994 -15.323 -8.787 1.00 66.18 O ANISOU 699 O HIS A 105 8382 8382 8382 0 0 0 O ATOM 700 CB HIS A 105 -24.072 -15.513 -10.340 1.00 65.80 C ANISOU 700 CB HIS A 105 8333 8333 8333 0 0 0 C ATOM 701 CG HIS A 105 -25.560 -15.463 -10.185 1.00 70.39 C ANISOU 701 CG HIS A 105 8915 8915 8915 0 0 0 C ATOM 702 ND1 HIS A 105 -26.319 -16.621 -10.123 1.00 72.73 N ANISOU 702 ND1 HIS A 105 9212 9212 9212 0 0 0 N ATOM 703 CD2 HIS A 105 -26.385 -14.393 -10.111 1.00 72.94 C ANISOU 703 CD2 HIS A 105 9238 9238 9238 0 0 0 C ATOM 704 CE1 HIS A 105 -27.572 -16.220 -9.986 1.00 72.51 C ANISOU 704 CE1 HIS A 105 9183 9183 9183 0 0 0 C ATOM 705 NE2 HIS A 105 -27.662 -14.888 -9.974 1.00 72.94 N ANISOU 705 NE2 HIS A 105 9238 9238 9238 0 0 0 N ATOM 706 N LYS A 106 -21.498 -16.987 -10.259 1.00 64.29 N ANISOU 706 N LYS A 106 8142 8142 8142 0 0 0 N ATOM 707 CA LYS A 106 -20.131 -17.257 -10.709 1.00 64.04 C ANISOU 707 CA LYS A 106 8110 8110 8110 0 0 0 C ATOM 708 C LYS A 106 -19.547 -16.061 -11.466 1.00 67.36 C ANISOU 708 C LYS A 106 8532 8532 8532 0 0 0 C ATOM 709 O LYS A 106 -20.292 -15.314 -12.118 1.00 67.22 O ANISOU 709 O LYS A 106 8514 8514 8514 0 0 0 O ATOM 710 CB LYS A 106 -20.059 -18.546 -11.566 1.00 66.46 C ANISOU 710 CB LYS A 106 8417 8417 8417 0 0 0 C ATOM 711 CG LYS A 106 -20.900 -18.540 -12.849 1.00 82.00 C ANISOU 711 CG LYS A 106 10385 10385 10385 0 0 0 C ATOM 712 CD LYS A 106 -20.885 -19.903 -13.538 1.00 93.42 C ANISOU 712 CD LYS A 106 11832 11832 11832 0 0 0 C ATOM 713 CE LYS A 106 -21.917 -20.026 -14.639 1.00103.14 C ANISOU 713 CE LYS A 106 13063 13063 13063 0 0 0 C ATOM 714 NZ LYS A 106 -21.534 -19.266 -15.859 1.00112.67 N ANISOU 714 NZ LYS A 106 14270 14270 14270 0 0 0 N ATOM 715 N ASN A 107 -18.209 -15.876 -11.341 1.00 62.42 N ANISOU 715 N ASN A 107 7905 7905 7905 0 0 0 N ATOM 716 CA ASN A 107 -17.388 -14.848 -12.005 1.00 61.26 C ANISOU 716 CA ASN A 107 7759 7759 7759 0 0 0 C ATOM 717 C ASN A 107 -17.831 -13.409 -11.693 1.00 62.59 C ANISOU 717 C ASN A 107 7927 7927 7927 0 0 0 C ATOM 718 O ASN A 107 -17.642 -12.500 -12.514 1.00 62.80 O ANISOU 718 O ASN A 107 7954 7954 7954 0 0 0 O ATOM 719 CB ASN A 107 -17.308 -15.117 -13.522 1.00 61.02 C ANISOU 719 CB ASN A 107 7728 7728 7728 0 0 0 C ATOM 720 CG ASN A 107 -16.960 -16.548 -13.863 1.00 83.28 C ANISOU 720 CG ASN A 107 10548 10548 10548 0 0 0 C ATOM 721 OD1 ASN A 107 -17.612 -17.183 -14.696 1.00 81.38 O ANISOU 721 OD1 ASN A 107 10307 10307 10307 0 0 0 O ATOM 722 ND2 ASN A 107 -15.949 -17.105 -13.201 1.00 74.68 N ANISOU 722 ND2 ASN A 107 9458 9458 9458 0 0 0 N ATOM 723 N GLU A 108 -18.370 -13.203 -10.476 1.00 56.04 N ANISOU 723 N GLU A 108 7098 7098 7098 0 0 0 N ATOM 724 CA GLU A 108 -18.836 -11.905 -9.999 1.00 54.98 C ANISOU 724 CA GLU A 108 6963 6963 6963 0 0 0 C ATOM 725 C GLU A 108 -17.984 -11.371 -8.851 1.00 55.74 C ANISOU 725 C GLU A 108 7060 7060 7060 0 0 0 C ATOM 726 O GLU A 108 -18.362 -10.384 -8.218 1.00 54.79 O ANISOU 726 O GLU A 108 6939 6939 6939 0 0 0 O ATOM 727 CB GLU A 108 -20.318 -11.968 -9.598 1.00 56.39 C ANISOU 727 CB GLU A 108 7142 7142 7142 0 0 0 C ATOM 728 CG GLU A 108 -21.268 -12.007 -10.780 1.00 67.54 C ANISOU 728 CG GLU A 108 8554 8554 8554 0 0 0 C ATOM 729 CD GLU A 108 -22.746 -12.113 -10.461 1.00 83.21 C ANISOU 729 CD GLU A 108 10539 10539 10539 0 0 0 C ATOM 730 OE1 GLU A 108 -23.544 -12.236 -11.418 1.00 87.43 O ANISOU 730 OE1 GLU A 108 11073 11073 11073 0 0 0 O ATOM 731 OE2 GLU A 108 -23.111 -12.082 -9.264 1.00 67.29 O ANISOU 731 OE2 GLU A 108 8523 8523 8523 0 0 0 O ATOM 732 N LEU A 109 -16.841 -12.022 -8.574 1.00 49.92 N ANISOU 732 N LEU A 109 6322 6322 6322 0 0 0 N ATOM 733 CA LEU A 109 -15.959 -11.601 -7.488 1.00 48.54 C ANISOU 733 CA LEU A 109 6148 6148 6148 0 0 0 C ATOM 734 C LEU A 109 -14.607 -11.181 -7.990 1.00 52.60 C ANISOU 734 C LEU A 109 6661 6661 6661 0 0 0 C ATOM 735 O LEU A 109 -14.064 -11.781 -8.922 1.00 51.68 O ANISOU 735 O LEU A 109 6545 6545 6545 0 0 0 O ATOM 736 CB LEU A 109 -15.801 -12.688 -6.405 1.00 47.73 C ANISOU 736 CB LEU A 109 6044 6044 6044 0 0 0 C ATOM 737 CG LEU A 109 -16.996 -12.973 -5.496 1.00 50.57 C ANISOU 737 CG LEU A 109 6404 6404 6404 0 0 0 C ATOM 738 CD1 LEU A 109 -16.665 -14.081 -4.514 1.00 50.06 C ANISOU 738 CD1 LEU A 109 6340 6340 6340 0 0 0 C ATOM 739 CD2 LEU A 109 -17.428 -11.726 -4.730 1.00 50.64 C ANISOU 739 CD2 LEU A 109 6413 6413 6413 0 0 0 C ATOM 740 N LYS A 110 -14.058 -10.144 -7.357 1.00 50.06 N ANISOU 740 N LYS A 110 6340 6340 6340 0 0 0 N ATOM 741 CA LYS A 110 -12.735 -9.640 -7.695 1.00 50.26 C ANISOU 741 CA LYS A 110 6366 6366 6366 0 0 0 C ATOM 742 C LYS A 110 -12.030 -9.333 -6.404 1.00 51.88 C ANISOU 742 C LYS A 110 6571 6571 6571 0 0 0 C ATOM 743 O LYS A 110 -12.577 -8.628 -5.559 1.00 51.03 O ANISOU 743 O LYS A 110 6463 6463 6463 0 0 0 O ATOM 744 CB LYS A 110 -12.809 -8.415 -8.631 1.00 53.71 C ANISOU 744 CB LYS A 110 6802 6802 6802 0 0 0 C ATOM 745 CG LYS A 110 -11.547 -8.240 -9.483 1.00 72.87 C ANISOU 745 CG LYS A 110 9230 9230 9230 0 0 0 C ATOM 746 CD LYS A 110 -11.850 -7.727 -10.892 1.00 86.93 C ANISOU 746 CD LYS A 110 11010 11010 11010 0 0 0 C ATOM 747 CE LYS A 110 -12.346 -8.809 -11.828 1.00101.11 C ANISOU 747 CE LYS A 110 12806 12806 12806 0 0 0 C ATOM 748 NZ LYS A 110 -12.973 -8.237 -13.047 1.00111.11 N ANISOU 748 NZ LYS A 110 14072 14072 14072 0 0 0 N ATOM 749 N HIS A 111 -10.858 -9.936 -6.202 1.00 48.66 N ANISOU 749 N HIS A 111 6163 6163 6163 0 0 0 N ATOM 750 CA HIS A 111 -10.122 -9.704 -4.970 1.00 48.95 C ANISOU 750 CA HIS A 111 6199 6199 6199 0 0 0 C ATOM 751 C HIS A 111 -9.444 -8.340 -4.944 1.00 55.54 C ANISOU 751 C HIS A 111 7034 7034 7034 0 0 0 C ATOM 752 O HIS A 111 -9.042 -7.819 -5.984 1.00 54.76 O ANISOU 752 O HIS A 111 6935 6935 6935 0 0 0 O ATOM 753 CB HIS A 111 -9.124 -10.833 -4.675 1.00 49.33 C ANISOU 753 CB HIS A 111 6248 6248 6248 0 0 0 C ATOM 754 CG HIS A 111 -7.887 -10.829 -5.522 1.00 52.68 C ANISOU 754 CG HIS A 111 6672 6672 6672 0 0 0 C ATOM 755 ND1 HIS A 111 -7.815 -11.560 -6.699 1.00 54.40 N ANISOU 755 ND1 HIS A 111 6890 6890 6890 0 0 0 N ATOM 756 CD2 HIS A 111 -6.679 -10.261 -5.287 1.00 54.19 C ANISOU 756 CD2 HIS A 111 6863 6863 6863 0 0 0 C ATOM 757 CE1 HIS A 111 -6.588 -11.375 -7.159 1.00 53.89 C ANISOU 757 CE1 HIS A 111 6825 6825 6825 0 0 0 C ATOM 758 NE2 HIS A 111 -5.871 -10.593 -6.347 1.00 54.03 N ANISOU 758 NE2 HIS A 111 6843 6843 6843 0 0 0 N ATOM 759 N VAL A 112 -9.315 -7.791 -3.739 1.00 55.11 N ANISOU 759 N VAL A 112 6980 6980 6980 0 0 0 N ATOM 760 CA VAL A 112 -8.642 -6.531 -3.435 1.00 56.00 C ANISOU 760 CA VAL A 112 7093 7093 7093 0 0 0 C ATOM 761 C VAL A 112 -7.121 -6.744 -3.617 1.00 62.01 C ANISOU 761 C VAL A 112 7854 7854 7854 0 0 0 C ATOM 762 O VAL A 112 -6.635 -7.861 -3.405 1.00 61.19 O ANISOU 762 O VAL A 112 7750 7750 7750 0 0 0 O ATOM 763 CB VAL A 112 -9.014 -6.025 -2.011 1.00 59.68 C ANISOU 763 CB VAL A 112 7559 7559 7559 0 0 0 C ATOM 764 CG1 VAL A 112 -10.505 -5.701 -1.918 1.00 59.44 C ANISOU 764 CG1 VAL A 112 7528 7528 7528 0 0 0 C ATOM 765 CG2 VAL A 112 -8.615 -7.030 -0.929 1.00 59.44 C ANISOU 765 CG2 VAL A 112 7529 7529 7529 0 0 0 C ATOM 766 N LYS A 113 -6.381 -5.679 -4.006 1.00 58.74 N ANISOU 766 N LYS A 113 7440 7440 7440 0 0 0 N ATOM 767 CA LYS A 113 -4.936 -5.725 -4.273 1.00 58.09 C ANISOU 767 CA LYS A 113 7357 7357 7357 0 0 0 C ATOM 768 C LYS A 113 -4.076 -6.263 -3.117 1.00 59.95 C ANISOU 768 C LYS A 113 7593 7593 7593 0 0 0 C ATOM 769 O LYS A 113 -3.074 -6.928 -3.379 1.00 59.36 O ANISOU 769 O LYS A 113 7518 7518 7518 0 0 0 O ATOM 770 CB LYS A 113 -4.423 -4.348 -4.723 1.00 60.98 C ANISOU 770 CB LYS A 113 7723 7723 7723 0 0 0 C ATOM 771 N TYR A 114 -4.466 -5.996 -1.858 1.00 55.98 N ANISOU 771 N TYR A 114 7091 7091 7091 0 0 0 N ATOM 772 CA TYR A 114 -3.701 -6.431 -0.688 1.00 56.44 C ANISOU 772 CA TYR A 114 7148 7148 7148 0 0 0 C ATOM 773 C TYR A 114 -3.914 -7.912 -0.292 1.00 57.10 C ANISOU 773 C TYR A 114 7232 7232 7232 0 0 0 C ATOM 774 O TYR A 114 -3.109 -8.460 0.481 1.00 55.93 O ANISOU 774 O TYR A 114 7083 7083 7083 0 0 0 O ATOM 775 CB TYR A 114 -3.924 -5.494 0.516 1.00 59.46 C ANISOU 775 CB TYR A 114 7530 7530 7530 0 0 0 C ATOM 776 CG TYR A 114 -5.351 -5.354 0.996 1.00 63.79 C ANISOU 776 CG TYR A 114 8079 8079 8079 0 0 0 C ATOM 777 CD1 TYR A 114 -5.805 -6.066 2.104 1.00 66.35 C ANISOU 777 CD1 TYR A 114 8403 8403 8403 0 0 0 C ATOM 778 CD2 TYR A 114 -6.213 -4.420 0.425 1.00 65.27 C ANISOU 778 CD2 TYR A 114 8266 8266 8266 0 0 0 C ATOM 779 CE1 TYR A 114 -7.099 -5.893 2.597 1.00 67.89 C ANISOU 779 CE1 TYR A 114 8598 8598 8598 0 0 0 C ATOM 780 CE2 TYR A 114 -7.507 -4.232 0.914 1.00 66.66 C ANISOU 780 CE2 TYR A 114 8442 8442 8442 0 0 0 C ATOM 781 CZ TYR A 114 -7.951 -4.982 1.993 1.00 75.20 C ANISOU 781 CZ TYR A 114 9525 9525 9525 0 0 0 C ATOM 782 OH TYR A 114 -9.231 -4.819 2.470 1.00 76.97 O ANISOU 782 OH TYR A 114 9748 9748 9748 0 0 0 O ATOM 783 N CYS A 115 -4.966 -8.563 -0.838 1.00 50.80 N ANISOU 783 N CYS A 115 6433 6433 6433 0 0 0 N ATOM 784 CA CYS A 115 -5.252 -9.969 -0.548 1.00 48.58 C ANISOU 784 CA CYS A 115 6153 6153 6153 0 0 0 C ATOM 785 C CYS A 115 -4.198 -10.875 -1.164 1.00 49.97 C ANISOU 785 C CYS A 115 6329 6329 6329 0 0 0 C ATOM 786 O CYS A 115 -4.102 -10.963 -2.390 1.00 49.89 O ANISOU 786 O CYS A 115 6319 6319 6319 0 0 0 O ATOM 787 CB CYS A 115 -6.661 -10.360 -0.989 1.00 48.02 C ANISOU 787 CB CYS A 115 6082 6082 6082 0 0 0 C ATOM 788 SG CYS A 115 -7.118 -12.051 -0.522 1.00 51.07 S ANISOU 788 SG CYS A 115 6468 6468 6468 0 0 0 S ATOM 789 N GLN A 116 -3.421 -11.556 -0.314 1.00 46.20 N ANISOU 789 N GLN A 116 5852 5852 5852 0 0 0 N ATOM 790 CA GLN A 116 -2.331 -12.439 -0.759 1.00 46.50 C ANISOU 790 CA GLN A 116 5890 5890 5890 0 0 0 C ATOM 791 C GLN A 116 -2.731 -13.918 -0.988 1.00 50.48 C ANISOU 791 C GLN A 116 6393 6393 6393 0 0 0 C ATOM 792 O GLN A 116 -1.954 -14.679 -1.582 1.00 49.28 O ANISOU 792 O GLN A 116 6241 6241 6241 0 0 0 O ATOM 793 CB GLN A 116 -1.132 -12.348 0.216 1.00 47.98 C ANISOU 793 CB GLN A 116 6077 6077 6077 0 0 0 C ATOM 794 CG GLN A 116 -0.428 -10.972 0.251 1.00 64.06 C ANISOU 794 CG GLN A 116 8114 8114 8114 0 0 0 C ATOM 795 CD GLN A 116 0.156 -10.564 -1.087 1.00 83.87 C ANISOU 795 CD GLN A 116 10622 10622 10622 0 0 0 C ATOM 796 OE1 GLN A 116 1.118 -11.162 -1.586 1.00 80.01 O ANISOU 796 OE1 GLN A 116 10133 10133 10133 0 0 0 O ATOM 797 NE2 GLN A 116 -0.427 -9.546 -1.708 1.00 73.08 N ANISOU 797 NE2 GLN A 116 9256 9256 9256 0 0 0 N ATOM 798 N TYR A 117 -3.915 -14.331 -0.506 1.00 47.37 N ANISOU 798 N TYR A 117 6000 6000 6000 0 0 0 N ATOM 799 CA TYR A 117 -4.341 -15.724 -0.643 1.00 47.16 C ANISOU 799 CA TYR A 117 5973 5973 5973 0 0 0 C ATOM 800 C TYR A 117 -5.651 -15.898 -1.401 1.00 48.77 C ANISOU 800 C TYR A 117 6177 6177 6177 0 0 0 C ATOM 801 O TYR A 117 -6.271 -16.964 -1.312 1.00 47.09 O ANISOU 801 O TYR A 117 5964 5964 5964 0 0 0 O ATOM 802 CB TYR A 117 -4.378 -16.414 0.728 1.00 49.05 C ANISOU 802 CB TYR A 117 6212 6212 6212 0 0 0 C ATOM 803 CG TYR A 117 -3.015 -16.418 1.374 1.00 52.33 C ANISOU 803 CG TYR A 117 6627 6627 6627 0 0 0 C ATOM 804 CD1 TYR A 117 -2.700 -15.513 2.384 1.00 54.73 C ANISOU 804 CD1 TYR A 117 6932 6932 6932 0 0 0 C ATOM 805 CD2 TYR A 117 -1.994 -17.232 0.885 1.00 53.13 C ANISOU 805 CD2 TYR A 117 6729 6729 6729 0 0 0 C ATOM 806 CE1 TYR A 117 -1.414 -15.446 2.920 1.00 56.70 C ANISOU 806 CE1 TYR A 117 7181 7181 7181 0 0 0 C ATOM 807 CE2 TYR A 117 -0.708 -17.181 1.421 1.00 54.44 C ANISOU 807 CE2 TYR A 117 6895 6895 6895 0 0 0 C ATOM 808 CZ TYR A 117 -0.423 -16.286 2.439 1.00 63.59 C ANISOU 808 CZ TYR A 117 8053 8053 8053 0 0 0 C ATOM 809 OH TYR A 117 0.839 -16.239 2.982 1.00 66.44 O ANISOU 809 OH TYR A 117 8414 8414 8414 0 0 0 O ATOM 810 N ALA A 118 -6.026 -14.886 -2.216 1.00 44.15 N ANISOU 810 N ALA A 118 5591 5591 5591 0 0 0 N ATOM 811 CA ALA A 118 -7.230 -14.906 -3.046 1.00 42.97 C ANISOU 811 CA ALA A 118 5442 5442 5442 0 0 0 C ATOM 812 C ALA A 118 -7.291 -16.183 -3.872 1.00 46.07 C ANISOU 812 C ALA A 118 5835 5835 5835 0 0 0 C ATOM 813 O ALA A 118 -6.242 -16.689 -4.310 1.00 44.91 O ANISOU 813 O ALA A 118 5688 5688 5688 0 0 0 O ATOM 814 CB ALA A 118 -7.220 -13.718 -3.978 1.00 43.75 C ANISOU 814 CB ALA A 118 5541 5541 5541 0 0 0 C ATOM 815 N PHE A 119 -8.515 -16.711 -4.078 1.00 40.78 N ANISOU 815 N PHE A 119 5165 5165 5165 0 0 0 N ATOM 816 CA PHE A 119 -8.739 -17.927 -4.857 1.00 39.69 C ANISOU 816 CA PHE A 119 5026 5026 5026 0 0 0 C ATOM 817 C PHE A 119 -8.000 -17.925 -6.229 1.00 43.48 C ANISOU 817 C PHE A 119 5507 5507 5507 0 0 0 C ATOM 818 O PHE A 119 -7.383 -18.928 -6.581 1.00 39.76 O ANISOU 818 O PHE A 119 5035 5035 5035 0 0 0 O ATOM 819 CB PHE A 119 -10.247 -18.187 -5.022 1.00 40.43 C ANISOU 819 CB PHE A 119 5120 5120 5120 0 0 0 C ATOM 820 CG PHE A 119 -10.558 -19.468 -5.757 1.00 41.08 C ANISOU 820 CG PHE A 119 5202 5202 5202 0 0 0 C ATOM 821 CD1 PHE A 119 -10.802 -19.462 -7.126 1.00 43.91 C ANISOU 821 CD1 PHE A 119 5562 5562 5562 0 0 0 C ATOM 822 CD2 PHE A 119 -10.628 -20.680 -5.076 1.00 42.89 C ANISOU 822 CD2 PHE A 119 5432 5432 5432 0 0 0 C ATOM 823 CE1 PHE A 119 -11.087 -20.654 -7.803 1.00 45.69 C ANISOU 823 CE1 PHE A 119 5786 5786 5786 0 0 0 C ATOM 824 CE2 PHE A 119 -10.909 -21.870 -5.755 1.00 45.43 C ANISOU 824 CE2 PHE A 119 5754 5754 5754 0 0 0 C ATOM 825 CZ PHE A 119 -11.125 -21.849 -7.115 1.00 43.62 C ANISOU 825 CZ PHE A 119 5525 5525 5525 0 0 0 C ATOM 826 N ASP A 120 -8.064 -16.798 -6.973 1.00 43.86 N ANISOU 826 N ASP A 120 5555 5555 5555 0 0 0 N ATOM 827 CA ASP A 120 -7.421 -16.590 -8.283 1.00 45.66 C ANISOU 827 CA ASP A 120 5783 5783 5783 0 0 0 C ATOM 828 C ASP A 120 -5.887 -16.656 -8.246 1.00 49.01 C ANISOU 828 C ASP A 120 6207 6207 6207 0 0 0 C ATOM 829 O ASP A 120 -5.276 -16.901 -9.295 1.00 48.67 O ANISOU 829 O ASP A 120 6165 6165 6165 0 0 0 O ATOM 830 CB ASP A 120 -7.826 -15.223 -8.885 1.00 49.03 C ANISOU 830 CB ASP A 120 6210 6210 6210 0 0 0 C ATOM 831 CG ASP A 120 -9.114 -15.196 -9.690 1.00 68.85 C ANISOU 831 CG ASP A 120 8719 8719 8719 0 0 0 C ATOM 832 OD1 ASP A 120 -9.570 -14.077 -10.042 1.00 70.53 O ANISOU 832 OD1 ASP A 120 8933 8933 8933 0 0 0 O ATOM 833 OD2 ASP A 120 -9.660 -16.294 -9.989 1.00 77.21 O ANISOU 833 OD2 ASP A 120 9779 9779 9779 0 0 0 O ATOM 834 N LEU A 121 -5.268 -16.425 -7.062 1.00 45.04 N ANISOU 834 N LEU A 121 5704 5704 5704 0 0 0 N ATOM 835 CA LEU A 121 -3.808 -16.426 -6.906 1.00 45.02 C ANISOU 835 CA LEU A 121 5702 5702 5702 0 0 0 C ATOM 836 C LEU A 121 -3.187 -17.844 -6.881 1.00 48.53 C ANISOU 836 C LEU A 121 6146 6146 6146 0 0 0 C ATOM 837 O LEU A 121 -1.964 -17.969 -6.867 1.00 48.51 O ANISOU 837 O LEU A 121 6144 6144 6144 0 0 0 O ATOM 838 CB LEU A 121 -3.355 -15.576 -5.704 1.00 44.75 C ANISOU 838 CB LEU A 121 5667 5667 5667 0 0 0 C ATOM 839 CG LEU A 121 -3.761 -14.084 -5.701 1.00 48.78 C ANISOU 839 CG LEU A 121 6178 6178 6178 0 0 0 C ATOM 840 CD1 LEU A 121 -3.116 -13.358 -4.563 1.00 48.05 C ANISOU 840 CD1 LEU A 121 6086 6086 6086 0 0 0 C ATOM 841 CD2 LEU A 121 -3.433 -13.374 -7.035 1.00 51.33 C ANISOU 841 CD2 LEU A 121 6501 6501 6501 0 0 0 C ATOM 842 N LYS A 122 -4.026 -18.896 -6.978 1.00 43.88 N ANISOU 842 N LYS A 122 5558 5558 5558 0 0 0 N ATOM 843 CA LYS A 122 -3.633 -20.308 -7.059 1.00 43.19 C ANISOU 843 CA LYS A 122 5470 5470 5470 0 0 0 C ATOM 844 C LYS A 122 -2.659 -20.754 -5.943 1.00 45.24 C ANISOU 844 C LYS A 122 5730 5730 5730 0 0 0 C ATOM 845 O LYS A 122 -1.614 -21.359 -6.202 1.00 43.92 O ANISOU 845 O LYS A 122 5562 5562 5562 0 0 0 O ATOM 846 CB LYS A 122 -3.090 -20.657 -8.461 1.00 45.69 C ANISOU 846 CB LYS A 122 5786 5786 5786 0 0 0 C ATOM 847 CG LYS A 122 -4.119 -20.515 -9.577 1.00 57.02 C ANISOU 847 CG LYS A 122 7221 7221 7221 0 0 0 C ATOM 848 CD LYS A 122 -3.430 -20.524 -10.926 1.00 65.20 C ANISOU 848 CD LYS A 122 8258 8258 8258 0 0 0 C ATOM 849 CE LYS A 122 -4.170 -19.717 -11.963 1.00 80.55 C ANISOU 849 CE LYS A 122 10202 10202 10202 0 0 0 C ATOM 850 NZ LYS A 122 -3.302 -19.412 -13.135 1.00 88.46 N ANISOU 850 NZ LYS A 122 11203 11203 11203 0 0 0 N ATOM 851 N CYS A 123 -3.026 -20.458 -4.698 1.00 40.64 N ANISOU 851 N CYS A 123 5147 5147 5147 0 0 0 N ATOM 852 CA CYS A 123 -2.266 -20.867 -3.533 1.00 39.61 C ANISOU 852 CA CYS A 123 5017 5017 5017 0 0 0 C ATOM 853 C CYS A 123 -3.037 -21.992 -2.844 1.00 42.77 C ANISOU 853 C CYS A 123 5416 5416 5416 0 0 0 C ATOM 854 O CYS A 123 -4.262 -21.981 -2.885 1.00 42.67 O ANISOU 854 O CYS A 123 5404 5404 5404 0 0 0 O ATOM 855 CB CYS A 123 -2.046 -19.684 -2.598 1.00 39.82 C ANISOU 855 CB CYS A 123 5044 5044 5044 0 0 0 C ATOM 856 SG CYS A 123 -1.124 -20.099 -1.106 1.00 43.65 S ANISOU 856 SG CYS A 123 5528 5528 5528 0 0 0 S ATOM 857 N ASP A 124 -2.340 -22.946 -2.204 1.00 38.51 N ANISOU 857 N ASP A 124 4877 4877 4877 0 0 0 N ATOM 858 CA ASP A 124 -2.969 -24.052 -1.458 1.00 38.44 C ANISOU 858 CA ASP A 124 4869 4869 4869 0 0 0 C ATOM 859 C ASP A 124 -3.855 -23.533 -0.311 1.00 43.22 C ANISOU 859 C ASP A 124 5474 5474 5474 0 0 0 C ATOM 860 O ASP A 124 -4.677 -24.282 0.194 1.00 44.34 O ANISOU 860 O ASP A 124 5616 5616 5616 0 0 0 O ATOM 861 CB ASP A 124 -1.922 -25.017 -0.893 1.00 39.63 C ANISOU 861 CB ASP A 124 5019 5019 5019 0 0 0 C ATOM 862 CG ASP A 124 -1.146 -25.820 -1.917 1.00 55.00 C ANISOU 862 CG ASP A 124 6965 6965 6965 0 0 0 C ATOM 863 OD1 ASP A 124 -1.594 -25.890 -3.087 1.00 55.09 O ANISOU 863 OD1 ASP A 124 6977 6977 6977 0 0 0 O ATOM 864 OD2 ASP A 124 -0.111 -26.414 -1.538 1.00 64.18 O ANISOU 864 OD2 ASP A 124 8128 8128 8128 0 0 0 O ATOM 865 N SER A 125 -3.641 -22.278 0.119 1.00 38.91 N ANISOU 865 N SER A 125 4928 4928 4928 0 0 0 N ATOM 866 CA SER A 125 -4.415 -21.568 1.142 1.00 38.49 C ANISOU 866 CA SER A 125 4874 4874 4874 0 0 0 C ATOM 867 C SER A 125 -5.307 -20.582 0.381 1.00 40.35 C ANISOU 867 C SER A 125 5110 5110 5110 0 0 0 C ATOM 868 O SER A 125 -4.801 -19.800 -0.430 1.00 40.57 O ANISOU 868 O SER A 125 5139 5139 5139 0 0 0 O ATOM 869 CB SER A 125 -3.498 -20.794 2.085 1.00 42.15 C ANISOU 869 CB SER A 125 5338 5338 5338 0 0 0 C ATOM 870 OG SER A 125 -2.749 -21.661 2.914 1.00 52.34 O ANISOU 870 OG SER A 125 6628 6628 6628 0 0 0 O ATOM 871 N VAL A 126 -6.627 -20.648 0.608 1.00 34.72 N ANISOU 871 N VAL A 126 4398 4398 4398 0 0 0 N ATOM 872 CA VAL A 126 -7.607 -19.791 -0.074 1.00 33.30 C ANISOU 872 CA VAL A 126 4217 4217 4217 0 0 0 C ATOM 873 C VAL A 126 -8.186 -18.803 0.914 1.00 33.37 C ANISOU 873 C VAL A 126 4227 4227 4227 0 0 0 C ATOM 874 O VAL A 126 -8.662 -19.221 1.967 1.00 29.52 O ANISOU 874 O VAL A 126 3739 3739 3739 0 0 0 O ATOM 875 CB VAL A 126 -8.708 -20.643 -0.794 1.00 37.46 C ANISOU 875 CB VAL A 126 4744 4744 4744 0 0 0 C ATOM 876 CG1 VAL A 126 -9.840 -19.778 -1.369 1.00 37.07 C ANISOU 876 CG1 VAL A 126 4695 4695 4695 0 0 0 C ATOM 877 CG2 VAL A 126 -8.091 -21.481 -1.895 1.00 37.73 C ANISOU 877 CG2 VAL A 126 4779 4779 4779 0 0 0 C ATOM 878 N CYS A 127 -8.160 -17.489 0.581 1.00 33.43 N ANISOU 878 N CYS A 127 4234 4234 4234 0 0 0 N ATOM 879 CA CYS A 127 -8.775 -16.509 1.468 1.00 34.37 C ANISOU 879 CA CYS A 127 4353 4353 4353 0 0 0 C ATOM 880 C CYS A 127 -10.286 -16.543 1.282 1.00 35.68 C ANISOU 880 C CYS A 127 4519 4519 4519 0 0 0 C ATOM 881 O CYS A 127 -10.762 -16.413 0.161 1.00 34.47 O ANISOU 881 O CYS A 127 4366 4366 4366 0 0 0 O ATOM 882 CB CYS A 127 -8.229 -15.096 1.266 1.00 35.27 C ANISOU 882 CB CYS A 127 4467 4467 4467 0 0 0 C ATOM 883 SG CYS A 127 -8.950 -13.893 2.413 1.00 39.27 S ANISOU 883 SG CYS A 127 4974 4974 4974 0 0 0 S ATOM 884 N VAL A 128 -11.021 -16.727 2.382 1.00 33.32 N ANISOU 884 N VAL A 128 4220 4220 4220 0 0 0 N ATOM 885 CA VAL A 128 -12.493 -16.753 2.408 1.00 32.86 C ANISOU 885 CA VAL A 128 4162 4162 4162 0 0 0 C ATOM 886 C VAL A 128 -13.036 -15.527 3.171 1.00 38.96 C ANISOU 886 C VAL A 128 4934 4934 4934 0 0 0 C ATOM 887 O VAL A 128 -14.201 -15.517 3.578 1.00 38.49 O ANISOU 887 O VAL A 128 4875 4875 4875 0 0 0 O ATOM 888 CB VAL A 128 -13.101 -18.098 2.903 1.00 34.27 C ANISOU 888 CB VAL A 128 4340 4340 4340 0 0 0 C ATOM 889 CG1 VAL A 128 -12.716 -19.247 1.968 1.00 32.70 C ANISOU 889 CG1 VAL A 128 4141 4141 4141 0 0 0 C ATOM 890 CG2 VAL A 128 -12.698 -18.399 4.354 1.00 33.25 C ANISOU 890 CG2 VAL A 128 4212 4212 4212 0 0 0 C ATOM 891 N ASN A 129 -12.196 -14.486 3.334 1.00 36.04 N ANISOU 891 N ASN A 129 4564 4564 4564 0 0 0 N ATOM 892 CA ASN A 129 -12.629 -13.245 3.971 1.00 36.44 C ANISOU 892 CA ASN A 129 4615 4615 4615 0 0 0 C ATOM 893 C ASN A 129 -13.521 -12.522 2.927 1.00 36.66 C ANISOU 893 C ASN A 129 4642 4642 4642 0 0 0 C ATOM 894 O ASN A 129 -13.029 -12.163 1.849 1.00 36.45 O ANISOU 894 O ASN A 129 4616 4616 4616 0 0 0 O ATOM 895 CB ASN A 129 -11.425 -12.373 4.408 1.00 39.23 C ANISOU 895 CB ASN A 129 4968 4968 4968 0 0 0 C ATOM 896 CG ASN A 129 -11.831 -11.129 5.178 1.00 53.38 C ANISOU 896 CG ASN A 129 6761 6761 6761 0 0 0 C ATOM 897 OD1 ASN A 129 -12.969 -10.650 5.094 1.00 39.94 O ANISOU 897 OD1 ASN A 129 5058 5058 5058 0 0 0 O ATOM 898 ND2 ASN A 129 -10.925 -10.604 5.984 1.00 45.03 N ANISOU 898 ND2 ASN A 129 5703 5703 5703 0 0 0 N ATOM 899 N PRO A 130 -14.849 -12.399 3.173 1.00 31.86 N ANISOU 899 N PRO A 130 4035 4035 4035 0 0 0 N ATOM 900 CA PRO A 130 -15.719 -11.779 2.149 1.00 32.51 C ANISOU 900 CA PRO A 130 4118 4118 4118 0 0 0 C ATOM 901 C PRO A 130 -15.383 -10.309 1.841 1.00 39.65 C ANISOU 901 C PRO A 130 5021 5021 5021 0 0 0 C ATOM 902 O PRO A 130 -15.664 -9.836 0.745 1.00 38.58 O ANISOU 902 O PRO A 130 4886 4886 4886 0 0 0 O ATOM 903 CB PRO A 130 -17.127 -11.953 2.715 1.00 33.61 C ANISOU 903 CB PRO A 130 4257 4257 4257 0 0 0 C ATOM 904 CG PRO A 130 -16.943 -12.113 4.170 1.00 37.84 C ANISOU 904 CG PRO A 130 4793 4793 4793 0 0 0 C ATOM 905 CD PRO A 130 -15.615 -12.775 4.383 1.00 32.71 C ANISOU 905 CD PRO A 130 4142 4142 4142 0 0 0 C ATOM 906 N TYR A 131 -14.739 -9.614 2.792 1.00 40.30 N ANISOU 906 N TYR A 131 5104 5104 5104 0 0 0 N ATOM 907 CA TYR A 131 -14.320 -8.219 2.631 1.00 41.07 C ANISOU 907 CA TYR A 131 5201 5201 5201 0 0 0 C ATOM 908 C TYR A 131 -12.952 -8.113 1.955 1.00 47.64 C ANISOU 908 C TYR A 131 6034 6034 6034 0 0 0 C ATOM 909 O TYR A 131 -12.404 -7.015 1.854 1.00 49.52 O ANISOU 909 O TYR A 131 6272 6272 6272 0 0 0 O ATOM 910 CB TYR A 131 -14.400 -7.457 3.957 1.00 42.10 C ANISOU 910 CB TYR A 131 5332 5332 5332 0 0 0 C ATOM 911 CG TYR A 131 -15.802 -7.455 4.536 1.00 43.72 C ANISOU 911 CG TYR A 131 5537 5537 5537 0 0 0 C ATOM 912 CD1 TYR A 131 -16.793 -6.620 4.019 1.00 45.18 C ANISOU 912 CD1 TYR A 131 5722 5722 5722 0 0 0 C ATOM 913 CD2 TYR A 131 -16.157 -8.330 5.558 1.00 44.21 C ANISOU 913 CD2 TYR A 131 5599 5599 5599 0 0 0 C ATOM 914 CE1 TYR A 131 -18.090 -6.634 4.533 1.00 44.62 C ANISOU 914 CE1 TYR A 131 5651 5651 5651 0 0 0 C ATOM 915 CE2 TYR A 131 -17.452 -8.357 6.072 1.00 44.36 C ANISOU 915 CE2 TYR A 131 5618 5618 5618 0 0 0 C ATOM 916 CZ TYR A 131 -18.412 -7.503 5.560 1.00 48.27 C ANISOU 916 CZ TYR A 131 6114 6114 6114 0 0 0 C ATOM 917 OH TYR A 131 -19.689 -7.531 6.059 1.00 50.72 O ANISOU 917 OH TYR A 131 6424 6424 6424 0 0 0 O ATOM 918 N HIS A 132 -12.444 -9.245 1.416 1.00 42.46 N ANISOU 918 N HIS A 132 5378 5378 5378 0 0 0 N ATOM 919 CA HIS A 132 -11.220 -9.304 0.617 1.00 42.42 C ANISOU 919 CA HIS A 132 5373 5373 5373 0 0 0 C ATOM 920 C HIS A 132 -11.565 -9.455 -0.852 1.00 44.59 C ANISOU 920 C HIS A 132 5647 5647 5647 0 0 0 C ATOM 921 O HIS A 132 -10.693 -9.599 -1.710 1.00 45.63 O ANISOU 921 O HIS A 132 5779 5779 5779 0 0 0 O ATOM 922 CB HIS A 132 -10.279 -10.404 1.118 1.00 44.05 C ANISOU 922 CB HIS A 132 5579 5579 5579 0 0 0 C ATOM 923 CG HIS A 132 -9.411 -9.943 2.244 1.00 48.03 C ANISOU 923 CG HIS A 132 6083 6083 6083 0 0 0 C ATOM 924 ND1 HIS A 132 -8.114 -10.380 2.374 1.00 50.04 N ANISOU 924 ND1 HIS A 132 6337 6337 6337 0 0 0 N ATOM 925 CD2 HIS A 132 -9.681 -9.067 3.241 1.00 49.70 C ANISOU 925 CD2 HIS A 132 6295 6295 6295 0 0 0 C ATOM 926 CE1 HIS A 132 -7.638 -9.768 3.443 1.00 49.27 C ANISOU 926 CE1 HIS A 132 6240 6240 6240 0 0 0 C ATOM 927 NE2 HIS A 132 -8.553 -8.984 4.004 1.00 49.57 N ANISOU 927 NE2 HIS A 132 6278 6278 6278 0 0 0 N ATOM 928 N TYR A 133 -12.861 -9.377 -1.135 1.00 39.79 N ANISOU 928 N TYR A 133 5039 5039 5039 0 0 0 N ATOM 929 CA TYR A 133 -13.430 -9.464 -2.467 1.00 39.67 C ANISOU 929 CA TYR A 133 5025 5025 5025 0 0 0 C ATOM 930 C TYR A 133 -14.443 -8.356 -2.608 1.00 46.60 C ANISOU 930 C TYR A 133 5902 5902 5902 0 0 0 C ATOM 931 O TYR A 133 -15.046 -7.922 -1.617 1.00 46.28 O ANISOU 931 O TYR A 133 5862 5862 5862 0 0 0 O ATOM 932 CB TYR A 133 -14.137 -10.827 -2.687 1.00 39.56 C ANISOU 932 CB TYR A 133 5010 5010 5010 0 0 0 C ATOM 933 CG TYR A 133 -13.218 -12.024 -2.589 1.00 38.09 C ANISOU 933 CG TYR A 133 4825 4825 4825 0 0 0 C ATOM 934 CD1 TYR A 133 -12.990 -12.655 -1.370 1.00 39.43 C ANISOU 934 CD1 TYR A 133 4994 4994 4994 0 0 0 C ATOM 935 CD2 TYR A 133 -12.550 -12.510 -3.710 1.00 38.28 C ANISOU 935 CD2 TYR A 133 4849 4849 4849 0 0 0 C ATOM 936 CE1 TYR A 133 -12.123 -13.747 -1.268 1.00 38.12 C ANISOU 936 CE1 TYR A 133 4828 4828 4828 0 0 0 C ATOM 937 CE2 TYR A 133 -11.696 -13.614 -3.624 1.00 38.24 C ANISOU 937 CE2 TYR A 133 4843 4843 4843 0 0 0 C ATOM 938 CZ TYR A 133 -11.473 -14.216 -2.397 1.00 42.22 C ANISOU 938 CZ TYR A 133 5348 5348 5348 0 0 0 C ATOM 939 OH TYR A 133 -10.617 -15.288 -2.301 1.00 42.44 O ANISOU 939 OH TYR A 133 5375 5375 5375 0 0 0 O ATOM 940 N GLU A 134 -14.643 -7.920 -3.847 1.00 46.13 N ANISOU 940 N GLU A 134 5842 5842 5842 0 0 0 N ATOM 941 CA GLU A 134 -15.630 -6.921 -4.212 1.00 47.44 C ANISOU 941 CA GLU A 134 6008 6008 6008 0 0 0 C ATOM 942 C GLU A 134 -16.411 -7.469 -5.393 1.00 51.84 C ANISOU 942 C GLU A 134 6565 6565 6565 0 0 0 C ATOM 943 O GLU A 134 -15.874 -8.264 -6.166 1.00 49.59 O ANISOU 943 O GLU A 134 6280 6280 6280 0 0 0 O ATOM 944 CB GLU A 134 -14.986 -5.543 -4.506 1.00 49.28 C ANISOU 944 CB GLU A 134 6241 6241 6241 0 0 0 C ATOM 945 CG GLU A 134 -14.317 -4.858 -3.306 1.00 62.72 C ANISOU 945 CG GLU A 134 7943 7943 7943 0 0 0 C ATOM 946 CD GLU A 134 -15.072 -4.730 -1.986 1.00 88.34 C ANISOU 946 CD GLU A 134 11188 11188 11188 0 0 0 C ATOM 947 OE1 GLU A 134 -16.313 -4.556 -2.009 1.00 82.52 O ANISOU 947 OE1 GLU A 134 10451 10451 10451 0 0 0 O ATOM 948 OE2 GLU A 134 -14.409 -4.777 -0.923 1.00 81.12 O ANISOU 948 OE2 GLU A 134 10274 10274 10274 0 0 0 O ATOM 949 N ARG A 135 -17.701 -7.104 -5.486 1.00 52.09 N ANISOU 949 N ARG A 135 6598 6598 6598 0 0 0 N ATOM 950 CA ARG A 135 -18.573 -7.583 -6.551 1.00 53.60 C ANISOU 950 CA ARG A 135 6789 6789 6789 0 0 0 C ATOM 951 C ARG A 135 -18.360 -6.834 -7.859 1.00 63.25 C ANISOU 951 C ARG A 135 8011 8011 8011 0 0 0 C ATOM 952 O ARG A 135 -18.230 -5.608 -7.869 1.00 63.91 O ANISOU 952 O ARG A 135 8094 8094 8094 0 0 0 O ATOM 953 CB ARG A 135 -20.053 -7.570 -6.126 1.00 51.64 C ANISOU 953 CB ARG A 135 6540 6540 6540 0 0 0 C ATOM 954 CG ARG A 135 -20.915 -8.504 -6.969 1.00 51.38 C ANISOU 954 CG ARG A 135 6507 6507 6507 0 0 0 C ATOM 955 CD ARG A 135 -22.363 -8.492 -6.554 1.00 45.78 C ANISOU 955 CD ARG A 135 5798 5798 5798 0 0 0 C ATOM 956 NE ARG A 135 -23.147 -9.412 -7.377 1.00 47.15 N ANISOU 956 NE ARG A 135 5971 5971 5971 0 0 0 N ATOM 957 CZ ARG A 135 -24.391 -9.789 -7.102 1.00 59.44 C ANISOU 957 CZ ARG A 135 7528 7528 7528 0 0 0 C ATOM 958 NH1 ARG A 135 -24.999 -9.350 -6.008 1.00 49.44 N ANISOU 958 NH1 ARG A 135 6261 6261 6261 0 0 0 N ATOM 959 NH2 ARG A 135 -25.034 -10.614 -7.915 1.00 44.27 N ANISOU 959 NH2 ARG A 135 5606 5606 5606 0 0 0 N ATOM 960 N VAL A 136 -18.318 -7.597 -8.960 1.00 63.09 N ANISOU 960 N VAL A 136 7991 7991 7991 0 0 0 N ATOM 961 CA VAL A 136 -18.156 -7.122 -10.332 1.00 64.78 C ANISOU 961 CA VAL A 136 8205 8205 8205 0 0 0 C ATOM 962 C VAL A 136 -19.219 -7.764 -11.239 1.00 72.21 C ANISOU 962 C VAL A 136 9145 9145 9145 0 0 0 C ATOM 963 O VAL A 136 -19.775 -8.811 -10.889 1.00 71.66 O ANISOU 963 O VAL A 136 9076 9076 9076 0 0 0 O ATOM 964 CB VAL A 136 -16.716 -7.328 -10.883 1.00 69.07 C ANISOU 964 CB VAL A 136 8748 8748 8748 0 0 0 C ATOM 965 CG1 VAL A 136 -15.721 -6.383 -10.208 1.00 68.85 C ANISOU 965 CG1 VAL A 136 8720 8720 8720 0 0 0 C ATOM 966 CG2 VAL A 136 -16.266 -8.787 -10.773 1.00 68.91 C ANISOU 966 CG2 VAL A 136 8728 8728 8728 0 0 0 C ATOM 967 N VAL A 137 -19.490 -7.137 -12.400 1.00 70.93 N ANISOU 967 N VAL A 137 8984 8984 8984 0 0 0 N ATOM 968 CA VAL A 137 -20.472 -7.612 -13.382 1.00 71.69 C ANISOU 968 CA VAL A 137 9079 9079 9079 0 0 0 C ATOM 969 C VAL A 137 -19.870 -8.796 -14.170 1.00 76.39 C ANISOU 969 C VAL A 137 9675 9675 9675 0 0 0 C ATOM 970 O VAL A 137 -18.708 -8.726 -14.576 1.00 77.02 O ANISOU 970 O VAL A 137 9755 9755 9755 0 0 0 O ATOM 971 CB VAL A 137 -20.958 -6.460 -14.311 1.00 75.93 C ANISOU 971 CB VAL A 137 9617 9617 9617 0 0 0 C ATOM 972 CG1 VAL A 137 -22.116 -6.911 -15.202 1.00 75.93 C ANISOU 972 CG1 VAL A 137 9617 9617 9617 0 0 0 C ATOM 973 CG2 VAL A 137 -21.362 -5.228 -13.503 1.00 75.73 C ANISOU 973 CG2 VAL A 137 9592 9592 9592 0 0 0 C ATOM 974 N SER A 138 -20.646 -9.882 -14.359 1.00 72.25 N ANISOU 974 N SER A 138 9151 9151 9151 0 0 0 N ATOM 975 CA SER A 138 -20.192 -11.069 -15.095 1.00107.46 C ANISOU 975 CA SER A 138 13609 13609 13609 0 0 0 C ATOM 976 C SER A 138 -20.455 -10.933 -16.595 1.00133.51 C ANISOU 976 C SER A 138 16910 16910 16910 0 0 0 C ATOM 977 O SER A 138 -19.533 -10.681 -17.370 1.00 89.67 O ANISOU 977 O SER A 138 11356 11356 11356 0 0 0 O ATOM 978 CB SER A 138 -20.857 -12.331 -14.553 1.00111.07 C ANISOU 978 CB SER A 138 14067 14067 14067 0 0 0 C ATOM 979 OG SER A 138 -22.272 -12.233 -14.582 1.00120.07 O ANISOU 979 OG SER A 138 15207 15207 15207 0 0 0 O TER 980 SER A 138 ATOM 981 P DA D 1 -8.360 -47.458 28.649 1.00 86.85 P ATOM 982 OP1 DA D 1 -7.236 -46.824 29.391 1.00 87.23 O ATOM 983 OP2 DA D 1 -9.745 -47.380 29.181 1.00 87.09 O ATOM 984 O5' DA D 1 -8.014 -49.004 28.372 1.00 84.64 O ATOM 985 C5' DA D 1 -6.977 -49.350 27.450 1.00 82.32 C ATOM 986 C4' DA D 1 -7.322 -50.608 26.643 1.00 79.88 C ATOM 987 O4' DA D 1 -8.732 -50.934 26.756 1.00 77.97 O ATOM 988 C3' DA D 1 -7.038 -50.526 25.150 1.00 79.13 C ATOM 989 O3' DA D 1 -6.609 -51.810 24.673 1.00 79.94 O ATOM 990 C2' DA D 1 -8.389 -50.102 24.553 1.00 77.37 C ATOM 991 C1' DA D 1 -9.397 -50.733 25.516 1.00 75.82 C ATOM 992 N9 DA D 1 -10.569 -49.899 25.775 1.00 72.43 N ATOM 993 C8 DA D 1 -10.578 -48.659 26.351 1.00 71.31 C ATOM 994 N7 DA D 1 -11.776 -48.175 26.566 1.00 70.54 N ATOM 995 C5 DA D 1 -12.621 -49.173 26.119 1.00 69.88 C ATOM 996 C6 DA D 1 -14.030 -49.273 26.065 1.00 68.84 C ATOM 997 N6 DA D 1 -14.855 -48.305 26.491 1.00 68.41 N ATOM 998 N1 DA D 1 -14.561 -50.413 25.559 1.00 68.68 N ATOM 999 C2 DA D 1 -13.734 -51.390 25.144 1.00 69.13 C ATOM 1000 N3 DA D 1 -12.395 -51.407 25.133 1.00 69.85 N ATOM 1001 C4 DA D 1 -11.895 -50.255 25.640 1.00 70.65 C ATOM 1002 P DT D 2 -5.862 -51.966 23.257 1.00 80.73 P ATOM 1003 OP1 DT D 2 -5.049 -53.210 23.304 1.00 80.88 O ATOM 1004 OP2 DT D 2 -5.212 -50.670 22.918 1.00 80.99 O ATOM 1005 O5' DT D 2 -7.088 -52.188 22.243 1.00 79.76 O ATOM 1006 C5' DT D 2 -7.918 -53.352 22.381 1.00 78.35 C ATOM 1007 C4' DT D 2 -9.185 -53.258 21.544 1.00 76.60 C ATOM 1008 O4' DT D 2 -10.134 -52.373 22.166 1.00 74.95 O ATOM 1009 C3' DT D 2 -9.018 -52.749 20.107 1.00 76.35 C ATOM 1010 O3' DT D 2 -9.138 -53.861 19.194 1.00 77.55 O ATOM 1011 C2' DT D 2 -10.165 -51.722 19.939 1.00 74.92 C ATOM 1012 C1' DT D 2 -11.029 -51.976 21.170 1.00 73.32 C ATOM 1013 N1 DT D 2 -11.827 -50.780 21.658 1.00 70.13 N ATOM 1014 C2 DT D 2 -13.214 -50.871 21.717 1.00 68.38 C ATOM 1015 O2 DT D 2 -13.840 -51.866 21.380 1.00 68.25 O ATOM 1016 N3 DT D 2 -13.844 -49.752 22.210 1.00 67.07 N ATOM 1017 C4 DT D 2 -13.251 -48.570 22.632 1.00 67.11 C ATOM 1018 O4 DT D 2 -13.961 -47.655 23.054 1.00 66.96 O ATOM 1019 C5 DT D 2 -11.795 -48.538 22.549 1.00 67.73 C ATOM 1020 C7 DT D 2 -11.034 -47.318 22.988 1.00 67.59 C ATOM 1021 C6 DT D 2 -11.162 -49.633 22.083 1.00 68.73 C ATOM 1022 P DG D 3 -8.940 -53.682 17.598 1.00 78.59 P ATOM 1023 OP1 DG D 3 -8.358 -54.942 17.061 1.00 78.96 O ATOM 1024 OP2 DG D 3 -8.252 -52.385 17.343 1.00 78.83 O ATOM 1025 O5' DG D 3 -10.454 -53.591 17.074 1.00 76.91 O ATOM 1026 C5' DG D 3 -11.373 -54.656 17.363 1.00 74.84 C ATOM 1027 C4' DG D 3 -12.814 -54.226 17.146 1.00 72.62 C ATOM 1028 O4' DG D 3 -13.153 -53.117 18.019 1.00 70.87 O ATOM 1029 C3' DG D 3 -13.171 -53.778 15.721 1.00 71.96 C ATOM 1030 O3' DG D 3 -14.331 -54.485 15.299 1.00 73.09 O ATOM 1031 C2' DG D 3 -13.447 -52.275 15.879 1.00 70.11 C ATOM 1032 C1' DG D 3 -13.968 -52.219 17.308 1.00 68.18 C ATOM 1033 N9 DG D 3 -13.890 -50.899 17.942 1.00 63.67 N ATOM 1034 C8 DG D 3 -12.754 -50.159 18.191 1.00 62.56 C ATOM 1035 N7 DG D 3 -12.986 -49.035 18.823 1.00 61.52 N ATOM 1036 C5 DG D 3 -14.365 -49.024 19.005 1.00 60.21 C ATOM 1037 C6 DG D 3 -15.207 -48.046 19.608 1.00 58.39 C ATOM 1038 O6 DG D 3 -14.885 -46.968 20.131 1.00 58.17 O ATOM 1039 N1 DG D 3 -16.552 -48.417 19.560 1.00 57.42 N ATOM 1040 C2 DG D 3 -17.028 -49.589 19.013 1.00 57.64 C ATOM 1041 N2 DG D 3 -18.348 -49.782 19.094 1.00 57.29 N ATOM 1042 N3 DG D 3 -16.258 -50.520 18.456 1.00 59.00 N ATOM 1043 C4 DG D 3 -14.937 -50.175 18.485 1.00 60.98 C ATOM 1044 P DC D 4 -14.652 -54.741 13.746 1.00 73.72 P ATOM 1045 OP1 DC D 4 -14.611 -56.208 13.500 1.00 73.44 O ATOM 1046 OP2 DC D 4 -13.821 -53.824 12.921 1.00 73.75 O ATOM 1047 O5' DC D 4 -16.171 -54.249 13.644 1.00 72.55 O ATOM 1048 C5' DC D 4 -17.163 -54.757 14.560 1.00 70.65 C ATOM 1049 C4' DC D 4 -18.359 -53.821 14.638 1.00 68.44 C ATOM 1050 O4' DC D 4 -18.016 -52.689 15.464 1.00 66.43 O ATOM 1051 C3' DC D 4 -18.804 -53.250 13.293 1.00 67.86 C ATOM 1052 O3' DC D 4 -19.993 -53.959 12.742 1.00 68.91 O ATOM 1053 C2' DC D 4 -18.997 -51.744 13.514 1.00 65.88 C ATOM 1054 C1' DC D 4 -18.652 -51.523 14.985 1.00 63.76 C ATOM 1055 N1 DC D 4 -17.744 -50.330 15.246 1.00 58.79 N ATOM 1056 C2 DC D 4 -18.280 -49.145 15.790 1.00 56.61 C ATOM 1057 O2 DC D 4 -19.498 -49.062 15.987 1.00 56.83 O ATOM 1058 N3 DC D 4 -17.436 -48.111 16.075 1.00 54.88 N ATOM 1059 C4 DC D 4 -16.118 -48.228 15.839 1.00 53.75 C ATOM 1060 N4 DC D 4 -15.333 -47.187 16.133 1.00 52.94 N ATOM 1061 C5 DC D 4 -15.559 -49.409 15.267 1.00 54.49 C ATOM 1062 C6 DC D 4 -16.392 -50.434 15.014 1.00 56.46 C ATOM 1063 P DG D 5 -21.493 -53.779 13.323 1.00 69.30 P ATOM 1064 OP1 DG D 5 -21.418 -53.645 14.806 1.00 70.12 O ATOM 1065 OP2 DG D 5 -22.336 -54.846 12.734 1.00 69.36 O ATOM 1066 O5' DG D 5 -21.972 -52.380 12.691 1.00 66.64 O ATOM 1067 C5' DG D 5 -22.816 -51.504 13.446 1.00 63.58 C ATOM 1068 C4' DG D 5 -22.793 -50.089 12.892 1.00 60.81 C ATOM 1069 O4' DG D 5 -21.547 -49.427 13.236 1.00 58.61 O ATOM 1070 C3' DG D 5 -22.932 -49.958 11.361 1.00 60.16 C ATOM 1071 O3' DG D 5 -23.846 -48.910 11.079 1.00 61.54 O ATOM 1072 C2' DG D 5 -21.508 -49.560 10.935 1.00 57.89 C ATOM 1073 C1' DG D 5 -21.137 -48.685 12.109 1.00 56.06 C ATOM 1074 N9 DG D 5 -19.722 -48.317 12.235 1.00 51.16 N ATOM 1075 C8 DG D 5 -18.615 -49.035 11.834 1.00 49.48 C ATOM 1076 N7 DG D 5 -17.484 -48.451 12.129 1.00 48.57 N ATOM 1077 C5 DG D 5 -17.866 -47.269 12.763 1.00 46.99 C ATOM 1078 C6 DG D 5 -17.079 -46.209 13.288 1.00 45.27 C ATOM 1079 O6 DG D 5 -15.847 -46.116 13.321 1.00 45.38 O ATOM 1080 N1 DG D 5 -17.868 -45.182 13.819 1.00 44.20 N ATOM 1081 C2 DG D 5 -19.239 -45.178 13.825 1.00 44.96 C ATOM 1082 N2 DG D 5 -19.828 -44.121 14.379 1.00 45.03 N ATOM 1083 N3 DG D 5 -19.987 -46.161 13.340 1.00 46.72 N ATOM 1084 C4 DG D 5 -19.236 -47.171 12.824 1.00 47.89 C ATOM 1085 P DG D 6 -25.218 -49.170 10.289 1.00 62.13 P ATOM 1086 OP1 DG D 6 -26.181 -49.791 11.224 1.00 62.87 O ATOM 1087 OP2 DG D 6 -24.908 -49.831 8.991 1.00 62.50 O ATOM 1088 O5' DG D 6 -25.689 -47.679 9.981 1.00 58.69 O ATOM 1089 C5' DG D 6 -25.857 -46.766 11.049 1.00 55.31 C ATOM 1090 C4' DG D 6 -25.138 -45.467 10.771 1.00 52.16 C ATOM 1091 O4' DG D 6 -23.711 -45.630 10.953 1.00 50.41 O ATOM 1092 C3' DG D 6 -25.323 -44.888 9.364 1.00 51.26 C ATOM 1093 O3' DG D 6 -25.669 -43.529 9.504 1.00 52.38 O ATOM 1094 C2' DG D 6 -23.930 -45.050 8.728 1.00 49.13 C ATOM 1095 C1' DG D 6 -23.061 -44.887 9.958 1.00 47.50 C ATOM 1096 N9 DG D 6 -21.675 -45.345 9.825 1.00 42.95 N ATOM 1097 C8 DG D 6 -21.215 -46.516 9.253 1.00 41.66 C ATOM 1098 N7 DG D 6 -19.913 -46.637 9.282 1.00 40.14 N ATOM 1099 C5 DG D 6 -19.478 -45.457 9.887 1.00 39.11 C ATOM 1100 C6 DG D 6 -18.160 -45.005 10.191 1.00 37.85 C ATOM 1101 O6 DG D 6 -17.084 -45.577 9.961 1.00 38.80 O ATOM 1102 N1 DG D 6 -18.168 -43.738 10.806 1.00 36.27 N ATOM 1103 C2 DG D 6 -19.304 -43.000 11.070 1.00 35.73 C ATOM 1104 N2 DG D 6 -19.124 -41.800 11.629 1.00 35.06 N ATOM 1105 N3 DG D 6 -20.536 -43.413 10.793 1.00 37.22 N ATOM 1106 C4 DG D 6 -20.551 -44.646 10.207 1.00 39.53 C ATOM 1107 P DG D 7 -26.559 -42.751 8.420 1.00 51.39 P ATOM 1108 OP1 DG D 7 -27.929 -42.627 8.966 1.00 52.73 O ATOM 1109 OP2 DG D 7 -26.345 -43.347 7.083 1.00 50.76 O ATOM 1110 O5' DG D 7 -25.869 -41.310 8.439 1.00 49.55 O ATOM 1111 C5' DG D 7 -25.651 -40.648 9.688 1.00 46.72 C ATOM 1112 C4' DG D 7 -24.671 -39.501 9.540 1.00 44.84 C ATOM 1113 O4' DG D 7 -23.313 -39.997 9.600 1.00 43.60 O ATOM 1114 C3' DG D 7 -24.774 -38.692 8.249 1.00 43.18 C ATOM 1115 O3' DG D 7 -24.626 -37.313 8.557 1.00 42.87 O ATOM 1116 C2' DG D 7 -23.610 -39.225 7.403 1.00 41.84 C ATOM 1117 C1' DG D 7 -22.585 -39.558 8.477 1.00 40.24 C ATOM 1118 N9 DG D 7 -21.648 -40.617 8.116 1.00 35.63 N ATOM 1119 C8 DG D 7 -21.952 -41.888 7.699 1.00 33.75 C ATOM 1120 N7 DG D 7 -20.907 -42.628 7.502 1.00 33.62 N ATOM 1121 C5 DG D 7 -19.837 -41.809 7.858 1.00 32.88 C ATOM 1122 C6 DG D 7 -18.435 -42.058 7.828 1.00 31.58 C ATOM 1123 O6 DG D 7 -17.850 -43.103 7.529 1.00 31.59 O ATOM 1124 N1 DG D 7 -17.703 -40.955 8.271 1.00 31.04 N ATOM 1125 C2 DG D 7 -18.254 -39.738 8.628 1.00 31.83 C ATOM 1126 N2 DG D 7 -17.398 -38.769 8.994 1.00 31.58 N ATOM 1127 N3 DG D 7 -19.555 -39.490 8.620 1.00 32.57 N ATOM 1128 C4 DG D 7 -20.283 -40.567 8.225 1.00 33.25 C ATOM 1129 P DC D 8 -25.032 -36.177 7.484 1.00 41.35 P ATOM 1130 OP1 DC D 8 -25.554 -35.024 8.242 1.00 41.63 O ATOM 1131 OP2 DC D 8 -25.835 -36.807 6.401 1.00 41.42 O ATOM 1132 O5' DC D 8 -23.627 -35.798 6.855 1.00 38.39 O ATOM 1133 C5' DC D 8 -22.579 -35.273 7.668 1.00 35.78 C ATOM 1134 C4' DC D 8 -21.292 -35.244 6.864 1.00 33.44 C ATOM 1135 O4' DC D 8 -20.759 -36.590 6.763 1.00 32.50 O ATOM 1136 C3' DC D 8 -21.440 -34.745 5.408 1.00 32.80 C ATOM 1137 O3' DC D 8 -20.359 -33.891 5.133 1.00 32.94 O ATOM 1138 C2' DC D 8 -21.331 -36.034 4.596 1.00 32.33 C ATOM 1139 C1' DC D 8 -20.307 -36.763 5.458 1.00 32.18 C ATOM 1140 N1 DC D 8 -20.092 -38.225 5.176 1.00 31.18 N ATOM 1141 C2 DC D 8 -18.783 -38.740 5.258 1.00 30.18 C ATOM 1142 O2 DC D 8 -17.845 -37.973 5.555 1.00 30.16 O ATOM 1143 N3 DC D 8 -18.574 -40.061 4.981 1.00 29.77 N ATOM 1144 C4 DC D 8 -19.612 -40.856 4.655 1.00 30.42 C ATOM 1145 N4 DC D 8 -19.355 -42.140 4.391 1.00 30.63 N ATOM 1146 C5 DC D 8 -20.954 -40.355 4.566 1.00 31.14 C ATOM 1147 C6 DC D 8 -21.149 -39.041 4.823 1.00 31.41 C ATOM 1148 P DG D 9 -20.503 -32.596 4.215 1.00 32.06 P ATOM 1149 OP1 DG D 9 -20.950 -31.464 5.066 1.00 32.30 O ATOM 1150 OP2 DG D 9 -21.253 -32.947 2.997 1.00 30.94 O ATOM 1151 O5' DG D 9 -18.984 -32.354 3.795 1.00 32.40 O ATOM 1152 C5' DG D 9 -17.959 -32.267 4.771 1.00 32.22 C ATOM 1153 C4' DG D 9 -16.618 -32.676 4.187 1.00 31.92 C ATOM 1154 O4' DG D 9 -16.535 -34.121 4.091 1.00 32.34 O ATOM 1155 C3' DG D 9 -16.282 -32.132 2.793 1.00 32.33 C ATOM 1156 O3' DG D 9 -14.885 -31.847 2.759 1.00 33.10 O ATOM 1157 C2' DG D 9 -16.642 -33.308 1.877 1.00 31.46 C ATOM 1158 C1' DG D 9 -16.266 -34.509 2.752 1.00 31.23 C ATOM 1159 N9 DG D 9 -17.039 -35.724 2.469 1.00 28.74 N ATOM 1160 C8 DG D 9 -18.411 -35.857 2.485 1.00 27.89 C ATOM 1161 N7 DG D 9 -18.820 -37.075 2.258 1.00 27.75 N ATOM 1162 C5 DG D 9 -17.650 -37.803 2.074 1.00 27.46 C ATOM 1163 C6 DG D 9 -17.458 -39.196 1.822 1.00 27.38 C ATOM 1164 O6 DG D 9 -18.327 -40.069 1.599 1.00 27.34 O ATOM 1165 N1 DG D 9 -16.099 -39.517 1.692 1.00 26.31 N ATOM 1166 C2 DG D 9 -15.060 -38.614 1.805 1.00 26.63 C ATOM 1167 N2 DG D 9 -13.816 -39.106 1.677 1.00 25.84 N ATOM 1168 N3 DG D 9 -15.224 -37.326 2.101 1.00 27.12 N ATOM 1169 C4 DG D 9 -16.541 -36.992 2.241 1.00 27.83 C ATOM 1170 P DC D 10 -14.190 -30.946 1.637 1.00 33.55 P ATOM 1171 OP1 DC D 10 -13.371 -29.956 2.345 1.00 35.05 O ATOM 1172 OP2 DC D 10 -15.174 -30.516 0.618 1.00 32.56 O ATOM 1173 O5' DC D 10 -13.214 -31.972 0.937 1.00 34.09 O ATOM 1174 C5' DC D 10 -12.103 -32.496 1.661 1.00 34.31 C ATOM 1175 C4' DC D 10 -11.388 -33.528 0.826 1.00 33.54 C ATOM 1176 O4' DC D 10 -12.296 -34.616 0.497 1.00 32.97 O ATOM 1177 C3' DC D 10 -10.836 -33.029 -0.500 1.00 33.04 C ATOM 1178 O3' DC D 10 -9.595 -33.708 -0.727 1.00 34.82 O ATOM 1179 C2' DC D 10 -11.938 -33.412 -1.505 1.00 30.89 C ATOM 1180 C1' DC D 10 -12.465 -34.716 -0.897 1.00 31.10 C ATOM 1181 N1 DC D 10 -13.917 -35.048 -1.148 1.00 30.00 N ATOM 1182 C2 DC D 10 -14.296 -36.400 -1.167 1.00 28.35 C ATOM 1183 O2 DC D 10 -13.431 -37.254 -1.082 1.00 27.88 O ATOM 1184 N3 DC D 10 -15.598 -36.727 -1.317 1.00 27.51 N ATOM 1185 C4 DC D 10 -16.523 -35.775 -1.377 1.00 28.15 C ATOM 1186 N4 DC D 10 -17.793 -36.165 -1.495 1.00 28.03 N ATOM 1187 C5 DC D 10 -16.177 -34.382 -1.391 1.00 29.22 C ATOM 1188 C6 DC D 10 -14.873 -34.060 -1.243 1.00 29.89 C ATOM 1189 P DG D 11 -8.700 -33.474 -2.024 1.00 37.63 P ATOM 1190 OP1 DG D 11 -7.290 -33.455 -1.573 1.00 39.45 O ATOM 1191 OP2 DG D 11 -9.251 -32.348 -2.823 1.00 35.89 O ATOM 1192 O5' DG D 11 -8.948 -34.809 -2.859 1.00 38.83 O ATOM 1193 C5' DG D 11 -8.461 -36.057 -2.357 1.00 38.69 C ATOM 1194 C4' DG D 11 -8.861 -37.186 -3.271 1.00 38.32 C ATOM 1195 O4' DG D 11 -10.299 -37.300 -3.291 1.00 36.45 O ATOM 1196 C3' DG D 11 -8.408 -37.044 -4.724 1.00 39.97 C ATOM 1197 O3' DG D 11 -7.811 -38.291 -5.163 1.00 43.64 O ATOM 1198 C2' DG D 11 -9.701 -36.710 -5.485 1.00 37.50 C ATOM 1199 C1' DG D 11 -10.762 -37.389 -4.616 1.00 35.43 C ATOM 1200 N9 DG D 11 -12.075 -36.749 -4.665 1.00 32.75 N ATOM 1201 C8 DG D 11 -12.349 -35.406 -4.488 1.00 32.34 C ATOM 1202 N7 DG D 11 -13.616 -35.120 -4.565 1.00 32.14 N ATOM 1203 C5 DG D 11 -14.240 -36.359 -4.687 1.00 30.92 C ATOM 1204 C6 DG D 11 -15.615 -36.690 -4.715 1.00 29.94 C ATOM 1205 O6 DG D 11 -16.581 -35.935 -4.628 1.00 30.95 O ATOM 1206 N1 DG D 11 -15.823 -38.051 -4.924 1.00 28.98 N ATOM 1207 C2 DG D 11 -14.824 -38.995 -4.991 1.00 29.41 C ATOM 1208 N2 DG D 11 -15.217 -40.260 -5.179 1.00 28.45 N ATOM 1209 N3 DG D 11 -13.527 -38.711 -4.902 1.00 30.66 N ATOM 1210 C4 DG D 11 -13.305 -37.375 -4.749 1.00 31.28 C ATOM 1211 P DC D 12 -7.085 -38.418 -6.591 1.00 46.46 P ATOM 1212 OP1 DC D 12 -5.939 -39.343 -6.417 1.00 47.67 O ATOM 1213 OP2 DC D 12 -6.861 -37.063 -7.164 1.00 46.66 O ATOM 1214 O5' DC D 12 -8.196 -39.127 -7.480 1.00 45.92 O ATOM 1215 C5' DC D 12 -8.706 -40.379 -7.090 1.00 45.66 C ATOM 1216 C4' DC D 12 -9.896 -40.748 -7.932 1.00 45.80 C ATOM 1217 O4' DC D 12 -11.026 -39.925 -7.571 1.00 44.50 O ATOM 1218 C3' DC D 12 -9.703 -40.582 -9.441 1.00 47.32 C ATOM 1219 O3' DC D 12 -9.841 -41.864 -10.065 1.00 50.31 O ATOM 1220 C2' DC D 12 -10.813 -39.598 -9.860 1.00 45.35 C ATOM 1221 C1' DC D 12 -11.813 -39.742 -8.713 1.00 43.60 C ATOM 1222 N1 DC D 12 -12.697 -38.541 -8.499 1.00 39.83 N ATOM 1223 C2 DC D 12 -14.103 -38.689 -8.499 1.00 38.24 C ATOM 1224 O2 DC D 12 -14.601 -39.809 -8.675 1.00 37.51 O ATOM 1225 N3 DC D 12 -14.883 -37.586 -8.273 1.00 36.77 N ATOM 1226 C4 DC D 12 -14.317 -36.393 -8.071 1.00 36.10 C ATOM 1227 N4 DC D 12 -15.126 -35.336 -7.890 1.00 35.14 N ATOM 1228 C5 DC D 12 -12.895 -36.220 -8.084 1.00 37.51 C ATOM 1229 C6 DC D 12 -12.132 -37.313 -8.276 1.00 38.55 C ATOM 1230 P DC D 13 -9.576 -42.066 -11.640 1.00 51.69 P ATOM 1231 OP1 DC D 13 -9.107 -43.454 -11.827 1.00 52.02 O ATOM 1232 OP2 DC D 13 -8.768 -40.927 -12.135 1.00 51.63 O ATOM 1233 O5' DC D 13 -11.047 -41.937 -12.254 1.00 52.50 O ATOM 1234 C5' DC D 13 -12.131 -42.694 -11.678 1.00 53.27 C ATOM 1235 C4' DC D 13 -13.477 -42.198 -12.171 1.00 53.98 C ATOM 1236 O4' DC D 13 -13.803 -40.922 -11.565 1.00 53.39 O ATOM 1237 C3' DC D 13 -13.564 -41.989 -13.679 1.00 55.44 C ATOM 1238 O3' DC D 13 -14.466 -42.939 -14.240 1.00 58.58 O ATOM 1239 C2' DC D 13 -14.050 -40.535 -13.852 1.00 53.71 C ATOM 1240 C1' DC D 13 -14.598 -40.196 -12.471 1.00 52.26 C ATOM 1241 N1 DC D 13 -14.559 -38.704 -12.106 1.00 49.12 N ATOM 1242 C2 DC D 13 -15.765 -38.011 -11.890 1.00 47.10 C ATOM 1243 O2 DC D 13 -16.835 -38.613 -12.007 1.00 47.12 O ATOM 1244 N3 DC D 13 -15.719 -36.700 -11.525 1.00 46.24 N ATOM 1245 C4 DC D 13 -14.541 -36.074 -11.406 1.00 46.11 C ATOM 1246 N4 DC D 13 -14.553 -34.779 -11.078 1.00 46.35 N ATOM 1247 C5 DC D 13 -13.296 -36.751 -11.629 1.00 46.67 C ATOM 1248 C6 DC D 13 -13.349 -38.050 -11.976 1.00 47.86 C ATOM 1249 P DC D 14 -14.309 -43.411 -15.770 1.00 60.48 P ATOM 1250 OP1 DC D 14 -14.479 -44.886 -15.818 1.00 60.77 O ATOM 1251 OP2 DC D 14 -13.081 -42.791 -16.327 1.00 60.65 O ATOM 1252 O5' DC D 14 -15.562 -42.718 -16.475 1.00 60.15 O ATOM 1253 C5' DC D 14 -16.809 -42.609 -15.790 1.00 59.70 C ATOM 1254 C4' DC D 14 -17.613 -41.438 -16.320 1.00 59.41 C ATOM 1255 O4' DC D 14 -17.251 -40.218 -15.610 1.00 58.74 O ATOM 1256 C3' DC D 14 -17.422 -41.135 -17.815 1.00 59.92 C ATOM 1257 O3' DC D 14 -18.693 -40.955 -18.422 1.00 61.80 O ATOM 1258 C2' DC D 14 -16.614 -39.834 -17.809 1.00 58.44 C ATOM 1259 C1' DC D 14 -17.156 -39.171 -16.547 1.00 57.15 C ATOM 1260 N1 DC D 14 -16.294 -38.058 -15.980 1.00 54.02 N ATOM 1261 C2 DC D 14 -16.902 -36.940 -15.358 1.00 52.31 C ATOM 1262 O2 DC D 14 -18.133 -36.881 -15.275 1.00 52.00 O ATOM 1263 N3 DC D 14 -16.109 -35.949 -14.869 1.00 51.62 N ATOM 1264 C4 DC D 14 -14.771 -36.047 -14.965 1.00 51.84 C ATOM 1265 N4 DC D 14 -14.031 -35.046 -14.474 1.00 51.91 N ATOM 1266 C5 DC D 14 -14.137 -37.167 -15.586 1.00 52.30 C ATOM 1267 C6 DC D 14 -14.926 -38.125 -16.097 1.00 53.11 C ATOM 1268 P DG D 15 -18.967 -41.426 -19.935 1.00 62.50 P ATOM 1269 OP1 DG D 15 -19.062 -42.910 -19.952 1.00 62.68 O ATOM 1270 OP2 DG D 15 -17.993 -40.735 -20.822 1.00 61.89 O ATOM 1271 O5' DG D 15 -20.418 -40.811 -20.222 1.00 61.84 O ATOM 1272 C5' DG D 15 -21.376 -40.657 -19.163 1.00 60.83 C ATOM 1273 C4' DG D 15 -21.949 -39.250 -19.153 1.00 60.11 C ATOM 1274 O4' DG D 15 -20.998 -38.341 -18.538 1.00 58.96 O ATOM 1275 C3' DG D 15 -22.270 -38.670 -20.530 1.00 60.58 C ATOM 1276 O3' DG D 15 -23.601 -38.148 -20.544 1.00 62.95 O ATOM 1277 C2' DG D 15 -21.209 -37.579 -20.743 1.00 58.70 C ATOM 1278 C1' DG D 15 -20.867 -37.166 -19.319 1.00 56.45 C ATOM 1279 N9 DG D 15 -19.493 -36.671 -19.152 1.00 51.32 N ATOM 1280 C8 DG D 15 -18.334 -37.334 -19.488 1.00 49.87 C ATOM 1281 N7 DG D 15 -17.247 -36.703 -19.138 1.00 48.63 N ATOM 1282 C5 DG D 15 -17.707 -35.573 -18.479 1.00 47.44 C ATOM 1283 C6 DG D 15 -16.984 -34.506 -17.885 1.00 46.40 C ATOM 1284 O6 DG D 15 -15.754 -34.370 -17.793 1.00 47.14 O ATOM 1285 N1 DG D 15 -17.836 -33.521 -17.377 1.00 45.07 N ATOM 1286 C2 DG D 15 -19.212 -33.579 -17.410 1.00 44.87 C ATOM 1287 N2 DG D 15 -19.862 -32.549 -16.863 1.00 45.00 N ATOM 1288 N3 DG D 15 -19.901 -34.562 -17.977 1.00 45.96 N ATOM 1289 C4 DG D 15 -19.089 -35.532 -18.482 1.00 48.01 C ATOM 1290 P DC D 16 -24.318 -37.762 -21.937 1.00 64.50 P ATOM 1291 OP1 DC D 16 -25.776 -38.005 -21.781 1.00 65.16 O ATOM 1292 OP2 DC D 16 -23.578 -38.415 -23.049 1.00 65.05 O ATOM 1293 O5' DC D 16 -24.052 -36.177 -22.032 1.00 63.56 O ATOM 1294 C5' DC D 16 -24.618 -35.301 -21.047 1.00 62.39 C ATOM 1295 C4' DC D 16 -23.882 -33.974 -20.983 1.00 60.98 C ATOM 1296 O4' DC D 16 -22.494 -34.182 -20.682 1.00 59.66 O ATOM 1297 C3' DC D 16 -23.875 -33.169 -22.271 1.00 61.16 C ATOM 1298 O3' DC D 16 -24.965 -32.242 -22.255 1.00 62.51 O ATOM 1299 C2' DC D 16 -22.501 -32.457 -22.262 1.00 59.53 C ATOM 1300 C1' DC D 16 -21.819 -32.994 -21.007 1.00 57.50 C ATOM 1301 N1 DC D 16 -20.337 -33.278 -21.176 1.00 53.34 N ATOM 1302 C2 DC D 16 -19.395 -32.386 -20.634 1.00 51.82 C ATOM 1303 O2 DC D 16 -19.787 -31.373 -20.041 1.00 51.90 O ATOM 1304 N3 DC D 16 -18.073 -32.661 -20.770 1.00 50.68 N ATOM 1305 C4 DC D 16 -17.674 -33.766 -21.407 1.00 50.16 C ATOM 1306 N4 DC D 16 -16.359 -33.997 -21.482 1.00 49.73 N ATOM 1307 C5 DC D 16 -18.611 -34.693 -21.968 1.00 50.54 C ATOM 1308 C6 DC D 16 -19.918 -34.403 -21.847 1.00 51.56 C ATOM 1309 P DA D 17 -25.272 -31.297 -23.523 1.00 62.24 P ATOM 1310 OP1 DA D 17 -26.726 -31.018 -23.538 1.00 62.86 O ATOM 1311 OP2 DA D 17 -24.617 -31.889 -24.718 1.00 62.42 O ATOM 1312 O5' DA D 17 -24.500 -29.956 -23.142 1.00 60.38 O ATOM 1313 C5' DA D 17 -24.791 -29.275 -21.920 1.00 58.78 C ATOM 1314 C4' DA D 17 -23.963 -28.001 -21.797 1.00 57.39 C ATOM 1315 O4' DA D 17 -22.570 -28.339 -21.577 1.00 56.16 O ATOM 1316 C3' DA D 17 -24.000 -27.071 -23.009 1.00 57.20 C ATOM 1317 O3' DA D 17 -24.183 -25.711 -22.580 1.00 57.82 O ATOM 1318 C2' DA D 17 -22.644 -27.295 -23.697 1.00 56.02 C ATOM 1319 C1' DA D 17 -21.737 -27.704 -22.535 1.00 54.13 C ATOM 1320 N9 DA D 17 -20.683 -28.658 -22.912 1.00 49.45 N ATOM 1321 C8 DA D 17 -20.852 -29.853 -23.550 1.00 47.75 C ATOM 1322 N7 DA D 17 -19.747 -30.534 -23.715 1.00 46.44 N ATOM 1323 C5 DA D 17 -18.779 -29.741 -23.132 1.00 45.54 C ATOM 1324 C6 DA D 17 -17.386 -29.901 -22.991 1.00 44.18 C ATOM 1325 N6 DA D 17 -16.725 -30.967 -23.442 1.00 44.54 N ATOM 1326 N1 DA D 17 -16.696 -28.918 -22.385 1.00 44.52 N ATOM 1327 C2 DA D 17 -17.359 -27.834 -21.945 1.00 45.98 C ATOM 1328 N3 DA D 17 -18.671 -27.568 -22.015 1.00 47.11 N ATOM 1329 C4 DA D 17 -19.331 -28.570 -22.643 1.00 47.15 C ATOM 1330 P DT D 18 -24.554 -24.557 -23.641 1.00 57.78 P ATOM 1331 OP1 DT D 18 -25.274 -23.475 -22.928 1.00 57.81 O ATOM 1332 OP2 DT D 18 -25.172 -25.197 -24.823 1.00 57.55 O ATOM 1333 O5' DT D 18 -23.113 -24.013 -24.057 1.00 56.83 O ATOM 1334 C5' DT D 18 -22.233 -23.505 -23.051 1.00 55.12 C ATOM 1335 C4' DT D 18 -20.806 -23.444 -23.551 1.00 52.87 C ATOM 1336 O4' DT D 18 -20.303 -24.774 -23.773 1.00 51.42 O ATOM 1337 C3' DT D 18 -20.616 -22.716 -24.885 1.00 51.88 C ATOM 1338 O3' DT D 18 -20.087 -21.435 -24.656 1.00 52.94 O ATOM 1339 C2' DT D 18 -19.633 -23.603 -25.668 1.00 50.90 C ATOM 1340 C1' DT D 18 -19.204 -24.638 -24.630 1.00 49.51 C ATOM 1341 N1 DT D 18 -18.808 -25.988 -25.189 1.00 45.92 N ATOM 1342 C2 DT D 18 -17.491 -26.412 -25.051 1.00 44.25 C ATOM 1343 O2 DT D 18 -16.625 -25.755 -24.489 1.00 43.95 O ATOM 1344 N3 DT D 18 -17.234 -27.664 -25.551 1.00 43.38 N ATOM 1345 C4 DT D 18 -18.116 -28.503 -26.213 1.00 43.86 C ATOM 1346 O4 DT D 18 -17.722 -29.607 -26.597 1.00 43.99 O ATOM 1347 C5 DT D 18 -19.475 -27.993 -26.357 1.00 44.70 C ATOM 1348 C7 DT D 18 -20.527 -28.818 -27.049 1.00 45.48 C ATOM 1349 C6 DT D 18 -19.754 -26.778 -25.840 1.00 45.08 C TER 1350 DT D 18 HETATM 1351 ZN ZN A 201 -7.381 -12.199 1.555 1.00 45.75 ZN2+ HETATM 1352 CL CL A 202 -27.663 -17.416 4.482 1.00 36.92 CL HETATM 1353 CL CL A 203 -8.194 -25.607 6.388 1.00 53.08 CL HETATM 1354 CL CL A 204 -10.076 -14.517 -6.456 1.00 80.25 CL HETATM 1355 CL CL A 205 -30.908 -23.588 1.234 1.00 77.64 CL HETATM 1356 C1 PEG A 206 -2.434 -14.023 6.122 1.00 81.24 C HETATM 1357 O1 PEG A 206 -2.840 -12.894 6.875 1.00 80.90 O HETATM 1358 C2 PEG A 206 -2.723 -15.308 6.832 1.00 81.20 C HETATM 1359 O2 PEG A 206 -1.659 -16.226 6.616 1.00 81.50 O HETATM 1360 C3 PEG A 206 -2.078 -17.495 6.130 1.00 81.56 C HETATM 1361 C4 PEG A 206 -0.906 -18.238 5.569 1.00 81.51 C HETATM 1362 O4 PEG A 206 -1.163 -19.627 5.471 1.00 81.43 O HETATM 1363 C1 PEG A 207 -2.610 -24.799 -6.908 1.00 66.04 C HETATM 1364 O1 PEG A 207 -3.737 -24.312 -7.628 1.00 66.14 O HETATM 1365 C2 PEG A 207 -1.338 -24.412 -7.597 1.00 64.68 C HETATM 1366 O2 PEG A 207 -0.228 -25.194 -7.162 1.00 64.46 O HETATM 1367 C3 PEG A 207 0.341 -26.011 -8.182 1.00 64.25 C HETATM 1368 C4 PEG A 207 0.847 -25.175 -9.334 1.00 65.93 C HETATM 1369 O4 PEG A 207 1.267 -25.967 -10.428 1.00 66.68 O HETATM 1370 C1 EDO D 101 -10.707 -37.819 0.516 1.00 49.78 C HETATM 1371 O1 EDO D 101 -11.615 -37.108 1.337 1.00 48.33 O HETATM 1372 C2 EDO D 101 -9.293 -37.832 1.143 1.00 53.75 C HETATM 1373 O2 EDO D 101 -8.737 -36.522 1.079 1.00 54.74 O HETATM 1374 CA CA D 102 -22.422 -42.264 11.905 1.00110.68 CA2+ HETATM 1375 CA CA D 103 -20.168 -38.030 -15.515 1.00 98.04 CA2+ HETATM 1376 CA CA D 104 -22.331 -34.602 -17.647 1.00112.46 CA2+ HETATM 1377 CA CA D 105 -21.723 -29.996 -19.101 1.00115.61 CA2+ HETATM 1378 CA CA D 106 -18.718 -32.616 -24.571 1.00100.93 CA2+ HETATM 1379 O HOH A 301 -20.333 -28.454 8.742 1.00 38.59 O HETATM 1380 O HOH A 302 -5.691 -13.024 9.672 1.00 42.83 O HETATM 1381 O HOH A 303 -15.065 -24.542 5.667 1.00 31.04 O HETATM 1382 O HOH A 304 -31.143 -26.931 3.902 1.00 44.02 O HETATM 1383 O HOH A 305 -15.268 -14.847 0.661 1.00 34.71 O HETATM 1384 O HOH A 306 -25.690 -23.743 -2.018 1.00 59.92 O HETATM 1385 O HOH A 307 -26.773 -15.244 2.124 1.00 34.94 O HETATM 1386 O HOH A 308 -23.336 -19.694 0.874 1.00 36.98 O HETATM 1387 O HOH A 309 -0.531 -22.279 1.463 1.00 49.63 O HETATM 1388 O HOH A 310 -27.112 -8.637 -2.786 1.00 66.10 O HETATM 1389 O HOH A 311 -6.860 -24.946 12.935 1.00 61.25 O HETATM 1390 O HOH A 312 -3.293 -10.643 5.400 1.00 57.38 O HETATM 1391 O HOH A 313 -28.315 -10.716 9.172 1.00 58.88 O HETATM 1392 O HOH A 314 -28.213 -8.729 1.446 1.00 64.27 O HETATM 1393 O HOH A 315 -10.326 -26.565 3.726 1.00 37.75 O HETATM 1394 O HOH A 316 -0.232 -17.317 15.210 1.00 72.39 O HETATM 1395 O HOH A 317 -17.398 -28.534 4.915 1.00 35.47 O HETATM 1396 O HOH A 318 -22.836 -9.367 7.020 1.00 57.24 O HETATM 1397 O HOH A 319 -14.312 -28.276 9.411 1.00 39.38 O HETATM 1398 O HOH A 320 -5.283 -19.046 -3.208 1.00 37.14 O HETATM 1399 O HOH A 321 -20.561 -27.701 -8.031 1.00 42.48 O HETATM 1400 O HOH A 322 -8.527 -24.059 -8.217 1.00 53.85 O HETATM 1401 O HOH A 323 -21.045 -34.827 -3.275 1.00 39.79 O HETATM 1402 O HOH A 324 -27.841 -29.026 1.789 1.00 49.01 O HETATM 1403 O HOH A 325 -7.584 -8.456 10.634 1.00 51.76 O HETATM 1404 O HOH A 326 -15.035 -32.557 -6.553 1.00 48.72 O HETATM 1405 O HOH A 327 -29.593 -16.781 11.232 1.00 50.78 O HETATM 1406 O HOH A 328 -18.167 -15.439 -8.389 1.00 57.97 O HETATM 1407 O HOH A 329 -32.100 -17.828 10.900 1.00 50.97 O HETATM 1408 O HOH A 330 -3.202 -9.577 -4.740 1.00 51.25 O HETATM 1409 O HOH A 331 -11.029 -25.191 -2.206 1.00 39.43 O HETATM 1410 O HOH A 332 -19.360 -21.738 -6.528 1.00 38.70 O HETATM 1411 O HOH A 333 -5.771 -11.184 14.376 1.00 59.35 O HETATM 1412 O HOH A 334 -18.615 -4.725 -3.844 1.00 45.42 O HETATM 1413 O HOH A 335 -7.694 -26.327 -7.072 1.00 45.72 O HETATM 1414 O HOH A 336 -23.763 -21.081 -1.386 1.00 43.35 O HETATM 1415 O HOH A 337 -23.332 -6.813 5.806 1.00 63.41 O HETATM 1416 O HOH A 338 -11.709 -25.609 0.395 1.00 35.34 O HETATM 1417 O HOH A 339 -24.486 -6.364 1.819 1.00 68.30 O HETATM 1418 O HOH A 340 -16.478 -3.168 -7.260 1.00 56.25 O HETATM 1419 O HOH A 341 -21.722 -6.125 1.575 1.00 69.20 O HETATM 1420 O HOH A 342 -20.896 -4.140 -0.432 1.00 54.39 O HETATM 1421 O HOH A 343 -21.435 -5.698 4.252 1.00 67.49 O HETATM 1422 O HOH A 344 -17.061 -17.863 -9.168 1.00 35.34 O HETATM 1423 O HOH A 345 -27.114 -8.453 8.274 1.00 57.95 O HETATM 1424 O HOH A 346 -2.965 -20.126 16.633 1.00 67.83 O HETATM 1425 O HOH A 347 -17.013 -12.375 -16.182 1.00 75.32 O HETATM 1426 O HOH A 348 0.640 -28.336 -6.382 1.00 69.38 O HETATM 1427 O HOH A 349 -14.452 -12.642 -13.592 1.00 59.97 O HETATM 1428 O HOH A 350 -26.654 -8.086 12.362 1.00 62.18 O HETATM 1429 O HOH A 351 -25.914 -17.882 1.519 1.00 39.62 O HETATM 1430 O HOH A 352 -30.591 -9.241 4.732 1.00 64.39 O HETATM 1431 O HOH A 353 -24.082 -17.261 22.187 1.00 59.51 O HETATM 1432 O HOH A 354 -28.308 -28.048 4.289 1.00 41.00 O HETATM 1433 O HOH A 355 -10.441 -33.535 -7.391 1.00 50.77 O HETATM 1434 O HOH A 356 -0.827 -10.732 -5.436 1.00 60.31 O HETATM 1435 O HOH A 357 -19.431 -20.006 -8.616 1.00 55.67 O HETATM 1436 O HOH A 358 -31.478 -13.815 -2.909 1.00 60.63 O HETATM 1437 O HOH A 359 -23.007 -24.181 -2.149 1.00 45.55 O HETATM 1438 O HOH A 360 -11.971 -29.459 9.948 1.00 53.68 O HETATM 1439 O HOH A 361 -16.477 -29.675 10.262 1.00 55.08 O HETATM 1440 O HOH A 362 -10.680 -29.718 7.563 1.00 66.63 O HETATM 1441 O HOH D 201 -11.913 -27.807 1.946 1.00 41.94 O HETATM 1442 O HOH D 202 -20.946 -40.113 1.181 1.00 35.92 O HETATM 1443 O HOH D 203 -22.510 -49.433 7.885 1.00 44.20 O HETATM 1444 O HOH D 204 -14.354 -29.145 4.704 1.00 42.30 O HETATM 1445 O HOH D 205 -6.454 -41.065 -4.402 1.00 57.93 O HETATM 1446 O HOH D 206 -11.026 -32.235 -4.867 1.00 37.27 O HETATM 1447 O HOH D 207 -12.651 -40.207 -17.045 1.00 68.23 O HETATM 1448 O HOH D 208 -20.109 -52.651 10.363 1.00 68.43 O HETATM 1449 O HOH D 209 -16.615 -35.744 6.516 1.00 38.13 O HETATM 1450 O HOH D 210 -5.257 -31.693 -1.148 1.00 54.99 O HETATM 1451 O HOH D 211 -14.399 -54.252 20.179 1.00 78.11 O HETATM 1452 O HOH D 212 -10.191 -38.898 -13.286 1.00 58.45 O HETATM 1453 O HOH D 213 -22.778 -31.703 7.119 1.00 52.91 O HETATM 1454 O HOH D 214 -19.196 -52.256 18.213 1.00 56.76 O HETATM 1455 O HOH D 215 -5.480 -55.673 22.130 1.00 64.57 O HETATM 1456 O HOH D 216 -14.470 -42.503 -8.059 1.00 49.92 O HETATM 1457 O HOH D 217 -13.171 -35.885 3.292 1.00 39.92 O HETATM 1458 O HOH D 218 -22.721 -45.832 13.794 1.00 63.19 O HETATM 1459 O HOH D 219 -19.337 -29.789 6.644 1.00 42.61 O HETATM 1460 O HOH D 220 -14.933 -49.323 11.331 1.00 65.88 O HETATM 1461 O HOH D 221 -11.790 -40.922 -4.915 1.00 40.99 O HETATM 1462 O HOH D 222 -14.936 -30.843 -2.213 1.00 30.54 O HETATM 1463 O HOH D 223 -12.721 -33.085 -9.623 1.00 54.74 O HETATM 1464 O HOH D 224 -13.658 -32.259 -4.153 1.00 35.82 O HETATM 1465 O HOH D 225 -20.395 -45.182 6.207 1.00 42.92 O HETATM 1466 O HOH D 226 -21.547 -36.572 -24.033 1.00 57.35 O HETATM 1467 O HOH D 227 -13.133 -47.491 12.253 1.00 55.57 O HETATM 1468 O HOH D 228 -8.877 -30.624 1.165 1.00 47.38 O HETATM 1469 O HOH D 229 -8.472 -32.482 3.088 1.00 57.51 O HETATM 1470 O HOH D 230 -17.834 -31.272 8.293 1.00 53.22 O CONECT 417 1351 CONECT 788 1351 CONECT 883 1351 CONECT 924 1351 CONECT 1262 1375 CONECT 1274 1375 CONECT 1296 1376 CONECT 1303 1377 CONECT 1315 1377 CONECT 1351 417 788 883 924 CONECT 1356 1357 1358 CONECT 1357 1356 CONECT 1358 1356 1359 CONECT 1359 1358 1360 CONECT 1360 1359 1361 CONECT 1361 1360 1362 CONECT 1362 1361 CONECT 1363 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 CONECT 1366 1365 1367 CONECT 1367 1366 1368 CONECT 1368 1367 1369 CONECT 1369 1368 CONECT 1370 1371 1372 CONECT 1371 1370 CONECT 1372 1370 1373 CONECT 1373 1372 CONECT 1375 1262 1274 CONECT 1376 1296 CONECT 1377 1303 1315 MASTER 396 0 13 6 6 0 14 6 1468 2 31 13 END
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Related entries of code: 5mey
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5mey
Complex Type
Protein-Nucleic Acid
PDBbind Subset
general set
Protein Name
MH1 domain of human Smad4 (Smad4-MH1)
Ligand Name
DNA with GGCGC site
EC.Number
E.C.-.-.-.-
Resolution
2.05(Å)
Affinity (Kd/Ki/IC50)
Kd=160nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nat Commun Vol. 8: pp. 2070-2070
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):
Q13485
Entrez Gene ID
NCBI Entrez Gene ID:
4089
ASD
Information of known allosteric effects of PDB entries
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