09 SeeSAR Affinity Initial compound Secondary AminesLibrary NHyde pKi + Oral Non CNS Scoring ProfileHFlexX + Oral Non CNS Scoring ProfileCount vs Name<Custom>HSP90 ScoreHSP90 Activity HSP90-FlexX+hERGLibrary SeeSAR Initial compound2 Initial compoundYRTL{xˑMAu@{∻Au@{∻Structure<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <RemoveSalts>1</RemoveSalts> <UseFileDiagramCoords>True</UseFileDiagramCoords> <CombineConformers>False</CombineConformers> </Rule> </Rule> ^Q$Fó;G&@6FlexX Score 2XJX XJX_A_1232CiHEADER CHAPERONE 06-JUL-10 2XJX TITLE STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 9-236; COMPND 5 SYNONYM: HSP90, HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA COMPND 6 ANTIGEN NY-REN-38; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS CHAPERONE, ATP BINDING DOMAIN, STRESS RESPONSE EXPDTA X-RAY DIFFRACTION AUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWAN, AUTHOR 2 J.E.COYLE,R.DOWNHAM,E.FIGUEROA,M.FREDERICKSON,B.GRAHAM,R.MCMENAMIN, AUTHOR 3 M.A.OBRIEN,S.PATEL,T.R.PHILLIPS,G.WILLIAMS,A.J.WOODHEAD, AUTHOR 4 A.J.A.WOOLFORD REVDAT 4 18-FEB-15 2XJX 1 AUTHOR HETNAM HETSYN FORMUL REVDAT 3 24-APR-13 2XJX 1 TITLE REMARK VERSN REVDAT 2 13-JUL-11 2XJX 1 JRNL REMARK REVDAT 1 11-AUG-10 2XJX 0 JRNL AUTH A.J.WOODHEAD,H.ANGOVE,M.G.CARR,G.CHESSARI,M.CONGREVE, JRNL AUTH 2 J.E.COYLE,J.COSME,B.GRAHAM,P.J.DAY,R.DOWNHAM,L.FAZAL, JRNL AUTH 3 R.FELTELL,E.FIGUEROA,M.FREDERICKSON,J.LEWIS,R.MCMENAMIN, JRNL AUTH 4 C.W.MURRAY,M.A.O'BRIEN,L.PARRA,S.PATEL,T.PHILLIPS,D.C.REES, JRNL AUTH 5 S.RICH,D.M.SMITH,G.TREWARTHA,M.VINKOVIC,B.WILLIAMS, JRNL AUTH 6 A.J.WOOLFORD JRNL TITL DISCOVERY OF (2,4-DIHYDROXY-5-ISOPROPYLPHENYL)-[5- JRNL TITL 2 (4-METHYLPIPERAZIN-1-YLMETHYL)-1,3-DIHYDROISOINDOL- JRNL TITL 3 2-YL]METHANONE (AT13387), A NOVEL INHIBITOR OF THE JRNL TITL 4 MOLECULAR CHAPERONE HSP90 BY FRAGMENT BASED DRUG DESIGN. JRNL REF J.MED.CHEM. V. 53 5956 2010 JRNL REFN ISSN 0022-2623 JRNL PMID 20662534 JRNL DOI 10.1021/JM100060B REMARK 2 REMARK 2 RESOLUTION. 1.66 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER-TNT 2.5.1 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK, REMARK 3 : MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.99 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.46 REMARK 3 NUMBER OF REFLECTIONS : 20155 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) : 0.1577 REMARK 3 R VALUE (WORKING SET) : 0.1550 REMARK 3 FREE R VALUE : 0.2076 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 REMARK 3 FREE R VALUE TEST SET COUNT : 1012 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 9 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 1.76 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.46 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 3164 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.1968 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3010 REMARK 3 BIN R VALUE (WORKING SET) : 0.1948 REMARK 3 BIN FREE R VALUE : 0.2332 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.87 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 154 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1765 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 30 REMARK 3 SOLVENT ATOMS : 198 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.279 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.03 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.08742065 REMARK 3 B22 (A**2) : 0.13840185 REMARK 3 B33 (A**2) : 0.94901880 REMARK 3 B12 (A**2) : 0.00000000 REMARK 3 B13 (A**2) : -6.93572824 REMARK 3 B23 (A**2) : 0.00000000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : NULL REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : NULL 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 : NULL REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : NULL ; NULL ; NULL REMARK 3 BOND ANGLES : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS : NULL ; NULL ; NULL REMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULL REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : NULL ; NULL ; NULL 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 : NULL ; NULL ; NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.394 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULL REMARK 3 OTHER TORSION ANGLES (DEGREES) : 16.228 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2XJX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-JUL-10. REMARK 100 THE PDBE ID CODE IS EBI-44517. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID23-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD (QUANTUM 315R) REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20868 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.66 REMARK 200 RESOLUTION RANGE LOW (A) : 43.99 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 200 DATA REDUNDANCY : 3.3 REMARK 200 R MERGE (I) : 0.06 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NONE REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 22.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.59 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 20.52500 REMARK 290 SMTRY3 2 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: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -12 REMARK 465 GLY A -11 REMARK 465 SER A -10 REMARK 465 SER A -9 REMARK 465 HIS A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 SER A -2 REMARK 465 SER A -1 REMARK 465 GLY A 0 REMARK 465 LEU A 1 REMARK 465 VAL A 2 REMARK 465 PRO A 3 REMARK 465 ARG A 4 REMARK 465 GLY A 5 REMARK 465 SER A 6 REMARK 465 HIS A 7 REMARK 465 MET A 8 REMARK 465 ASP A 9 REMARK 465 GLN A 10 REMARK 465 ASP A 232 REMARK 465 ASP A 233 REMARK 465 GLU A 234 REMARK 465 ALA A 235 REMARK 465 GLU A 236 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 MET A 12 -95.77 62.23 REMARK 500 THR A 94 41.19 -108.29 REMARK 500 ALA A 166 -141.17 65.43 REMARK 500 GLU A 178 107.58 -48.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE XJX A1232 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2CDD RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO- REMARK 900 BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H- REMARK 900 PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 1YES RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "OPEN REMARK 900 " CONFORMATION REMARK 900 RELATED ID: 1UY9 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1BYQ RELATED DB: PDB REMARK 900 HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG REMARK 900 RELATED ID: 2BSM RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1OSF RELATED DB: PDB REMARK 900 HUMAN HSP90 IN COMPLEX WITH 17-DESMETHOXY- REMARK 900 17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN REMARK 900 RELATED ID: 2WI3 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY8 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3- REMARK 900 TRIMETHOXY-BENZYL)-9H-PURIN-6YLAMINE REMARK 900 RELATED ID: 2BUG RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE TPR DOMAIN FROM REMARK 900 PROTEIN PHOSPHATASE 5 IN COMPLEX WITH HSP90 REMARK 900 DERIVED PEPTIDE REMARK 900 RELATED ID: 2WI4 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2UWD RELATED DB: PDB REMARK 900 INHIBITION OF THE HSP90 MOLECULAR CHAPERONE REMARK 900 IN VITRO AND IN VIVO BY NOVEL, SYNTHETIC REMARK 900 , POTENT RESORCINYLIC PYRAZOLE, ISOXAZOLE AMIDE REMARK 900 ANALOGS REMARK 900 RELATED ID: 2XHX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI7 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2BT0 RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1YER RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, " REMARK 900 CLOSED" CONFORMATION REMARK 900 RELATED ID: 2XDU RELATED DB: PDB REMARK 900 STRUCTUE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYG RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2BZ5 RELATED DB: PDB REMARK 900 STRUCTURE-BASED DISCOVERY OF A NEW CLASS REMARK 900 OF HSP90 INHIBITORS REMARK 900 RELATED ID: 2CCU RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4- REMARK 900 METHANESULPHONYL-BENZYL)-PIERAZIN-1-YL)-1H- REMARK 900 PYRAZOL-3-YL)-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 2XDS RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2XDX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2CCS RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN- REMARK 900 1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL REMARK 900 RELATED ID: 1UYF RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4- REMARK 900 YLNYL-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YC3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 1UYI RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1UYD RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2- REMARK 900 CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN- REMARK 900 6-YLAMINE REMARK 900 RELATED ID: 2BYI RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2XDL RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI2 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY6 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2VCI RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 2WI1 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2VCJ RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 1YC4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2C2L RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE CHIP U-BOX E3 REMARK 900 UBIQUITIN LIGASE REMARK 900 RELATED ID: 2FWZ RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H71 REMARK 900 RELATED ID: 2XDK RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYH RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 2XJG RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYK RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2CCT RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 5-(5-CHLORO-2,4- REMARK 900 DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL-2H- REMARK 900 PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE REMARK 900 RELATED ID: 2FWY RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H64 REMARK 900 RELATED ID: 1UYL RELATED DB: PDB REMARK 900 STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE- REMARK 900 BASED INHIBITOR BINDING TO HSP90 ISOFORMS REMARK 900 RELATED ID: 1UYE RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2WI6 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XAB RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND REMARK 900 RELATED ID: 1YC1 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2XHR RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYC RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2XHT RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UY7 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(4- REMARK 900 METHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YET RELATED DB: PDB REMARK 900 GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN- REMARK 900 BINDING DOMAIN REMARK 900 RELATED ID: 2JJC RELATED DB: PDB REMARK 900 HSP90 ALPHA ATPASE DOMAIN WITH BOUND SMALL REMARK 900 MOLECULE FRAGMENT REMARK 900 RELATED ID: 2BYH RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2WI5 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XJJ RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND DBREF 2XJX A 9 236 UNP P07900 HS90A_HUMAN 9 236 SEQADV 2XJX MET A -12 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A -11 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -10 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -9 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -8 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -7 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -5 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -4 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -3 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -2 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -1 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 0 UNP P07900 EXPRESSION TAG SEQADV 2XJX LEU A 1 UNP P07900 EXPRESSION TAG SEQADV 2XJX VAL A 2 UNP P07900 EXPRESSION TAG SEQADV 2XJX PRO A 3 UNP P07900 EXPRESSION TAG SEQADV 2XJX ARG A 4 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 5 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A 6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A 7 UNP P07900 EXPRESSION TAG SEQADV 2XJX MET A 8 UNP P07900 EXPRESSION TAG SEQRES 1 A 249 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 249 LEU VAL PRO ARG GLY SER HIS MET ASP GLN PRO MET GLU SEQRES 3 A 249 GLU GLU GLU VAL GLU THR PHE ALA PHE GLN ALA GLU ILE SEQRES 4 A 249 ALA GLN LEU MET SER LEU ILE ILE ASN THR PHE TYR SER SEQRES 5 A 249 ASN LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN SER SEQRES 6 A 249 SER ASP ALA LEU ASP LYS ILE ARG TYR GLU SER LEU THR SEQRES 7 A 249 ASP PRO SER LYS LEU ASP SER GLY LYS GLU LEU HIS ILE SEQRES 8 A 249 ASN LEU ILE PRO ASN LYS GLN ASP ARG THR LEU THR ILE SEQRES 9 A 249 VAL ASP THR GLY ILE GLY MET THR LYS ALA ASP LEU ILE SEQRES 10 A 249 ASN ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA SEQRES 11 A 249 PHE MET GLU ALA LEU GLN ALA GLY ALA ASP ILE SER MET SEQRES 12 A 249 ILE GLY GLN PHE GLY VAL GLY PHE TYR SER ALA TYR LEU SEQRES 13 A 249 VAL ALA GLU LYS VAL THR VAL ILE THR LYS HIS ASN ASP SEQRES 14 A 249 ASP GLU GLN TYR ALA TRP GLU SER SER ALA GLY GLY SER SEQRES 15 A 249 PHE THR VAL ARG THR ASP THR GLY GLU PRO MET GLY ARG SEQRES 16 A 249 GLY THR LYS VAL ILE LEU HIS LEU LYS GLU ASP GLN THR SEQRES 17 A 249 GLU TYR LEU GLU GLU ARG ARG ILE LYS GLU ILE VAL LYS SEQRES 18 A 249 LYS HIS SER GLN PHE ILE GLY TYR PRO ILE THR LEU PHE SEQRES 19 A 249 VAL GLU LYS GLU ARG ASP LYS GLU VAL SER ASP ASP GLU SEQRES 20 A 249 ALA GLU HET XJX A1232 30 HETNAM XJX ONALESPIB HETSYN XJX AT13387 FORMUL 2 XJX C24 H31 N3 O3 FORMUL 3 HOH *198(H2 O) HELIX 1 1 GLN A 23 THR A 36 1 14 HELIX 2 2 GLU A 42 ASP A 66 1 25 HELIX 3 3 PRO A 67 ASP A 71 5 5 HELIX 4 4 THR A 99 LEU A 107 1 9 HELIX 5 5 GLY A 114 ALA A 124 1 11 HELIX 6 6 ASP A 127 GLN A 133 5 7 HELIX 7 7 VAL A 136 TYR A 139 5 4 HELIX 8 8 SER A 140 VAL A 144 1 5 HELIX 9 9 GLU A 192 LEU A 198 5 7 HELIX 10 10 GLU A 199 SER A 211 1 13 HELIX 11 11 ASP A 227 SER A 231 5 5 SHEET 1 AA 8 VAL A 17 ALA A 21 0 SHEET 2 AA 8 SER A 169 THR A 174 -1 O PHE A 170 N PHE A 20 SHEET 3 AA 8 TYR A 160 SER A 164 -1 O ALA A 161 N ARG A 173 SHEET 4 AA 8 ALA A 145 LYS A 153 -1 O VAL A 148 N SER A 164 SHEET 5 AA 8 GLY A 183 LEU A 190 -1 O GLY A 183 N LYS A 153 SHEET 6 AA 8 THR A 88 ASP A 93 -1 O LEU A 89 N LEU A 188 SHEET 7 AA 8 ILE A 78 ASN A 83 -1 O ASN A 79 N VAL A 92 SHEET 8 AA 8 ILE A 218 LEU A 220 1 O THR A 219 N LEU A 80 SITE 1 AC1 13 LEU A 48 ASN A 51 ASP A 54 ALA A 55 SITE 2 AC1 13 ASP A 93 GLY A 97 MET A 98 PHE A 138 SITE 3 AC1 13 THR A 184 VAL A 186 HOH A2039 HOH A2084 SITE 4 AC1 13 HOH A2198 CRYST1 44.950 41.050 49.230 90.00 101.86 90.00 P 1 21 1 2 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 0.022247 0.000000 0.004672 0.00000 SCALE2 0.000000 0.024361 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020756 0.00000 ATOM 1 N PRO A 11 34.268 9.815 30.997 1.00 53.18 N ATOM 2 CA PRO A 11 35.333 9.029 30.391 1.00 53.05 C ATOM 3 C PRO A 11 35.173 7.572 30.734 1.00 58.99 C ATOM 4 O PRO A 11 34.075 7.011 30.638 1.00 59.78 O ATOM 5 CB PRO A 11 36.579 9.592 31.063 1.00 55.02 C ATOM 6 CG PRO A 11 36.276 11.053 31.164 1.00 61.02 C ATOM 7 CD PRO A 11 34.741 11.175 31.273 1.00 56.68 C ATOM 8 N MET A 12 36.280 6.963 31.138 1.00 56.59 N ATOM 9 CA MET A 12 36.304 5.556 31.443 1.00 55.84 C ATOM 10 C MET A 12 35.958 4.777 30.172 1.00 48.95 C ATOM 11 O MET A 12 36.817 4.592 29.318 1.00 47.17 O ATOM 12 CB MET A 12 35.368 5.228 32.613 1.00 59.95 C ATOM 13 CG MET A 12 35.944 5.634 33.966 1.00 65.87 C ATOM 14 SD MET A 12 37.665 5.071 34.183 1.00 72.23 S ATOM 15 CE MET A 12 37.408 3.274 34.484 1.00 68.69 C ATOM 16 N GLU A 13 34.694 4.403 30.002 1.00 38.00 N ATOM 17 CA GLU A 13 34.286 3.653 28.814 1.00 34.37 C ATOM 18 C GLU A 13 33.942 4.572 27.644 1.00 28.12 C ATOM 19 O GLU A 13 33.490 5.688 27.832 1.00 23.66 O ATOM 20 CB GLU A 13 33.131 2.733 29.180 1.00 36.29 C ATOM 21 CG GLU A 13 33.462 1.953 30.455 1.00 55.50 C ATOM 22 CD GLU A 13 32.348 1.969 31.491 1.00 85.37 C ATOM 23 OE1 GLU A 13 31.926 3.071 31.911 1.00 81.31 O ATOM 24 OE2 GLU A 13 31.936 0.874 31.928 1.00 84.78 O ATOM 25 N GLU A 14 34.230 4.112 26.439 1.00 22.24 N ATOM 26 CA GLU A 14 34.064 4.930 25.247 1.00 23.44 C ATOM 27 C GLU A 14 33.115 4.251 24.287 1.00 25.21 C ATOM 28 O GLU A 14 33.186 3.046 24.114 1.00 28.26 O ATOM 29 CB GLU A 14 35.417 5.046 24.556 1.00 25.94 C ATOM 30 CG GLU A 14 35.572 6.258 23.720 1.00 42.59 C ATOM 31 CD GLU A 14 36.925 6.873 23.916 1.00 72.19 C ATOM 32 OE1 GLU A 14 37.909 6.304 23.400 1.00 61.56 O ATOM 33 OE2 GLU A 14 37.004 7.888 24.645 1.00 71.65 O ATOM 34 N GLU A 15 32.245 5.020 23.650 1.00 16.92 N ATOM 35 CA GLU A 15 31.290 4.441 22.689 1.00 14.84 C ATOM 36 C GLU A 15 31.198 5.379 21.495 1.00 17.66 C ATOM 37 O GLU A 15 31.109 6.585 21.685 1.00 15.13 O ATOM 38 CB GLU A 15 29.902 4.280 23.303 1.00 16.86 C ATOM 39 CG GLU A 15 28.869 3.644 22.372 1.00 30.46 C ATOM 40 CD GLU A 15 27.534 3.373 23.056 1.00 59.35 C ATOM 41 OE1 GLU A 15 26.822 2.448 22.619 1.00 59.66 O ATOM 42 OE2 GLU A 15 27.199 4.075 24.036 1.00 59.15 O ATOM 43 N GLU A 16 31.252 4.823 20.279 1.00 13.53 N ATOM 44 CA GLU A 16 31.192 5.628 19.080 1.00 13.75 C ATOM 45 C GLU A 16 29.728 6.015 18.940 1.00 17.06 C ATOM 46 O GLU A 16 28.859 5.140 18.930 1.00 15.53 O ATOM 47 CB GLU A 16 31.631 4.788 17.857 1.00 15.57 C ATOM 48 CG GLU A 16 31.384 5.471 16.515 1.00 17.11 C ATOM 49 CD GLU A 16 32.368 6.582 16.208 1.00 16.71 C ATOM 50 OE1 GLU A 16 32.198 7.244 15.131 1.00 16.75 O ATOM 51 OE2 GLU A 16 33.357 6.745 16.991 1.00 17.86 O ATOM 52 N VAL A 17 29.462 7.317 18.821 1.00 14.77 N ATOM 53 CA VAL A 17 28.091 7.816 18.653 1.00 13.55 C ATOM 54 C VAL A 17 28.174 8.956 17.654 1.00 19.92 C ATOM 55 O VAL A 17 28.894 9.919 17.880 1.00 22.07 O ATOM 56 CB VAL A 17 27.520 8.354 19.948 1.00 17.24 C ATOM 57 CG1 VAL A 17 26.086 8.886 19.677 1.00 17.41 C ATOM 58 CG2 VAL A 17 27.491 7.235 21.027 1.00 16.90 C ATOM 59 N GLU A 18 27.484 8.815 16.529 1.00 12.70 N ATOM 60 CA GLU A 18 27.531 9.778 15.448 1.00 11.13 C ATOM 61 C GLU A 18 26.210 10.489 15.285 1.00 16.48 C ATOM 62 O GLU A 18 25.169 9.838 15.268 1.00 16.21 O ATOM 63 CB GLU A 18 27.918 9.049 14.155 1.00 13.19 C ATOM 64 CG GLU A 18 29.302 8.411 14.297 1.00 13.76 C ATOM 65 CD GLU A 18 29.601 7.386 13.207 1.00 23.16 C ATOM 66 OE1 GLU A 18 30.609 6.681 13.344 1.00 22.09 O ATOM 67 OE2 GLU A 18 28.811 7.241 12.254 1.00 16.33 O ATOM 68 N THR A 19 26.274 11.823 15.163 1.00 13.93 N ATOM 69 CA THR A 19 25.083 12.670 15.083 1.00 13.28 C ATOM 70 C THR A 19 24.852 13.119 13.676 1.00 15.74 C ATOM 71 O THR A 19 25.769 13.610 13.024 1.00 15.49 O ATOM 72 CB THR A 19 25.168 13.893 16.052 1.00 19.61 C ATOM 73 OG1 THR A 19 25.319 13.430 17.401 1.00 22.49 O ATOM 74 CG2 THR A 19 23.882 14.669 15.993 1.00 23.06 C ATOM 75 N PHE A 20 23.609 12.931 13.205 1.00 13.17 N ATOM 76 CA PHE A 20 23.242 13.239 11.847 1.00 13.32 C ATOM 77 C PHE A 20 22.000 14.083 11.752 1.00 18.07 C ATOM 78 O PHE A 20 21.149 14.053 12.634 1.00 17.09 O ATOM 79 CB PHE A 20 22.917 11.954 11.083 1.00 13.75 C ATOM 80 CG PHE A 20 24.078 11.038 10.913 1.00 14.08 C ATOM 81 CD1 PHE A 20 24.923 11.166 9.812 1.00 16.16 C ATOM 82 CD2 PHE A 20 24.251 9.971 11.779 1.00 14.18 C ATOM 83 CE1 PHE A 20 26.001 10.286 9.636 1.00 16.43 C ATOM 84 CE2 PHE A 20 25.332 9.087 11.603 1.00 17.49 C ATOM 85 CZ PHE A 20 26.198 9.273 10.533 1.00 15.32 C ATOM 86 N ALA A 21 21.914 14.845 10.659 1.00 14.09 N ATOM 87 CA ALA A 21 20.694 15.556 10.391 1.00 12.29 C ATOM 88 C ALA A 21 19.932 14.681 9.404 1.00 14.40 C ATOM 89 O ALA A 21 20.501 14.140 8.436 1.00 13.70 O ATOM 90 CB ALA A 21 21.010 16.919 9.679 1.00 13.29 C ATOM 91 N PHE A 22 18.628 14.626 9.571 1.00 11.41 N ATOM 92 CA PHE A 22 17.801 14.032 8.559 1.00 10.52 C ATOM 93 C PHE A 22 17.922 14.854 7.290 1.00 12.74 C ATOM 94 O PHE A 22 18.035 16.082 7.342 1.00 14.42 O ATOM 95 CB PHE A 22 16.346 14.080 9.005 1.00 11.04 C ATOM 96 CG PHE A 22 16.004 13.017 9.993 1.00 12.96 C ATOM 97 CD1 PHE A 22 16.042 11.686 9.602 1.00 14.90 C ATOM 98 CD2 PHE A 22 15.721 13.347 11.328 1.00 12.34 C ATOM 99 CE1 PHE A 22 15.732 10.670 10.503 1.00 13.85 C ATOM 100 CE2 PHE A 22 15.410 12.333 12.222 1.00 12.40 C ATOM 101 CZ PHE A 22 15.429 10.995 11.792 1.00 12.11 C ATOM 102 N GLN A 23 17.859 14.172 6.150 1.00 13.82 N ATOM 103 CA GLN A 23 17.842 14.834 4.854 1.00 14.69 C ATOM 104 C GLN A 23 16.627 15.793 4.860 1.00 16.05 C ATOM 105 O GLN A 23 15.614 15.533 5.495 1.00 14.73 O ATOM 106 CB GLN A 23 17.714 13.795 3.746 1.00 15.78 C ATOM 107 CG GLN A 23 17.842 14.356 2.349 1.00 18.18 C ATOM 108 CD GLN A 23 16.508 14.803 1.765 1.00 16.53 C ATOM 109 OE1 GLN A 23 15.435 14.397 2.237 1.00 16.48 O ATOM 110 NE2 GLN A 23 16.569 15.612 0.699 1.00 17.06 N ATOM 111 N ALA A 24 16.806 16.976 4.296 1.00 13.14 N ATOM 112 CA ALA A 24 15.775 18.023 4.429 1.00 14.54 C ATOM 113 C ALA A 24 14.306 17.623 4.171 1.00 15.71 C ATOM 114 O ALA A 24 13.407 18.037 4.911 1.00 15.04 O ATOM 115 CB ALA A 24 16.151 19.267 3.604 1.00 14.76 C ATOM 116 N GLU A 25 14.057 16.832 3.150 1.00 14.35 N ATOM 117 CA GLU A 25 12.661 16.470 2.873 1.00 14.39 C ATOM 118 C GLU A 25 12.149 15.438 3.881 1.00 14.87 C ATOM 119 O GLU A 25 10.977 15.477 4.278 1.00 15.57 O ATOM 120 CB GLU A 25 12.520 16.035 1.411 1.00 16.23 C ATOM 121 CG GLU A 25 12.577 17.269 0.495 1.00 21.45 C ATOM 122 CD GLU A 25 13.228 17.018 -0.846 1.00 44.06 C ATOM 123 OE1 GLU A 25 14.093 16.127 -0.968 1.00 33.22 O ATOM 124 OE2 GLU A 25 12.924 17.792 -1.771 1.00 45.71 O ATOM 125 N ILE A 26 13.041 14.577 4.357 1.00 11.78 N ATOM 126 C ILE A 26 12.293 14.389 6.644 1.00 15.16 C ATOM 127 O ILE A 26 11.321 14.086 7.303 1.00 13.39 O ATOM 128 CA AILE A 26 12.645 13.606 5.385 0.50 11.59 C ATOM 129 CB AILE A 26 13.746 12.547 5.645 0.50 13.98 C ATOM 130 CG1AILE A 26 13.957 11.663 4.402 0.50 14.76 C ATOM 131 CG2AILE A 26 13.412 11.720 6.894 0.50 15.79 C ATOM 132 CD1AILE A 26 12.885 10.618 4.197 0.50 20.10 C ATOM 133 CA BILE A 26 12.639 13.613 5.392 0.50 11.13 C ATOM 134 CB BILE A 26 13.732 12.583 5.691 0.50 13.00 C ATOM 135 CG1BILE A 26 13.927 11.647 4.498 0.50 13.22 C ATOM 136 CG2BILE A 26 13.410 11.822 6.990 0.50 14.70 C ATOM 137 CD1BILE A 26 15.152 10.825 4.633 0.50 8.69 C ATOM 138 N ALA A 27 13.084 15.426 6.961 1.00 14.14 N ATOM 139 CA ALA A 27 12.785 16.239 8.159 1.00 14.19 C ATOM 140 C ALA A 27 11.401 16.940 8.008 1.00 15.82 C ATOM 141 O ALA A 27 10.581 16.977 8.929 1.00 13.51 O ATOM 142 CB ALA A 27 13.921 17.241 8.472 1.00 15.59 C ATOM 143 N GLN A 28 11.150 17.464 6.825 1.00 14.24 N ATOM 144 CA GLN A 28 9.868 18.139 6.553 1.00 13.43 C ATOM 145 C GLN A 28 8.698 17.151 6.731 1.00 15.39 C ATOM 146 O GLN A 28 7.671 17.472 7.320 1.00 16.03 O ATOM 147 CB GLN A 28 9.930 18.590 5.096 1.00 16.53 C ATOM 148 CG GLN A 28 8.721 19.277 4.552 1.00 25.71 C ATOM 149 CD GLN A 28 9.087 20.103 3.314 1.00 39.16 C ATOM 150 OE1 GLN A 28 8.439 21.093 3.014 1.00 48.97 O ATOM 151 NE2 GLN A 28 10.213 19.773 2.689 1.00 21.17 N ATOM 152 N LEU A 29 8.872 15.945 6.214 1.00 11.46 N ATOM 153 CA LEU A 29 7.864 14.888 6.353 1.00 13.17 C ATOM 154 C LEU A 29 7.635 14.510 7.802 1.00 17.59 C ATOM 155 O LEU A 29 6.493 14.387 8.247 1.00 15.55 O ATOM 156 CB LEU A 29 8.294 13.668 5.525 1.00 14.54 C ATOM 157 CG LEU A 29 7.400 12.433 5.727 1.00 20.26 C ATOM 158 CD1 LEU A 29 5.930 12.789 5.478 1.00 21.27 C ATOM 159 CD2 LEU A 29 7.842 11.321 4.755 1.00 21.08 C ATOM 160 N MET A 30 8.726 14.275 8.552 1.00 13.84 N ATOM 161 CA MET A 30 8.561 13.900 9.949 1.00 12.55 C ATOM 162 C MET A 30 7.807 15.006 10.681 1.00 15.29 C ATOM 163 O MET A 30 6.979 14.728 11.505 1.00 16.36 O ATOM 164 CB MET A 30 9.930 13.679 10.601 1.00 13.42 C ATOM 165 CG MET A 30 10.579 12.403 10.069 1.00 13.69 C ATOM 166 SD MET A 30 12.224 12.127 10.774 1.00 15.49 S ATOM 167 CE MET A 30 11.699 11.542 12.466 1.00 15.40 C ATOM 168 N SER A 31 8.084 16.268 10.349 1.00 13.04 N ATOM 169 CA SER A 31 7.440 17.392 11.066 1.00 13.46 C ATOM 170 C SER A 31 5.928 17.377 10.731 1.00 17.60 C ATOM 171 O SER A 31 5.087 17.631 11.587 1.00 20.14 O ATOM 172 CB SER A 31 8.075 18.731 10.650 1.00 17.23 C ATOM 173 OG SER A 31 7.517 19.790 11.433 1.00 23.57 O ATOM 174 N LEU A 32 5.582 17.019 9.512 1.00 17.98 N ATOM 175 CA LEU A 32 4.161 16.912 9.134 1.00 20.86 C ATOM 176 C LEU A 32 3.531 15.800 9.975 1.00 26.45 C ATOM 177 O LEU A 32 2.509 15.993 10.624 1.00 26.69 O ATOM 178 CB LEU A 32 4.022 16.494 7.657 1.00 22.79 C ATOM 179 CG LEU A 32 3.699 17.527 6.588 1.00 28.29 C ATOM 180 CD1 LEU A 32 3.186 16.720 5.394 1.00 28.41 C ATOM 181 CD2 LEU A 32 2.601 18.445 7.126 1.00 31.65 C ATOM 182 N ILE A 33 4.179 14.639 9.973 1.00 19.45 N ATOM 183 CA ILE A 33 3.704 13.443 10.661 1.00 18.74 C ATOM 184 C ILE A 33 3.419 13.683 12.117 1.00 24.06 C ATOM 185 O ILE A 33 2.431 13.194 12.657 1.00 25.97 O ATOM 186 CB ILE A 33 4.693 12.262 10.452 1.00 19.49 C ATOM 187 CG1 ILE A 33 4.536 11.695 9.041 1.00 18.32 C ATOM 188 CG2 ILE A 33 4.477 11.145 11.483 1.00 22.00 C ATOM 189 CD1 ILE A 33 5.635 10.796 8.631 1.00 20.70 C ATOM 190 N ILE A 34 4.299 14.441 12.748 1.00 19.72 N ATOM 191 CA ILE A 34 4.236 14.714 14.159 1.00 19.71 C ATOM 192 C ILE A 34 3.301 15.860 14.530 1.00 24.75 C ATOM 193 O ILE A 34 2.681 15.838 15.614 1.00 26.22 O ATOM 194 CB ILE A 34 5.676 15.015 14.668 1.00 22.48 C ATOM 195 CG1 ILE A 34 6.596 13.810 14.468 1.00 22.52 C ATOM 196 CG2 ILE A 34 5.668 15.606 16.053 1.00 22.18 C ATOM 197 CD1 ILE A 34 8.067 14.113 14.768 1.00 24.13 C ATOM 198 N ASN A 35 3.301 16.909 13.711 1.00 20.34 N ATOM 199 CA ASN A 35 2.579 18.141 14.042 1.00 20.95 C ATOM 200 C ASN A 35 1.212 18.316 13.423 1.00 28.26 C ATOM 201 O ASN A 35 0.561 19.341 13.634 1.00 30.37 O ATOM 202 CB ASN A 35 3.458 19.349 13.718 1.00 21.21 C ATOM 203 CG ASN A 35 4.757 19.339 14.511 1.00 32.34 C ATOM 204 OD1 ASN A 35 5.844 19.138 13.960 1.00 28.68 O ATOM 205 ND2 ASN A 35 4.641 19.508 15.820 1.00 25.46 N ATOM 206 N THR A 36 0.805 17.342 12.623 1.00 22.70 N ATOM 207 CA THR A 36 -0.476 17.391 11.949 1.00 22.08 C ATOM 208 C THR A 36 -1.315 16.213 12.423 1.00 25.10 C ATOM 209 O THR A 36 -0.815 15.095 12.603 1.00 23.59 O ATOM 210 CB THR A 36 -0.283 17.325 10.421 1.00 31.01 C ATOM 211 OG1 THR A 36 0.483 18.464 10.003 1.00 31.07 O ATOM 212 CG2 THR A 36 -1.664 17.288 9.688 1.00 29.67 C ATOM 213 N PHE A 37 -2.611 16.432 12.582 1.00 20.02 N ATOM 214 CA PHE A 37 -3.422 15.313 13.003 1.00 19.78 C ATOM 215 C PHE A 37 -3.724 14.410 11.814 1.00 23.62 C ATOM 216 O PHE A 37 -4.050 14.901 10.726 1.00 23.79 O ATOM 217 CB PHE A 37 -4.719 15.775 13.682 1.00 22.52 C ATOM 218 CG PHE A 37 -5.670 14.646 13.983 1.00 24.48 C ATOM 219 CD1 PHE A 37 -5.620 13.988 15.196 1.00 28.98 C ATOM 220 CD2 PHE A 37 -6.628 14.271 13.048 1.00 25.67 C ATOM 221 CE1 PHE A 37 -6.501 12.934 15.467 1.00 30.03 C ATOM 222 CE2 PHE A 37 -7.528 13.236 13.322 1.00 28.53 C ATOM 223 CZ PHE A 37 -7.456 12.566 14.522 1.00 27.15 C ATOM 224 N TYR A 38 -3.548 13.098 11.988 1.00 18.65 N ATOM 225 CA TYR A 38 -3.911 12.156 10.941 1.00 16.94 C ATOM 226 C TYR A 38 -4.736 11.063 11.560 1.00 19.96 C ATOM 227 O TYR A 38 -4.395 10.558 12.621 1.00 19.81 O ATOM 228 CB TYR A 38 -2.682 11.507 10.290 1.00 18.79 C ATOM 229 CG TYR A 38 -1.855 12.489 9.479 1.00 22.37 C ATOM 230 CD1 TYR A 38 -2.329 12.995 8.278 1.00 25.73 C ATOM 231 CD2 TYR A 38 -0.646 12.981 9.981 1.00 23.41 C ATOM 232 CE1 TYR A 38 -1.609 13.963 7.571 1.00 25.03 C ATOM 233 CE2 TYR A 38 0.098 13.916 9.262 1.00 24.42 C ATOM 234 CZ TYR A 38 -0.386 14.399 8.065 1.00 28.46 C ATOM 235 OH TYR A 38 0.359 15.324 7.358 1.00 27.98 O ATOM 236 N SER A 39 -5.819 10.671 10.901 1.00 16.41 N ATOM 237 CA SER A 39 -6.606 9.574 11.450 1.00 15.57 C ATOM 238 C SER A 39 -5.920 8.258 11.015 1.00 18.36 C ATOM 239 O SER A 39 -5.051 8.262 10.134 1.00 18.14 O ATOM 240 CB SER A 39 -8.022 9.584 10.837 1.00 23.39 C ATOM 241 OG SER A 39 -8.569 10.888 10.867 1.00 29.37 O ATOM 242 N ASN A 40 -6.422 7.132 11.532 1.00 14.01 N ATOM 243 CA ASN A 40 -5.983 5.803 11.099 1.00 13.69 C ATOM 244 C ASN A 40 -4.477 5.548 11.198 1.00 13.15 C ATOM 245 O ASN A 40 -3.867 4.958 10.297 1.00 14.64 O ATOM 246 CB ASN A 40 -6.466 5.570 9.661 1.00 14.44 C ATOM 247 CG ASN A 40 -7.982 5.830 9.520 1.00 28.21 C ATOM 248 OD1 ASN A 40 -8.760 5.265 10.283 1.00 21.58 O ATOM 249 ND2 ASN A 40 -8.371 6.816 8.693 1.00 18.12 N ATOM 250 N LYS A 41 -3.943 5.861 12.366 1.00 10.97 N ATOM 251 CA LYS A 41 -2.522 5.656 12.638 1.00 11.09 C ATOM 252 C LYS A 41 -2.132 4.180 12.858 1.00 14.92 C ATOM 253 O LYS A 41 -0.948 3.839 12.856 1.00 15.37 O ATOM 254 CB LYS A 41 -2.159 6.516 13.859 1.00 12.76 C ATOM 255 CG LYS A 41 -2.198 7.999 13.531 1.00 12.84 C ATOM 256 CD LYS A 41 -1.796 8.852 14.761 1.00 14.13 C ATOM 257 CE LYS A 41 -1.400 10.259 14.318 1.00 19.63 C ATOM 258 NZ LYS A 41 -0.987 11.091 15.500 1.00 26.32 N ATOM 259 N GLU A 42 -3.108 3.321 13.099 1.00 14.44 N ATOM 260 CA GLU A 42 -2.786 1.933 13.425 1.00 13.53 C ATOM 261 C GLU A 42 -1.922 1.235 12.382 1.00 14.85 C ATOM 262 O GLU A 42 -1.292 0.215 12.676 1.00 14.60 O ATOM 263 CB GLU A 42 -4.060 1.131 13.645 1.00 14.38 C ATOM 264 CG GLU A 42 -4.895 0.957 12.381 1.00 17.46 C ATOM 265 CD GLU A 42 -6.214 0.286 12.705 1.00 36.99 C ATOM 266 OE1 GLU A 42 -6.753 -0.428 11.846 1.00 26.43 O ATOM 267 OE2 GLU A 42 -6.642 0.367 13.877 1.00 28.27 O ATOM 268 N ILE A 43 -1.851 1.821 11.183 1.00 12.53 N ATOM 269 CA ILE A 43 -1.054 1.235 10.091 1.00 12.16 C ATOM 270 C ILE A 43 0.443 1.272 10.367 1.00 11.28 C ATOM 271 O ILE A 43 1.229 0.612 9.680 1.00 12.72 O ATOM 272 CB ILE A 43 -1.421 1.806 8.718 1.00 14.69 C ATOM 273 CG1 ILE A 43 -1.172 3.303 8.669 1.00 14.29 C ATOM 274 CG2 ILE A 43 -2.923 1.545 8.418 1.00 13.96 C ATOM 275 CD1 ILE A 43 0.245 3.697 8.352 1.00 19.33 C ATOM 276 N PHE A 44 0.852 1.965 11.427 1.00 9.58 N ATOM 277 CA PHE A 44 2.294 1.966 11.737 1.00 9.12 C ATOM 278 C PHE A 44 2.768 0.536 11.995 1.00 13.31 C ATOM 279 O PHE A 44 3.912 0.188 11.682 1.00 13.50 O ATOM 280 CB PHE A 44 2.626 2.872 12.960 1.00 11.17 C ATOM 281 CG PHE A 44 2.327 2.221 14.277 1.00 11.87 C ATOM 282 CD1 PHE A 44 1.062 2.315 14.834 1.00 12.96 C ATOM 283 CD2 PHE A 44 3.302 1.482 14.928 1.00 13.35 C ATOM 284 CE1 PHE A 44 0.728 1.620 16.023 1.00 13.80 C ATOM 285 CE2 PHE A 44 2.984 0.783 16.138 1.00 14.37 C ATOM 286 CZ PHE A 44 1.691 0.861 16.664 1.00 13.37 C ATOM 287 N LEU A 45 1.917 -0.287 12.599 1.00 13.03 N ATOM 288 CA LEU A 45 2.334 -1.639 12.936 1.00 10.83 C ATOM 289 C LEU A 45 2.505 -2.464 11.682 1.00 13.95 C ATOM 290 O LEU A 45 3.424 -3.291 11.588 1.00 14.03 O ATOM 291 CB LEU A 45 1.382 -2.296 13.957 1.00 10.98 C ATOM 292 CG LEU A 45 1.902 -3.598 14.573 1.00 15.47 C ATOM 293 CD1 LEU A 45 3.336 -3.477 15.182 1.00 16.64 C ATOM 294 CD2 LEU A 45 0.910 -4.128 15.598 1.00 14.89 C ATOM 295 N ARG A 46 1.611 -2.245 10.723 1.00 8.86 N ATOM 296 CA ARG A 46 1.669 -2.976 9.472 1.00 9.92 C ATOM 297 C ARG A 46 3.025 -2.692 8.799 1.00 15.70 C ATOM 298 O ARG A 46 3.666 -3.581 8.279 1.00 17.03 O ATOM 299 CB ARG A 46 0.562 -2.450 8.549 1.00 11.63 C ATOM 300 CG ARG A 46 0.501 -3.208 7.207 1.00 21.38 C ATOM 301 CD ARG A 46 -0.295 -2.435 6.140 1.00 21.41 C ATOM 302 NE ARG A 46 0.273 -1.115 5.876 1.00 20.16 N ATOM 303 CZ ARG A 46 -0.423 -0.068 5.443 1.00 19.71 C ATOM 304 NH1 ARG A 46 -1.743 -0.173 5.283 1.00 18.27 N ATOM 305 NH2 ARG A 46 0.188 1.092 5.201 1.00 20.57 N ATOM 306 N GLU A 47 3.441 -1.425 8.808 1.00 13.81 N ATOM 307 CA GLU A 47 4.698 -1.039 8.163 1.00 13.86 C ATOM 308 C GLU A 47 5.909 -1.706 8.829 1.00 15.88 C ATOM 309 O GLU A 47 6.811 -2.210 8.152 1.00 14.98 O ATOM 310 CB GLU A 47 4.841 0.481 8.185 1.00 15.52 C ATOM 311 CG GLU A 47 3.790 1.163 7.322 1.00 15.10 C ATOM 312 CD GLU A 47 3.961 0.789 5.849 1.00 27.64 C ATOM 313 OE1 GLU A 47 5.109 0.650 5.397 1.00 21.26 O ATOM 314 OE2 GLU A 47 2.954 0.602 5.154 1.00 27.04 O ATOM 315 N LEU A 48 5.887 -1.744 10.148 1.00 12.24 N ATOM 316 CA LEU A 48 6.973 -2.364 10.901 1.00 11.53 C ATOM 317 C LEU A 48 7.040 -3.866 10.600 1.00 12.33 C ATOM 318 O LEU A 48 8.114 -4.397 10.352 1.00 11.86 O ATOM 319 CB LEU A 48 6.799 -2.153 12.413 1.00 12.63 C ATOM 320 CG LEU A 48 7.183 -0.753 12.914 1.00 18.03 C ATOM 321 CD1 LEU A 48 6.515 -0.500 14.229 1.00 17.54 C ATOM 322 CD2 LEU A 48 8.679 -0.660 13.166 1.00 26.06 C ATOM 323 N ILE A 49 5.895 -4.537 10.616 1.00 12.10 N ATOM 324 CA ILE A 49 5.852 -5.988 10.359 1.00 9.21 C ATOM 325 C ILE A 49 6.243 -6.262 8.916 1.00 13.24 C ATOM 326 O ILE A 49 6.927 -7.256 8.618 1.00 12.63 O ATOM 327 CB ILE A 49 4.483 -6.556 10.709 1.00 12.89 C ATOM 328 CG1 ILE A 49 4.217 -6.401 12.224 1.00 11.61 C ATOM 329 CG2 ILE A 49 4.337 -7.971 10.178 1.00 13.10 C ATOM 330 CD1 ILE A 49 2.798 -6.867 12.630 1.00 12.56 C ATOM 331 N SER A 50 5.903 -5.353 8.009 1.00 12.98 N ATOM 332 C SER A 50 7.809 -5.491 6.467 1.00 14.47 C ATOM 333 O SER A 50 8.406 -6.304 5.731 1.00 12.90 O ATOM 334 CA ASER A 50 6.296 -5.535 6.611 0.50 13.12 C ATOM 335 CB ASER A 50 5.642 -4.473 5.725 0.50 16.73 C ATOM 336 OG ASER A 50 4.277 -4.772 5.600 0.50 16.87 O ATOM 337 CA BSER A 50 6.285 -5.538 6.610 0.50 13.40 C ATOM 338 CB BSER A 50 5.626 -4.476 5.714 0.50 17.96 C ATOM 339 OG BSER A 50 6.125 -4.588 4.396 0.50 22.94 O ATOM 340 N ASN A 51 8.426 -4.539 7.165 1.00 12.44 N ATOM 341 CA ASN A 51 9.874 -4.377 7.122 1.00 11.64 C ATOM 342 C ASN A 51 10.548 -5.595 7.722 1.00 13.17 C ATOM 343 O ASN A 51 11.521 -6.090 7.163 1.00 12.87 O ATOM 344 CB ASN A 51 10.348 -3.065 7.790 1.00 10.59 C ATOM 345 CG ASN A 51 10.072 -1.831 6.910 1.00 24.22 C ATOM 346 OD1 ASN A 51 10.118 -1.921 5.694 1.00 32.54 O ATOM 347 ND2 ASN A 51 10.001 -0.669 7.524 1.00 25.00 N ATOM 348 N SER A 52 9.963 -6.131 8.805 1.00 10.34 N ATOM 349 CA SER A 52 10.524 -7.314 9.426 1.00 10.45 C ATOM 350 C SER A 52 10.421 -8.479 8.439 1.00 9.70 C ATOM 351 O SER A 52 11.375 -9.246 8.245 1.00 9.90 O ATOM 352 CB SER A 52 9.762 -7.639 10.701 1.00 11.63 C ATOM 353 OG SER A 52 10.047 -6.689 11.737 1.00 12.83 O ATOM 354 N SER A 53 9.245 -8.632 7.827 1.00 10.29 N ATOM 355 CA SER A 53 9.024 -9.720 6.878 1.00 10.25 C ATOM 356 C SER A 53 10.004 -9.657 5.730 1.00 12.24 C ATOM 357 O SER A 53 10.576 -10.679 5.369 1.00 12.82 O ATOM 358 CB SER A 53 7.571 -9.681 6.327 1.00 15.32 C ATOM 359 OG SER A 53 7.357 -10.783 5.434 1.00 20.15 O ATOM 360 N ASP A 54 10.238 -8.470 5.155 1.00 10.53 N ATOM 361 CA ASP A 54 11.243 -8.327 4.093 1.00 11.42 C ATOM 362 C ASP A 54 12.659 -8.728 4.551 1.00 12.51 C ATOM 363 O ASP A 54 13.410 -9.396 3.822 1.00 13.22 O ATOM 364 CB ASP A 54 11.282 -6.882 3.605 1.00 14.48 C ATOM 365 CG ASP A 54 10.016 -6.487 2.886 1.00 21.03 C ATOM 366 OD1 ASP A 54 9.227 -7.394 2.576 1.00 22.29 O ATOM 367 OD2 ASP A 54 9.926 -5.316 2.460 1.00 23.13 O ATOM 368 N ALA A 55 13.007 -8.336 5.768 1.00 10.64 N ATOM 369 CA ALA A 55 14.347 -8.666 6.313 1.00 11.31 C ATOM 370 C ALA A 55 14.466 -10.186 6.535 1.00 13.44 C ATOM 371 O ALA A 55 15.535 -10.788 6.362 1.00 12.87 O ATOM 372 CB ALA A 55 14.540 -7.953 7.603 1.00 11.55 C ATOM 373 N LEU A 56 13.367 -10.787 6.961 1.00 10.18 N ATOM 374 CA LEU A 56 13.348 -12.219 7.216 1.00 9.53 C ATOM 375 C LEU A 56 13.445 -12.950 5.872 1.00 13.64 C ATOM 376 O LEU A 56 14.195 -13.898 5.728 1.00 12.33 O ATOM 377 CB LEU A 56 12.084 -12.617 7.967 1.00 9.57 C ATOM 378 CG LEU A 56 12.127 -12.213 9.464 1.00 11.35 C ATOM 379 CD1 LEU A 56 10.740 -12.216 10.141 1.00 9.99 C ATOM 380 CD2 LEU A 56 13.021 -13.207 10.227 1.00 13.03 C ATOM 381 N ASP A 57 12.681 -12.503 4.883 1.00 12.20 N ATOM 382 CA ASP A 57 12.796 -13.063 3.524 1.00 11.84 C ATOM 383 C ASP A 57 14.249 -13.065 3.028 1.00 14.21 C ATOM 384 O ASP A 57 14.707 -14.042 2.407 1.00 13.18 O ATOM 385 CB ASP A 57 11.992 -12.194 2.542 1.00 12.04 C ATOM 386 CG ASP A 57 10.479 -12.486 2.569 1.00 18.43 C ATOM 387 OD1 ASP A 57 10.015 -13.480 3.187 1.00 17.53 O ATOM 388 OD2 ASP A 57 9.743 -11.701 1.937 1.00 17.03 O ATOM 389 N LYS A 58 14.940 -11.957 3.249 1.00 11.57 N ATOM 390 CA LYS A 58 16.330 -11.793 2.773 1.00 11.47 C ATOM 391 C LYS A 58 17.307 -12.807 3.381 1.00 14.52 C ATOM 392 O LYS A 58 18.055 -13.469 2.649 1.00 14.17 O ATOM 393 CB LYS A 58 16.810 -10.370 2.996 1.00 12.91 C ATOM 394 CG LYS A 58 18.078 -10.021 2.226 1.00 16.76 C ATOM 395 CD LYS A 58 17.874 -9.947 0.759 1.00 28.14 C ATOM 396 CE LYS A 58 19.197 -9.482 0.172 1.00 41.56 C ATOM 397 NZ LYS A 58 20.124 -10.634 -0.030 1.00 49.18 N ATOM 398 N ILE A 59 17.280 -12.950 4.707 1.00 10.61 N ATOM 399 CA ILE A 59 18.147 -13.948 5.362 1.00 10.04 C ATOM 400 C ILE A 59 17.730 -15.357 4.958 1.00 13.45 C ATOM 401 O ILE A 59 18.579 -16.188 4.726 1.00 13.48 O ATOM 402 CB ILE A 59 18.233 -13.807 6.890 1.00 12.85 C ATOM 403 CG1 ILE A 59 19.229 -14.831 7.481 1.00 14.77 C ATOM 404 CG2 ILE A 59 16.853 -13.986 7.543 1.00 11.37 C ATOM 405 CD1 ILE A 59 20.690 -14.626 7.060 1.00 18.04 C ATOM 406 N ARG A 60 16.433 -15.632 4.819 1.00 10.05 N ATOM 407 C ARG A 60 16.584 -17.247 2.991 1.00 12.52 C ATOM 408 O ARG A 60 17.163 -18.308 2.744 1.00 12.86 O ATOM 409 CA AARG A 60 16.011 -16.957 4.393 0.50 10.01 C ATOM 410 CB AARG A 60 14.493 -17.012 4.331 0.50 9.29 C ATOM 411 CG AARG A 60 13.994 -18.324 3.808 0.50 9.73 C ATOM 412 CD AARG A 60 12.492 -18.367 3.900 0.50 16.02 C ATOM 413 NE AARG A 60 11.859 -17.357 3.068 0.50 14.76 N ATOM 414 CZ AARG A 60 10.542 -17.183 3.030 0.50 42.24 C ATOM 415 NH1AARG A 60 9.756 -17.909 3.819 0.50 38.12 N ATOM 416 NH2AARG A 60 10.013 -16.284 2.224 0.50 29.53 N ATOM 417 CA BARG A 60 16.007 -16.961 4.395 0.50 10.04 C ATOM 418 CB BARG A 60 14.482 -17.012 4.340 0.50 10.20 C ATOM 419 CG BARG A 60 13.944 -18.172 3.535 0.50 13.85 C ATOM 420 CD BARG A 60 12.437 -18.294 3.718 0.50 18.47 C ATOM 421 NE BARG A 60 12.102 -18.775 5.055 0.50 21.93 N ATOM 422 CZ BARG A 60 10.893 -18.690 5.594 0.50 33.42 C ATOM 423 NH1BARG A 60 9.899 -18.133 4.914 0.50 28.06 N ATOM 424 NH2BARG A 60 10.673 -19.170 6.809 0.50 17.26 N ATOM 425 N TYR A 61 16.425 -16.290 2.079 1.00 9.70 N ATOM 426 CA TYR A 61 16.937 -16.428 0.706 1.00 8.42 C ATOM 427 C TYR A 61 18.442 -16.667 0.666 1.00 11.69 C ATOM 428 O TYR A 61 18.943 -17.559 -0.069 1.00 10.56 O ATOM 429 CB TYR A 61 16.600 -15.168 -0.086 1.00 9.47 C ATOM 430 CG TYR A 61 16.780 -15.304 -1.579 1.00 11.61 C ATOM 431 CD1 TYR A 61 15.821 -15.918 -2.358 1.00 13.46 C ATOM 432 CD2 TYR A 61 17.901 -14.760 -2.201 1.00 13.39 C ATOM 433 CE1 TYR A 61 15.964 -16.023 -3.742 1.00 16.01 C ATOM 434 CE2 TYR A 61 18.047 -14.826 -3.576 1.00 15.11 C ATOM 435 CZ TYR A 61 17.102 -15.493 -4.330 1.00 17.40 C ATOM 436 OH TYR A 61 17.266 -15.520 -5.700 1.00 17.16 O ATOM 437 N GLU A 62 19.191 -15.863 1.426 1.00 10.75 N ATOM 438 CA GLU A 62 20.650 -16.039 1.448 1.00 11.00 C ATOM 439 C GLU A 62 21.028 -17.397 2.021 1.00 10.81 C ATOM 440 O GLU A 62 22.007 -18.017 1.564 1.00 12.78 O ATOM 441 CB GLU A 62 21.324 -14.903 2.204 1.00 12.57 C ATOM 442 CG GLU A 62 21.053 -13.544 1.563 1.00 14.70 C ATOM 443 CD GLU A 62 21.993 -12.449 2.059 1.00 26.16 C ATOM 444 OE1 GLU A 62 21.769 -11.297 1.664 1.00 27.86 O ATOM 445 OE2 GLU A 62 22.930 -12.721 2.854 1.00 24.23 O ATOM 446 N SER A 63 20.260 -17.850 3.021 1.00 10.15 N ATOM 447 CA SER A 63 20.535 -19.123 3.671 1.00 10.36 C ATOM 448 C SER A 63 20.323 -20.345 2.773 1.00 17.22 C ATOM 449 O SER A 63 20.870 -21.395 3.076 1.00 15.12 O ATOM 450 CB SER A 63 19.711 -19.312 4.970 1.00 11.88 C ATOM 451 OG SER A 63 18.348 -19.518 4.690 1.00 14.48 O ATOM 452 N LEU A 64 19.537 -20.202 1.696 1.00 15.43 N ATOM 453 CA LEU A 64 19.325 -21.306 0.731 1.00 16.25 C ATOM 454 C LEU A 64 20.683 -21.762 0.230 1.00 18.13 C ATOM 455 O LEU A 64 20.912 -22.951 -0.001 1.00 20.19 O ATOM 456 CB LEU A 64 18.550 -20.806 -0.479 1.00 15.90 C ATOM 457 CG LEU A 64 17.065 -20.556 -0.269 1.00 16.30 C ATOM 458 CD1 LEU A 64 16.560 -19.958 -1.550 1.00 17.91 C ATOM 459 CD2 LEU A 64 16.368 -21.898 -0.045 1.00 16.65 C ATOM 460 N THR A 65 21.573 -20.796 0.043 1.00 12.79 N ATOM 461 CA THR A 65 22.895 -21.044 -0.520 1.00 12.76 C ATOM 462 C THR A 65 23.985 -21.169 0.530 1.00 19.52 C ATOM 463 O THR A 65 24.960 -21.896 0.343 1.00 18.78 O ATOM 464 CB THR A 65 23.242 -19.890 -1.477 1.00 12.94 C ATOM 465 OG1 THR A 65 22.180 -19.776 -2.423 1.00 15.15 O ATOM 466 CG2 THR A 65 24.560 -20.177 -2.195 1.00 16.71 C ATOM 467 N ASP A 66 23.826 -20.447 1.638 1.00 16.63 N ATOM 468 CA ASP A 66 24.860 -20.478 2.668 1.00 15.50 C ATOM 469 C ASP A 66 24.234 -20.595 4.053 1.00 16.90 C ATOM 470 O ASP A 66 23.955 -19.603 4.698 1.00 14.90 O ATOM 471 CB ASP A 66 25.731 -19.243 2.539 1.00 19.16 C ATOM 472 CG ASP A 66 26.876 -19.215 3.544 1.00 24.88 C ATOM 473 OD1 ASP A 66 27.018 -20.194 4.292 1.00 26.78 O ATOM 474 OD2 ASP A 66 27.608 -18.194 3.594 1.00 32.91 O ATOM 475 N PRO A 67 24.007 -21.832 4.513 1.00 17.44 N ATOM 476 CA PRO A 67 23.427 -22.162 5.822 1.00 18.80 C ATOM 477 C PRO A 67 24.187 -21.484 6.960 1.00 20.83 C ATOM 478 O PRO A 67 23.594 -21.201 8.010 1.00 19.25 O ATOM 479 CB PRO A 67 23.618 -23.682 5.916 1.00 20.97 C ATOM 480 CG PRO A 67 23.613 -24.155 4.485 1.00 23.30 C ATOM 481 CD PRO A 67 24.043 -22.996 3.615 1.00 17.76 C ATOM 482 N SER A 68 25.471 -21.203 6.740 1.00 17.82 N ATOM 483 CA SER A 68 26.309 -20.573 7.761 1.00 18.56 C ATOM 484 C SER A 68 25.836 -19.175 8.152 1.00 21.28 C ATOM 485 O SER A 68 26.119 -18.676 9.261 1.00 20.02 O ATOM 486 CB SER A 68 27.802 -20.604 7.394 1.00 21.28 C ATOM 487 OG SER A 68 28.139 -19.585 6.479 1.00 26.99 O ATOM 488 N LYS A 69 25.051 -18.566 7.275 1.00 15.77 N ATOM 489 CA LYS A 69 24.505 -17.255 7.585 1.00 14.79 C ATOM 490 C LYS A 69 23.512 -17.343 8.732 1.00 14.89 C ATOM 491 O LYS A 69 23.195 -16.333 9.344 1.00 14.03 O ATOM 492 CB LYS A 69 23.880 -16.626 6.349 1.00 14.88 C ATOM 493 CG LYS A 69 24.931 -16.185 5.345 1.00 18.44 C ATOM 494 CD LYS A 69 24.328 -15.560 4.163 1.00 15.90 C ATOM 495 CE LYS A 69 25.399 -14.811 3.347 1.00 25.38 C ATOM 496 NZ LYS A 69 24.952 -14.509 1.961 1.00 35.46 N ATOM 497 N LEU A 70 23.016 -18.539 9.029 1.00 12.84 N ATOM 498 CA LEU A 70 22.103 -18.727 10.160 1.00 14.01 C ATOM 499 C LEU A 70 22.837 -19.039 11.476 1.00 19.60 C ATOM 500 O LEU A 70 22.185 -19.245 12.490 1.00 22.80 O ATOM 501 CB LEU A 70 21.074 -19.845 9.896 1.00 13.88 C ATOM 502 CG LEU A 70 20.208 -19.631 8.647 1.00 17.83 C ATOM 503 CD1 LEU A 70 19.477 -20.930 8.274 1.00 19.18 C ATOM 504 CD2 LEU A 70 19.236 -18.433 8.865 1.00 14.54 C ATOM 505 N ASP A 71 24.173 -19.051 11.454 1.00 15.48 N ATOM 506 CA ASP A 71 25.000 -19.314 12.663 1.00 15.19 C ATOM 507 C ASP A 71 24.557 -18.418 13.830 1.00 20.94 C ATOM 508 O ASP A 71 24.492 -18.858 14.990 1.00 22.15 O ATOM 509 CB ASP A 71 26.476 -19.042 12.348 1.00 15.86 C ATOM 510 CG ASP A 71 27.186 -20.252 11.709 1.00 30.34 C ATOM 511 OD1 ASP A 71 26.527 -21.288 11.446 1.00 31.70 O ATOM 512 OD2 ASP A 71 28.426 -20.192 11.567 1.00 35.57 O ATOM 513 N SER A 72 24.232 -17.173 13.482 1.00 15.04 N ATOM 514 CA SER A 72 23.810 -16.115 14.399 1.00 16.61 C ATOM 515 C SER A 72 22.334 -16.127 14.865 1.00 24.24 C ATOM 516 O SER A 72 21.864 -15.186 15.518 1.00 23.34 O ATOM 517 CB SER A 72 24.110 -14.765 13.729 1.00 20.45 C ATOM 518 OG SER A 72 23.561 -14.741 12.403 1.00 22.67 O ATOM 519 N GLY A 73 21.582 -17.154 14.503 1.00 20.42 N ATOM 520 CA GLY A 73 20.201 -17.244 14.932 1.00 19.96 C ATOM 521 C GLY A 73 19.487 -18.090 13.900 1.00 21.32 C ATOM 522 O GLY A 73 19.409 -17.682 12.741 1.00 18.32 O ATOM 523 N LYS A 74 19.056 -19.294 14.285 1.00 15.40 N ATOM 524 CA LYS A 74 18.470 -20.205 13.304 1.00 15.18 C ATOM 525 C LYS A 74 16.976 -20.005 13.097 1.00 16.57 C ATOM 526 O LYS A 74 16.425 -20.444 12.109 1.00 16.83 O ATOM 527 CB LYS A 74 18.763 -21.669 13.686 1.00 18.82 C ATOM 528 CG LYS A 74 20.291 -21.917 13.785 1.00 26.65 C ATOM 529 CD LYS A 74 20.747 -23.170 13.095 1.00 34.09 C ATOM 530 CE LYS A 74 22.279 -23.195 13.020 1.00 41.09 C ATOM 531 NZ LYS A 74 22.908 -22.744 14.279 1.00 43.02 N ATOM 532 N GLU A 75 16.316 -19.358 14.060 1.00 12.90 N ATOM 533 CA GLU A 75 14.885 -19.222 14.016 1.00 13.82 C ATOM 534 C GLU A 75 14.479 -17.888 13.389 1.00 19.87 C ATOM 535 O GLU A 75 14.953 -16.838 13.816 1.00 19.16 O ATOM 536 CB GLU A 75 14.304 -19.342 15.444 1.00 15.58 C ATOM 537 CG GLU A 75 12.819 -19.067 15.508 1.00 28.82 C ATOM 538 CD GLU A 75 11.973 -20.316 15.525 1.00 64.49 C ATOM 539 OE1 GLU A 75 11.616 -20.799 14.433 1.00 59.76 O ATOM 540 OE2 GLU A 75 11.575 -20.748 16.630 1.00 67.44 O ATOM 541 N LEU A 76 13.593 -17.959 12.392 1.00 14.55 N ATOM 542 CA LEU A 76 13.119 -16.779 11.672 1.00 13.35 C ATOM 543 C LEU A 76 11.738 -16.459 12.203 1.00 15.59 C ATOM 544 O LEU A 76 10.786 -17.204 11.953 1.00 15.51 O ATOM 545 CB LEU A 76 13.069 -17.084 10.171 1.00 12.36 C ATOM 546 CG LEU A 76 14.423 -17.436 9.541 1.00 17.20 C ATOM 547 CD1 LEU A 76 14.353 -17.396 7.981 1.00 17.12 C ATOM 548 CD2 LEU A 76 15.457 -16.393 10.006 1.00 14.72 C ATOM 549 N HIS A 77 11.642 -15.412 13.026 1.00 12.21 N ATOM 550 CA HIS A 77 10.369 -15.058 13.609 1.00 11.82 C ATOM 551 C HIS A 77 10.249 -13.603 14.039 1.00 14.12 C ATOM 552 O HIS A 77 11.217 -12.887 13.960 1.00 13.12 O ATOM 553 CB HIS A 77 10.000 -16.002 14.754 1.00 13.80 C ATOM 554 CG HIS A 77 10.802 -15.826 15.999 1.00 19.68 C ATOM 555 ND1 HIS A 77 12.164 -15.609 15.998 1.00 23.13 N ATOM 556 CD2 HIS A 77 10.459 -16.024 17.297 1.00 22.85 C ATOM 557 CE1 HIS A 77 12.609 -15.567 17.242 1.00 22.78 C ATOM 558 NE2 HIS A 77 11.597 -15.825 18.050 1.00 24.46 N ATOM 559 N ILE A 78 9.051 -13.183 14.472 1.00 12.81 N ATOM 560 CA ILE A 78 8.814 -11.803 14.924 1.00 11.52 C ATOM 561 C ILE A 78 8.183 -11.862 16.298 1.00 15.78 C ATOM 562 O ILE A 78 7.257 -12.670 16.505 1.00 15.88 O ATOM 563 CB ILE A 78 7.824 -11.092 13.935 1.00 12.61 C ATOM 564 CG1 ILE A 78 8.401 -11.001 12.521 1.00 13.21 C ATOM 565 CG2 ILE A 78 7.403 -9.696 14.434 1.00 11.97 C ATOM 566 CD1 ILE A 78 7.350 -10.642 11.492 1.00 12.92 C ATOM 567 N ASN A 79 8.609 -10.988 17.214 1.00 12.43 N ATOM 568 CA ASN A 79 7.993 -10.921 18.537 1.00 11.73 C ATOM 569 C ASN A 79 7.471 -9.515 18.719 1.00 13.95 C ATOM 570 O ASN A 79 8.155 -8.564 18.351 1.00 12.63 O ATOM 571 CB ASN A 79 9.014 -11.178 19.652 1.00 14.26 C ATOM 572 CG ASN A 79 9.516 -12.609 19.673 1.00 17.75 C ATOM 573 OD1 ASN A 79 8.836 -13.505 19.239 1.00 18.94 O ATOM 574 ND2 ASN A 79 10.715 -12.804 20.168 1.00 18.53 N ATOM 575 N LEU A 80 6.282 -9.382 19.300 1.00 12.03 N ATOM 576 CA LEU A 80 5.733 -8.037 19.576 1.00 12.68 C ATOM 577 C LEU A 80 5.664 -7.951 21.082 1.00 14.96 C ATOM 578 O LEU A 80 5.062 -8.806 21.731 1.00 12.31 O ATOM 579 CB LEU A 80 4.317 -7.857 19.009 1.00 13.67 C ATOM 580 CG LEU A 80 4.120 -8.179 17.528 1.00 17.66 C ATOM 581 CD1 LEU A 80 2.632 -7.857 17.161 1.00 16.70 C ATOM 582 CD2 LEU A 80 5.065 -7.299 16.716 1.00 20.54 C ATOM 583 N ILE A 81 6.194 -6.855 21.622 1.00 11.96 N ATOM 584 CA ILE A 81 6.354 -6.710 23.033 1.00 11.58 C ATOM 585 C ILE A 81 5.852 -5.408 23.589 1.00 12.38 C ATOM 586 O ILE A 81 6.572 -4.412 23.618 1.00 13.91 O ATOM 587 CB ILE A 81 7.857 -6.881 23.410 1.00 15.52 C ATOM 588 CG1 ILE A 81 8.431 -8.128 22.723 1.00 15.96 C ATOM 589 CG2 ILE A 81 7.999 -6.984 24.943 1.00 17.47 C ATOM 590 CD1 ILE A 81 9.917 -8.259 22.883 1.00 22.88 C ATOM 591 N PRO A 82 4.608 -5.387 24.021 1.00 11.93 N ATOM 592 CA PRO A 82 4.191 -4.143 24.657 1.00 11.08 C ATOM 593 C PRO A 82 4.642 -4.139 26.102 1.00 17.50 C ATOM 594 O PRO A 82 4.692 -5.190 26.774 1.00 19.34 O ATOM 595 CB PRO A 82 2.671 -4.170 24.557 1.00 14.10 C ATOM 596 CG PRO A 82 2.303 -5.634 24.443 1.00 19.48 C ATOM 597 CD PRO A 82 3.519 -6.387 23.957 1.00 15.72 C ATOM 598 N ASN A 83 5.027 -2.968 26.590 1.00 12.86 N ATOM 599 CA ASN A 83 5.495 -2.902 27.980 1.00 13.50 C ATOM 600 C ASN A 83 4.835 -1.711 28.637 1.00 16.94 C ATOM 601 O ASN A 83 5.192 -0.575 28.383 1.00 15.70 O ATOM 602 CB ASN A 83 7.023 -2.788 28.031 1.00 15.93 C ATOM 603 CG ASN A 83 7.567 -2.752 29.452 1.00 25.60 C ATOM 604 OD1 ASN A 83 6.819 -2.571 30.415 1.00 28.60 O ATOM 605 ND2 ASN A 83 8.870 -2.956 29.589 1.00 23.36 N ATOM 606 N LYS A 84 3.839 -1.989 29.471 1.00 16.84 N ATOM 607 CA LYS A 84 3.139 -0.928 30.163 1.00 18.63 C ATOM 608 C LYS A 84 3.971 -0.205 31.210 1.00 20.98 C ATOM 609 O LYS A 84 3.586 0.875 31.661 1.00 22.40 O ATOM 610 CB LYS A 84 1.880 -1.492 30.797 1.00 20.84 C ATOM 611 CG LYS A 84 0.855 -1.893 29.771 1.00 25.34 C ATOM 612 CD LYS A 84 -0.406 -2.454 30.442 1.00 36.11 C ATOM 613 CE LYS A 84 -1.409 -2.899 29.384 1.00 47.29 C ATOM 614 NZ LYS A 84 -2.769 -3.151 29.936 1.00 63.02 N ATOM 615 N GLN A 85 5.062 -0.816 31.655 1.00 19.61 N ATOM 616 CA GLN A 85 5.916 -0.183 32.670 1.00 19.50 C ATOM 617 C GLN A 85 6.540 1.073 32.134 1.00 22.02 C ATOM 618 O GLN A 85 6.554 2.108 32.804 1.00 20.95 O ATOM 619 CB GLN A 85 7.049 -1.125 33.127 1.00 20.64 C ATOM 620 CG GLN A 85 6.563 -2.372 33.906 1.00 27.06 C ATOM 621 CD GLN A 85 7.677 -3.390 34.230 1.00 41.91 C ATOM 622 OE1 GLN A 85 7.398 -4.520 34.657 1.00 31.81 O ATOM 623 NE2 GLN A 85 8.927 -2.983 34.065 1.00 28.21 N ATOM 624 N ASP A 86 7.073 0.987 30.918 1.00 17.65 N ATOM 625 CA ASP A 86 7.726 2.144 30.312 1.00 17.11 C ATOM 626 C ASP A 86 7.051 2.680 29.044 1.00 17.00 C ATOM 627 O ASP A 86 7.605 3.552 28.377 1.00 18.81 O ATOM 628 CB ASP A 86 9.231 1.907 30.126 1.00 19.94 C ATOM 629 CG ASP A 86 9.520 0.823 29.123 1.00 20.34 C ATOM 630 OD1 ASP A 86 8.533 0.289 28.608 1.00 22.29 O ATOM 631 OD2 ASP A 86 10.706 0.541 28.841 1.00 28.38 O ATOM 632 N ARG A 87 5.807 2.261 28.790 1.00 14.59 N ATOM 633 CA ARG A 87 5.008 2.766 27.689 1.00 13.74 C ATOM 634 C ARG A 87 5.761 2.612 26.381 1.00 16.01 C ATOM 635 O ARG A 87 5.802 3.530 25.565 1.00 16.04 O ATOM 636 CB ARG A 87 4.676 4.254 27.907 1.00 18.34 C ATOM 637 CG ARG A 87 3.259 4.624 27.554 1.00 32.04 C ATOM 638 CD ARG A 87 2.884 5.980 28.144 1.00 43.07 C ATOM 639 NE ARG A 87 3.477 7.064 27.371 1.00 50.60 N ATOM 640 CZ ARG A 87 3.516 8.329 27.771 1.00 65.48 C ATOM 641 NH1 ARG A 87 2.981 8.676 28.939 1.00 50.29 N ATOM 642 NH2 ARG A 87 4.082 9.246 26.995 1.00 46.57 N ATOM 643 N THR A 88 6.343 1.434 26.193 1.00 11.99 N ATOM 644 CA THR A 88 6.977 1.105 24.929 1.00 12.31 C ATOM 645 C THR A 88 6.280 -0.054 24.245 1.00 14.07 C ATOM 646 O THR A 88 5.701 -0.933 24.888 1.00 14.73 O ATOM 647 CB THR A 88 8.492 0.736 25.088 1.00 18.13 C ATOM 648 OG1 THR A 88 8.619 -0.388 25.973 1.00 16.22 O ATOM 649 CG2 THR A 88 9.296 1.922 25.561 1.00 15.93 C ATOM 650 N LEU A 89 6.443 -0.109 22.929 1.00 10.95 N ATOM 651 CA LEU A 89 5.997 -1.238 22.123 1.00 10.93 C ATOM 652 C LEU A 89 7.212 -1.569 21.288 1.00 14.19 C ATOM 653 O LEU A 89 7.716 -0.700 20.550 1.00 12.41 O ATOM 654 CB LEU A 89 4.857 -0.856 21.201 1.00 11.32 C ATOM 655 CG LEU A 89 4.477 -2.006 20.254 1.00 14.61 C ATOM 656 CD1 LEU A 89 4.160 -3.270 21.082 1.00 14.20 C ATOM 657 CD2 LEU A 89 3.303 -1.593 19.397 1.00 17.81 C ATOM 658 N THR A 90 7.711 -2.801 21.450 1.00 11.35 N ATOM 659 CA THR A 90 8.908 -3.220 20.736 1.00 11.02 C ATOM 660 C THR A 90 8.544 -4.312 19.729 1.00 14.63 C ATOM 661 O THR A 90 7.738 -5.197 20.044 1.00 12.02 O ATOM 662 CB THR A 90 9.948 -3.758 21.759 1.00 16.45 C ATOM 663 OG1 THR A 90 10.272 -2.724 22.696 1.00 15.99 O ATOM 664 CG2 THR A 90 11.201 -4.226 21.065 1.00 14.61 C ATOM 665 N ILE A 91 9.121 -4.221 18.530 1.00 11.48 N ATOM 666 CA ILE A 91 8.942 -5.258 17.520 1.00 11.97 C ATOM 667 C ILE A 91 10.335 -5.833 17.299 1.00 15.09 C ATOM 668 O ILE A 91 11.229 -5.107 16.892 1.00 13.10 O ATOM 669 CB ILE A 91 8.380 -4.685 16.201 1.00 15.89 C ATOM 670 CG1 ILE A 91 6.947 -4.165 16.430 1.00 20.48 C ATOM 671 CG2 ILE A 91 8.372 -5.793 15.147 1.00 16.55 C ATOM 672 CD1 ILE A 91 6.892 -2.788 17.035 1.00 32.06 C ATOM 673 N VAL A 92 10.495 -7.147 17.480 1.00 11.43 N ATOM 674 CA VAL A 92 11.813 -7.779 17.295 1.00 9.86 C ATOM 675 C VAL A 92 11.732 -8.798 16.179 1.00 13.65 C ATOM 676 O VAL A 92 10.805 -9.628 16.174 1.00 12.57 O ATOM 677 CB VAL A 92 12.243 -8.599 18.589 1.00 15.52 C ATOM 678 CG1 VAL A 92 13.578 -9.242 18.345 1.00 17.41 C ATOM 679 CG2 VAL A 92 12.297 -7.761 19.822 1.00 16.36 C ATOM 680 N ASP A 93 12.725 -8.814 15.282 1.00 10.64 N ATOM 681 CA ASP A 93 12.729 -9.865 14.279 1.00 10.22 C ATOM 682 C ASP A 93 14.138 -10.406 14.175 1.00 13.78 C ATOM 683 O ASP A 93 15.094 -9.761 14.593 1.00 14.34 O ATOM 684 CB ASP A 93 12.219 -9.372 12.904 1.00 13.30 C ATOM 685 CG ASP A 93 13.168 -8.373 12.236 1.00 13.72 C ATOM 686 OD1 ASP A 93 14.312 -8.757 11.878 1.00 13.10 O ATOM 687 OD2 ASP A 93 12.773 -7.203 12.096 1.00 13.24 O ATOM 688 N THR A 94 14.245 -11.601 13.617 1.00 7.72 N ATOM 689 CA THR A 94 15.535 -12.243 13.428 1.00 9.46 C ATOM 690 C THR A 94 15.870 -12.227 11.935 1.00 11.39 C ATOM 691 O THR A 94 16.426 -13.195 11.385 1.00 10.10 O ATOM 692 CB THR A 94 15.567 -13.668 14.036 1.00 18.05 C ATOM 693 OG1 THR A 94 14.408 -14.393 13.578 1.00 11.58 O ATOM 694 CG2 THR A 94 15.519 -13.552 15.607 1.00 14.82 C ATOM 695 N GLY A 95 15.578 -11.096 11.282 1.00 9.23 N ATOM 696 CA GLY A 95 15.913 -10.973 9.867 1.00 8.89 C ATOM 697 C GLY A 95 17.403 -10.734 9.614 1.00 11.23 C ATOM 698 O GLY A 95 18.266 -10.903 10.503 1.00 10.80 O ATOM 699 N ILE A 96 17.714 -10.324 8.373 1.00 10.96 N ATOM 700 CA ILE A 96 19.078 -10.107 7.968 1.00 11.06 C ATOM 701 C ILE A 96 19.801 -8.962 8.691 1.00 12.60 C ATOM 702 O ILE A 96 21.022 -8.918 8.737 1.00 13.60 O ATOM 703 CB ILE A 96 19.151 -9.946 6.432 1.00 13.14 C ATOM 704 CG1 ILE A 96 20.598 -10.059 5.981 1.00 16.68 C ATOM 705 CG2 ILE A 96 18.514 -8.594 6.039 1.00 14.27 C ATOM 706 CD1 ILE A 96 20.746 -10.727 4.667 1.00 26.54 C ATOM 707 N GLY A 97 19.059 -8.042 9.296 1.00 10.56 N ATOM 708 CA GLY A 97 19.670 -6.953 10.026 1.00 10.16 C ATOM 709 C GLY A 97 20.235 -5.913 9.061 1.00 11.40 C ATOM 710 O GLY A 97 20.179 -6.079 7.840 1.00 11.46 O ATOM 711 N MET A 98 20.817 -4.860 9.613 1.00 9.75 N ATOM 712 CA MET A 98 21.369 -3.814 8.761 1.00 8.12 C ATOM 713 C MET A 98 22.816 -3.557 9.159 1.00 15.27 C ATOM 714 O MET A 98 23.148 -3.569 10.344 1.00 14.55 O ATOM 715 CB MET A 98 20.545 -2.529 9.023 1.00 10.70 C ATOM 716 CG MET A 98 19.221 -2.527 8.273 1.00 12.29 C ATOM 717 SD MET A 98 18.182 -1.104 8.699 1.00 15.45 S ATOM 718 CE MET A 98 17.755 -1.587 10.406 1.00 14.19 C ATOM 719 N THR A 99 23.641 -3.196 8.179 1.00 10.60 N ATOM 720 CA THR A 99 24.976 -2.757 8.447 1.00 12.59 C ATOM 721 C THR A 99 24.908 -1.273 8.834 1.00 14.48 C ATOM 722 O THR A 99 23.851 -0.618 8.813 1.00 14.61 O ATOM 723 CB THR A 99 25.834 -2.860 7.199 1.00 15.14 C ATOM 724 OG1 THR A 99 25.295 -1.970 6.197 1.00 15.04 O ATOM 725 CG2 THR A 99 25.807 -4.314 6.673 1.00 14.36 C ATOM 726 N LYS A 100 26.060 -0.721 9.164 1.00 11.44 N ATOM 727 CA LYS A 100 26.075 0.678 9.508 1.00 11.38 C ATOM 728 C LYS A 100 25.625 1.540 8.333 1.00 13.37 C ATOM 729 O LYS A 100 24.800 2.456 8.506 1.00 13.96 O ATOM 730 CB LYS A 100 27.489 1.098 9.892 1.00 14.47 C ATOM 731 CG LYS A 100 27.514 2.448 10.596 1.00 17.42 C ATOM 732 CD LYS A 100 28.999 2.771 10.805 1.00 24.99 C ATOM 733 CE LYS A 100 29.235 4.109 11.434 1.00 35.94 C ATOM 734 NZ LYS A 100 30.716 4.411 11.320 1.00 24.33 N ATOM 735 N ALA A 101 26.135 1.218 7.140 1.00 12.65 N ATOM 736 CA ALA A 101 25.785 1.977 5.938 1.00 12.47 C ATOM 737 C ALA A 101 24.294 1.813 5.682 1.00 14.87 C ATOM 738 O ALA A 101 23.617 2.782 5.360 1.00 14.31 O ATOM 739 CB ALA A 101 26.598 1.528 4.718 1.00 13.83 C ATOM 740 N ASP A 102 23.755 0.602 5.893 1.00 11.85 N ATOM 741 CA ASP A 102 22.297 0.392 5.656 1.00 11.69 C ATOM 742 C ASP A 102 21.481 1.297 6.605 1.00 15.19 C ATOM 743 O ASP A 102 20.459 1.894 6.189 1.00 13.55 O ATOM 744 CB ASP A 102 21.893 -1.049 5.907 1.00 14.62 C ATOM 745 CG ASP A 102 22.546 -2.035 4.935 1.00 19.30 C ATOM 746 OD1 ASP A 102 23.003 -1.591 3.836 1.00 18.18 O ATOM 747 OD2 ASP A 102 22.573 -3.263 5.269 1.00 19.83 O ATOM 748 N LEU A 103 21.872 1.378 7.880 1.00 14.75 N ATOM 749 CA LEU A 103 21.151 2.285 8.796 1.00 16.02 C ATOM 750 C LEU A 103 21.215 3.724 8.285 1.00 16.87 C ATOM 751 O LEU A 103 20.233 4.430 8.214 1.00 15.95 O ATOM 752 CB LEU A 103 21.748 2.278 10.210 1.00 16.56 C ATOM 753 CG LEU A 103 21.329 1.245 11.234 1.00 18.93 C ATOM 754 CD1 LEU A 103 22.082 1.561 12.509 1.00 16.89 C ATOM 755 CD2 LEU A 103 19.823 1.244 11.476 1.00 18.19 C ATOM 756 N ILE A 104 22.423 4.188 8.024 1.00 11.28 N ATOM 757 CA ILE A 104 22.641 5.564 7.595 1.00 11.19 C ATOM 758 C ILE A 104 21.883 5.913 6.304 1.00 13.45 C ATOM 759 O ILE A 104 21.330 6.995 6.200 1.00 16.35 O ATOM 760 CB ILE A 104 24.162 5.798 7.496 1.00 13.60 C ATOM 761 CG1 ILE A 104 24.757 5.931 8.905 1.00 14.65 C ATOM 762 CG2 ILE A 104 24.526 6.980 6.566 1.00 15.49 C ATOM 763 CD1 ILE A 104 26.258 5.712 8.930 1.00 21.53 C ATOM 764 N ASN A 105 21.896 5.000 5.313 1.00 10.41 N ATOM 765 CA ASN A 105 21.206 5.200 4.049 1.00 11.33 C ATOM 766 C ASN A 105 19.701 5.094 4.180 1.00 13.91 C ATOM 767 O ASN A 105 18.966 5.815 3.521 1.00 15.03 O ATOM 768 CB ASN A 105 21.681 4.164 2.954 1.00 9.34 C ATOM 769 CG ASN A 105 23.083 4.463 2.464 1.00 17.59 C ATOM 770 OD1 ASN A 105 23.480 5.636 2.398 1.00 18.26 O ATOM 771 ND2 ASN A 105 23.857 3.425 2.144 1.00 15.70 N ATOM 772 N ASN A 106 19.236 4.111 4.939 1.00 13.39 N ATOM 773 CA ASN A 106 17.797 3.852 5.003 1.00 13.60 C ATOM 774 C ASN A 106 17.061 4.688 6.021 1.00 16.49 C ATOM 775 O ASN A 106 15.848 4.882 5.904 1.00 16.67 O ATOM 776 CB ASN A 106 17.533 2.393 5.331 1.00 15.30 C ATOM 777 CG ASN A 106 17.653 1.507 4.133 1.00 30.81 C ATOM 778 OD1 ASN A 106 17.429 1.946 3.012 1.00 32.00 O ATOM 779 ND2 ASN A 106 18.011 0.240 4.358 1.00 36.38 N ATOM 780 N LEU A 107 17.777 5.107 7.054 1.00 12.70 N ATOM 781 CA LEU A 107 17.144 5.812 8.152 1.00 13.29 C ATOM 782 C LEU A 107 17.465 7.271 8.280 1.00 16.73 C ATOM 783 O LEU A 107 17.507 7.814 9.393 1.00 16.57 O ATOM 784 CB LEU A 107 17.329 5.039 9.470 1.00 12.73 C ATOM 785 CG LEU A 107 16.616 3.678 9.491 1.00 15.92 C ATOM 786 CD1 LEU A 107 16.592 3.059 10.893 1.00 15.96 C ATOM 787 CD2 LEU A 107 15.188 3.698 8.887 1.00 20.18 C ATOM 788 N GLY A 108 17.690 7.942 7.150 1.00 14.40 N ATOM 789 CA GLY A 108 17.657 9.381 7.221 1.00 16.04 C ATOM 790 C GLY A 108 18.616 10.306 6.531 1.00 18.71 C ATOM 791 O GLY A 108 18.334 11.483 6.382 1.00 17.98 O ATOM 792 N THR A 109 19.798 9.812 6.231 1.00 14.94 N ATOM 793 CA THR A 109 20.849 10.684 5.737 1.00 18.00 C ATOM 794 C THR A 109 20.673 11.130 4.276 1.00 24.03 C ATOM 795 O THR A 109 21.215 12.166 3.843 1.00 25.42 O ATOM 796 CB THR A 109 22.143 9.899 5.953 1.00 25.50 C ATOM 797 OG1 THR A 109 23.154 10.694 6.557 1.00 35.27 O ATOM 798 CG2 THR A 109 22.556 9.204 4.700 1.00 15.06 C ATOM 799 N ILE A 110 19.962 10.334 3.494 1.00 18.89 N ATOM 800 CA ILE A 110 19.793 10.650 2.094 1.00 18.68 C ATOM 801 C ILE A 110 18.333 10.713 1.701 1.00 22.68 C ATOM 802 O ILE A 110 17.457 10.145 2.364 1.00 22.43 O ATOM 803 CB ILE A 110 20.493 9.605 1.204 1.00 22.62 C ATOM 804 CG1 ILE A 110 19.855 8.234 1.406 1.00 21.72 C ATOM 805 CG2 ILE A 110 21.999 9.603 1.484 1.00 25.36 C ATOM 806 CD1 ILE A 110 20.535 7.144 0.582 1.00 24.15 C ATOM 807 N ALA A 111 18.087 11.370 0.575 1.00 19.51 N ATOM 808 CA ALA A 111 16.736 11.513 0.050 1.00 20.37 C ATOM 809 C ALA A 111 16.132 10.182 -0.314 1.00 24.70 C ATOM 810 O ALA A 111 16.836 9.287 -0.759 1.00 26.02 O ATOM 811 CB ALA A 111 16.752 12.424 -1.208 1.00 21.98 C ATOM 812 N LYS A 112 14.821 10.071 -0.151 1.00 19.81 N ATOM 813 CA LYS A 112 14.085 8.898 -0.582 1.00 19.88 C ATOM 814 C LYS A 112 13.226 9.411 -1.749 1.00 24.50 C ATOM 815 O LYS A 112 12.643 10.481 -1.662 1.00 24.72 O ATOM 816 CB LYS A 112 13.176 8.366 0.551 1.00 22.77 C ATOM 817 CG LYS A 112 13.925 7.561 1.670 1.00 27.23 C ATOM 818 CD LYS A 112 14.102 6.104 1.245 1.00 39.78 C ATOM 819 CE LYS A 112 15.206 5.368 2.032 1.00 44.97 C ATOM 820 NZ LYS A 112 16.613 5.494 1.454 1.00 33.35 N ATOM 821 N SER A 113 13.188 8.661 -2.838 1.00 22.07 N ATOM 822 CA SER A 113 12.439 9.023 -4.031 1.00 23.23 C ATOM 823 C SER A 113 11.010 9.520 -3.786 1.00 28.52 C ATOM 824 O SER A 113 10.514 10.407 -4.491 1.00 26.51 O ATOM 825 CB SER A 113 12.311 7.788 -4.941 1.00 26.64 C ATOM 826 OG SER A 113 13.548 7.140 -5.114 1.00 44.39 O ATOM 827 N GLY A 114 10.295 8.863 -2.882 1.00 25.23 N ATOM 828 CA GLY A 114 8.892 9.197 -2.737 1.00 25.10 C ATOM 829 C GLY A 114 8.513 10.258 -1.723 1.00 27.24 C ATOM 830 O GLY A 114 7.337 10.609 -1.594 1.00 24.85 O ATOM 831 N THR A 115 9.499 10.817 -1.044 1.00 22.22 N ATOM 832 CA THR A 115 9.190 11.783 0.008 1.00 20.94 C ATOM 833 C THR A 115 8.333 12.976 -0.402 1.00 22.72 C ATOM 834 O THR A 115 7.331 13.274 0.242 1.00 21.58 O ATOM 835 CB THR A 115 10.446 12.243 0.766 1.00 24.72 C ATOM 836 OG1 THR A 115 11.270 11.112 1.063 1.00 25.34 O ATOM 837 CG2 THR A 115 10.043 12.946 2.064 1.00 20.66 C ATOM 838 N LYS A 116 8.805 13.716 -1.398 1.00 19.65 N ATOM 839 CA LYS A 116 8.123 14.925 -1.833 1.00 19.00 C ATOM 840 C LYS A 116 6.705 14.617 -2.288 1.00 21.05 C ATOM 841 O LYS A 116 5.737 15.288 -1.893 1.00 21.25 O ATOM 842 CB LYS A 116 8.919 15.592 -2.964 1.00 21.52 C ATOM 843 CG LYS A 116 9.998 16.547 -2.468 1.00 37.95 C ATOM 844 CD LYS A 116 10.731 17.207 -3.630 1.00 46.42 C ATOM 845 CE LYS A 116 11.797 16.283 -4.198 1.00 57.73 C ATOM 846 NZ LYS A 116 12.676 16.988 -5.170 1.00 70.70 N ATOM 847 N ALA A 117 6.576 13.615 -3.143 1.00 19.33 N ATOM 848 CA ALA A 117 5.265 13.268 -3.655 1.00 20.05 C ATOM 849 C ALA A 117 4.354 12.835 -2.539 1.00 22.22 C ATOM 850 O ALA A 117 3.148 13.115 -2.547 1.00 24.34 O ATOM 851 CB ALA A 117 5.377 12.184 -4.707 1.00 21.42 C ATOM 852 N PHE A 118 4.917 12.164 -1.547 1.00 19.17 N ATOM 853 CA PHE A 118 4.101 11.710 -0.451 1.00 17.60 C ATOM 854 C PHE A 118 3.606 12.870 0.372 1.00 20.62 C ATOM 855 O PHE A 118 2.427 12.943 0.710 1.00 20.10 O ATOM 856 CB PHE A 118 4.781 10.657 0.405 1.00 19.17 C ATOM 857 CG PHE A 118 3.902 10.165 1.528 1.00 20.64 C ATOM 858 CD1 PHE A 118 2.605 9.735 1.252 1.00 23.53 C ATOM 859 CD2 PHE A 118 4.269 10.342 2.856 1.00 22.57 C ATOM 860 CE1 PHE A 118 1.751 9.333 2.278 1.00 23.39 C ATOM 861 CE2 PHE A 118 3.422 9.941 3.883 1.00 25.60 C ATOM 862 CZ PHE A 118 2.169 9.429 3.587 1.00 24.15 C ATOM 863 N MET A 119 4.471 13.850 0.606 1.00 19.10 N ATOM 864 CA MET A 119 4.052 15.029 1.352 1.00 17.59 C ATOM 865 C MET A 119 2.969 15.744 0.549 1.00 22.79 C ATOM 866 O MET A 119 1.991 16.204 1.116 1.00 20.58 O ATOM 867 CB MET A 119 5.239 15.949 1.590 1.00 19.06 C ATOM 868 CG MET A 119 6.266 15.327 2.503 1.00 22.34 C ATOM 869 SD MET A 119 7.397 16.526 3.157 1.00 27.08 S ATOM 870 CE MET A 119 8.322 16.838 1.668 1.00 23.43 C ATOM 871 N GLU A 120 3.144 15.827 -0.774 1.00 19.59 N ATOM 872 CA GLU A 120 2.134 16.501 -1.586 1.00 20.07 C ATOM 873 C GLU A 120 0.785 15.788 -1.509 1.00 24.27 C ATOM 874 O GLU A 120 -0.243 16.431 -1.450 1.00 25.73 O ATOM 875 CB GLU A 120 2.607 16.708 -3.041 1.00 20.88 C ATOM 876 CG GLU A 120 3.730 17.734 -3.132 1.00 28.26 C ATOM 877 CD GLU A 120 4.264 17.945 -4.533 1.00 44.88 C ATOM 878 OE1 GLU A 120 5.498 18.035 -4.679 1.00 35.33 O ATOM 879 OE2 GLU A 120 3.458 18.138 -5.467 1.00 29.99 O ATOM 880 N ALA A 121 0.805 14.461 -1.448 1.00 20.35 N ATOM 881 CA ALA A 121 -0.415 13.664 -1.309 1.00 20.82 C ATOM 882 C ALA A 121 -1.050 13.909 0.046 1.00 24.37 C ATOM 883 O ALA A 121 -2.267 14.049 0.153 1.00 21.76 O ATOM 884 CB ALA A 121 -0.090 12.217 -1.452 1.00 21.77 C ATOM 885 N LEU A 122 -0.231 13.965 1.093 1.00 20.73 N ATOM 886 CA LEU A 122 -0.771 14.196 2.430 1.00 22.92 C ATOM 887 C LEU A 122 -1.441 15.545 2.454 1.00 30.23 C ATOM 888 O LEU A 122 -2.586 15.692 2.901 1.00 29.68 O ATOM 889 CB LEU A 122 0.334 14.154 3.469 1.00 23.89 C ATOM 890 CG LEU A 122 0.787 12.754 3.848 1.00 27.42 C ATOM 891 CD1 LEU A 122 1.846 12.916 4.967 1.00 26.47 C ATOM 892 CD2 LEU A 122 -0.393 11.901 4.329 1.00 25.55 C ATOM 893 N GLN A 123 -0.736 16.523 1.915 1.00 28.92 N ATOM 894 CA GLN A 123 -1.242 17.883 1.858 1.00 30.05 C ATOM 895 C GLN A 123 -2.576 17.992 1.118 1.00 36.66 C ATOM 896 O GLN A 123 -3.388 18.857 1.442 1.00 37.79 O ATOM 897 CB GLN A 123 -0.161 18.832 1.318 1.00 31.28 C ATOM 898 CG GLN A 123 1.019 18.942 2.304 1.00 32.96 C ATOM 899 CD GLN A 123 2.241 19.646 1.733 1.00 56.61 C ATOM 900 OE1 GLN A 123 2.901 20.425 2.426 1.00 53.80 O ATOM 901 NE2 GLN A 123 2.594 19.314 0.495 1.00 48.10 N ATOM 902 N ALA A 124 -2.840 17.039 0.221 1.00 33.68 N ATOM 903 CA ALA A 124 -4.091 16.970 -0.528 1.00 34.42 C ATOM 904 C ALA A 124 -5.152 16.172 0.224 1.00 41.83 C ATOM 905 O ALA A 124 -6.277 16.008 -0.263 1.00 42.45 O ATOM 906 CB ALA A 124 -3.855 16.347 -1.891 1.00 34.81 C ATOM 907 N GLY A 125 -4.792 15.634 1.387 1.00 37.74 N ATOM 908 CA GLY A 125 -5.745 14.866 2.166 1.00 36.26 C ATOM 909 C GLY A 125 -5.657 13.357 2.024 1.00 37.25 C ATOM 910 O GLY A 125 -6.574 12.638 2.424 1.00 37.61 O ATOM 911 N ALA A 126 -4.554 12.861 1.469 1.00 30.10 N ATOM 912 CA ALA A 126 -4.393 11.426 1.331 1.00 28.02 C ATOM 913 C ALA A 126 -4.427 10.812 2.733 1.00 28.17 C ATOM 914 O ALA A 126 -4.161 11.489 3.738 1.00 26.80 O ATOM 915 CB ALA A 126 -3.061 11.097 0.643 1.00 28.70 C ATOM 916 N ASP A 127 -4.750 9.529 2.797 1.00 24.03 N ATOM 917 CA ASP A 127 -4.743 8.863 4.071 1.00 24.21 C ATOM 918 C ASP A 127 -3.306 8.467 4.357 1.00 25.78 C ATOM 919 O ASP A 127 -2.557 8.091 3.445 1.00 25.28 O ATOM 920 CB ASP A 127 -5.620 7.630 4.077 1.00 27.13 C ATOM 921 CG ASP A 127 -5.871 7.120 5.489 1.00 35.74 C ATOM 922 OD1 ASP A 127 -6.640 7.780 6.266 1.00 34.21 O ATOM 923 OD2 ASP A 127 -5.258 6.082 5.813 1.00 35.15 O ATOM 924 N ILE A 128 -2.925 8.584 5.622 1.00 20.38 N ATOM 925 CA ILE A 128 -1.565 8.258 6.024 1.00 19.44 C ATOM 926 C ILE A 128 -1.182 6.826 5.607 1.00 19.51 C ATOM 927 O ILE A 128 -0.006 6.513 5.426 1.00 16.34 O ATOM 928 CB ILE A 128 -1.371 8.497 7.534 1.00 21.80 C ATOM 929 CG1 ILE A 128 0.126 8.560 7.880 1.00 22.17 C ATOM 930 CG2 ILE A 128 -2.100 7.421 8.329 1.00 23.27 C ATOM 931 CD1 ILE A 128 0.817 9.861 7.471 1.00 25.31 C ATOM 932 N SER A 129 -2.181 5.957 5.454 1.00 21.38 N ATOM 933 CA SER A 129 -1.942 4.578 5.042 1.00 21.77 C ATOM 934 C SER A 129 -1.127 4.410 3.746 1.00 23.34 C ATOM 935 O SER A 129 -0.510 3.377 3.525 1.00 22.73 O ATOM 936 CB SER A 129 -3.272 3.825 4.938 1.00 28.31 C ATOM 937 OG SER A 129 -3.052 2.487 4.509 1.00 43.74 O ATOM 938 N MET A 130 -1.115 5.434 2.903 1.00 23.13 N ATOM 939 CA MET A 130 -0.373 5.399 1.633 1.00 24.69 C ATOM 940 C MET A 130 1.134 5.452 1.840 1.00 24.33 C ATOM 941 O MET A 130 1.932 5.159 0.927 1.00 24.37 O ATOM 942 CB MET A 130 -0.801 6.606 0.782 1.00 29.03 C ATOM 943 CG MET A 130 -2.214 6.482 0.252 1.00 35.81 C ATOM 944 SD MET A 130 -2.246 4.970 -0.710 1.00 42.20 S ATOM 945 CE MET A 130 -1.226 5.523 -2.151 1.00 38.51 C ATOM 946 N ILE A 131 1.534 5.821 3.048 1.00 20.12 N ATOM 947 CA ILE A 131 2.964 6.005 3.359 1.00 18.31 C ATOM 948 C ILE A 131 3.888 4.886 2.885 1.00 22.09 C ATOM 949 O ILE A 131 5.016 5.139 2.450 1.00 22.08 O ATOM 950 CB ILE A 131 3.164 6.323 4.866 1.00 18.90 C ATOM 951 CG1 ILE A 131 4.622 6.755 5.154 1.00 20.36 C ATOM 952 CG2 ILE A 131 2.834 5.110 5.686 1.00 16.60 C ATOM 953 CD1 ILE A 131 4.813 7.471 6.492 1.00 17.99 C ATOM 954 N GLY A 132 3.463 3.647 3.084 1.00 20.70 N ATOM 955 CA GLY A 132 4.282 2.500 2.720 1.00 20.23 C ATOM 956 C GLY A 132 4.599 2.465 1.229 1.00 23.01 C ATOM 957 O GLY A 132 5.735 2.217 0.835 1.00 21.90 O ATOM 958 N GLN A 133 3.586 2.677 0.394 1.00 20.19 N ATOM 959 CA GLN A 133 3.848 2.669 -1.048 1.00 21.08 C ATOM 960 C GLN A 133 4.918 3.656 -1.463 1.00 24.31 C ATOM 961 O GLN A 133 5.563 3.484 -2.516 1.00 23.67 O ATOM 962 CB GLN A 133 2.567 2.985 -1.804 1.00 22.68 C ATOM 963 CG GLN A 133 1.474 1.981 -1.600 1.00 27.50 C ATOM 964 CD GLN A 133 0.143 2.515 -2.075 1.00 51.11 C ATOM 965 OE1 GLN A 133 0.040 3.035 -3.180 1.00 45.55 O ATOM 966 NE2 GLN A 133 -0.856 2.485 -1.203 1.00 46.27 N ATOM 967 N PHE A 134 5.007 4.769 -0.731 1.00 21.11 N ATOM 968 CA PHE A 134 5.947 5.829 -1.084 1.00 20.39 C ATOM 969 C PHE A 134 7.375 5.587 -0.620 1.00 25.35 C ATOM 970 O PHE A 134 8.241 6.427 -0.845 1.00 27.14 O ATOM 971 CB PHE A 134 5.453 7.197 -0.625 1.00 21.91 C ATOM 972 CG PHE A 134 4.305 7.734 -1.426 1.00 22.25 C ATOM 973 CD1 PHE A 134 3.006 7.444 -1.074 1.00 25.23 C ATOM 974 CD2 PHE A 134 4.542 8.613 -2.498 1.00 25.82 C ATOM 975 CE1 PHE A 134 1.943 7.996 -1.775 1.00 25.78 C ATOM 976 CE2 PHE A 134 3.498 9.176 -3.193 1.00 27.12 C ATOM 977 CZ PHE A 134 2.207 8.863 -2.856 1.00 25.92 C ATOM 978 N GLY A 135 7.620 4.449 0.028 1.00 19.19 N ATOM 979 CA GLY A 135 8.962 4.068 0.436 1.00 19.37 C ATOM 980 C GLY A 135 9.416 4.697 1.739 1.00 21.45 C ATOM 981 O GLY A 135 10.544 4.473 2.169 1.00 21.18 O ATOM 982 N VAL A 136 8.535 5.458 2.377 1.00 19.90 N ATOM 983 CA VAL A 136 8.881 6.110 3.649 1.00 19.41 C ATOM 984 C VAL A 136 8.092 5.513 4.808 1.00 20.62 C ATOM 985 O VAL A 136 7.852 6.208 5.800 1.00 17.65 O ATOM 986 CB VAL A 136 8.724 7.668 3.575 1.00 22.46 C ATOM 987 CG1 VAL A 136 9.900 8.270 2.785 1.00 22.08 C ATOM 988 CG2 VAL A 136 7.431 8.047 2.876 1.00 21.81 C ATOM 989 N GLY A 137 7.690 4.245 4.684 1.00 17.58 N ATOM 990 CA GLY A 137 6.871 3.599 5.715 1.00 16.46 C ATOM 991 C GLY A 137 7.435 3.632 7.122 1.00 15.38 C ATOM 992 O GLY A 137 6.685 3.727 8.104 1.00 14.33 O ATOM 993 N PHE A 138 8.760 3.565 7.252 1.00 12.04 N ATOM 994 CA PHE A 138 9.348 3.531 8.613 1.00 12.22 C ATOM 995 C PHE A 138 8.874 4.734 9.461 1.00 10.10 C ATOM 996 O PHE A 138 8.594 4.606 10.646 1.00 11.66 O ATOM 997 CB PHE A 138 10.881 3.574 8.490 1.00 14.93 C ATOM 998 CG PHE A 138 11.552 3.906 9.779 1.00 15.45 C ATOM 999 CD1 PHE A 138 11.487 3.005 10.843 1.00 17.40 C ATOM 1000 CD2 PHE A 138 12.100 5.157 9.989 1.00 15.53 C ATOM 1001 CE1 PHE A 138 12.026 3.340 12.080 1.00 17.69 C ATOM 1002 CE2 PHE A 138 12.671 5.479 11.212 1.00 15.05 C ATOM 1003 CZ PHE A 138 12.607 4.583 12.256 1.00 14.28 C ATOM 1004 N TYR A 139 8.793 5.891 8.817 1.00 9.11 N ATOM 1005 CA TYR A 139 8.445 7.140 9.511 1.00 8.88 C ATOM 1006 C TYR A 139 7.060 7.183 10.098 1.00 11.12 C ATOM 1007 O TYR A 139 6.767 8.015 10.967 1.00 12.08 O ATOM 1008 CB TYR A 139 8.740 8.339 8.592 1.00 9.01 C ATOM 1009 CG TYR A 139 10.245 8.434 8.318 1.00 10.90 C ATOM 1010 CD1 TYR A 139 11.140 8.819 9.314 1.00 12.55 C ATOM 1011 CD2 TYR A 139 10.766 7.982 7.108 1.00 12.38 C ATOM 1012 CE1 TYR A 139 12.559 8.822 9.063 1.00 13.38 C ATOM 1013 CE2 TYR A 139 12.132 8.017 6.831 1.00 12.73 C ATOM 1014 CZ TYR A 139 13.024 8.444 7.807 1.00 13.76 C ATOM 1015 OH TYR A 139 14.391 8.317 7.574 1.00 14.85 O ATOM 1016 N SER A 140 6.217 6.236 9.698 1.00 11.75 N ATOM 1017 CA SER A 140 4.894 6.085 10.318 1.00 13.35 C ATOM 1018 C SER A 140 5.009 5.803 11.825 1.00 13.52 C ATOM 1019 O SER A 140 4.061 6.098 12.614 1.00 13.01 O ATOM 1020 CB SER A 140 4.112 4.934 9.642 1.00 14.41 C ATOM 1021 OG SER A 140 4.707 3.688 9.931 1.00 11.28 O ATOM 1022 N ALA A 141 6.201 5.364 12.269 1.00 10.64 N ATOM 1023 CA ALA A 141 6.382 5.110 13.680 1.00 11.53 C ATOM 1024 C ALA A 141 6.120 6.421 14.443 1.00 12.53 C ATOM 1025 O ALA A 141 5.669 6.393 15.584 1.00 13.27 O ATOM 1026 CB ALA A 141 7.788 4.582 14.005 1.00 11.20 C ATOM 1027 N TYR A 142 6.460 7.547 13.831 1.00 13.00 N ATOM 1028 CA TYR A 142 6.279 8.846 14.486 1.00 11.23 C ATOM 1029 C TYR A 142 4.837 9.356 14.622 1.00 13.78 C ATOM 1030 O TYR A 142 4.554 10.388 15.272 1.00 13.29 O ATOM 1031 CB TYR A 142 7.223 9.903 13.922 1.00 10.06 C ATOM 1032 CG TYR A 142 8.669 9.597 14.261 1.00 9.05 C ATOM 1033 CD1 TYR A 142 9.194 9.989 15.484 1.00 12.12 C ATOM 1034 CD2 TYR A 142 9.428 8.761 13.449 1.00 10.94 C ATOM 1035 CE1 TYR A 142 10.505 9.686 15.851 1.00 11.01 C ATOM 1036 CE2 TYR A 142 10.740 8.390 13.821 1.00 12.79 C ATOM 1037 CZ TYR A 142 11.235 8.819 15.041 1.00 13.07 C ATOM 1038 OH TYR A 142 12.515 8.494 15.397 1.00 13.98 O ATOM 1039 N LEU A 143 3.918 8.595 14.061 1.00 12.24 N ATOM 1040 CA LEU A 143 2.500 8.887 14.220 1.00 11.48 C ATOM 1041 C LEU A 143 2.137 8.563 15.652 1.00 15.31 C ATOM 1042 O LEU A 143 1.278 9.228 16.220 1.00 14.83 O ATOM 1043 CB LEU A 143 1.676 7.959 13.316 1.00 11.16 C ATOM 1044 CG LEU A 143 1.787 8.260 11.821 1.00 14.47 C ATOM 1045 CD1 LEU A 143 1.108 7.099 11.052 1.00 15.66 C ATOM 1046 CD2 LEU A 143 1.165 9.602 11.436 1.00 14.07 C ATOM 1047 N VAL A 144 2.801 7.552 16.222 1.00 10.48 N ATOM 1048 CA VAL A 144 2.475 7.092 17.586 1.00 8.84 C ATOM 1049 C VAL A 144 3.582 7.227 18.650 1.00 13.32 C ATOM 1050 O VAL A 144 3.297 7.109 19.849 1.00 13.45 O ATOM 1051 CB VAL A 144 1.964 5.623 17.587 1.00 13.19 C ATOM 1052 CG1 VAL A 144 0.672 5.472 16.684 1.00 12.63 C ATOM 1053 CG2 VAL A 144 3.087 4.710 17.074 1.00 13.90 C ATOM 1054 N ALA A 145 4.827 7.377 18.216 1.00 12.23 N ATOM 1055 CA ALA A 145 5.957 7.405 19.145 1.00 11.67 C ATOM 1056 C ALA A 145 6.659 8.749 19.182 1.00 15.17 C ATOM 1057 O ALA A 145 6.790 9.409 18.128 1.00 14.30 O ATOM 1058 CB ALA A 145 6.962 6.327 18.695 1.00 11.47 C ATOM 1059 N GLU A 146 7.072 9.182 20.374 1.00 13.81 N ATOM 1060 CA GLU A 146 7.845 10.406 20.507 1.00 14.08 C ATOM 1061 C GLU A 146 9.328 10.154 20.394 1.00 15.86 C ATOM 1062 O GLU A 146 10.109 11.096 20.143 1.00 16.89 O ATOM 1063 CB GLU A 146 7.562 11.127 21.821 1.00 16.38 C ATOM 1064 CG GLU A 146 7.418 10.188 22.986 1.00 21.57 C ATOM 1065 CD GLU A 146 6.898 10.911 24.219 1.00 41.20 C ATOM 1066 OE1 GLU A 146 6.335 12.015 24.076 1.00 38.30 O ATOM 1067 OE2 GLU A 146 7.042 10.370 25.327 1.00 30.88 O ATOM 1068 N LYS A 147 9.710 8.890 20.518 1.00 11.44 N ATOM 1069 CA LYS A 147 11.101 8.504 20.324 1.00 11.10 C ATOM 1070 C LYS A 147 11.113 7.095 19.791 1.00 11.19 C ATOM 1071 O LYS A 147 10.288 6.264 20.211 1.00 11.97 O ATOM 1072 CB LYS A 147 11.852 8.582 21.637 1.00 11.41 C ATOM 1073 CG LYS A 147 13.286 8.161 21.560 1.00 15.30 C ATOM 1074 CD LYS A 147 13.980 8.420 22.880 1.00 25.79 C ATOM 1075 CE LYS A 147 15.221 7.535 23.034 1.00 44.92 C ATOM 1076 NZ LYS A 147 16.006 7.828 24.285 1.00 40.25 N ATOM 1077 N VAL A 148 12.040 6.804 18.879 1.00 10.13 N ATOM 1078 CA VAL A 148 12.152 5.468 18.302 1.00 9.22 C ATOM 1079 C VAL A 148 13.612 5.080 18.359 1.00 13.14 C ATOM 1080 O VAL A 148 14.473 5.913 18.073 1.00 12.47 O ATOM 1081 CB VAL A 148 11.651 5.430 16.833 1.00 13.06 C ATOM 1082 CG1 VAL A 148 11.912 4.034 16.175 1.00 12.78 C ATOM 1083 CG2 VAL A 148 10.169 5.861 16.747 1.00 13.72 C ATOM 1084 N THR A 149 13.870 3.856 18.799 1.00 10.69 N ATOM 1085 CA THR A 149 15.238 3.320 18.847 1.00 10.39 C ATOM 1086 C THR A 149 15.208 2.097 17.932 1.00 13.39 C ATOM 1087 O THR A 149 14.262 1.317 17.998 1.00 14.11 O ATOM 1088 CB THR A 149 15.600 2.885 20.274 1.00 13.32 C ATOM 1089 OG1 THR A 149 15.480 4.008 21.177 1.00 15.60 O ATOM 1090 CG2 THR A 149 17.051 2.337 20.338 1.00 16.49 C ATOM 1091 N VAL A 150 16.195 1.958 17.056 1.00 11.13 N ATOM 1092 CA VAL A 150 16.303 0.793 16.183 1.00 9.36 C ATOM 1093 C VAL A 150 17.674 0.162 16.508 1.00 12.99 C ATOM 1094 O VAL A 150 18.714 0.775 16.258 1.00 12.61 O ATOM 1095 CB VAL A 150 16.240 1.204 14.716 1.00 12.78 C ATOM 1096 CG1 VAL A 150 16.526 0.026 13.781 1.00 13.27 C ATOM 1097 CG2 VAL A 150 14.895 1.935 14.389 1.00 11.86 C ATOM 1098 N ILE A 151 17.651 -1.074 17.020 1.00 10.82 N ATOM 1099 CA ILE A 151 18.885 -1.822 17.371 1.00 8.02 C ATOM 1100 C ILE A 151 18.997 -2.870 16.265 1.00 12.93 C ATOM 1101 O ILE A 151 18.026 -3.561 15.982 1.00 11.59 O ATOM 1102 CB ILE A 151 18.786 -2.511 18.746 1.00 10.96 C ATOM 1103 CG1 ILE A 151 18.303 -1.537 19.859 1.00 13.55 C ATOM 1104 CG2 ILE A 151 20.138 -3.145 19.080 1.00 14.77 C ATOM 1105 CD1 ILE A 151 19.237 -0.393 20.059 1.00 26.59 C ATOM 1106 N THR A 152 20.154 -2.966 15.607 1.00 11.15 N ATOM 1107 CA THR A 152 20.269 -3.905 14.498 1.00 9.43 C ATOM 1108 C THR A 152 21.609 -4.624 14.499 1.00 12.53 C ATOM 1109 O THR A 152 22.622 -4.057 14.914 1.00 11.74 O ATOM 1110 CB THR A 152 19.975 -3.164 13.155 1.00 11.67 C ATOM 1111 OG1 THR A 152 19.808 -4.108 12.086 1.00 15.67 O ATOM 1112 CG2 THR A 152 21.097 -2.189 12.848 1.00 11.33 C ATOM 1113 N LYS A 153 21.617 -5.845 13.970 1.00 11.48 N ATOM 1114 CA LYS A 153 22.833 -6.632 13.885 1.00 10.89 C ATOM 1115 C LYS A 153 22.811 -7.473 12.629 1.00 14.36 C ATOM 1116 O LYS A 153 21.865 -8.234 12.393 1.00 12.10 O ATOM 1117 CB LYS A 153 22.990 -7.516 15.118 1.00 13.18 C ATOM 1118 CG LYS A 153 24.187 -8.488 15.020 1.00 17.47 C ATOM 1119 CD LYS A 153 25.515 -7.786 15.119 1.00 17.07 C ATOM 1120 CE LYS A 153 26.701 -8.817 15.216 1.00 16.02 C ATOM 1121 NZ LYS A 153 26.959 -9.498 13.910 1.00 17.25 N ATOM 1122 N HIS A 154 23.782 -7.215 11.765 1.00 11.89 N ATOM 1123 CA HIS A 154 23.951 -7.940 10.503 1.00 11.26 C ATOM 1124 C HIS A 154 25.221 -8.808 10.633 1.00 15.53 C ATOM 1125 O HIS A 154 26.185 -8.385 11.268 1.00 13.86 O ATOM 1126 CB HIS A 154 24.199 -6.894 9.377 1.00 11.80 C ATOM 1127 CG HIS A 154 24.241 -7.481 7.998 1.00 14.89 C ATOM 1128 ND1 HIS A 154 23.191 -7.351 7.105 1.00 16.63 N ATOM 1129 CD2 HIS A 154 25.188 -8.208 7.364 1.00 16.63 C ATOM 1130 CE1 HIS A 154 23.511 -7.947 5.966 1.00 15.89 C ATOM 1131 NE2 HIS A 154 24.702 -8.501 6.107 1.00 17.52 N ATOM 1132 N ASN A 155 25.214 -9.980 9.997 1.00 12.78 N ATOM 1133 CA ASN A 155 26.390 -10.863 9.952 1.00 14.98 C ATOM 1134 C ASN A 155 27.593 -10.076 9.447 1.00 17.44 C ATOM 1135 O ASN A 155 27.476 -9.284 8.521 1.00 17.96 O ATOM 1136 CB ASN A 155 26.139 -12.039 8.992 1.00 15.92 C ATOM 1137 CG ASN A 155 25.154 -13.060 9.547 1.00 20.80 C ATOM 1138 OD1 ASN A 155 24.547 -13.832 8.792 1.00 22.39 O ATOM 1139 ND2 ASN A 155 24.976 -13.060 10.845 1.00 11.61 N ATOM 1140 N ASP A 156 28.765 -10.330 10.027 1.00 18.61 N ATOM 1141 CA ASP A 156 30.000 -9.670 9.573 1.00 20.40 C ATOM 1142 C ASP A 156 30.088 -8.195 9.930 1.00 25.25 C ATOM 1143 O ASP A 156 30.941 -7.475 9.391 1.00 25.59 O ATOM 1144 CB ASP A 156 30.200 -9.815 8.049 1.00 22.80 C ATOM 1145 CG ASP A 156 30.016 -11.257 7.553 1.00 40.04 C ATOM 1146 OD1 ASP A 156 30.550 -12.196 8.190 1.00 41.92 O ATOM 1147 OD2 ASP A 156 29.350 -11.440 6.506 1.00 46.30 O ATOM 1148 N ASP A 157 29.167 -7.702 10.758 1.00 19.00 N ATOM 1149 CA ASP A 157 29.233 -6.305 11.183 1.00 17.70 C ATOM 1150 C ASP A 157 28.933 -6.316 12.668 1.00 19.80 C ATOM 1151 O ASP A 157 28.531 -7.358 13.204 1.00 19.22 O ATOM 1152 CB ASP A 157 28.252 -5.410 10.401 1.00 18.43 C ATOM 1153 CG ASP A 157 28.641 -3.914 10.445 1.00 23.94 C ATOM 1154 OD1 ASP A 157 29.528 -3.544 11.244 1.00 22.12 O ATOM 1155 OD2 ASP A 157 28.106 -3.106 9.645 1.00 27.89 O ATOM 1156 N GLU A 158 29.171 -5.197 13.350 1.00 14.79 N ATOM 1157 CA GLU A 158 28.846 -5.119 14.782 1.00 15.66 C ATOM 1158 C GLU A 158 27.428 -4.587 14.979 1.00 17.37 C ATOM 1159 O GLU A 158 26.753 -4.166 14.009 1.00 19.28 O ATOM 1160 CB GLU A 158 29.857 -4.275 15.575 1.00 17.34 C ATOM 1161 CG GLU A 158 30.038 -2.900 15.036 1.00 22.20 C ATOM 1162 CD GLU A 158 31.236 -2.843 14.085 1.00 64.37 C ATOM 1163 OE1 GLU A 158 31.034 -3.030 12.866 1.00 61.89 O ATOM 1164 OE2 GLU A 158 32.391 -2.735 14.568 1.00 66.52 O ATOM 1165 N GLN A 159 26.951 -4.623 16.217 1.00 13.26 N ATOM 1166 CA GLN A 159 25.590 -4.172 16.466 1.00 10.81 C ATOM 1167 C GLN A 159 25.561 -2.660 16.592 1.00 14.62 C ATOM 1168 O GLN A 159 26.449 -2.050 17.220 1.00 14.70 O ATOM 1169 CB GLN A 159 25.051 -4.840 17.732 1.00 12.70 C ATOM 1170 CG GLN A 159 23.653 -4.422 18.113 1.00 12.09 C ATOM 1171 CD GLN A 159 23.103 -5.377 19.153 1.00 16.10 C ATOM 1172 OE1 GLN A 159 23.237 -6.575 18.977 1.00 20.10 O ATOM 1173 NE2 GLN A 159 22.662 -4.853 20.290 1.00 16.30 N ATOM 1174 N TYR A 160 24.506 -2.055 16.055 1.00 10.64 N ATOM 1175 CA TYR A 160 24.349 -0.607 16.120 1.00 12.11 C ATOM 1176 C TYR A 160 22.980 -0.257 16.665 1.00 15.54 C ATOM 1177 O TYR A 160 22.029 -1.051 16.592 1.00 13.61 O ATOM 1178 CB TYR A 160 24.390 -0.004 14.714 1.00 13.47 C ATOM 1179 CG TYR A 160 25.699 -0.225 14.020 1.00 14.40 C ATOM 1180 CD1 TYR A 160 26.791 0.554 14.345 1.00 15.22 C ATOM 1181 CD2 TYR A 160 25.834 -1.208 13.041 1.00 17.74 C ATOM 1182 CE1 TYR A 160 28.060 0.263 13.797 1.00 15.27 C ATOM 1183 CE2 TYR A 160 27.048 -1.446 12.432 1.00 18.77 C ATOM 1184 CZ TYR A 160 28.149 -0.710 12.819 1.00 25.01 C ATOM 1185 OH TYR A 160 29.327 -0.938 12.189 1.00 21.48 O ATOM 1186 N ALA A 161 22.873 0.958 17.178 1.00 12.83 N ATOM 1187 CA ALA A 161 21.589 1.458 17.678 1.00 13.47 C ATOM 1188 C ALA A 161 21.418 2.852 17.084 1.00 19.25 C ATOM 1189 O ALA A 161 22.223 3.757 17.365 1.00 17.65 O ATOM 1190 CB ALA A 161 21.585 1.585 19.196 1.00 15.03 C ATOM 1191 N TRP A 162 20.334 3.013 16.333 1.00 11.37 N ATOM 1192 CA TRP A 162 19.901 4.284 15.757 1.00 11.93 C ATOM 1193 C TRP A 162 18.822 4.843 16.695 1.00 13.43 C ATOM 1194 O TRP A 162 18.035 4.083 17.288 1.00 11.17 O ATOM 1195 CB TRP A 162 19.290 3.988 14.391 1.00 11.20 C ATOM 1196 CG TRP A 162 18.703 5.110 13.666 1.00 11.05 C ATOM 1197 CD1 TRP A 162 19.242 5.723 12.556 1.00 13.83 C ATOM 1198 CD2 TRP A 162 17.387 5.680 13.842 1.00 10.52 C ATOM 1199 NE1 TRP A 162 18.376 6.679 12.084 1.00 14.32 N ATOM 1200 CE2 TRP A 162 17.198 6.605 12.788 1.00 12.93 C ATOM 1201 CE3 TRP A 162 16.302 5.401 14.705 1.00 10.06 C ATOM 1202 CZ2 TRP A 162 16.005 7.324 12.624 1.00 11.88 C ATOM 1203 CZ3 TRP A 162 15.133 6.162 14.573 1.00 12.35 C ATOM 1204 CH2 TRP A 162 15.012 7.140 13.547 1.00 11.79 C ATOM 1205 N GLU A 163 18.775 6.159 16.857 1.00 11.67 N ATOM 1206 CA GLU A 163 17.795 6.726 17.782 1.00 12.38 C ATOM 1207 C GLU A 163 17.416 8.097 17.325 1.00 15.49 C ATOM 1208 O GLU A 163 18.273 8.848 16.871 1.00 11.72 O ATOM 1209 CB GLU A 163 18.349 6.851 19.207 1.00 14.22 C ATOM 1210 CG GLU A 163 17.330 7.185 20.274 1.00 29.05 C ATOM 1211 CD GLU A 163 17.881 6.902 21.679 1.00 59.51 C ATOM 1212 OE1 GLU A 163 18.266 5.745 21.953 1.00 52.14 O ATOM 1213 OE2 GLU A 163 17.979 7.843 22.492 1.00 59.10 O ATOM 1214 N SER A 164 16.136 8.444 17.479 1.00 13.22 N ATOM 1215 CA SER A 164 15.682 9.784 17.116 1.00 11.40 C ATOM 1216 C SER A 164 14.367 10.106 17.800 1.00 14.26 C ATOM 1217 O SER A 164 13.472 9.243 17.932 1.00 13.20 O ATOM 1218 CB SER A 164 15.493 9.944 15.617 1.00 15.08 C ATOM 1219 OG SER A 164 15.115 11.266 15.272 1.00 15.78 O ATOM 1220 N SER A 165 14.304 11.351 18.259 1.00 11.96 N ATOM 1221 CA SER A 165 13.077 11.927 18.795 1.00 11.46 C ATOM 1222 C SER A 165 12.638 13.013 17.810 1.00 15.25 C ATOM 1223 O SER A 165 11.981 13.969 18.193 1.00 14.99 O ATOM 1224 CB SER A 165 13.345 12.480 20.192 1.00 15.79 C ATOM 1225 OG SER A 165 13.647 11.383 21.063 1.00 19.56 O ATOM 1226 N ALA A 166 12.985 12.834 16.539 1.00 13.95 N ATOM 1227 CA ALA A 166 12.642 13.786 15.480 1.00 15.63 C ATOM 1228 C ALA A 166 13.359 15.104 15.720 1.00 19.13 C ATOM 1229 O ALA A 166 14.534 15.088 16.069 1.00 18.11 O ATOM 1230 CB ALA A 166 11.119 13.948 15.345 1.00 17.49 C ATOM 1231 N GLY A 167 12.726 16.249 15.472 1.00 16.84 N ATOM 1232 CA GLY A 167 13.489 17.471 15.695 1.00 16.41 C ATOM 1233 C GLY A 167 14.639 17.669 14.706 1.00 18.82 C ATOM 1234 O GLY A 167 15.529 18.494 14.925 1.00 17.35 O ATOM 1235 N GLY A 168 14.651 16.883 13.633 1.00 13.54 N ATOM 1236 CA GLY A 168 15.651 16.999 12.596 1.00 13.89 C ATOM 1237 C GLY A 168 16.979 16.266 12.797 1.00 12.82 C ATOM 1238 O GLY A 168 17.846 16.376 11.952 1.00 12.72 O ATOM 1239 N SER A 169 17.075 15.445 13.835 1.00 10.91 N ATOM 1240 CA SER A 169 18.352 14.825 14.171 1.00 12.20 C ATOM 1241 C SER A 169 18.165 13.386 14.541 1.00 13.25 C ATOM 1242 O SER A 169 17.108 13.008 15.032 1.00 13.37 O ATOM 1243 CB SER A 169 18.847 15.560 15.439 1.00 16.78 C ATOM 1244 OG SER A 169 20.116 15.145 15.848 1.00 31.62 O ATOM 1245 N PHE A 170 19.219 12.591 14.367 1.00 10.86 N ATOM 1246 CA PHE A 170 19.200 11.192 14.786 1.00 10.19 C ATOM 1247 C PHE A 170 20.630 10.818 15.102 1.00 11.39 C ATOM 1248 O PHE A 170 21.552 11.493 14.668 1.00 14.01 O ATOM 1249 CB PHE A 170 18.623 10.247 13.731 1.00 10.88 C ATOM 1250 CG PHE A 170 19.433 10.138 12.473 1.00 10.56 C ATOM 1251 CD1 PHE A 170 19.172 10.966 11.408 1.00 14.72 C ATOM 1252 CD2 PHE A 170 20.323 9.079 12.293 1.00 12.47 C ATOM 1253 CE1 PHE A 170 19.816 10.774 10.189 1.00 16.09 C ATOM 1254 CE2 PHE A 170 21.011 8.912 11.091 1.00 16.01 C ATOM 1255 CZ PHE A 170 20.711 9.737 10.029 1.00 15.75 C ATOM 1256 N THR A 171 20.817 9.794 15.908 1.00 9.71 N ATOM 1257 CA THR A 171 22.187 9.360 16.191 1.00 10.28 C ATOM 1258 C THR A 171 22.333 7.891 15.783 1.00 15.01 C ATOM 1259 O THR A 171 21.346 7.142 15.780 1.00 14.09 O ATOM 1260 CB THR A 171 22.552 9.513 17.660 1.00 15.34 C ATOM 1261 OG1 THR A 171 21.593 8.808 18.485 1.00 17.97 O ATOM 1262 CG2 THR A 171 22.602 10.995 18.087 1.00 15.25 C ATOM 1263 N VAL A 172 23.576 7.489 15.493 1.00 10.97 N ATOM 1264 CA VAL A 172 23.908 6.084 15.253 1.00 11.54 C ATOM 1265 C VAL A 172 25.057 5.738 16.194 1.00 14.86 C ATOM 1266 O VAL A 172 26.114 6.379 16.165 1.00 13.16 O ATOM 1267 CB VAL A 172 24.309 5.800 13.792 1.00 14.21 C ATOM 1268 CG1 VAL A 172 24.794 4.360 13.661 1.00 16.23 C ATOM 1269 CG2 VAL A 172 23.092 5.973 12.881 1.00 14.59 C ATOM 1270 N ARG A 173 24.811 4.804 17.101 1.00 13.57 N ATOM 1271 CA ARG A 173 25.876 4.408 18.006 1.00 15.72 C ATOM 1272 C ARG A 173 26.254 2.926 17.929 1.00 21.12 C ATOM 1273 O ARG A 173 25.459 2.063 17.537 1.00 17.34 O ATOM 1274 CB ARG A 173 25.559 4.822 19.419 1.00 20.63 C ATOM 1275 CG ARG A 173 24.378 4.167 20.013 1.00 32.56 C ATOM 1276 CD ARG A 173 24.228 4.571 21.476 1.00 46.33 C ATOM 1277 NE ARG A 173 22.987 4.049 22.024 1.00 50.58 N ATOM 1278 CZ ARG A 173 22.843 2.821 22.504 1.00 61.69 C ATOM 1279 NH1 ARG A 173 23.883 1.992 22.539 1.00 47.08 N ATOM 1280 NH2 ARG A 173 21.661 2.430 22.956 1.00 43.55 N ATOM 1281 N THR A 174 27.504 2.626 18.252 1.00 18.97 N ATOM 1282 C THR A 174 27.340 0.746 19.595 1.00 27.91 C ATOM 1283 O THR A 174 27.495 1.396 20.641 1.00 30.64 O ATOM 1284 CA ATHR A 174 27.930 1.239 18.289 0.50 20.89 C ATOM 1285 CB ATHR A 174 29.451 1.145 18.255 0.50 30.49 C ATOM 1286 OG1ATHR A 174 29.983 1.844 19.388 0.50 32.39 O ATOM 1287 CG2ATHR A 174 29.955 1.788 16.984 0.50 27.98 C ATOM 1288 CA BTHR A 174 27.922 1.239 18.282 0.50 20.28 C ATOM 1289 CB BTHR A 174 29.448 1.147 18.140 0.50 22.67 C ATOM 1290 OG1BTHR A 174 29.799 1.747 16.895 0.50 18.44 O ATOM 1291 CG2BTHR A 174 29.939 -0.297 18.166 0.50 22.18 C ATOM 1292 N ASP A 175 26.529 -0.300 19.515 1.00 24.78 N ATOM 1293 CA ASP A 175 25.786 -0.788 20.670 1.00 25.37 C ATOM 1294 C ASP A 175 26.489 -1.941 21.345 1.00 35.76 C ATOM 1295 O ASP A 175 26.680 -2.988 20.744 1.00 37.08 O ATOM 1296 CB ASP A 175 24.387 -1.241 20.203 1.00 25.45 C ATOM 1297 CG ASP A 175 23.424 -1.537 21.355 1.00 30.54 C ATOM 1298 OD1 ASP A 175 23.534 -0.917 22.438 1.00 37.05 O ATOM 1299 OD2 ASP A 175 22.443 -2.262 21.119 1.00 31.49 O ATOM 1300 N THR A 176 26.825 -1.769 22.610 1.00 35.17 N ATOM 1301 CA THR A 176 27.438 -2.871 23.349 1.00 36.91 C ATOM 1302 C THR A 176 26.477 -3.421 24.406 1.00 43.75 C ATOM 1303 O THR A 176 26.864 -4.189 25.279 1.00 43.90 O ATOM 1304 CB THR A 176 28.856 -2.535 23.868 1.00 41.30 C ATOM 1305 OG1 THR A 176 28.875 -1.207 24.405 1.00 43.22 O ATOM 1306 CG2 THR A 176 29.860 -2.620 22.727 1.00 41.27 C ATOM 1307 N GLY A 177 25.200 -3.080 24.259 1.00 42.65 N ATOM 1308 CA GLY A 177 24.148 -3.549 25.149 1.00 42.83 C ATOM 1309 C GLY A 177 23.636 -4.948 24.813 1.00 44.68 C ATOM 1310 O GLY A 177 24.377 -5.780 24.301 1.00 45.53 O ATOM 1311 N GLU A 178 22.370 -5.208 25.133 1.00 37.81 N ATOM 1312 CA GLU A 178 21.744 -6.496 24.857 1.00 35.41 C ATOM 1313 C GLU A 178 22.000 -6.927 23.420 1.00 30.40 C ATOM 1314 O GLU A 178 21.429 -6.355 22.494 1.00 27.76 O ATOM 1315 CB GLU A 178 20.236 -6.396 25.082 1.00 36.92 C ATOM 1316 CG GLU A 178 19.453 -7.641 24.662 1.00 49.72 C ATOM 1317 CD GLU A 178 17.959 -7.447 24.821 1.00 74.52 C ATOM 1318 OE1 GLU A 178 17.565 -6.608 25.664 1.00 57.75 O ATOM 1319 OE2 GLU A 178 17.185 -8.115 24.097 1.00 73.40 O ATOM 1320 N PRO A 179 22.861 -7.931 23.223 1.00 26.11 N ATOM 1321 CA PRO A 179 23.220 -8.458 21.902 1.00 24.95 C ATOM 1322 C PRO A 179 22.054 -9.216 21.316 1.00 26.46 C ATOM 1323 O PRO A 179 21.440 -10.057 21.982 1.00 25.47 O ATOM 1324 CB PRO A 179 24.357 -9.437 22.197 1.00 27.27 C ATOM 1325 CG PRO A 179 24.150 -9.826 23.598 1.00 32.11 C ATOM 1326 CD PRO A 179 23.679 -8.557 24.275 1.00 28.29 C ATOM 1327 N MET A 180 21.776 -8.942 20.057 1.00 22.39 N ATOM 1328 CA MET A 180 20.672 -9.615 19.397 1.00 22.53 C ATOM 1329 C MET A 180 20.980 -10.778 18.517 1.00 22.18 C ATOM 1330 O MET A 180 20.058 -11.384 18.005 1.00 22.35 O ATOM 1331 CB MET A 180 19.765 -8.671 18.642 1.00 26.74 C ATOM 1332 CG MET A 180 20.428 -7.843 17.628 1.00 33.25 C ATOM 1333 SD MET A 180 19.450 -6.359 17.824 1.00 40.91 S ATOM 1334 CE MET A 180 18.436 -6.904 19.232 1.00 36.26 C ATOM 1335 N GLY A 181 22.247 -11.055 18.268 1.00 16.48 N ATOM 1336 CA GLY A 181 22.567 -12.232 17.445 1.00 14.96 C ATOM 1337 C GLY A 181 22.553 -11.815 16.014 1.00 13.74 C ATOM 1338 O GLY A 181 23.590 -11.727 15.346 1.00 14.41 O ATOM 1339 N ARG A 182 21.341 -11.584 15.517 1.00 11.75 N ATOM 1340 CA ARG A 182 21.171 -11.092 14.169 1.00 11.19 C ATOM 1341 C ARG A 182 19.722 -10.641 14.064 1.00 14.68 C ATOM 1342 O ARG A 182 18.821 -11.333 14.542 1.00 14.24 O ATOM 1343 CB ARG A 182 21.373 -12.184 13.126 1.00 12.16 C ATOM 1344 CG ARG A 182 21.266 -11.666 11.665 1.00 13.40 C ATOM 1345 CD ARG A 182 21.039 -12.806 10.651 1.00 15.19 C ATOM 1346 NE ARG A 182 19.755 -13.469 10.873 1.00 13.26 N ATOM 1347 CZ ARG A 182 19.639 -14.698 11.351 1.00 17.83 C ATOM 1348 NH1 ARG A 182 20.759 -15.397 11.627 1.00 12.56 N ATOM 1349 NH2 ARG A 182 18.433 -15.204 11.599 1.00 13.08 N ATOM 1350 N GLY A 183 19.516 -9.524 13.387 1.00 10.72 N ATOM 1351 CA GLY A 183 18.171 -9.004 13.156 1.00 9.64 C ATOM 1352 C GLY A 183 18.009 -7.543 13.558 1.00 14.27 C ATOM 1353 O GLY A 183 18.979 -6.831 13.760 1.00 12.90 O ATOM 1354 N THR A 184 16.759 -7.113 13.709 1.00 11.02 N ATOM 1355 CA THR A 184 16.473 -5.740 14.100 1.00 11.91 C ATOM 1356 C THR A 184 15.408 -5.749 15.194 1.00 14.39 C ATOM 1357 O THR A 184 14.465 -6.573 15.173 1.00 14.83 O ATOM 1358 CB THR A 184 16.032 -4.981 12.827 1.00 17.15 C ATOM 1359 OG1 THR A 184 17.160 -4.897 11.941 1.00 15.54 O ATOM 1360 CG2 THR A 184 15.422 -3.578 13.124 1.00 15.26 C ATOM 1361 N LYS A 185 15.508 -4.770 16.093 1.00 11.62 N ATOM 1362 CA LYS A 185 14.525 -4.583 17.152 1.00 11.80 C ATOM 1363 C LYS A 185 14.159 -3.101 17.087 1.00 14.72 C ATOM 1364 O LYS A 185 15.055 -2.257 17.093 1.00 14.26 O ATOM 1365 CB LYS A 185 15.198 -4.824 18.521 1.00 15.58 C ATOM 1366 CG LYS A 185 14.291 -4.495 19.719 1.00 20.08 C ATOM 1367 CD LYS A 185 15.077 -4.402 21.041 1.00 29.05 C ATOM 1368 CE LYS A 185 15.663 -5.713 21.485 1.00 38.90 C ATOM 1369 NZ LYS A 185 16.379 -5.537 22.793 1.00 41.49 N ATOM 1370 N VAL A 186 12.868 -2.790 16.941 1.00 9.98 N ATOM 1371 CA VAL A 186 12.389 -1.402 16.912 1.00 9.77 C ATOM 1372 C VAL A 186 11.634 -1.127 18.221 1.00 13.80 C ATOM 1373 O VAL A 186 10.650 -1.798 18.522 1.00 11.77 O ATOM 1374 CB VAL A 186 11.492 -1.103 15.694 1.00 13.70 C ATOM 1375 CG1 VAL A 186 11.150 0.395 15.661 1.00 14.03 C ATOM 1376 CG2 VAL A 186 12.244 -1.474 14.419 1.00 13.43 C ATOM 1377 N ILE A 187 12.084 -0.119 18.963 1.00 9.56 N ATOM 1378 CA ILE A 187 11.462 0.218 20.250 1.00 10.18 C ATOM 1379 C ILE A 187 10.732 1.545 20.089 1.00 12.80 C ATOM 1380 O ILE A 187 11.363 2.567 19.831 1.00 12.18 O ATOM 1381 CB ILE A 187 12.518 0.361 21.376 1.00 14.46 C ATOM 1382 CG1 ILE A 187 13.391 -0.892 21.509 1.00 16.20 C ATOM 1383 CG2 ILE A 187 11.816 0.717 22.711 1.00 15.41 C ATOM 1384 CD1 ILE A 187 14.597 -0.681 22.431 1.00 18.17 C ATOM 1385 N LEU A 188 9.408 1.500 20.199 1.00 9.99 N ATOM 1386 CA LEU A 188 8.595 2.687 20.101 1.00 11.19 C ATOM 1387 C LEU A 188 8.248 3.216 21.476 1.00 12.93 C ATOM 1388 O LEU A 188 7.599 2.503 22.277 1.00 13.10 O ATOM 1389 CB LEU A 188 7.283 2.362 19.389 1.00 11.44 C ATOM 1390 CG LEU A 188 7.469 1.628 18.035 1.00 18.33 C ATOM 1391 CD1 LEU A 188 6.100 1.276 17.461 1.00 19.95 C ATOM 1392 CD2 LEU A 188 8.255 2.474 17.065 1.00 20.56 C ATOM 1393 N HIS A 189 8.689 4.435 21.793 1.00 11.90 N ATOM 1394 CA HIS A 189 8.280 5.063 23.079 1.00 12.15 C ATOM 1395 C HIS A 189 7.002 5.820 22.758 1.00 13.55 C ATOM 1396 O HIS A 189 7.036 6.899 22.144 1.00 15.07 O ATOM 1397 CB HIS A 189 9.327 6.036 23.562 1.00 15.69 C ATOM 1398 CG HIS A 189 10.541 5.352 24.085 1.00 20.60 C ATOM 1399 ND1 HIS A 189 11.507 4.825 23.258 1.00 23.00 N ATOM 1400 CD2 HIS A 189 10.849 4.939 25.336 1.00 23.56 C ATOM 1401 CE1 HIS A 189 12.412 4.195 23.990 1.00 22.11 C ATOM 1402 NE2 HIS A 189 12.033 4.249 25.251 1.00 23.80 N ATOM 1403 N LEU A 190 5.866 5.229 23.106 1.00 12.26 N ATOM 1404 CA LEU A 190 4.579 5.752 22.655 1.00 9.80 C ATOM 1405 C LEU A 190 4.216 7.081 23.313 1.00 15.45 C ATOM 1406 O LEU A 190 4.558 7.315 24.469 1.00 14.07 O ATOM 1407 CB LEU A 190 3.464 4.762 22.963 1.00 9.61 C ATOM 1408 CG LEU A 190 3.567 3.431 22.190 1.00 14.06 C ATOM 1409 CD1 LEU A 190 2.407 2.543 22.607 1.00 13.71 C ATOM 1410 CD2 LEU A 190 3.565 3.655 20.688 1.00 13.74 C ATOM 1411 N LYS A 191 3.526 7.918 22.538 1.00 13.16 N ATOM 1412 CA LYS A 191 3.006 9.183 23.033 1.00 12.86 C ATOM 1413 C LYS A 191 1.868 8.872 24.007 1.00 17.27 C ATOM 1414 O LYS A 191 1.236 7.817 23.950 1.00 15.21 O ATOM 1415 CB LYS A 191 2.402 9.976 21.872 1.00 16.38 C ATOM 1416 CG LYS A 191 3.420 10.589 20.929 1.00 18.52 C ATOM 1417 CD LYS A 191 2.707 11.139 19.697 1.00 20.57 C ATOM 1418 CE LYS A 191 3.681 11.250 18.534 1.00 32.63 C ATOM 1419 NZ LYS A 191 3.073 11.888 17.344 1.00 35.23 N ATOM 1420 N GLU A 192 1.581 9.834 24.881 1.00 15.59 N ATOM 1421 CA GLU A 192 0.531 9.655 25.883 1.00 17.21 C ATOM 1422 C GLU A 192 -0.847 9.370 25.302 1.00 18.27 C ATOM 1423 O GLU A 192 -1.639 8.653 25.924 1.00 20.29 O ATOM 1424 CB GLU A 192 0.445 10.886 26.772 1.00 20.83 C ATOM 1425 CG GLU A 192 -0.577 10.718 27.903 1.00 35.16 C ATOM 1426 CD GLU A 192 -0.219 11.514 29.145 1.00 66.81 C ATOM 1427 OE1 GLU A 192 -0.733 11.166 30.235 1.00 68.80 O ATOM 1428 OE2 GLU A 192 0.583 12.473 29.032 1.00 62.00 O ATOM 1429 N ASP A 193 -1.149 9.965 24.154 1.00 15.57 N ATOM 1430 CA ASP A 193 -2.459 9.720 23.514 1.00 16.98 C ATOM 1431 C ASP A 193 -2.450 8.510 22.563 1.00 20.46 C ATOM 1432 O ASP A 193 -3.363 8.320 21.785 1.00 20.65 O ATOM 1433 CB ASP A 193 -3.005 10.970 22.802 1.00 18.85 C ATOM 1434 CG ASP A 193 -2.104 11.475 21.683 1.00 28.51 C ATOM 1435 OD1 ASP A 193 -1.028 10.901 21.466 1.00 30.96 O ATOM 1436 OD2 ASP A 193 -2.481 12.465 21.013 1.00 36.37 O ATOM 1437 N GLN A 194 -1.415 7.681 22.658 1.00 16.16 N ATOM 1438 CA GLN A 194 -1.305 6.494 21.796 1.00 14.09 C ATOM 1439 C GLN A 194 -1.038 5.190 22.571 1.00 17.70 C ATOM 1440 O GLN A 194 -0.648 4.179 21.981 1.00 16.07 O ATOM 1441 CB GLN A 194 -0.262 6.713 20.674 1.00 15.97 C ATOM 1442 CG GLN A 194 -0.412 8.023 19.871 1.00 15.59 C ATOM 1443 CD GLN A 194 -1.704 8.122 19.031 1.00 31.44 C ATOM 1444 OE1 GLN A 194 -2.202 9.224 18.774 1.00 26.16 O ATOM 1445 NE2 GLN A 194 -2.203 6.992 18.557 1.00 23.70 N ATOM 1446 N THR A 195 -1.305 5.197 23.871 1.00 14.84 N ATOM 1447 CA THR A 195 -1.141 4.009 24.718 1.00 14.83 C ATOM 1448 C THR A 195 -2.087 2.855 24.385 1.00 18.83 C ATOM 1449 O THR A 195 -1.944 1.744 24.931 1.00 19.72 O ATOM 1450 CB THR A 195 -1.207 4.378 26.220 1.00 26.21 C ATOM 1451 OG1 THR A 195 -2.358 5.197 26.458 1.00 27.55 O ATOM 1452 CG2 THR A 195 0.034 5.110 26.653 1.00 23.73 C ATOM 1453 N GLU A 196 -3.086 3.106 23.535 1.00 15.81 N ATOM 1454 CA GLU A 196 -3.996 2.035 23.127 1.00 16.60 C ATOM 1455 C GLU A 196 -3.201 0.889 22.489 1.00 16.75 C ATOM 1456 O GLU A 196 -3.592 -0.282 22.546 1.00 16.44 O ATOM 1457 CB GLU A 196 -4.996 2.553 22.106 1.00 18.38 C ATOM 1458 CG GLU A 196 -4.321 3.056 20.803 1.00 25.17 C ATOM 1459 CD GLU A 196 -5.318 3.585 19.799 1.00 48.78 C ATOM 1460 OE1 GLU A 196 -5.315 4.818 19.566 1.00 44.29 O ATOM 1461 OE2 GLU A 196 -6.122 2.767 19.276 1.00 35.31 O ATOM 1462 N TYR A 197 -2.051 1.226 21.898 1.00 14.35 N ATOM 1463 CA TYR A 197 -1.228 0.204 21.256 1.00 12.84 C ATOM 1464 C TYR A 197 -0.437 -0.694 22.208 1.00 17.06 C ATOM 1465 O TYR A 197 0.333 -1.541 21.754 1.00 18.37 O ATOM 1466 CB TYR A 197 -0.339 0.813 20.156 1.00 14.16 C ATOM 1467 CG TYR A 197 -1.166 1.488 19.097 1.00 14.46 C ATOM 1468 CD1 TYR A 197 -2.084 0.756 18.326 1.00 15.69 C ATOM 1469 CD2 TYR A 197 -1.151 2.882 18.952 1.00 15.34 C ATOM 1470 CE1 TYR A 197 -2.901 1.381 17.398 1.00 17.17 C ATOM 1471 CE2 TYR A 197 -1.987 3.521 18.013 1.00 16.05 C ATOM 1472 CZ TYR A 197 -2.866 2.766 17.261 1.00 23.66 C ATOM 1473 OH TYR A 197 -3.708 3.389 16.373 1.00 22.92 O ATOM 1474 N LEU A 198 -0.624 -0.505 23.512 1.00 14.68 N ATOM 1475 CA LEU A 198 -0.036 -1.367 24.514 1.00 16.02 C ATOM 1476 C LEU A 198 -1.002 -2.487 24.888 1.00 17.98 C ATOM 1477 O LEU A 198 -0.633 -3.377 25.648 1.00 17.44 O ATOM 1478 CB LEU A 198 0.294 -0.583 25.798 1.00 16.86 C ATOM 1479 CG LEU A 198 1.388 0.490 25.712 1.00 19.02 C ATOM 1480 CD1 LEU A 198 1.426 1.407 26.958 1.00 18.97 C ATOM 1481 CD2 LEU A 198 2.728 -0.151 25.411 1.00 20.65 C ATOM 1482 N GLU A 199 -2.257 -2.409 24.425 1.00 14.64 N ATOM 1483 CA GLU A 199 -3.275 -3.385 24.818 1.00 15.47 C ATOM 1484 C GLU A 199 -3.294 -4.611 23.904 1.00 19.64 C ATOM 1485 O GLU A 199 -3.346 -4.475 22.690 1.00 19.40 O ATOM 1486 CB GLU A 199 -4.645 -2.712 24.789 1.00 17.31 C ATOM 1487 CG GLU A 199 -4.801 -1.602 25.841 1.00 23.38 C ATOM 1488 CD GLU A 199 -4.478 -2.082 27.250 1.00 46.43 C ATOM 1489 OE1 GLU A 199 -4.957 -3.168 27.648 1.00 50.76 O ATOM 1490 OE2 GLU A 199 -3.749 -1.367 27.968 1.00 43.48 O ATOM 1491 N GLU A 200 -3.288 -5.811 24.495 1.00 16.66 N ATOM 1492 CA GLU A 200 -3.314 -7.043 23.703 1.00 15.49 C ATOM 1493 C GLU A 200 -4.514 -7.030 22.760 1.00 19.07 C ATOM 1494 O GLU A 200 -4.431 -7.448 21.610 1.00 17.34 O ATOM 1495 CB GLU A 200 -3.489 -8.263 24.627 1.00 16.98 C ATOM 1496 CG GLU A 200 -3.790 -9.542 23.840 1.00 23.88 C ATOM 1497 CD GLU A 200 -3.839 -10.765 24.728 1.00 40.04 C ATOM 1498 OE1 GLU A 200 -3.524 -10.629 25.930 1.00 26.58 O ATOM 1499 OE2 GLU A 200 -4.207 -11.852 24.231 1.00 43.01 O ATOM 1500 N ARG A 201 -5.668 -6.618 23.271 1.00 16.39 N ATOM 1501 CA ARG A 201 -6.835 -6.591 22.425 1.00 17.81 C ATOM 1502 C ARG A 201 -6.635 -5.775 21.142 1.00 20.39 C ATOM 1503 O ARG A 201 -7.027 -6.191 20.037 1.00 19.77 O ATOM 1504 CB ARG A 201 -8.032 -6.059 23.207 1.00 19.13 C ATOM 1505 CG ARG A 201 -9.056 -5.409 22.320 1.00 39.35 C ATOM 1506 CD ARG A 201 -10.284 -6.264 22.126 1.00 53.74 C ATOM 1507 NE ARG A 201 -11.496 -5.474 22.355 1.00 64.57 N ATOM 1508 CZ ARG A 201 -12.695 -5.767 21.857 1.00 77.10 C ATOM 1509 NH1 ARG A 201 -12.853 -6.822 21.068 1.00 59.26 N ATOM 1510 NH2 ARG A 201 -13.736 -4.987 22.128 1.00 65.67 N ATOM 1511 N ARG A 202 -6.018 -4.612 21.291 1.00 15.33 N ATOM 1512 CA ARG A 202 -5.836 -3.722 20.143 1.00 16.00 C ATOM 1513 C ARG A 202 -4.787 -4.297 19.179 1.00 18.25 C ATOM 1514 O ARG A 202 -5.019 -4.394 17.977 1.00 19.46 O ATOM 1515 CB ARG A 202 -5.466 -2.340 20.667 1.00 19.33 C ATOM 1516 CG ARG A 202 -5.335 -1.280 19.617 1.00 22.52 C ATOM 1517 CD ARG A 202 -6.662 -0.853 19.057 1.00 27.77 C ATOM 1518 NE ARG A 202 -6.477 0.321 18.217 1.00 33.41 N ATOM 1519 CZ ARG A 202 -6.875 0.408 16.959 1.00 44.09 C ATOM 1520 NH1 ARG A 202 -7.539 -0.604 16.423 1.00 39.48 N ATOM 1521 NH2 ARG A 202 -6.635 1.521 16.256 1.00 28.53 N ATOM 1522 N ILE A 203 -3.630 -4.661 19.704 1.00 13.43 N ATOM 1523 CA ILE A 203 -2.593 -5.286 18.884 1.00 13.49 C ATOM 1524 C ILE A 203 -3.166 -6.460 18.071 1.00 17.33 C ATOM 1525 O ILE A 203 -2.966 -6.531 16.865 1.00 17.35 O ATOM 1526 CB ILE A 203 -1.424 -5.764 19.757 1.00 15.68 C ATOM 1527 CG1 ILE A 203 -0.739 -4.554 20.433 1.00 15.64 C ATOM 1528 CG2 ILE A 203 -0.457 -6.606 18.912 1.00 17.07 C ATOM 1529 CD1 ILE A 203 0.169 -4.892 21.562 1.00 19.23 C ATOM 1530 N LYS A 204 -3.857 -7.400 18.718 1.00 15.83 N ATOM 1531 CA LYS A 204 -4.442 -8.525 17.966 1.00 16.68 C ATOM 1532 C LYS A 204 -5.347 -8.071 16.837 1.00 17.52 C ATOM 1533 O LYS A 204 -5.327 -8.620 15.744 1.00 15.82 O ATOM 1534 CB LYS A 204 -5.198 -9.484 18.893 1.00 18.43 C ATOM 1535 CG LYS A 204 -4.274 -10.130 19.886 1.00 25.88 C ATOM 1536 CD LYS A 204 -4.839 -11.424 20.422 1.00 40.02 C ATOM 1537 CE LYS A 204 -5.944 -11.174 21.377 1.00 52.23 C ATOM 1538 NZ LYS A 204 -6.282 -12.439 22.093 1.00 64.68 N ATOM 1539 N GLU A 205 -6.198 -7.098 17.143 1.00 16.79 N ATOM 1540 CA GLU A 205 -7.124 -6.527 16.170 1.00 18.01 C ATOM 1541 C GLU A 205 -6.354 -5.978 14.960 1.00 21.22 C ATOM 1542 O GLU A 205 -6.698 -6.270 13.826 1.00 18.16 O ATOM 1543 CB GLU A 205 -7.908 -5.370 16.801 1.00 20.68 C ATOM 1544 CG GLU A 205 -9.006 -5.793 17.761 1.00 36.70 C ATOM 1545 CD GLU A 205 -9.728 -4.607 18.396 1.00 61.63 C ATOM 1546 OE1 GLU A 205 -9.227 -3.458 18.294 1.00 36.09 O ATOM 1547 OE2 GLU A 205 -10.800 -4.831 19.007 1.00 60.25 O ATOM 1548 N ILE A 206 -5.310 -5.182 15.205 1.00 16.34 N ATOM 1549 CA ILE A 206 -4.594 -4.580 14.075 1.00 14.81 C ATOM 1550 C ILE A 206 -3.758 -5.577 13.274 1.00 16.65 C ATOM 1551 O ILE A 206 -3.601 -5.437 12.076 1.00 18.87 O ATOM 1552 CB ILE A 206 -3.845 -3.285 14.439 1.00 19.26 C ATOM 1553 CG1 ILE A 206 -2.687 -3.544 15.358 1.00 21.29 C ATOM 1554 CG2 ILE A 206 -4.797 -2.296 15.082 1.00 20.09 C ATOM 1555 CD1 ILE A 206 -1.925 -2.249 15.707 1.00 28.31 C ATOM 1556 N VAL A 207 -3.257 -6.607 13.930 1.00 14.03 N ATOM 1557 CA VAL A 207 -2.471 -7.600 13.202 1.00 15.79 C ATOM 1558 C VAL A 207 -3.390 -8.388 12.295 1.00 21.02 C ATOM 1559 O VAL A 207 -3.098 -8.591 11.105 1.00 21.15 O ATOM 1560 CB VAL A 207 -1.705 -8.490 14.174 1.00 19.79 C ATOM 1561 CG1 VAL A 207 -1.142 -9.726 13.437 1.00 19.63 C ATOM 1562 CG2 VAL A 207 -0.610 -7.660 14.824 1.00 18.88 C ATOM 1563 N LYS A 208 -4.525 -8.803 12.844 1.00 19.22 N ATOM 1564 CA LYS A 208 -5.520 -9.529 12.043 1.00 17.73 C ATOM 1565 C LYS A 208 -5.992 -8.692 10.854 1.00 20.72 C ATOM 1566 O LYS A 208 -6.195 -9.210 9.743 1.00 22.33 O ATOM 1567 CB LYS A 208 -6.741 -9.854 12.915 1.00 19.78 C ATOM 1568 CG LYS A 208 -6.443 -10.822 14.047 1.00 43.56 C ATOM 1569 CD LYS A 208 -5.556 -11.965 13.563 1.00 57.06 C ATOM 1570 CE LYS A 208 -5.763 -13.241 14.382 1.00 70.96 C ATOM 1571 NZ LYS A 208 -6.955 -14.029 13.938 1.00 77.10 N ATOM 1572 N LYS A 209 -6.233 -7.403 11.095 1.00 18.68 N ATOM 1573 CA LYS A 209 -6.755 -6.533 10.057 1.00 17.93 C ATOM 1574 C LYS A 209 -5.770 -6.209 8.935 1.00 22.24 C ATOM 1575 O LYS A 209 -6.125 -6.216 7.759 1.00 22.65 O ATOM 1576 CB LYS A 209 -7.324 -5.225 10.651 1.00 18.82 C ATOM 1577 CG LYS A 209 -8.033 -4.388 9.605 1.00 28.67 C ATOM 1578 CD LYS A 209 -8.077 -2.901 9.938 1.00 36.57 C ATOM 1579 CE LYS A 209 -9.103 -2.560 10.973 1.00 44.44 C ATOM 1580 NZ LYS A 209 -9.579 -1.141 10.776 1.00 37.71 N ATOM 1581 N HIS A 210 -4.530 -5.917 9.303 1.00 17.96 N ATOM 1582 CA HIS A 210 -3.566 -5.390 8.325 1.00 17.77 C ATOM 1583 C HIS A 210 -2.407 -6.277 7.937 1.00 21.70 C ATOM 1584 O HIS A 210 -1.726 -6.001 6.942 1.00 21.48 O ATOM 1585 CB HIS A 210 -3.006 -4.069 8.868 1.00 18.14 C ATOM 1586 CG HIS A 210 -4.006 -2.961 8.894 1.00 21.47 C ATOM 1587 ND1 HIS A 210 -4.593 -2.503 10.059 1.00 23.34 N ATOM 1588 CD2 HIS A 210 -4.549 -2.238 7.888 1.00 21.71 C ATOM 1589 CE1 HIS A 210 -5.449 -1.540 9.761 1.00 22.35 C ATOM 1590 NE2 HIS A 210 -5.422 -1.344 8.453 1.00 23.24 N ATOM 1591 N SER A 211 -2.098 -7.241 8.794 1.00 17.87 N ATOM 1592 CA SER A 211 -0.921 -8.067 8.587 1.00 19.27 C ATOM 1593 C SER A 211 -1.146 -9.592 8.616 1.00 26.64 C ATOM 1594 O SER A 211 -0.448 -10.332 9.309 1.00 26.39 O ATOM 1595 CB SER A 211 0.158 -7.629 9.576 1.00 22.90 C ATOM 1596 OG SER A 211 0.217 -8.511 10.671 1.00 44.82 O ATOM 1597 N GLN A 212 -2.108 -10.057 7.818 1.00 27.54 N ATOM 1598 CA GLN A 212 -2.413 -11.478 7.721 1.00 27.35 C ATOM 1599 C GLN A 212 -1.381 -12.225 6.894 1.00 30.21 C ATOM 1600 O GLN A 212 -0.643 -11.646 6.080 1.00 30.72 O ATOM 1601 CB GLN A 212 -3.808 -11.699 7.108 1.00 29.50 C ATOM 1602 CG GLN A 212 -4.905 -10.827 7.671 1.00 34.59 C ATOM 1603 CD GLN A 212 -6.242 -11.081 6.981 1.00 52.52 C ATOM 1604 OE1 GLN A 212 -6.342 -11.945 6.114 1.00 49.14 O ATOM 1605 NE2 GLN A 212 -7.262 -10.311 7.344 1.00 38.25 N ATOM 1606 N PHE A 213 -1.348 -13.535 7.078 1.00 27.06 N ATOM 1607 CA PHE A 213 -0.449 -14.404 6.329 1.00 26.81 C ATOM 1608 C PHE A 213 0.985 -13.884 6.173 1.00 30.62 C ATOM 1609 O PHE A 213 1.551 -13.897 5.072 1.00 28.56 O ATOM 1610 CB PHE A 213 -1.058 -14.796 4.993 1.00 28.26 C ATOM 1611 CG PHE A 213 -2.468 -15.307 5.112 1.00 30.29 C ATOM 1612 CD1 PHE A 213 -2.714 -16.614 5.520 1.00 33.98 C ATOM 1613 CD2 PHE A 213 -3.546 -14.459 4.909 1.00 31.99 C ATOM 1614 CE1 PHE A 213 -4.017 -17.066 5.705 1.00 35.59 C ATOM 1615 CE2 PHE A 213 -4.863 -14.906 5.077 1.00 35.48 C ATOM 1616 CZ PHE A 213 -5.092 -16.209 5.474 1.00 34.10 C ATOM 1617 N ILE A 214 1.570 -13.422 7.275 1.00 27.57 N ATOM 1618 CA ILE A 214 2.966 -12.995 7.235 1.00 27.29 C ATOM 1619 C ILE A 214 3.575 -14.376 7.230 1.00 32.88 C ATOM 1620 O ILE A 214 3.011 -15.308 7.819 1.00 35.68 O ATOM 1621 CB ILE A 214 3.321 -12.171 8.509 1.00 30.17 C ATOM 1622 CG1 ILE A 214 2.611 -10.837 8.458 1.00 31.74 C ATOM 1623 CG2 ILE A 214 4.804 -11.968 8.675 1.00 26.72 C ATOM 1624 CD1 ILE A 214 2.850 -10.105 7.187 1.00 39.88 C ATOM 1625 N GLY A 215 4.611 -14.579 6.441 1.00 27.39 N ATOM 1626 CA GLY A 215 5.151 -15.923 6.331 1.00 26.42 C ATOM 1627 C GLY A 215 6.084 -16.345 7.447 1.00 24.35 C ATOM 1628 O GLY A 215 6.949 -17.189 7.231 1.00 24.42 O ATOM 1629 N TYR A 216 5.939 -15.736 8.626 1.00 19.43 N ATOM 1630 CA TYR A 216 6.793 -16.055 9.768 1.00 17.53 C ATOM 1631 C TYR A 216 5.922 -15.997 11.021 1.00 18.43 C ATOM 1632 O TYR A 216 4.968 -15.226 11.077 1.00 16.62 O ATOM 1633 CB TYR A 216 7.934 -15.043 9.885 1.00 16.10 C ATOM 1634 CG TYR A 216 8.764 -15.022 8.637 1.00 14.00 C ATOM 1635 CD1 TYR A 216 9.731 -15.988 8.413 1.00 16.07 C ATOM 1636 CD2 TYR A 216 8.508 -14.084 7.635 1.00 13.07 C ATOM 1637 CE1 TYR A 216 10.430 -16.049 7.191 1.00 14.20 C ATOM 1638 CE2 TYR A 216 9.212 -14.113 6.421 1.00 13.10 C ATOM 1639 CZ TYR A 216 10.165 -15.087 6.210 1.00 16.19 C ATOM 1640 OH TYR A 216 10.841 -15.148 5.003 1.00 17.76 O ATOM 1641 N PRO A 217 6.235 -16.827 12.026 1.00 16.12 N ATOM 1642 CA PRO A 217 5.363 -16.742 13.218 1.00 15.39 C ATOM 1643 C PRO A 217 5.522 -15.415 13.945 1.00 17.55 C ATOM 1644 O PRO A 217 6.639 -14.929 14.115 1.00 17.42 O ATOM 1645 CB PRO A 217 5.913 -17.827 14.166 1.00 18.03 C ATOM 1646 CG PRO A 217 6.965 -18.615 13.382 1.00 22.19 C ATOM 1647 CD PRO A 217 7.347 -17.794 12.166 1.00 16.91 C ATOM 1648 N ILE A 218 4.406 -14.879 14.418 1.00 15.86 N ATOM 1649 CA ILE A 218 4.401 -13.639 15.203 1.00 16.22 C ATOM 1650 C ILE A 218 3.909 -14.038 16.593 1.00 20.34 C ATOM 1651 O ILE A 218 2.816 -14.617 16.727 1.00 21.02 O ATOM 1652 CB ILE A 218 3.449 -12.585 14.612 1.00 19.53 C ATOM 1653 CG1 ILE A 218 3.894 -12.162 13.197 1.00 20.65 C ATOM 1654 CG2 ILE A 218 3.436 -11.327 15.481 1.00 20.33 C ATOM 1655 CD1 ILE A 218 2.893 -11.200 12.572 1.00 28.86 C ATOM 1656 N THR A 219 4.696 -13.719 17.617 1.00 16.10 N ATOM 1657 CA THR A 219 4.299 -14.038 18.993 1.00 14.00 C ATOM 1658 C THR A 219 4.070 -12.733 19.722 1.00 17.88 C ATOM 1659 O THR A 219 4.949 -11.857 19.717 1.00 18.11 O ATOM 1660 CB THR A 219 5.414 -14.769 19.723 1.00 17.59 C ATOM 1661 OG1 THR A 219 5.750 -15.978 19.020 1.00 17.38 O ATOM 1662 CG2 THR A 219 4.951 -15.129 21.179 1.00 20.54 C ATOM 1663 N LEU A 220 2.971 -12.660 20.457 1.00 12.49 N ATOM 1664 CA LEU A 220 2.714 -11.485 21.287 1.00 13.10 C ATOM 1665 C LEU A 220 3.138 -11.786 22.739 1.00 15.55 C ATOM 1666 O LEU A 220 2.649 -12.759 23.348 1.00 15.35 O ATOM 1667 CB LEU A 220 1.212 -11.139 21.250 1.00 13.62 C ATOM 1668 CG LEU A 220 0.748 -9.938 22.092 1.00 17.93 C ATOM 1669 CD1 LEU A 220 1.467 -8.640 21.699 1.00 16.34 C ATOM 1670 CD2 LEU A 220 -0.758 -9.806 21.767 1.00 21.76 C ATOM 1671 N PHE A 221 4.024 -10.974 23.311 1.00 12.41 N ATOM 1672 CA PHE A 221 4.441 -11.208 24.687 1.00 12.58 C ATOM 1673 C PHE A 221 3.426 -10.488 25.559 1.00 14.97 C ATOM 1674 O PHE A 221 3.144 -9.312 25.357 1.00 16.99 O ATOM 1675 CB PHE A 221 5.806 -10.580 24.970 1.00 15.61 C ATOM 1676 CG PHE A 221 6.963 -11.287 24.354 1.00 15.89 C ATOM 1677 CD1 PHE A 221 6.809 -12.391 23.518 1.00 19.10 C ATOM 1678 CD2 PHE A 221 8.262 -10.881 24.706 1.00 19.66 C ATOM 1679 CE1 PHE A 221 7.934 -13.088 23.057 1.00 21.81 C ATOM 1680 CE2 PHE A 221 9.376 -11.559 24.234 1.00 20.14 C ATOM 1681 CZ PHE A 221 9.221 -12.668 23.426 1.00 19.25 C ATOM 1682 N VAL A 222 2.864 -11.195 26.527 1.00 12.96 N ATOM 1683 CA VAL A 222 1.849 -10.597 27.388 1.00 14.26 C ATOM 1684 C VAL A 222 2.220 -10.822 28.841 1.00 15.74 C ATOM 1685 O VAL A 222 3.015 -11.690 29.146 1.00 14.71 O ATOM 1686 CB VAL A 222 0.430 -11.191 27.095 1.00 20.94 C ATOM 1687 CG1 VAL A 222 0.150 -11.159 25.610 1.00 23.04 C ATOM 1688 CG2 VAL A 222 0.324 -12.630 27.616 1.00 20.87 C ATOM 1689 N GLU A 223 1.687 -9.993 29.733 1.00 16.58 N ATOM 1690 CA GLU A 223 1.995 -10.174 31.144 1.00 16.62 C ATOM 1691 C GLU A 223 0.668 -10.336 31.862 1.00 19.21 C ATOM 1692 O GLU A 223 0.053 -9.341 32.229 1.00 19.55 O ATOM 1693 CB GLU A 223 2.748 -8.982 31.730 1.00 18.30 C ATOM 1694 CG GLU A 223 3.136 -9.258 33.192 1.00 30.77 C ATOM 1695 CD GLU A 223 4.086 -8.227 33.776 1.00 54.48 C ATOM 1696 OE1 GLU A 223 5.307 -8.326 33.531 1.00 55.01 O ATOM 1697 OE2 GLU A 223 3.601 -7.346 34.511 1.00 46.61 O ATOM 1698 N LYS A 224 0.199 -11.570 31.991 1.00 16.00 N ATOM 1699 CA LYS A 224 -1.112 -11.816 32.573 1.00 15.19 C ATOM 1700 C LYS A 224 -1.093 -12.746 33.782 1.00 17.91 C ATOM 1701 O LYS A 224 -2.167 -13.054 34.336 1.00 15.33 O ATOM 1702 CB LYS A 224 -2.030 -12.426 31.513 1.00 17.90 C ATOM 1703 CG LYS A 224 -2.210 -11.548 30.313 1.00 26.12 C ATOM 1704 CD LYS A 224 -2.633 -12.392 29.101 1.00 28.22 C ATOM 1705 CE LYS A 224 -4.096 -12.292 28.840 1.00 32.91 C ATOM 1706 NZ LYS A 224 -4.401 -12.951 27.527 1.00 27.15 N ATOM 1707 N GLU A 225 0.106 -13.185 34.173 1.00 14.54 N ATOM 1708 CA GLU A 225 0.239 -14.179 35.258 1.00 14.71 C ATOM 1709 C GLU A 225 1.256 -13.746 36.295 1.00 18.34 C ATOM 1710 O GLU A 225 1.814 -14.589 37.010 1.00 18.36 O ATOM 1711 CB GLU A 225 0.679 -15.525 34.686 1.00 15.90 C ATOM 1712 CG GLU A 225 -0.350 -16.181 33.792 1.00 28.82 C ATOM 1713 CD GLU A 225 0.195 -17.376 33.039 1.00 42.95 C ATOM 1714 OE1 GLU A 225 1.117 -18.049 33.532 1.00 48.89 O ATOM 1715 OE2 GLU A 225 -0.335 -17.664 31.963 1.00 31.53 O ATOM 1716 N ARG A 226 1.462 -12.438 36.425 1.00 15.92 N ATOM 1717 CA ARG A 226 2.454 -11.981 37.369 1.00 14.23 C ATOM 1718 C ARG A 226 2.025 -12.353 38.791 1.00 21.19 C ATOM 1719 O ARG A 226 0.872 -12.126 39.169 1.00 19.58 O ATOM 1720 CB ARG A 226 2.664 -10.494 37.240 1.00 16.90 C ATOM 1721 CG ARG A 226 3.926 -10.030 37.939 1.00 23.68 C ATOM 1722 CD ARG A 226 4.186 -8.585 37.606 1.00 28.85 C ATOM 1723 NE ARG A 226 5.383 -8.057 38.262 1.00 29.08 N ATOM 1724 CZ ARG A 226 6.492 -7.726 37.616 1.00 32.45 C ATOM 1725 NH1 ARG A 226 6.574 -7.890 36.293 1.00 20.35 N ATOM 1726 NH2 ARG A 226 7.500 -7.205 38.291 1.00 22.05 N ATOM 1727 N ASP A 227 2.944 -12.948 39.563 1.00 15.80 N ATOM 1728 CA ASP A 227 2.613 -13.350 40.922 1.00 14.75 C ATOM 1729 C ASP A 227 2.375 -12.089 41.727 1.00 19.50 C ATOM 1730 O ASP A 227 3.143 -11.129 41.634 1.00 20.98 O ATOM 1731 CB ASP A 227 3.749 -14.154 41.556 1.00 16.28 C ATOM 1732 CG ASP A 227 4.094 -15.425 40.769 1.00 27.19 C ATOM 1733 OD1 ASP A 227 3.205 -15.963 40.065 1.00 27.83 O ATOM 1734 OD2 ASP A 227 5.243 -15.917 40.914 1.00 27.14 O ATOM 1735 N LYS A 228 1.383 -12.123 42.599 1.00 18.23 N ATOM 1736 CA LYS A 228 1.079 -10.950 43.412 1.00 19.84 C ATOM 1737 C LYS A 228 2.212 -10.487 44.308 1.00 23.17 C ATOM 1738 O LYS A 228 2.344 -9.280 44.594 1.00 21.25 O ATOM 1739 CB LYS A 228 -0.173 -11.187 44.258 1.00 23.29 C ATOM 1740 CG LYS A 228 -0.079 -12.302 45.274 1.00 32.07 C ATOM 1741 CD LYS A 228 -1.343 -12.264 46.170 1.00 37.01 C ATOM 1742 CE LYS A 228 -1.172 -13.091 47.428 1.00 36.98 C ATOM 1743 NZ LYS A 228 -1.288 -14.544 47.141 1.00 50.36 N ATOM 1744 N GLU A 229 3.037 -11.434 44.747 1.00 19.12 N ATOM 1745 CA GLU A 229 4.135 -11.120 45.669 1.00 19.04 C ATOM 1746 C GLU A 229 5.285 -10.337 45.055 1.00 22.40 C ATOM 1747 O GLU A 229 6.165 -9.840 45.770 1.00 23.54 O ATOM 1748 CB GLU A 229 4.619 -12.346 46.457 1.00 19.67 C ATOM 1749 CG GLU A 229 3.523 -13.115 47.217 1.00 22.45 C ATOM 1750 CD GLU A 229 2.718 -14.114 46.362 1.00 32.52 C ATOM 1751 OE1 GLU A 229 2.799 -14.094 45.111 1.00 20.09 O ATOM 1752 OE2 GLU A 229 2.019 -14.964 46.946 1.00 31.13 O ATOM 1753 N VAL A 230 5.215 -10.152 43.738 1.00 17.24 N ATOM 1754 CA VAL A 230 6.154 -9.329 42.999 1.00 17.82 C ATOM 1755 C VAL A 230 5.375 -8.449 42.009 1.00 25.39 C ATOM 1756 O VAL A 230 5.863 -8.163 40.904 1.00 26.75 O ATOM 1757 CB VAL A 230 7.229 -10.202 42.264 1.00 20.46 C ATOM 1758 CG1 VAL A 230 8.208 -10.775 43.289 1.00 21.19 C ATOM 1759 CG2 VAL A 230 6.575 -11.311 41.418 1.00 20.12 C ATOM 1760 N SER A 231 4.150 -8.056 42.366 1.00 19.74 N ATOM 1761 CA SER A 231 3.380 -7.199 41.450 1.00 39.21 C ATOM 1762 C SER A 231 4.153 -5.916 41.180 1.00 67.31 C ATOM 1763 O SER A 231 4.543 -5.222 42.114 1.00 37.55 O ATOM 1764 CB SER A 231 2.003 -6.852 42.009 1.00 42.91 C ATOM 1765 OG SER A 231 1.253 -8.024 42.234 1.00 54.84 O TER 1766 SER A 231 HETATM 1767 C1 XJX A1232 13.790 0.293 10.800 1.00 15.54 C HETATM 1768 C2 XJX A1232 13.097 -0.409 9.627 1.00 12.98 C HETATM 1769 C3 XJX A1232 13.565 0.183 8.302 1.00 14.93 C HETATM 1770 C4 XJX A1232 13.280 -1.925 9.716 1.00 9.53 C HETATM 1771 C5 XJX A1232 14.378 -2.556 9.133 1.00 15.89 C HETATM 1772 C6 XJX A1232 14.593 -3.928 9.284 1.00 12.21 C HETATM 1773 C7 XJX A1232 15.763 -4.569 8.623 1.00 9.97 C HETATM 1774 O8 XJX A1232 16.684 -4.985 9.297 1.00 12.42 O HETATM 1775 N9 XJX A1232 15.793 -4.597 7.283 1.00 13.46 N HETATM 1776 C10 XJX A1232 16.882 -5.218 6.515 1.00 13.49 C HETATM 1777 C11 XJX A1232 16.266 -5.375 5.153 1.00 13.44 C HETATM 1778 C12 XJX A1232 16.789 -5.984 4.019 1.00 17.34 C HETATM 1779 C13 XJX A1232 16.053 -6.015 2.848 1.00 16.78 C HETATM 1780 C14 XJX A1232 14.788 -5.437 2.793 1.00 25.83 C HETATM 1781 C15 XJX A1232 13.987 -5.448 1.514 1.00 39.58 C HETATM 1782 N16 XJX A1232 14.297 -4.266 0.628 1.00 54.90 N HETATM 1783 C18 XJX A1232 14.308 -2.986 1.412 1.00 62.09 C HETATM 1784 C19 XJX A1232 14.638 -1.795 0.524 1.00 64.75 C HETATM 1785 N20 XJX A1232 15.958 -2.012 -0.141 1.00 66.96 N HETATM 1786 C22 XJX A1232 16.369 -0.825 -0.948 1.00 67.04 C HETATM 1787 C23 XJX A1232 15.912 -3.253 -0.973 1.00 63.79 C HETATM 1788 C24 XJX A1232 15.599 -4.453 -0.093 1.00 59.84 C HETATM 1789 C25 XJX A1232 14.282 -4.834 3.941 1.00 22.06 C HETATM 1790 C26 XJX A1232 15.019 -4.810 5.112 1.00 12.57 C HETATM 1791 C27 XJX A1232 14.667 -4.183 6.433 1.00 12.00 C HETATM 1792 C28 XJX A1232 13.715 -4.685 10.039 1.00 11.17 C HETATM 1793 O29 XJX A1232 13.937 -6.030 10.185 1.00 12.20 O HETATM 1794 C30 XJX A1232 12.626 -4.073 10.659 1.00 12.43 C HETATM 1795 C31 XJX A1232 12.417 -2.711 10.512 1.00 10.77 C HETATM 1796 O32 XJX A1232 11.320 -2.163 11.117 1.00 13.22 O HETATM 1797 O HOH A2001 37.735 7.874 34.248 1.00 50.95 O HETATM 1798 O HOH A2002 23.812 11.740 21.660 1.00 31.84 O HETATM 1799 O HOH A2003 24.908 16.034 9.888 1.00 44.12 O HETATM 1800 O HOH A2004 21.616 14.288 5.980 1.00 26.25 O HETATM 1801 O HOH A2005 24.044 14.576 8.478 1.00 31.18 O HETATM 1802 O HOH A2006 17.053 17.570 9.466 1.00 18.04 O HETATM 1803 O HOH A2007 13.498 13.761 -1.524 1.00 34.36 O HETATM 1804 O HOH A2008 -6.014 2.712 7.110 1.00 32.25 O HETATM 1805 O HOH A2009 11.676 17.084 11.496 1.00 22.55 O HETATM 1806 O HOH A2010 5.436 20.924 5.062 1.00 31.93 O HETATM 1807 O HOH A2011 6.691 20.068 7.516 1.00 21.79 O HETATM 1808 O HOH A2012 4.066 -11.006 3.353 1.00 36.45 O HETATM 1809 O HOH A2013 5.619 -10.325 1.562 1.00 46.07 O HETATM 1810 O HOH A2014 5.237 20.630 9.861 1.00 27.64 O HETATM 1811 O HOH A2015 0.087 12.710 13.696 1.00 37.25 O HETATM 1812 O HOH A2016 25.852 -26.098 -0.884 1.00 37.40 O HETATM 1813 O HOH A2017 -3.985 18.966 12.399 1.00 34.12 O HETATM 1814 O HOH A2018 -5.487 9.700 15.009 1.00 27.37 O HETATM 1815 O HOH A2019 -1.124 17.085 5.922 1.00 39.74 O HETATM 1816 O HOH A2020 -4.840 9.388 7.664 1.00 29.09 O HETATM 1817 O HOH A2021 -6.208 12.004 8.164 1.00 27.42 O HETATM 1818 O HOH A2022 -10.162 10.618 13.075 1.00 24.86 O HETATM 1819 O HOH A2023 12.754 -13.574 23.230 1.00 44.36 O HETATM 1820 O HOH A2024 13.713 -17.354 20.891 1.00 47.12 O HETATM 1821 O HOH A2025 8.604 -18.484 17.286 1.00 35.37 O HETATM 1822 O HOH A2026 -7.912 3.001 11.650 1.00 34.98 O HETATM 1823 O HOH A2027 -1.409 -3.592 34.078 1.00 48.33 O HETATM 1824 O HOH A2028 1.572 -6.152 28.943 1.00 35.16 O HETATM 1825 O HOH A2029 -1.226 -2.106 11.181 1.00 21.22 O HETATM 1826 O HOH A2030 -7.022 1.523 9.287 1.00 37.88 O HETATM 1827 O HOH A2031 -6.046 3.779 13.641 1.00 22.17 O HETATM 1828 O HOH A2032 2.328 -6.100 7.697 1.00 16.38 O HETATM 1829 O HOH A2033 28.514 -1.842 4.416 1.00 28.85 O HETATM 1830 O HOH A2034 26.628 -4.753 2.782 1.00 32.07 O HETATM 1831 O HOH A2035 20.294 -6.745 3.194 1.00 28.25 O HETATM 1832 O HOH A2036 7.487 -0.204 5.715 1.00 34.25 O HETATM 1833 O HOH A2037 3.060 -2.242 4.758 1.00 36.50 O HETATM 1834 O HOH A2038 5.397 -0.629 3.352 1.00 31.83 O HETATM 1835 O HOH A2039 9.365 -0.109 10.022 1.00 27.24 O HETATM 1836 O HOH A2040 10.553 1.573 5.900 1.00 42.04 O HETATM 1837 O HOH A2041 5.851 -12.798 4.559 1.00 29.34 O HETATM 1838 O HOH A2042 13.422 -9.342 1.040 1.00 21.09 O HETATM 1839 O HOH A2043 10.919 -3.265 3.425 1.00 33.94 O HETATM 1840 O HOH A2044 6.392 -7.102 2.941 1.00 39.38 O HETATM 1841 O HOH A2045 7.347 -14.043 3.070 1.00 31.14 O HETATM 1842 O HOH A2046 11.094 -10.186 0.140 1.00 27.77 O HETATM 1843 O HOH A2047 8.114 -9.969 2.988 1.00 23.19 O HETATM 1844 O HOH A2048 19.145 -10.306 -2.270 1.00 43.97 O HETATM 1845 O HOH A2049 11.707 -20.560 8.428 1.00 24.70 O HETATM 1846 O HOH A2050 13.589 -20.618 6.356 1.00 17.76 O HETATM 1847 O HOH A2051 8.570 -19.247 8.074 1.00 29.58 O HETATM 1848 O HOH A2052 8.719 -17.951 0.513 1.00 43.19 O HETATM 1849 O HOH A2053 16.223 -20.080 6.760 1.00 16.80 O HETATM 1850 O HOH A2054 19.466 -23.713 3.247 1.00 17.66 O HETATM 1851 O HOH A2055 19.111 -24.918 -0.326 1.00 20.03 O HETATM 1852 O HOH A2056 22.626 -24.817 -1.328 1.00 28.14 O HETATM 1853 O HOH A2057 25.498 -23.679 -1.501 1.00 37.13 O HETATM 1854 O HOH A2058 24.100 -22.475 10.409 1.00 31.25 O HETATM 1855 O HOH A2059 24.173 -16.616 0.534 1.00 19.80 O HETATM 1856 O HOH A2060 23.307 -20.861 16.028 1.00 31.37 O HETATM 1857 O HOH A2061 24.201 -23.185 16.484 1.00 34.65 O HETATM 1858 O HOH A2062 15.957 -20.982 9.459 1.00 16.70 O HETATM 1859 O HOH A2063 19.659 -20.191 16.900 1.00 33.42 O HETATM 1860 O HOH A2064 12.127 -21.833 12.507 1.00 47.00 O HETATM 1861 O HOH A2065 10.264 -20.045 12.623 1.00 31.35 O HETATM 1862 O HOH A2066 17.251 -16.462 15.352 1.00 26.30 O HETATM 1863 O HOH A2067 9.739 -19.420 10.515 1.00 26.63 O HETATM 1864 O HOH A2068 13.147 -20.753 10.864 1.00 15.73 O HETATM 1865 O HOH A2069 11.733 -15.545 21.311 1.00 34.92 O HETATM 1866 O HOH A2070 9.230 -16.339 20.119 1.00 36.73 O HETATM 1867 O HOH A2071 12.756 -11.023 21.842 1.00 21.99 O HETATM 1868 O HOH A2072 -10.162 -8.422 11.036 1.00 38.91 O HETATM 1869 O HOH A2073 7.202 -6.012 28.250 1.00 39.87 O HETATM 1870 O HOH A2074 9.964 -4.284 27.032 1.00 34.32 O HETATM 1871 O HOH A2075 3.395 -4.650 30.475 1.00 28.46 O HETATM 1872 O HOH A2076 -1.803 -4.627 31.542 1.00 51.12 O HETATM 1873 O HOH A2077 4.425 -4.331 37.578 1.00 41.76 O HETATM 1874 O HOH A2078 12.815 0.644 30.575 1.00 41.70 O HETATM 1875 O HOH A2079 10.331 5.303 29.743 1.00 39.78 O HETATM 1876 O HOH A2080 2.957 -20.106 38.895 1.00 37.91 O HETATM 1877 O HOH A2081 8.557 -2.852 24.732 1.00 15.15 O HETATM 1878 O HOH A2082 12.423 -3.106 24.400 1.00 25.23 O HETATM 1879 O HOH A2083 11.906 -5.126 14.114 1.00 12.22 O HETATM 1880 O HOH A2084 16.414 -7.767 10.341 1.00 11.71 O HETATM 1881 O HOH A2085 23.009 -10.723 8.317 1.00 18.39 O HETATM 1882 O HOH A2086 28.657 -0.253 6.729 1.00 17.99 O HETATM 1883 O HOH A2087 25.601 -2.362 3.293 1.00 27.34 O HETATM 1884 O HOH A2088 23.459 -5.026 3.566 1.00 27.19 O HETATM 1885 O HOH A2089 20.253 -4.833 5.312 1.00 17.38 O HETATM 1886 O HOH A2090 24.491 8.259 2.795 1.00 23.04 O HETATM 1887 O HOH A2091 18.727 -2.628 4.381 1.00 20.30 O HETATM 1888 O HOH A2092 13.388 3.578 5.331 1.00 38.63 O HETATM 1889 O HOH A2093 18.545 2.888 0.595 1.00 32.64 O HETATM 1890 O HOH A2094 16.623 -1.377 5.749 1.00 29.06 O HETATM 1891 O HOH A2095 21.005 15.046 2.753 1.00 36.54 O HETATM 1892 O HOH A2096 25.065 12.957 5.737 1.00 37.28 O HETATM 1893 O HOH A2097 17.468 8.102 4.065 1.00 16.45 O HETATM 1894 O HOH A2098 17.333 6.524 -1.078 1.00 23.68 O HETATM 1895 O HOH A2099 20.758 13.218 -0.258 1.00 26.60 O HETATM 1896 O HOH A2100 18.803 9.256 -2.627 1.00 36.45 O HETATM 1897 O HOH A2101 15.115 6.001 -2.491 1.00 29.85 O HETATM 1898 O HOH A2102 8.851 12.416 -4.592 1.00 32.13 O HETATM 1899 O HOH A2103 10.961 6.990 -1.525 1.00 34.96 O HETATM 1900 O HOH A2104 13.633 12.514 0.743 1.00 20.75 O HETATM 1901 O HOH A2105 11.386 13.154 -2.863 1.00 28.31 O HETATM 1902 O HOH A2106 1.392 20.520 -1.592 1.00 39.29 O HETATM 1903 O HOH A2107 -3.759 13.723 4.853 1.00 32.23 O HETATM 1904 O HOH A2108 -5.448 8.008 0.146 1.00 42.59 O HETATM 1905 O HOH A2109 -8.158 10.852 6.557 1.00 29.81 O HETATM 1906 O HOH A2110 -4.353 4.687 7.494 1.00 29.01 O HETATM 1907 O HOH A2111 -5.553 0.759 5.650 1.00 43.52 O HETATM 1908 O HOH A2112 9.250 1.393 -1.790 1.00 47.01 O HETATM 1909 O HOH A2113 7.920 2.171 2.829 1.00 22.76 O HETATM 1910 O HOH A2114 8.429 1.972 11.486 1.00 28.06 O HETATM 1911 O HOH A2115 10.924 3.677 5.131 1.00 24.07 O HETATM 1912 O HOH A2116 14.959 7.499 5.292 1.00 19.82 O HETATM 1913 O HOH A2117 5.916 2.249 11.813 1.00 24.91 O HETATM 1914 O HOH A2118 6.343 11.716 17.459 1.00 33.40 O HETATM 1915 O HOH A2119 9.386 13.610 19.841 1.00 34.27 O HETATM 1916 O HOH A2120 15.034 3.011 23.798 1.00 33.84 O HETATM 1917 O HOH A2121 28.372 -11.813 14.696 1.00 34.05 O HETATM 1918 O HOH A2122 22.349 -7.726 3.538 1.00 33.46 O HETATM 1919 O HOH A2123 24.393 -12.121 5.949 1.00 11.36 O HETATM 1920 O HOH A2124 28.163 -9.723 4.951 1.00 46.22 O HETATM 1921 O HOH A2125 28.674 -12.413 11.836 1.00 44.92 O HETATM 1922 O HOH A2126 33.280 -1.643 17.101 1.00 29.13 O HETATM 1923 O HOH A2127 25.184 -4.699 11.860 1.00 14.81 O HETATM 1924 O HOH A2128 32.345 -3.800 11.145 1.00 30.10 O HETATM 1925 O HOH A2129 33.605 -2.066 12.742 1.00 34.30 O HETATM 1926 O HOH A2130 28.295 -6.468 18.038 1.00 24.54 O HETATM 1927 O HOH A2131 26.402 -7.294 19.793 1.00 38.54 O HETATM 1928 O HOH A2132 28.505 -3.052 18.531 1.00 24.31 O HETATM 1929 O HOH A2133 31.586 -0.037 12.945 1.00 26.04 O HETATM 1930 O HOH A2134 18.806 11.006 18.980 1.00 36.56 O HETATM 1931 O HOH A2135 20.767 5.395 21.296 1.00 30.17 O HETATM 1932 O HOH A2136 16.072 13.492 17.906 1.00 16.29 O HETATM 1933 O HOH A2137 16.551 10.817 20.734 1.00 22.84 O HETATM 1934 O HOH A2138 16.831 18.527 17.046 1.00 31.48 O HETATM 1935 O HOH A2139 9.992 17.196 13.813 1.00 22.02 O HETATM 1936 O HOH A2140 12.958 14.943 12.305 1.00 16.01 O HETATM 1937 O HOH A2141 21.630 17.364 17.399 1.00 44.61 O HETATM 1938 O HOH A2142 19.215 13.203 17.972 1.00 19.23 O HETATM 1939 O HOH A2143 21.859 6.060 18.978 1.00 18.84 O HETATM 1940 O HOH A2144 28.283 4.897 15.119 1.00 28.93 O HETATM 1941 O HOH A2145 18.663 0.764 23.806 1.00 52.66 O HETATM 1942 O HOH A2146 32.102 2.045 20.186 1.00 24.01 O HETATM 1943 O HOH A2147 20.840 -2.709 22.959 1.00 44.49 O HETATM 1944 O HOH A2148 18.490 -5.429 28.354 1.00 43.28 O HETATM 1945 O HOH A2149 13.935 -8.932 22.888 1.00 42.38 O HETATM 1946 O HOH A2150 18.721 -14.696 17.680 1.00 40.92 O HETATM 1947 O HOH A2151 16.587 -11.546 18.655 1.00 30.30 O HETATM 1948 O HOH A2152 24.868 -11.292 13.066 1.00 18.20 O HETATM 1949 O HOH A2153 26.073 -12.298 16.135 1.00 31.69 O HETATM 1950 O HOH A2154 19.082 -13.985 15.367 1.00 20.43 O HETATM 1951 O HOH A2155 17.109 -10.336 16.732 1.00 19.62 O HETATM 1952 O HOH A2156 -3.879 14.354 22.127 1.00 18.59 O HETATM 1953 O HOH A2157 0.452 12.485 22.968 1.00 41.59 O HETATM 1954 O HOH A2158 -0.788 12.008 18.531 1.00 41.58 O HETATM 1955 O HOH A2159 -3.898 10.601 16.992 1.00 27.35 O HETATM 1956 O HOH A2160 -2.724 1.085 27.375 1.00 33.91 O HETATM 1957 O HOH A2161 -4.377 5.486 23.008 1.00 28.38 O HETATM 1958 O HOH A2162 -4.223 5.965 17.035 1.00 22.73 O HETATM 1959 O HOH A2163 0.012 -5.396 27.170 1.00 34.37 O HETATM 1960 O HOH A2164 -5.627 -4.597 29.913 1.00 51.84 O HETATM 1961 O HOH A2165 -3.235 -8.744 28.028 1.00 31.92 O HETATM 1962 O HOH A2166 -3.035 -5.962 27.465 1.00 27.71 O HETATM 1963 O HOH A2167 -13.200 -8.363 23.231 1.00 29.00 O HETATM 1964 O HOH A2168 -9.074 -7.634 13.514 1.00 30.26 O HETATM 1965 O HOH A2169 -13.473 -3.145 18.678 1.00 29.61 O HETATM 1966 O HOH A2170 -0.728 -4.748 11.583 1.00 20.19 O HETATM 1967 O HOH A2171 -1.705 -7.832 4.907 1.00 30.04 O HETATM 1968 O HOH A2172 -0.438 -12.799 10.893 1.00 38.53 O HETATM 1969 O HOH A2173 -9.611 -9.157 8.638 1.00 34.56 O HETATM 1970 O HOH A2174 0.087 -9.210 5.119 1.00 28.49 O HETATM 1971 O HOH A2175 1.307 -11.215 3.680 1.00 35.43 O HETATM 1972 O HOH A2176 7.474 -17.921 5.131 1.00 29.21 O HETATM 1973 O HOH A2177 2.413 -15.356 11.202 1.00 31.35 O HETATM 1974 O HOH A2178 7.494 -15.568 17.031 1.00 18.18 O HETATM 1975 O HOH A2179 3.853 -7.749 27.367 1.00 29.30 O HETATM 1976 O HOH A2180 3.166 -4.031 33.356 1.00 36.32 O HETATM 1977 O HOH A2181 -0.427 -6.733 31.126 1.00 35.25 O HETATM 1978 O HOH A2182 1.441 -7.363 35.713 1.00 33.57 O HETATM 1979 O HOH A2183 0.548 -5.685 33.697 1.00 41.41 O HETATM 1980 O HOH A2184 4.692 -5.044 35.113 1.00 36.72 O HETATM 1981 O HOH A2185 -0.662 -8.219 28.515 1.00 35.58 O HETATM 1982 O HOH A2186 -4.768 -13.561 33.488 1.00 15.98 O HETATM 1983 O HOH A2187 3.464 -17.830 34.658 1.00 31.97 O HETATM 1984 O HOH A2188 -0.040 -9.582 40.091 1.00 31.24 O HETATM 1985 O HOH A2189 5.459 -13.570 38.653 1.00 22.54 O HETATM 1986 O HOH A2190 4.565 -18.562 41.315 1.00 27.94 O HETATM 1987 O HOH A2191 0.644 -16.071 39.435 1.00 29.11 O HETATM 1988 O HOH A2192 -0.414 -14.253 42.619 1.00 32.86 O HETATM 1989 O HOH A2193 2.664 -7.187 46.472 1.00 39.29 O HETATM 1990 O HOH A2194 1.746 -16.471 43.648 1.00 28.26 O HETATM 1991 O HOH A2195 2.387 -15.739 49.334 1.00 27.40 O HETATM 1992 O HOH A2196 2.092 -17.762 45.874 1.00 38.94 O HETATM 1993 O HOH A2197 5.310 -8.023 47.649 1.00 33.44 O HETATM 1994 O HOH A2198 9.955 -3.764 12.525 1.00 12.92 O CONECT 1767 1768 CONECT 1768 1767 1769 1770 CONECT 1769 1768 CONECT 1770 1768 1771 1795 CONECT 1771 1770 1772 CONECT 1772 1771 1773 1792 CONECT 1773 1772 1774 1775 CONECT 1774 1773 CONECT 1775 1773 1776 1791 CONECT 1776 1775 1777 CONECT 1777 1776 1778 1790 CONECT 1778 1777 1779 CONECT 1779 1778 1780 CONECT 1780 1779 1781 1789 CONECT 1781 1780 1782 CONECT 1782 1781 1783 1788 CONECT 1783 1782 1784 CONECT 1784 1783 1785 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 1788 CONECT 1788 1782 1787 CONECT 1789 1780 1790 CONECT 1790 1777 1789 1791 CONECT 1791 1775 1790 CONECT 1792 1772 1793 1794 CONECT 1793 1792 CONECT 1794 1792 1795 CONECT 1795 1770 1794 1796 CONECT 1796 1795 MASTER 451 0 1 11 8 0 4 6 1993 1 30 20 END -TXJX_A_1232 10151917143D 1 1.00000 0.00000 0 61 64 0 0 0 0 999 V2000 13.7900 0.2930 10.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 -0.4090 9.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5650 0.1830 8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 -1.9250 9.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3780 -2.5560 9.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5930 -3.9280 9.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7630 -4.5690 8.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6840 -4.9850 9.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 -4.5970 7.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8820 -5.2180 6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2660 -5.3750 5.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7890 -5.9840 4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0530 -6.0150 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7880 -5.4370 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9870 -5.4480 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 -4.2660 0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3080 -2.9860 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 -1.7950 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9580 -2.0120 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3690 -0.8250 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9120 -3.2530 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5990 -4.4530 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2820 -4.8340 3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0190 -4.8100 5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6670 -4.1830 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7150 -4.6850 10.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 -6.0300 10.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 -4.0730 10.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 -2.7110 10.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 -2.1630 11.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4735 -0.1054 11.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7798 0.1743 10.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 1.2681 10.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1177 -0.2229 9.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1049 -0.2844 7.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3430 1.1577 8.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5540 0.0639 8.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0251 -2.0152 8.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 -6.1044 6.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6861 -4.6244 6.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6978 -6.4001 4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -6.4561 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0141 -5.4295 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1948 -6.2879 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9953 -3.0531 2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4061 -2.8471 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6793 -0.9660 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 -1.6931 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2540 -1.0043 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6844 -0.6497 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 -0.0260 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7982 -3.3885 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2016 -3.1587 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 -5.2716 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3313 -4.5660 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3751 -4.4131 3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6153 -3.1871 6.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7995 -4.5369 6.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3073 -6.5845 10.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 -4.6181 11.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7201 -2.7345 11.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 5 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 30 61 1 0 0 0 0 M END FlexX Docking Score Protein: 2XJX Binding site defined by: XJX_A_1232 Dc%WP@0Hyde pKi 2XJX XJX_A_1232CiHEADER CHAPERONE 06-JUL-10 2XJX TITLE STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 9-236; COMPND 5 SYNONYM: HSP90, HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA COMPND 6 ANTIGEN NY-REN-38; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS CHAPERONE, ATP BINDING DOMAIN, STRESS RESPONSE EXPDTA X-RAY DIFFRACTION AUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWAN, AUTHOR 2 J.E.COYLE,R.DOWNHAM,E.FIGUEROA,M.FREDERICKSON,B.GRAHAM,R.MCMENAMIN, AUTHOR 3 M.A.OBRIEN,S.PATEL,T.R.PHILLIPS,G.WILLIAMS,A.J.WOODHEAD, AUTHOR 4 A.J.A.WOOLFORD REVDAT 4 18-FEB-15 2XJX 1 AUTHOR HETNAM HETSYN FORMUL REVDAT 3 24-APR-13 2XJX 1 TITLE REMARK VERSN REVDAT 2 13-JUL-11 2XJX 1 JRNL REMARK REVDAT 1 11-AUG-10 2XJX 0 JRNL AUTH A.J.WOODHEAD,H.ANGOVE,M.G.CARR,G.CHESSARI,M.CONGREVE, JRNL AUTH 2 J.E.COYLE,J.COSME,B.GRAHAM,P.J.DAY,R.DOWNHAM,L.FAZAL, JRNL AUTH 3 R.FELTELL,E.FIGUEROA,M.FREDERICKSON,J.LEWIS,R.MCMENAMIN, JRNL AUTH 4 C.W.MURRAY,M.A.O'BRIEN,L.PARRA,S.PATEL,T.PHILLIPS,D.C.REES, JRNL AUTH 5 S.RICH,D.M.SMITH,G.TREWARTHA,M.VINKOVIC,B.WILLIAMS, JRNL AUTH 6 A.J.WOOLFORD JRNL TITL DISCOVERY OF (2,4-DIHYDROXY-5-ISOPROPYLPHENYL)-[5- JRNL TITL 2 (4-METHYLPIPERAZIN-1-YLMETHYL)-1,3-DIHYDROISOINDOL- JRNL TITL 3 2-YL]METHANONE (AT13387), A NOVEL INHIBITOR OF THE JRNL TITL 4 MOLECULAR CHAPERONE HSP90 BY FRAGMENT BASED DRUG DESIGN. JRNL REF J.MED.CHEM. V. 53 5956 2010 JRNL REFN ISSN 0022-2623 JRNL PMID 20662534 JRNL DOI 10.1021/JM100060B REMARK 2 REMARK 2 RESOLUTION. 1.66 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER-TNT 2.5.1 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK, REMARK 3 : MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.99 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.46 REMARK 3 NUMBER OF REFLECTIONS : 20155 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) : 0.1577 REMARK 3 R VALUE (WORKING SET) : 0.1550 REMARK 3 FREE R VALUE : 0.2076 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 REMARK 3 FREE R VALUE TEST SET COUNT : 1012 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 9 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 1.76 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.46 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 3164 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.1968 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3010 REMARK 3 BIN R VALUE (WORKING SET) : 0.1948 REMARK 3 BIN FREE R VALUE : 0.2332 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.87 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 154 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1765 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 30 REMARK 3 SOLVENT ATOMS : 198 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.279 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.03 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.08742065 REMARK 3 B22 (A**2) : 0.13840185 REMARK 3 B33 (A**2) : 0.94901880 REMARK 3 B12 (A**2) : 0.00000000 REMARK 3 B13 (A**2) : -6.93572824 REMARK 3 B23 (A**2) : 0.00000000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : NULL REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : NULL 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 : NULL REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : NULL ; NULL ; NULL REMARK 3 BOND ANGLES : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS : NULL ; NULL ; NULL REMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULL REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : NULL ; NULL ; NULL 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 : NULL ; NULL ; NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.394 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULL REMARK 3 OTHER TORSION ANGLES (DEGREES) : 16.228 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2XJX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-JUL-10. REMARK 100 THE PDBE ID CODE IS EBI-44517. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID23-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD (QUANTUM 315R) REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20868 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.66 REMARK 200 RESOLUTION RANGE LOW (A) : 43.99 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 200 DATA REDUNDANCY : 3.3 REMARK 200 R MERGE (I) : 0.06 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NONE REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 22.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.59 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 20.52500 REMARK 290 SMTRY3 2 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: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -12 REMARK 465 GLY A -11 REMARK 465 SER A -10 REMARK 465 SER A -9 REMARK 465 HIS A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 SER A -2 REMARK 465 SER A -1 REMARK 465 GLY A 0 REMARK 465 LEU A 1 REMARK 465 VAL A 2 REMARK 465 PRO A 3 REMARK 465 ARG A 4 REMARK 465 GLY A 5 REMARK 465 SER A 6 REMARK 465 HIS A 7 REMARK 465 MET A 8 REMARK 465 ASP A 9 REMARK 465 GLN A 10 REMARK 465 ASP A 232 REMARK 465 ASP A 233 REMARK 465 GLU A 234 REMARK 465 ALA A 235 REMARK 465 GLU A 236 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 MET A 12 -95.77 62.23 REMARK 500 THR A 94 41.19 -108.29 REMARK 500 ALA A 166 -141.17 65.43 REMARK 500 GLU A 178 107.58 -48.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE XJX A1232 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2CDD RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO- REMARK 900 BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H- REMARK 900 PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 1YES RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "OPEN REMARK 900 " CONFORMATION REMARK 900 RELATED ID: 1UY9 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1BYQ RELATED DB: PDB REMARK 900 HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG REMARK 900 RELATED ID: 2BSM RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1OSF RELATED DB: PDB REMARK 900 HUMAN HSP90 IN COMPLEX WITH 17-DESMETHOXY- REMARK 900 17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN REMARK 900 RELATED ID: 2WI3 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY8 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3- REMARK 900 TRIMETHOXY-BENZYL)-9H-PURIN-6YLAMINE REMARK 900 RELATED ID: 2BUG RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE TPR DOMAIN FROM REMARK 900 PROTEIN PHOSPHATASE 5 IN COMPLEX WITH HSP90 REMARK 900 DERIVED PEPTIDE REMARK 900 RELATED ID: 2WI4 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2UWD RELATED DB: PDB REMARK 900 INHIBITION OF THE HSP90 MOLECULAR CHAPERONE REMARK 900 IN VITRO AND IN VIVO BY NOVEL, SYNTHETIC REMARK 900 , POTENT RESORCINYLIC PYRAZOLE, ISOXAZOLE AMIDE REMARK 900 ANALOGS REMARK 900 RELATED ID: 2XHX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI7 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2BT0 RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1YER RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, " REMARK 900 CLOSED" CONFORMATION REMARK 900 RELATED ID: 2XDU RELATED DB: PDB REMARK 900 STRUCTUE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYG RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2BZ5 RELATED DB: PDB REMARK 900 STRUCTURE-BASED DISCOVERY OF A NEW CLASS REMARK 900 OF HSP90 INHIBITORS REMARK 900 RELATED ID: 2CCU RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4- REMARK 900 METHANESULPHONYL-BENZYL)-PIERAZIN-1-YL)-1H- REMARK 900 PYRAZOL-3-YL)-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 2XDS RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2XDX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2CCS RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN- REMARK 900 1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL REMARK 900 RELATED ID: 1UYF RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4- REMARK 900 YLNYL-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YC3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 1UYI RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1UYD RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2- REMARK 900 CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN- REMARK 900 6-YLAMINE REMARK 900 RELATED ID: 2BYI RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2XDL RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI2 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY6 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2VCI RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 2WI1 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2VCJ RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 1YC4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2C2L RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE CHIP U-BOX E3 REMARK 900 UBIQUITIN LIGASE REMARK 900 RELATED ID: 2FWZ RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H71 REMARK 900 RELATED ID: 2XDK RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYH RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 2XJG RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYK RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2CCT RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 5-(5-CHLORO-2,4- REMARK 900 DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL-2H- REMARK 900 PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE REMARK 900 RELATED ID: 2FWY RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H64 REMARK 900 RELATED ID: 1UYL RELATED DB: PDB REMARK 900 STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE- REMARK 900 BASED INHIBITOR BINDING TO HSP90 ISOFORMS REMARK 900 RELATED ID: 1UYE RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2WI6 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XAB RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND REMARK 900 RELATED ID: 1YC1 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2XHR RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYC RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2XHT RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UY7 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(4- REMARK 900 METHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YET RELATED DB: PDB REMARK 900 GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN- REMARK 900 BINDING DOMAIN REMARK 900 RELATED ID: 2JJC RELATED DB: PDB REMARK 900 HSP90 ALPHA ATPASE DOMAIN WITH BOUND SMALL REMARK 900 MOLECULE FRAGMENT REMARK 900 RELATED ID: 2BYH RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2WI5 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XJJ RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND DBREF 2XJX A 9 236 UNP P07900 HS90A_HUMAN 9 236 SEQADV 2XJX MET A -12 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A -11 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -10 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -9 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -8 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -7 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -5 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -4 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -3 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -2 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -1 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 0 UNP P07900 EXPRESSION TAG SEQADV 2XJX LEU A 1 UNP P07900 EXPRESSION TAG SEQADV 2XJX VAL A 2 UNP P07900 EXPRESSION TAG SEQADV 2XJX PRO A 3 UNP P07900 EXPRESSION TAG SEQADV 2XJX ARG A 4 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 5 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A 6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A 7 UNP P07900 EXPRESSION TAG SEQADV 2XJX MET A 8 UNP P07900 EXPRESSION TAG SEQRES 1 A 249 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 249 LEU VAL PRO ARG GLY SER HIS MET ASP GLN PRO MET GLU SEQRES 3 A 249 GLU GLU GLU VAL GLU THR PHE ALA PHE GLN ALA GLU ILE SEQRES 4 A 249 ALA GLN LEU MET SER LEU ILE ILE ASN THR PHE TYR SER SEQRES 5 A 249 ASN LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN SER SEQRES 6 A 249 SER ASP ALA LEU ASP LYS ILE ARG TYR GLU SER LEU THR SEQRES 7 A 249 ASP PRO SER LYS LEU ASP SER GLY LYS GLU LEU HIS ILE SEQRES 8 A 249 ASN LEU ILE PRO ASN LYS GLN ASP ARG THR LEU THR ILE SEQRES 9 A 249 VAL ASP THR GLY ILE GLY MET THR LYS ALA ASP LEU ILE SEQRES 10 A 249 ASN ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA SEQRES 11 A 249 PHE MET GLU ALA LEU GLN ALA GLY ALA ASP ILE SER MET SEQRES 12 A 249 ILE GLY GLN PHE GLY VAL GLY PHE TYR SER ALA TYR LEU SEQRES 13 A 249 VAL ALA GLU LYS VAL THR VAL ILE THR LYS HIS ASN ASP SEQRES 14 A 249 ASP GLU GLN TYR ALA TRP GLU SER SER ALA GLY GLY SER SEQRES 15 A 249 PHE THR VAL ARG THR ASP THR GLY GLU PRO MET GLY ARG SEQRES 16 A 249 GLY THR LYS VAL ILE LEU HIS LEU LYS GLU ASP GLN THR SEQRES 17 A 249 GLU TYR LEU GLU GLU ARG ARG ILE LYS GLU ILE VAL LYS SEQRES 18 A 249 LYS HIS SER GLN PHE ILE GLY TYR PRO ILE THR LEU PHE SEQRES 19 A 249 VAL GLU LYS GLU ARG ASP LYS GLU VAL SER ASP ASP GLU SEQRES 20 A 249 ALA GLU HET XJX A1232 30 HETNAM XJX ONALESPIB HETSYN XJX AT13387 FORMUL 2 XJX C24 H31 N3 O3 FORMUL 3 HOH *198(H2 O) HELIX 1 1 GLN A 23 THR A 36 1 14 HELIX 2 2 GLU A 42 ASP A 66 1 25 HELIX 3 3 PRO A 67 ASP A 71 5 5 HELIX 4 4 THR A 99 LEU A 107 1 9 HELIX 5 5 GLY A 114 ALA A 124 1 11 HELIX 6 6 ASP A 127 GLN A 133 5 7 HELIX 7 7 VAL A 136 TYR A 139 5 4 HELIX 8 8 SER A 140 VAL A 144 1 5 HELIX 9 9 GLU A 192 LEU A 198 5 7 HELIX 10 10 GLU A 199 SER A 211 1 13 HELIX 11 11 ASP A 227 SER A 231 5 5 SHEET 1 AA 8 VAL A 17 ALA A 21 0 SHEET 2 AA 8 SER A 169 THR A 174 -1 O PHE A 170 N PHE A 20 SHEET 3 AA 8 TYR A 160 SER A 164 -1 O ALA A 161 N ARG A 173 SHEET 4 AA 8 ALA A 145 LYS A 153 -1 O VAL A 148 N SER A 164 SHEET 5 AA 8 GLY A 183 LEU A 190 -1 O GLY A 183 N LYS A 153 SHEET 6 AA 8 THR A 88 ASP A 93 -1 O LEU A 89 N LEU A 188 SHEET 7 AA 8 ILE A 78 ASN A 83 -1 O ASN A 79 N VAL A 92 SHEET 8 AA 8 ILE A 218 LEU A 220 1 O THR A 219 N LEU A 80 SITE 1 AC1 13 LEU A 48 ASN A 51 ASP A 54 ALA A 55 SITE 2 AC1 13 ASP A 93 GLY A 97 MET A 98 PHE A 138 SITE 3 AC1 13 THR A 184 VAL A 186 HOH A2039 HOH A2084 SITE 4 AC1 13 HOH A2198 CRYST1 44.950 41.050 49.230 90.00 101.86 90.00 P 1 21 1 2 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 0.022247 0.000000 0.004672 0.00000 SCALE2 0.000000 0.024361 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020756 0.00000 ATOM 1 N PRO A 11 34.268 9.815 30.997 1.00 53.18 N ATOM 2 CA PRO A 11 35.333 9.029 30.391 1.00 53.05 C ATOM 3 C PRO A 11 35.173 7.572 30.734 1.00 58.99 C ATOM 4 O PRO A 11 34.075 7.011 30.638 1.00 59.78 O ATOM 5 CB PRO A 11 36.579 9.592 31.063 1.00 55.02 C ATOM 6 CG PRO A 11 36.276 11.053 31.164 1.00 61.02 C ATOM 7 CD PRO A 11 34.741 11.175 31.273 1.00 56.68 C ATOM 8 N MET A 12 36.280 6.963 31.138 1.00 56.59 N ATOM 9 CA MET A 12 36.304 5.556 31.443 1.00 55.84 C ATOM 10 C MET A 12 35.958 4.777 30.172 1.00 48.95 C ATOM 11 O MET A 12 36.817 4.592 29.318 1.00 47.17 O ATOM 12 CB MET A 12 35.368 5.228 32.613 1.00 59.95 C ATOM 13 CG MET A 12 35.944 5.634 33.966 1.00 65.87 C ATOM 14 SD MET A 12 37.665 5.071 34.183 1.00 72.23 S ATOM 15 CE MET A 12 37.408 3.274 34.484 1.00 68.69 C ATOM 16 N GLU A 13 34.694 4.403 30.002 1.00 38.00 N ATOM 17 CA GLU A 13 34.286 3.653 28.814 1.00 34.37 C ATOM 18 C GLU A 13 33.942 4.572 27.644 1.00 28.12 C ATOM 19 O GLU A 13 33.490 5.688 27.832 1.00 23.66 O ATOM 20 CB GLU A 13 33.131 2.733 29.180 1.00 36.29 C ATOM 21 CG GLU A 13 33.462 1.953 30.455 1.00 55.50 C ATOM 22 CD GLU A 13 32.348 1.969 31.491 1.00 85.37 C ATOM 23 OE1 GLU A 13 31.926 3.071 31.911 1.00 81.31 O ATOM 24 OE2 GLU A 13 31.936 0.874 31.928 1.00 84.78 O ATOM 25 N GLU A 14 34.230 4.112 26.439 1.00 22.24 N ATOM 26 CA GLU A 14 34.064 4.930 25.247 1.00 23.44 C ATOM 27 C GLU A 14 33.115 4.251 24.287 1.00 25.21 C ATOM 28 O GLU A 14 33.186 3.046 24.114 1.00 28.26 O ATOM 29 CB GLU A 14 35.417 5.046 24.556 1.00 25.94 C ATOM 30 CG GLU A 14 35.572 6.258 23.720 1.00 42.59 C ATOM 31 CD GLU A 14 36.925 6.873 23.916 1.00 72.19 C ATOM 32 OE1 GLU A 14 37.909 6.304 23.400 1.00 61.56 O ATOM 33 OE2 GLU A 14 37.004 7.888 24.645 1.00 71.65 O ATOM 34 N GLU A 15 32.245 5.020 23.650 1.00 16.92 N ATOM 35 CA GLU A 15 31.290 4.441 22.689 1.00 14.84 C ATOM 36 C GLU A 15 31.198 5.379 21.495 1.00 17.66 C ATOM 37 O GLU A 15 31.109 6.585 21.685 1.00 15.13 O ATOM 38 CB GLU A 15 29.902 4.280 23.303 1.00 16.86 C ATOM 39 CG GLU A 15 28.869 3.644 22.372 1.00 30.46 C ATOM 40 CD GLU A 15 27.534 3.373 23.056 1.00 59.35 C ATOM 41 OE1 GLU A 15 26.822 2.448 22.619 1.00 59.66 O ATOM 42 OE2 GLU A 15 27.199 4.075 24.036 1.00 59.15 O ATOM 43 N GLU A 16 31.252 4.823 20.279 1.00 13.53 N ATOM 44 CA GLU A 16 31.192 5.628 19.080 1.00 13.75 C ATOM 45 C GLU A 16 29.728 6.015 18.940 1.00 17.06 C ATOM 46 O GLU A 16 28.859 5.140 18.930 1.00 15.53 O ATOM 47 CB GLU A 16 31.631 4.788 17.857 1.00 15.57 C ATOM 48 CG GLU A 16 31.384 5.471 16.515 1.00 17.11 C ATOM 49 CD GLU A 16 32.368 6.582 16.208 1.00 16.71 C ATOM 50 OE1 GLU A 16 32.198 7.244 15.131 1.00 16.75 O ATOM 51 OE2 GLU A 16 33.357 6.745 16.991 1.00 17.86 O ATOM 52 N VAL A 17 29.462 7.317 18.821 1.00 14.77 N ATOM 53 CA VAL A 17 28.091 7.816 18.653 1.00 13.55 C ATOM 54 C VAL A 17 28.174 8.956 17.654 1.00 19.92 C ATOM 55 O VAL A 17 28.894 9.919 17.880 1.00 22.07 O ATOM 56 CB VAL A 17 27.520 8.354 19.948 1.00 17.24 C ATOM 57 CG1 VAL A 17 26.086 8.886 19.677 1.00 17.41 C ATOM 58 CG2 VAL A 17 27.491 7.235 21.027 1.00 16.90 C ATOM 59 N GLU A 18 27.484 8.815 16.529 1.00 12.70 N ATOM 60 CA GLU A 18 27.531 9.778 15.448 1.00 11.13 C ATOM 61 C GLU A 18 26.210 10.489 15.285 1.00 16.48 C ATOM 62 O GLU A 18 25.169 9.838 15.268 1.00 16.21 O ATOM 63 CB GLU A 18 27.918 9.049 14.155 1.00 13.19 C ATOM 64 CG GLU A 18 29.302 8.411 14.297 1.00 13.76 C ATOM 65 CD GLU A 18 29.601 7.386 13.207 1.00 23.16 C ATOM 66 OE1 GLU A 18 30.609 6.681 13.344 1.00 22.09 O ATOM 67 OE2 GLU A 18 28.811 7.241 12.254 1.00 16.33 O ATOM 68 N THR A 19 26.274 11.823 15.163 1.00 13.93 N ATOM 69 CA THR A 19 25.083 12.670 15.083 1.00 13.28 C ATOM 70 C THR A 19 24.852 13.119 13.676 1.00 15.74 C ATOM 71 O THR A 19 25.769 13.610 13.024 1.00 15.49 O ATOM 72 CB THR A 19 25.168 13.893 16.052 1.00 19.61 C ATOM 73 OG1 THR A 19 25.319 13.430 17.401 1.00 22.49 O ATOM 74 CG2 THR A 19 23.882 14.669 15.993 1.00 23.06 C ATOM 75 N PHE A 20 23.609 12.931 13.205 1.00 13.17 N ATOM 76 CA PHE A 20 23.242 13.239 11.847 1.00 13.32 C ATOM 77 C PHE A 20 22.000 14.083 11.752 1.00 18.07 C ATOM 78 O PHE A 20 21.149 14.053 12.634 1.00 17.09 O ATOM 79 CB PHE A 20 22.917 11.954 11.083 1.00 13.75 C ATOM 80 CG PHE A 20 24.078 11.038 10.913 1.00 14.08 C ATOM 81 CD1 PHE A 20 24.923 11.166 9.812 1.00 16.16 C ATOM 82 CD2 PHE A 20 24.251 9.971 11.779 1.00 14.18 C ATOM 83 CE1 PHE A 20 26.001 10.286 9.636 1.00 16.43 C ATOM 84 CE2 PHE A 20 25.332 9.087 11.603 1.00 17.49 C ATOM 85 CZ PHE A 20 26.198 9.273 10.533 1.00 15.32 C ATOM 86 N ALA A 21 21.914 14.845 10.659 1.00 14.09 N ATOM 87 CA ALA A 21 20.694 15.556 10.391 1.00 12.29 C ATOM 88 C ALA A 21 19.932 14.681 9.404 1.00 14.40 C ATOM 89 O ALA A 21 20.501 14.140 8.436 1.00 13.70 O ATOM 90 CB ALA A 21 21.010 16.919 9.679 1.00 13.29 C ATOM 91 N PHE A 22 18.628 14.626 9.571 1.00 11.41 N ATOM 92 CA PHE A 22 17.801 14.032 8.559 1.00 10.52 C ATOM 93 C PHE A 22 17.922 14.854 7.290 1.00 12.74 C ATOM 94 O PHE A 22 18.035 16.082 7.342 1.00 14.42 O ATOM 95 CB PHE A 22 16.346 14.080 9.005 1.00 11.04 C ATOM 96 CG PHE A 22 16.004 13.017 9.993 1.00 12.96 C ATOM 97 CD1 PHE A 22 16.042 11.686 9.602 1.00 14.90 C ATOM 98 CD2 PHE A 22 15.721 13.347 11.328 1.00 12.34 C ATOM 99 CE1 PHE A 22 15.732 10.670 10.503 1.00 13.85 C ATOM 100 CE2 PHE A 22 15.410 12.333 12.222 1.00 12.40 C ATOM 101 CZ PHE A 22 15.429 10.995 11.792 1.00 12.11 C ATOM 102 N GLN A 23 17.859 14.172 6.150 1.00 13.82 N ATOM 103 CA GLN A 23 17.842 14.834 4.854 1.00 14.69 C ATOM 104 C GLN A 23 16.627 15.793 4.860 1.00 16.05 C ATOM 105 O GLN A 23 15.614 15.533 5.495 1.00 14.73 O ATOM 106 CB GLN A 23 17.714 13.795 3.746 1.00 15.78 C ATOM 107 CG GLN A 23 17.842 14.356 2.349 1.00 18.18 C ATOM 108 CD GLN A 23 16.508 14.803 1.765 1.00 16.53 C ATOM 109 OE1 GLN A 23 15.435 14.397 2.237 1.00 16.48 O ATOM 110 NE2 GLN A 23 16.569 15.612 0.699 1.00 17.06 N ATOM 111 N ALA A 24 16.806 16.976 4.296 1.00 13.14 N ATOM 112 CA ALA A 24 15.775 18.023 4.429 1.00 14.54 C ATOM 113 C ALA A 24 14.306 17.623 4.171 1.00 15.71 C ATOM 114 O ALA A 24 13.407 18.037 4.911 1.00 15.04 O ATOM 115 CB ALA A 24 16.151 19.267 3.604 1.00 14.76 C ATOM 116 N GLU A 25 14.057 16.832 3.150 1.00 14.35 N ATOM 117 CA GLU A 25 12.661 16.470 2.873 1.00 14.39 C ATOM 118 C GLU A 25 12.149 15.438 3.881 1.00 14.87 C ATOM 119 O GLU A 25 10.977 15.477 4.278 1.00 15.57 O ATOM 120 CB GLU A 25 12.520 16.035 1.411 1.00 16.23 C ATOM 121 CG GLU A 25 12.577 17.269 0.495 1.00 21.45 C ATOM 122 CD GLU A 25 13.228 17.018 -0.846 1.00 44.06 C ATOM 123 OE1 GLU A 25 14.093 16.127 -0.968 1.00 33.22 O ATOM 124 OE2 GLU A 25 12.924 17.792 -1.771 1.00 45.71 O ATOM 125 N ILE A 26 13.041 14.577 4.357 1.00 11.78 N ATOM 126 C ILE A 26 12.293 14.389 6.644 1.00 15.16 C ATOM 127 O ILE A 26 11.321 14.086 7.303 1.00 13.39 O ATOM 128 CA AILE A 26 12.645 13.606 5.385 0.50 11.59 C ATOM 129 CB AILE A 26 13.746 12.547 5.645 0.50 13.98 C ATOM 130 CG1AILE A 26 13.957 11.663 4.402 0.50 14.76 C ATOM 131 CG2AILE A 26 13.412 11.720 6.894 0.50 15.79 C ATOM 132 CD1AILE A 26 12.885 10.618 4.197 0.50 20.10 C ATOM 133 CA BILE A 26 12.639 13.613 5.392 0.50 11.13 C ATOM 134 CB BILE A 26 13.732 12.583 5.691 0.50 13.00 C ATOM 135 CG1BILE A 26 13.927 11.647 4.498 0.50 13.22 C ATOM 136 CG2BILE A 26 13.410 11.822 6.990 0.50 14.70 C ATOM 137 CD1BILE A 26 15.152 10.825 4.633 0.50 8.69 C ATOM 138 N ALA A 27 13.084 15.426 6.961 1.00 14.14 N ATOM 139 CA ALA A 27 12.785 16.239 8.159 1.00 14.19 C ATOM 140 C ALA A 27 11.401 16.940 8.008 1.00 15.82 C ATOM 141 O ALA A 27 10.581 16.977 8.929 1.00 13.51 O ATOM 142 CB ALA A 27 13.921 17.241 8.472 1.00 15.59 C ATOM 143 N GLN A 28 11.150 17.464 6.825 1.00 14.24 N ATOM 144 CA GLN A 28 9.868 18.139 6.553 1.00 13.43 C ATOM 145 C GLN A 28 8.698 17.151 6.731 1.00 15.39 C ATOM 146 O GLN A 28 7.671 17.472 7.320 1.00 16.03 O ATOM 147 CB GLN A 28 9.930 18.590 5.096 1.00 16.53 C ATOM 148 CG GLN A 28 8.721 19.277 4.552 1.00 25.71 C ATOM 149 CD GLN A 28 9.087 20.103 3.314 1.00 39.16 C ATOM 150 OE1 GLN A 28 8.439 21.093 3.014 1.00 48.97 O ATOM 151 NE2 GLN A 28 10.213 19.773 2.689 1.00 21.17 N ATOM 152 N LEU A 29 8.872 15.945 6.214 1.00 11.46 N ATOM 153 CA LEU A 29 7.864 14.888 6.353 1.00 13.17 C ATOM 154 C LEU A 29 7.635 14.510 7.802 1.00 17.59 C ATOM 155 O LEU A 29 6.493 14.387 8.247 1.00 15.55 O ATOM 156 CB LEU A 29 8.294 13.668 5.525 1.00 14.54 C ATOM 157 CG LEU A 29 7.400 12.433 5.727 1.00 20.26 C ATOM 158 CD1 LEU A 29 5.930 12.789 5.478 1.00 21.27 C ATOM 159 CD2 LEU A 29 7.842 11.321 4.755 1.00 21.08 C ATOM 160 N MET A 30 8.726 14.275 8.552 1.00 13.84 N ATOM 161 CA MET A 30 8.561 13.900 9.949 1.00 12.55 C ATOM 162 C MET A 30 7.807 15.006 10.681 1.00 15.29 C ATOM 163 O MET A 30 6.979 14.728 11.505 1.00 16.36 O ATOM 164 CB MET A 30 9.930 13.679 10.601 1.00 13.42 C ATOM 165 CG MET A 30 10.579 12.403 10.069 1.00 13.69 C ATOM 166 SD MET A 30 12.224 12.127 10.774 1.00 15.49 S ATOM 167 CE MET A 30 11.699 11.542 12.466 1.00 15.40 C ATOM 168 N SER A 31 8.084 16.268 10.349 1.00 13.04 N ATOM 169 CA SER A 31 7.440 17.392 11.066 1.00 13.46 C ATOM 170 C SER A 31 5.928 17.377 10.731 1.00 17.60 C ATOM 171 O SER A 31 5.087 17.631 11.587 1.00 20.14 O ATOM 172 CB SER A 31 8.075 18.731 10.650 1.00 17.23 C ATOM 173 OG SER A 31 7.517 19.790 11.433 1.00 23.57 O ATOM 174 N LEU A 32 5.582 17.019 9.512 1.00 17.98 N ATOM 175 CA LEU A 32 4.161 16.912 9.134 1.00 20.86 C ATOM 176 C LEU A 32 3.531 15.800 9.975 1.00 26.45 C ATOM 177 O LEU A 32 2.509 15.993 10.624 1.00 26.69 O ATOM 178 CB LEU A 32 4.022 16.494 7.657 1.00 22.79 C ATOM 179 CG LEU A 32 3.699 17.527 6.588 1.00 28.29 C ATOM 180 CD1 LEU A 32 3.186 16.720 5.394 1.00 28.41 C ATOM 181 CD2 LEU A 32 2.601 18.445 7.126 1.00 31.65 C ATOM 182 N ILE A 33 4.179 14.639 9.973 1.00 19.45 N ATOM 183 CA ILE A 33 3.704 13.443 10.661 1.00 18.74 C ATOM 184 C ILE A 33 3.419 13.683 12.117 1.00 24.06 C ATOM 185 O ILE A 33 2.431 13.194 12.657 1.00 25.97 O ATOM 186 CB ILE A 33 4.693 12.262 10.452 1.00 19.49 C ATOM 187 CG1 ILE A 33 4.536 11.695 9.041 1.00 18.32 C ATOM 188 CG2 ILE A 33 4.477 11.145 11.483 1.00 22.00 C ATOM 189 CD1 ILE A 33 5.635 10.796 8.631 1.00 20.70 C ATOM 190 N ILE A 34 4.299 14.441 12.748 1.00 19.72 N ATOM 191 CA ILE A 34 4.236 14.714 14.159 1.00 19.71 C ATOM 192 C ILE A 34 3.301 15.860 14.530 1.00 24.75 C ATOM 193 O ILE A 34 2.681 15.838 15.614 1.00 26.22 O ATOM 194 CB ILE A 34 5.676 15.015 14.668 1.00 22.48 C ATOM 195 CG1 ILE A 34 6.596 13.810 14.468 1.00 22.52 C ATOM 196 CG2 ILE A 34 5.668 15.606 16.053 1.00 22.18 C ATOM 197 CD1 ILE A 34 8.067 14.113 14.768 1.00 24.13 C ATOM 198 N ASN A 35 3.301 16.909 13.711 1.00 20.34 N ATOM 199 CA ASN A 35 2.579 18.141 14.042 1.00 20.95 C ATOM 200 C ASN A 35 1.212 18.316 13.423 1.00 28.26 C ATOM 201 O ASN A 35 0.561 19.341 13.634 1.00 30.37 O ATOM 202 CB ASN A 35 3.458 19.349 13.718 1.00 21.21 C ATOM 203 CG ASN A 35 4.757 19.339 14.511 1.00 32.34 C ATOM 204 OD1 ASN A 35 5.844 19.138 13.960 1.00 28.68 O ATOM 205 ND2 ASN A 35 4.641 19.508 15.820 1.00 25.46 N ATOM 206 N THR A 36 0.805 17.342 12.623 1.00 22.70 N ATOM 207 CA THR A 36 -0.476 17.391 11.949 1.00 22.08 C ATOM 208 C THR A 36 -1.315 16.213 12.423 1.00 25.10 C ATOM 209 O THR A 36 -0.815 15.095 12.603 1.00 23.59 O ATOM 210 CB THR A 36 -0.283 17.325 10.421 1.00 31.01 C ATOM 211 OG1 THR A 36 0.483 18.464 10.003 1.00 31.07 O ATOM 212 CG2 THR A 36 -1.664 17.288 9.688 1.00 29.67 C ATOM 213 N PHE A 37 -2.611 16.432 12.582 1.00 20.02 N ATOM 214 CA PHE A 37 -3.422 15.313 13.003 1.00 19.78 C ATOM 215 C PHE A 37 -3.724 14.410 11.814 1.00 23.62 C ATOM 216 O PHE A 37 -4.050 14.901 10.726 1.00 23.79 O ATOM 217 CB PHE A 37 -4.719 15.775 13.682 1.00 22.52 C ATOM 218 CG PHE A 37 -5.670 14.646 13.983 1.00 24.48 C ATOM 219 CD1 PHE A 37 -5.620 13.988 15.196 1.00 28.98 C ATOM 220 CD2 PHE A 37 -6.628 14.271 13.048 1.00 25.67 C ATOM 221 CE1 PHE A 37 -6.501 12.934 15.467 1.00 30.03 C ATOM 222 CE2 PHE A 37 -7.528 13.236 13.322 1.00 28.53 C ATOM 223 CZ PHE A 37 -7.456 12.566 14.522 1.00 27.15 C ATOM 224 N TYR A 38 -3.548 13.098 11.988 1.00 18.65 N ATOM 225 CA TYR A 38 -3.911 12.156 10.941 1.00 16.94 C ATOM 226 C TYR A 38 -4.736 11.063 11.560 1.00 19.96 C ATOM 227 O TYR A 38 -4.395 10.558 12.621 1.00 19.81 O ATOM 228 CB TYR A 38 -2.682 11.507 10.290 1.00 18.79 C ATOM 229 CG TYR A 38 -1.855 12.489 9.479 1.00 22.37 C ATOM 230 CD1 TYR A 38 -2.329 12.995 8.278 1.00 25.73 C ATOM 231 CD2 TYR A 38 -0.646 12.981 9.981 1.00 23.41 C ATOM 232 CE1 TYR A 38 -1.609 13.963 7.571 1.00 25.03 C ATOM 233 CE2 TYR A 38 0.098 13.916 9.262 1.00 24.42 C ATOM 234 CZ TYR A 38 -0.386 14.399 8.065 1.00 28.46 C ATOM 235 OH TYR A 38 0.359 15.324 7.358 1.00 27.98 O ATOM 236 N SER A 39 -5.819 10.671 10.901 1.00 16.41 N ATOM 237 CA SER A 39 -6.606 9.574 11.450 1.00 15.57 C ATOM 238 C SER A 39 -5.920 8.258 11.015 1.00 18.36 C ATOM 239 O SER A 39 -5.051 8.262 10.134 1.00 18.14 O ATOM 240 CB SER A 39 -8.022 9.584 10.837 1.00 23.39 C ATOM 241 OG SER A 39 -8.569 10.888 10.867 1.00 29.37 O ATOM 242 N ASN A 40 -6.422 7.132 11.532 1.00 14.01 N ATOM 243 CA ASN A 40 -5.983 5.803 11.099 1.00 13.69 C ATOM 244 C ASN A 40 -4.477 5.548 11.198 1.00 13.15 C ATOM 245 O ASN A 40 -3.867 4.958 10.297 1.00 14.64 O ATOM 246 CB ASN A 40 -6.466 5.570 9.661 1.00 14.44 C ATOM 247 CG ASN A 40 -7.982 5.830 9.520 1.00 28.21 C ATOM 248 OD1 ASN A 40 -8.760 5.265 10.283 1.00 21.58 O ATOM 249 ND2 ASN A 40 -8.371 6.816 8.693 1.00 18.12 N ATOM 250 N LYS A 41 -3.943 5.861 12.366 1.00 10.97 N ATOM 251 CA LYS A 41 -2.522 5.656 12.638 1.00 11.09 C ATOM 252 C LYS A 41 -2.132 4.180 12.858 1.00 14.92 C ATOM 253 O LYS A 41 -0.948 3.839 12.856 1.00 15.37 O ATOM 254 CB LYS A 41 -2.159 6.516 13.859 1.00 12.76 C ATOM 255 CG LYS A 41 -2.198 7.999 13.531 1.00 12.84 C ATOM 256 CD LYS A 41 -1.796 8.852 14.761 1.00 14.13 C ATOM 257 CE LYS A 41 -1.400 10.259 14.318 1.00 19.63 C ATOM 258 NZ LYS A 41 -0.987 11.091 15.500 1.00 26.32 N ATOM 259 N GLU A 42 -3.108 3.321 13.099 1.00 14.44 N ATOM 260 CA GLU A 42 -2.786 1.933 13.425 1.00 13.53 C ATOM 261 C GLU A 42 -1.922 1.235 12.382 1.00 14.85 C ATOM 262 O GLU A 42 -1.292 0.215 12.676 1.00 14.60 O ATOM 263 CB GLU A 42 -4.060 1.131 13.645 1.00 14.38 C ATOM 264 CG GLU A 42 -4.895 0.957 12.381 1.00 17.46 C ATOM 265 CD GLU A 42 -6.214 0.286 12.705 1.00 36.99 C ATOM 266 OE1 GLU A 42 -6.753 -0.428 11.846 1.00 26.43 O ATOM 267 OE2 GLU A 42 -6.642 0.367 13.877 1.00 28.27 O ATOM 268 N ILE A 43 -1.851 1.821 11.183 1.00 12.53 N ATOM 269 CA ILE A 43 -1.054 1.235 10.091 1.00 12.16 C ATOM 270 C ILE A 43 0.443 1.272 10.367 1.00 11.28 C ATOM 271 O ILE A 43 1.229 0.612 9.680 1.00 12.72 O ATOM 272 CB ILE A 43 -1.421 1.806 8.718 1.00 14.69 C ATOM 273 CG1 ILE A 43 -1.172 3.303 8.669 1.00 14.29 C ATOM 274 CG2 ILE A 43 -2.923 1.545 8.418 1.00 13.96 C ATOM 275 CD1 ILE A 43 0.245 3.697 8.352 1.00 19.33 C ATOM 276 N PHE A 44 0.852 1.965 11.427 1.00 9.58 N ATOM 277 CA PHE A 44 2.294 1.966 11.737 1.00 9.12 C ATOM 278 C PHE A 44 2.768 0.536 11.995 1.00 13.31 C ATOM 279 O PHE A 44 3.912 0.188 11.682 1.00 13.50 O ATOM 280 CB PHE A 44 2.626 2.872 12.960 1.00 11.17 C ATOM 281 CG PHE A 44 2.327 2.221 14.277 1.00 11.87 C ATOM 282 CD1 PHE A 44 1.062 2.315 14.834 1.00 12.96 C ATOM 283 CD2 PHE A 44 3.302 1.482 14.928 1.00 13.35 C ATOM 284 CE1 PHE A 44 0.728 1.620 16.023 1.00 13.80 C ATOM 285 CE2 PHE A 44 2.984 0.783 16.138 1.00 14.37 C ATOM 286 CZ PHE A 44 1.691 0.861 16.664 1.00 13.37 C ATOM 287 N LEU A 45 1.917 -0.287 12.599 1.00 13.03 N ATOM 288 CA LEU A 45 2.334 -1.639 12.936 1.00 10.83 C ATOM 289 C LEU A 45 2.505 -2.464 11.682 1.00 13.95 C ATOM 290 O LEU A 45 3.424 -3.291 11.588 1.00 14.03 O ATOM 291 CB LEU A 45 1.382 -2.296 13.957 1.00 10.98 C ATOM 292 CG LEU A 45 1.902 -3.598 14.573 1.00 15.47 C ATOM 293 CD1 LEU A 45 3.336 -3.477 15.182 1.00 16.64 C ATOM 294 CD2 LEU A 45 0.910 -4.128 15.598 1.00 14.89 C ATOM 295 N ARG A 46 1.611 -2.245 10.723 1.00 8.86 N ATOM 296 CA ARG A 46 1.669 -2.976 9.472 1.00 9.92 C ATOM 297 C ARG A 46 3.025 -2.692 8.799 1.00 15.70 C ATOM 298 O ARG A 46 3.666 -3.581 8.279 1.00 17.03 O ATOM 299 CB ARG A 46 0.562 -2.450 8.549 1.00 11.63 C ATOM 300 CG ARG A 46 0.501 -3.208 7.207 1.00 21.38 C ATOM 301 CD ARG A 46 -0.295 -2.435 6.140 1.00 21.41 C ATOM 302 NE ARG A 46 0.273 -1.115 5.876 1.00 20.16 N ATOM 303 CZ ARG A 46 -0.423 -0.068 5.443 1.00 19.71 C ATOM 304 NH1 ARG A 46 -1.743 -0.173 5.283 1.00 18.27 N ATOM 305 NH2 ARG A 46 0.188 1.092 5.201 1.00 20.57 N ATOM 306 N GLU A 47 3.441 -1.425 8.808 1.00 13.81 N ATOM 307 CA GLU A 47 4.698 -1.039 8.163 1.00 13.86 C ATOM 308 C GLU A 47 5.909 -1.706 8.829 1.00 15.88 C ATOM 309 O GLU A 47 6.811 -2.210 8.152 1.00 14.98 O ATOM 310 CB GLU A 47 4.841 0.481 8.185 1.00 15.52 C ATOM 311 CG GLU A 47 3.790 1.163 7.322 1.00 15.10 C ATOM 312 CD GLU A 47 3.961 0.789 5.849 1.00 27.64 C ATOM 313 OE1 GLU A 47 5.109 0.650 5.397 1.00 21.26 O ATOM 314 OE2 GLU A 47 2.954 0.602 5.154 1.00 27.04 O ATOM 315 N LEU A 48 5.887 -1.744 10.148 1.00 12.24 N ATOM 316 CA LEU A 48 6.973 -2.364 10.901 1.00 11.53 C ATOM 317 C LEU A 48 7.040 -3.866 10.600 1.00 12.33 C ATOM 318 O LEU A 48 8.114 -4.397 10.352 1.00 11.86 O ATOM 319 CB LEU A 48 6.799 -2.153 12.413 1.00 12.63 C ATOM 320 CG LEU A 48 7.183 -0.753 12.914 1.00 18.03 C ATOM 321 CD1 LEU A 48 6.515 -0.500 14.229 1.00 17.54 C ATOM 322 CD2 LEU A 48 8.679 -0.660 13.166 1.00 26.06 C ATOM 323 N ILE A 49 5.895 -4.537 10.616 1.00 12.10 N ATOM 324 CA ILE A 49 5.852 -5.988 10.359 1.00 9.21 C ATOM 325 C ILE A 49 6.243 -6.262 8.916 1.00 13.24 C ATOM 326 O ILE A 49 6.927 -7.256 8.618 1.00 12.63 O ATOM 327 CB ILE A 49 4.483 -6.556 10.709 1.00 12.89 C ATOM 328 CG1 ILE A 49 4.217 -6.401 12.224 1.00 11.61 C ATOM 329 CG2 ILE A 49 4.337 -7.971 10.178 1.00 13.10 C ATOM 330 CD1 ILE A 49 2.798 -6.867 12.630 1.00 12.56 C ATOM 331 N SER A 50 5.903 -5.353 8.009 1.00 12.98 N ATOM 332 C SER A 50 7.809 -5.491 6.467 1.00 14.47 C ATOM 333 O SER A 50 8.406 -6.304 5.731 1.00 12.90 O ATOM 334 CA ASER A 50 6.296 -5.535 6.611 0.50 13.12 C ATOM 335 CB ASER A 50 5.642 -4.473 5.725 0.50 16.73 C ATOM 336 OG ASER A 50 4.277 -4.772 5.600 0.50 16.87 O ATOM 337 CA BSER A 50 6.285 -5.538 6.610 0.50 13.40 C ATOM 338 CB BSER A 50 5.626 -4.476 5.714 0.50 17.96 C ATOM 339 OG BSER A 50 6.125 -4.588 4.396 0.50 22.94 O ATOM 340 N ASN A 51 8.426 -4.539 7.165 1.00 12.44 N ATOM 341 CA ASN A 51 9.874 -4.377 7.122 1.00 11.64 C ATOM 342 C ASN A 51 10.548 -5.595 7.722 1.00 13.17 C ATOM 343 O ASN A 51 11.521 -6.090 7.163 1.00 12.87 O ATOM 344 CB ASN A 51 10.348 -3.065 7.790 1.00 10.59 C ATOM 345 CG ASN A 51 10.072 -1.831 6.910 1.00 24.22 C ATOM 346 OD1 ASN A 51 10.118 -1.921 5.694 1.00 32.54 O ATOM 347 ND2 ASN A 51 10.001 -0.669 7.524 1.00 25.00 N ATOM 348 N SER A 52 9.963 -6.131 8.805 1.00 10.34 N ATOM 349 CA SER A 52 10.524 -7.314 9.426 1.00 10.45 C ATOM 350 C SER A 52 10.421 -8.479 8.439 1.00 9.70 C ATOM 351 O SER A 52 11.375 -9.246 8.245 1.00 9.90 O ATOM 352 CB SER A 52 9.762 -7.639 10.701 1.00 11.63 C ATOM 353 OG SER A 52 10.047 -6.689 11.737 1.00 12.83 O ATOM 354 N SER A 53 9.245 -8.632 7.827 1.00 10.29 N ATOM 355 CA SER A 53 9.024 -9.720 6.878 1.00 10.25 C ATOM 356 C SER A 53 10.004 -9.657 5.730 1.00 12.24 C ATOM 357 O SER A 53 10.576 -10.679 5.369 1.00 12.82 O ATOM 358 CB SER A 53 7.571 -9.681 6.327 1.00 15.32 C ATOM 359 OG SER A 53 7.357 -10.783 5.434 1.00 20.15 O ATOM 360 N ASP A 54 10.238 -8.470 5.155 1.00 10.53 N ATOM 361 CA ASP A 54 11.243 -8.327 4.093 1.00 11.42 C ATOM 362 C ASP A 54 12.659 -8.728 4.551 1.00 12.51 C ATOM 363 O ASP A 54 13.410 -9.396 3.822 1.00 13.22 O ATOM 364 CB ASP A 54 11.282 -6.882 3.605 1.00 14.48 C ATOM 365 CG ASP A 54 10.016 -6.487 2.886 1.00 21.03 C ATOM 366 OD1 ASP A 54 9.227 -7.394 2.576 1.00 22.29 O ATOM 367 OD2 ASP A 54 9.926 -5.316 2.460 1.00 23.13 O ATOM 368 N ALA A 55 13.007 -8.336 5.768 1.00 10.64 N ATOM 369 CA ALA A 55 14.347 -8.666 6.313 1.00 11.31 C ATOM 370 C ALA A 55 14.466 -10.186 6.535 1.00 13.44 C ATOM 371 O ALA A 55 15.535 -10.788 6.362 1.00 12.87 O ATOM 372 CB ALA A 55 14.540 -7.953 7.603 1.00 11.55 C ATOM 373 N LEU A 56 13.367 -10.787 6.961 1.00 10.18 N ATOM 374 CA LEU A 56 13.348 -12.219 7.216 1.00 9.53 C ATOM 375 C LEU A 56 13.445 -12.950 5.872 1.00 13.64 C ATOM 376 O LEU A 56 14.195 -13.898 5.728 1.00 12.33 O ATOM 377 CB LEU A 56 12.084 -12.617 7.967 1.00 9.57 C ATOM 378 CG LEU A 56 12.127 -12.213 9.464 1.00 11.35 C ATOM 379 CD1 LEU A 56 10.740 -12.216 10.141 1.00 9.99 C ATOM 380 CD2 LEU A 56 13.021 -13.207 10.227 1.00 13.03 C ATOM 381 N ASP A 57 12.681 -12.503 4.883 1.00 12.20 N ATOM 382 CA ASP A 57 12.796 -13.063 3.524 1.00 11.84 C ATOM 383 C ASP A 57 14.249 -13.065 3.028 1.00 14.21 C ATOM 384 O ASP A 57 14.707 -14.042 2.407 1.00 13.18 O ATOM 385 CB ASP A 57 11.992 -12.194 2.542 1.00 12.04 C ATOM 386 CG ASP A 57 10.479 -12.486 2.569 1.00 18.43 C ATOM 387 OD1 ASP A 57 10.015 -13.480 3.187 1.00 17.53 O ATOM 388 OD2 ASP A 57 9.743 -11.701 1.937 1.00 17.03 O ATOM 389 N LYS A 58 14.940 -11.957 3.249 1.00 11.57 N ATOM 390 CA LYS A 58 16.330 -11.793 2.773 1.00 11.47 C ATOM 391 C LYS A 58 17.307 -12.807 3.381 1.00 14.52 C ATOM 392 O LYS A 58 18.055 -13.469 2.649 1.00 14.17 O ATOM 393 CB LYS A 58 16.810 -10.370 2.996 1.00 12.91 C ATOM 394 CG LYS A 58 18.078 -10.021 2.226 1.00 16.76 C ATOM 395 CD LYS A 58 17.874 -9.947 0.759 1.00 28.14 C ATOM 396 CE LYS A 58 19.197 -9.482 0.172 1.00 41.56 C ATOM 397 NZ LYS A 58 20.124 -10.634 -0.030 1.00 49.18 N ATOM 398 N ILE A 59 17.280 -12.950 4.707 1.00 10.61 N ATOM 399 CA ILE A 59 18.147 -13.948 5.362 1.00 10.04 C ATOM 400 C ILE A 59 17.730 -15.357 4.958 1.00 13.45 C ATOM 401 O ILE A 59 18.579 -16.188 4.726 1.00 13.48 O ATOM 402 CB ILE A 59 18.233 -13.807 6.890 1.00 12.85 C ATOM 403 CG1 ILE A 59 19.229 -14.831 7.481 1.00 14.77 C ATOM 404 CG2 ILE A 59 16.853 -13.986 7.543 1.00 11.37 C ATOM 405 CD1 ILE A 59 20.690 -14.626 7.060 1.00 18.04 C ATOM 406 N ARG A 60 16.433 -15.632 4.819 1.00 10.05 N ATOM 407 C ARG A 60 16.584 -17.247 2.991 1.00 12.52 C ATOM 408 O ARG A 60 17.163 -18.308 2.744 1.00 12.86 O ATOM 409 CA AARG A 60 16.011 -16.957 4.393 0.50 10.01 C ATOM 410 CB AARG A 60 14.493 -17.012 4.331 0.50 9.29 C ATOM 411 CG AARG A 60 13.994 -18.324 3.808 0.50 9.73 C ATOM 412 CD AARG A 60 12.492 -18.367 3.900 0.50 16.02 C ATOM 413 NE AARG A 60 11.859 -17.357 3.068 0.50 14.76 N ATOM 414 CZ AARG A 60 10.542 -17.183 3.030 0.50 42.24 C ATOM 415 NH1AARG A 60 9.756 -17.909 3.819 0.50 38.12 N ATOM 416 NH2AARG A 60 10.013 -16.284 2.224 0.50 29.53 N ATOM 417 CA BARG A 60 16.007 -16.961 4.395 0.50 10.04 C ATOM 418 CB BARG A 60 14.482 -17.012 4.340 0.50 10.20 C ATOM 419 CG BARG A 60 13.944 -18.172 3.535 0.50 13.85 C ATOM 420 CD BARG A 60 12.437 -18.294 3.718 0.50 18.47 C ATOM 421 NE BARG A 60 12.102 -18.775 5.055 0.50 21.93 N ATOM 422 CZ BARG A 60 10.893 -18.690 5.594 0.50 33.42 C ATOM 423 NH1BARG A 60 9.899 -18.133 4.914 0.50 28.06 N ATOM 424 NH2BARG A 60 10.673 -19.170 6.809 0.50 17.26 N ATOM 425 N TYR A 61 16.425 -16.290 2.079 1.00 9.70 N ATOM 426 CA TYR A 61 16.937 -16.428 0.706 1.00 8.42 C ATOM 427 C TYR A 61 18.442 -16.667 0.666 1.00 11.69 C ATOM 428 O TYR A 61 18.943 -17.559 -0.069 1.00 10.56 O ATOM 429 CB TYR A 61 16.600 -15.168 -0.086 1.00 9.47 C ATOM 430 CG TYR A 61 16.780 -15.304 -1.579 1.00 11.61 C ATOM 431 CD1 TYR A 61 15.821 -15.918 -2.358 1.00 13.46 C ATOM 432 CD2 TYR A 61 17.901 -14.760 -2.201 1.00 13.39 C ATOM 433 CE1 TYR A 61 15.964 -16.023 -3.742 1.00 16.01 C ATOM 434 CE2 TYR A 61 18.047 -14.826 -3.576 1.00 15.11 C ATOM 435 CZ TYR A 61 17.102 -15.493 -4.330 1.00 17.40 C ATOM 436 OH TYR A 61 17.266 -15.520 -5.700 1.00 17.16 O ATOM 437 N GLU A 62 19.191 -15.863 1.426 1.00 10.75 N ATOM 438 CA GLU A 62 20.650 -16.039 1.448 1.00 11.00 C ATOM 439 C GLU A 62 21.028 -17.397 2.021 1.00 10.81 C ATOM 440 O GLU A 62 22.007 -18.017 1.564 1.00 12.78 O ATOM 441 CB GLU A 62 21.324 -14.903 2.204 1.00 12.57 C ATOM 442 CG GLU A 62 21.053 -13.544 1.563 1.00 14.70 C ATOM 443 CD GLU A 62 21.993 -12.449 2.059 1.00 26.16 C ATOM 444 OE1 GLU A 62 21.769 -11.297 1.664 1.00 27.86 O ATOM 445 OE2 GLU A 62 22.930 -12.721 2.854 1.00 24.23 O ATOM 446 N SER A 63 20.260 -17.850 3.021 1.00 10.15 N ATOM 447 CA SER A 63 20.535 -19.123 3.671 1.00 10.36 C ATOM 448 C SER A 63 20.323 -20.345 2.773 1.00 17.22 C ATOM 449 O SER A 63 20.870 -21.395 3.076 1.00 15.12 O ATOM 450 CB SER A 63 19.711 -19.312 4.970 1.00 11.88 C ATOM 451 OG SER A 63 18.348 -19.518 4.690 1.00 14.48 O ATOM 452 N LEU A 64 19.537 -20.202 1.696 1.00 15.43 N ATOM 453 CA LEU A 64 19.325 -21.306 0.731 1.00 16.25 C ATOM 454 C LEU A 64 20.683 -21.762 0.230 1.00 18.13 C ATOM 455 O LEU A 64 20.912 -22.951 -0.001 1.00 20.19 O ATOM 456 CB LEU A 64 18.550 -20.806 -0.479 1.00 15.90 C ATOM 457 CG LEU A 64 17.065 -20.556 -0.269 1.00 16.30 C ATOM 458 CD1 LEU A 64 16.560 -19.958 -1.550 1.00 17.91 C ATOM 459 CD2 LEU A 64 16.368 -21.898 -0.045 1.00 16.65 C ATOM 460 N THR A 65 21.573 -20.796 0.043 1.00 12.79 N ATOM 461 CA THR A 65 22.895 -21.044 -0.520 1.00 12.76 C ATOM 462 C THR A 65 23.985 -21.169 0.530 1.00 19.52 C ATOM 463 O THR A 65 24.960 -21.896 0.343 1.00 18.78 O ATOM 464 CB THR A 65 23.242 -19.890 -1.477 1.00 12.94 C ATOM 465 OG1 THR A 65 22.180 -19.776 -2.423 1.00 15.15 O ATOM 466 CG2 THR A 65 24.560 -20.177 -2.195 1.00 16.71 C ATOM 467 N ASP A 66 23.826 -20.447 1.638 1.00 16.63 N ATOM 468 CA ASP A 66 24.860 -20.478 2.668 1.00 15.50 C ATOM 469 C ASP A 66 24.234 -20.595 4.053 1.00 16.90 C ATOM 470 O ASP A 66 23.955 -19.603 4.698 1.00 14.90 O ATOM 471 CB ASP A 66 25.731 -19.243 2.539 1.00 19.16 C ATOM 472 CG ASP A 66 26.876 -19.215 3.544 1.00 24.88 C ATOM 473 OD1 ASP A 66 27.018 -20.194 4.292 1.00 26.78 O ATOM 474 OD2 ASP A 66 27.608 -18.194 3.594 1.00 32.91 O ATOM 475 N PRO A 67 24.007 -21.832 4.513 1.00 17.44 N ATOM 476 CA PRO A 67 23.427 -22.162 5.822 1.00 18.80 C ATOM 477 C PRO A 67 24.187 -21.484 6.960 1.00 20.83 C ATOM 478 O PRO A 67 23.594 -21.201 8.010 1.00 19.25 O ATOM 479 CB PRO A 67 23.618 -23.682 5.916 1.00 20.97 C ATOM 480 CG PRO A 67 23.613 -24.155 4.485 1.00 23.30 C ATOM 481 CD PRO A 67 24.043 -22.996 3.615 1.00 17.76 C ATOM 482 N SER A 68 25.471 -21.203 6.740 1.00 17.82 N ATOM 483 CA SER A 68 26.309 -20.573 7.761 1.00 18.56 C ATOM 484 C SER A 68 25.836 -19.175 8.152 1.00 21.28 C ATOM 485 O SER A 68 26.119 -18.676 9.261 1.00 20.02 O ATOM 486 CB SER A 68 27.802 -20.604 7.394 1.00 21.28 C ATOM 487 OG SER A 68 28.139 -19.585 6.479 1.00 26.99 O ATOM 488 N LYS A 69 25.051 -18.566 7.275 1.00 15.77 N ATOM 489 CA LYS A 69 24.505 -17.255 7.585 1.00 14.79 C ATOM 490 C LYS A 69 23.512 -17.343 8.732 1.00 14.89 C ATOM 491 O LYS A 69 23.195 -16.333 9.344 1.00 14.03 O ATOM 492 CB LYS A 69 23.880 -16.626 6.349 1.00 14.88 C ATOM 493 CG LYS A 69 24.931 -16.185 5.345 1.00 18.44 C ATOM 494 CD LYS A 69 24.328 -15.560 4.163 1.00 15.90 C ATOM 495 CE LYS A 69 25.399 -14.811 3.347 1.00 25.38 C ATOM 496 NZ LYS A 69 24.952 -14.509 1.961 1.00 35.46 N ATOM 497 N LEU A 70 23.016 -18.539 9.029 1.00 12.84 N ATOM 498 CA LEU A 70 22.103 -18.727 10.160 1.00 14.01 C ATOM 499 C LEU A 70 22.837 -19.039 11.476 1.00 19.60 C ATOM 500 O LEU A 70 22.185 -19.245 12.490 1.00 22.80 O ATOM 501 CB LEU A 70 21.074 -19.845 9.896 1.00 13.88 C ATOM 502 CG LEU A 70 20.208 -19.631 8.647 1.00 17.83 C ATOM 503 CD1 LEU A 70 19.477 -20.930 8.274 1.00 19.18 C ATOM 504 CD2 LEU A 70 19.236 -18.433 8.865 1.00 14.54 C ATOM 505 N ASP A 71 24.173 -19.051 11.454 1.00 15.48 N ATOM 506 CA ASP A 71 25.000 -19.314 12.663 1.00 15.19 C ATOM 507 C ASP A 71 24.557 -18.418 13.830 1.00 20.94 C ATOM 508 O ASP A 71 24.492 -18.858 14.990 1.00 22.15 O ATOM 509 CB ASP A 71 26.476 -19.042 12.348 1.00 15.86 C ATOM 510 CG ASP A 71 27.186 -20.252 11.709 1.00 30.34 C ATOM 511 OD1 ASP A 71 26.527 -21.288 11.446 1.00 31.70 O ATOM 512 OD2 ASP A 71 28.426 -20.192 11.567 1.00 35.57 O ATOM 513 N SER A 72 24.232 -17.173 13.482 1.00 15.04 N ATOM 514 CA SER A 72 23.810 -16.115 14.399 1.00 16.61 C ATOM 515 C SER A 72 22.334 -16.127 14.865 1.00 24.24 C ATOM 516 O SER A 72 21.864 -15.186 15.518 1.00 23.34 O ATOM 517 CB SER A 72 24.110 -14.765 13.729 1.00 20.45 C ATOM 518 OG SER A 72 23.561 -14.741 12.403 1.00 22.67 O ATOM 519 N GLY A 73 21.582 -17.154 14.503 1.00 20.42 N ATOM 520 CA GLY A 73 20.201 -17.244 14.932 1.00 19.96 C ATOM 521 C GLY A 73 19.487 -18.090 13.900 1.00 21.32 C ATOM 522 O GLY A 73 19.409 -17.682 12.741 1.00 18.32 O ATOM 523 N LYS A 74 19.056 -19.294 14.285 1.00 15.40 N ATOM 524 CA LYS A 74 18.470 -20.205 13.304 1.00 15.18 C ATOM 525 C LYS A 74 16.976 -20.005 13.097 1.00 16.57 C ATOM 526 O LYS A 74 16.425 -20.444 12.109 1.00 16.83 O ATOM 527 CB LYS A 74 18.763 -21.669 13.686 1.00 18.82 C ATOM 528 CG LYS A 74 20.291 -21.917 13.785 1.00 26.65 C ATOM 529 CD LYS A 74 20.747 -23.170 13.095 1.00 34.09 C ATOM 530 CE LYS A 74 22.279 -23.195 13.020 1.00 41.09 C ATOM 531 NZ LYS A 74 22.908 -22.744 14.279 1.00 43.02 N ATOM 532 N GLU A 75 16.316 -19.358 14.060 1.00 12.90 N ATOM 533 CA GLU A 75 14.885 -19.222 14.016 1.00 13.82 C ATOM 534 C GLU A 75 14.479 -17.888 13.389 1.00 19.87 C ATOM 535 O GLU A 75 14.953 -16.838 13.816 1.00 19.16 O ATOM 536 CB GLU A 75 14.304 -19.342 15.444 1.00 15.58 C ATOM 537 CG GLU A 75 12.819 -19.067 15.508 1.00 28.82 C ATOM 538 CD GLU A 75 11.973 -20.316 15.525 1.00 64.49 C ATOM 539 OE1 GLU A 75 11.616 -20.799 14.433 1.00 59.76 O ATOM 540 OE2 GLU A 75 11.575 -20.748 16.630 1.00 67.44 O ATOM 541 N LEU A 76 13.593 -17.959 12.392 1.00 14.55 N ATOM 542 CA LEU A 76 13.119 -16.779 11.672 1.00 13.35 C ATOM 543 C LEU A 76 11.738 -16.459 12.203 1.00 15.59 C ATOM 544 O LEU A 76 10.786 -17.204 11.953 1.00 15.51 O ATOM 545 CB LEU A 76 13.069 -17.084 10.171 1.00 12.36 C ATOM 546 CG LEU A 76 14.423 -17.436 9.541 1.00 17.20 C ATOM 547 CD1 LEU A 76 14.353 -17.396 7.981 1.00 17.12 C ATOM 548 CD2 LEU A 76 15.457 -16.393 10.006 1.00 14.72 C ATOM 549 N HIS A 77 11.642 -15.412 13.026 1.00 12.21 N ATOM 550 CA HIS A 77 10.369 -15.058 13.609 1.00 11.82 C ATOM 551 C HIS A 77 10.249 -13.603 14.039 1.00 14.12 C ATOM 552 O HIS A 77 11.217 -12.887 13.960 1.00 13.12 O ATOM 553 CB HIS A 77 10.000 -16.002 14.754 1.00 13.80 C ATOM 554 CG HIS A 77 10.802 -15.826 15.999 1.00 19.68 C ATOM 555 ND1 HIS A 77 12.164 -15.609 15.998 1.00 23.13 N ATOM 556 CD2 HIS A 77 10.459 -16.024 17.297 1.00 22.85 C ATOM 557 CE1 HIS A 77 12.609 -15.567 17.242 1.00 22.78 C ATOM 558 NE2 HIS A 77 11.597 -15.825 18.050 1.00 24.46 N ATOM 559 N ILE A 78 9.051 -13.183 14.472 1.00 12.81 N ATOM 560 CA ILE A 78 8.814 -11.803 14.924 1.00 11.52 C ATOM 561 C ILE A 78 8.183 -11.862 16.298 1.00 15.78 C ATOM 562 O ILE A 78 7.257 -12.670 16.505 1.00 15.88 O ATOM 563 CB ILE A 78 7.824 -11.092 13.935 1.00 12.61 C ATOM 564 CG1 ILE A 78 8.401 -11.001 12.521 1.00 13.21 C ATOM 565 CG2 ILE A 78 7.403 -9.696 14.434 1.00 11.97 C ATOM 566 CD1 ILE A 78 7.350 -10.642 11.492 1.00 12.92 C ATOM 567 N ASN A 79 8.609 -10.988 17.214 1.00 12.43 N ATOM 568 CA ASN A 79 7.993 -10.921 18.537 1.00 11.73 C ATOM 569 C ASN A 79 7.471 -9.515 18.719 1.00 13.95 C ATOM 570 O ASN A 79 8.155 -8.564 18.351 1.00 12.63 O ATOM 571 CB ASN A 79 9.014 -11.178 19.652 1.00 14.26 C ATOM 572 CG ASN A 79 9.516 -12.609 19.673 1.00 17.75 C ATOM 573 OD1 ASN A 79 8.836 -13.505 19.239 1.00 18.94 O ATOM 574 ND2 ASN A 79 10.715 -12.804 20.168 1.00 18.53 N ATOM 575 N LEU A 80 6.282 -9.382 19.300 1.00 12.03 N ATOM 576 CA LEU A 80 5.733 -8.037 19.576 1.00 12.68 C ATOM 577 C LEU A 80 5.664 -7.951 21.082 1.00 14.96 C ATOM 578 O LEU A 80 5.062 -8.806 21.731 1.00 12.31 O ATOM 579 CB LEU A 80 4.317 -7.857 19.009 1.00 13.67 C ATOM 580 CG LEU A 80 4.120 -8.179 17.528 1.00 17.66 C ATOM 581 CD1 LEU A 80 2.632 -7.857 17.161 1.00 16.70 C ATOM 582 CD2 LEU A 80 5.065 -7.299 16.716 1.00 20.54 C ATOM 583 N ILE A 81 6.194 -6.855 21.622 1.00 11.96 N ATOM 584 CA ILE A 81 6.354 -6.710 23.033 1.00 11.58 C ATOM 585 C ILE A 81 5.852 -5.408 23.589 1.00 12.38 C ATOM 586 O ILE A 81 6.572 -4.412 23.618 1.00 13.91 O ATOM 587 CB ILE A 81 7.857 -6.881 23.410 1.00 15.52 C ATOM 588 CG1 ILE A 81 8.431 -8.128 22.723 1.00 15.96 C ATOM 589 CG2 ILE A 81 7.999 -6.984 24.943 1.00 17.47 C ATOM 590 CD1 ILE A 81 9.917 -8.259 22.883 1.00 22.88 C ATOM 591 N PRO A 82 4.608 -5.387 24.021 1.00 11.93 N ATOM 592 CA PRO A 82 4.191 -4.143 24.657 1.00 11.08 C ATOM 593 C PRO A 82 4.642 -4.139 26.102 1.00 17.50 C ATOM 594 O PRO A 82 4.692 -5.190 26.774 1.00 19.34 O ATOM 595 CB PRO A 82 2.671 -4.170 24.557 1.00 14.10 C ATOM 596 CG PRO A 82 2.303 -5.634 24.443 1.00 19.48 C ATOM 597 CD PRO A 82 3.519 -6.387 23.957 1.00 15.72 C ATOM 598 N ASN A 83 5.027 -2.968 26.590 1.00 12.86 N ATOM 599 CA ASN A 83 5.495 -2.902 27.980 1.00 13.50 C ATOM 600 C ASN A 83 4.835 -1.711 28.637 1.00 16.94 C ATOM 601 O ASN A 83 5.192 -0.575 28.383 1.00 15.70 O ATOM 602 CB ASN A 83 7.023 -2.788 28.031 1.00 15.93 C ATOM 603 CG ASN A 83 7.567 -2.752 29.452 1.00 25.60 C ATOM 604 OD1 ASN A 83 6.819 -2.571 30.415 1.00 28.60 O ATOM 605 ND2 ASN A 83 8.870 -2.956 29.589 1.00 23.36 N ATOM 606 N LYS A 84 3.839 -1.989 29.471 1.00 16.84 N ATOM 607 CA LYS A 84 3.139 -0.928 30.163 1.00 18.63 C ATOM 608 C LYS A 84 3.971 -0.205 31.210 1.00 20.98 C ATOM 609 O LYS A 84 3.586 0.875 31.661 1.00 22.40 O ATOM 610 CB LYS A 84 1.880 -1.492 30.797 1.00 20.84 C ATOM 611 CG LYS A 84 0.855 -1.893 29.771 1.00 25.34 C ATOM 612 CD LYS A 84 -0.406 -2.454 30.442 1.00 36.11 C ATOM 613 CE LYS A 84 -1.409 -2.899 29.384 1.00 47.29 C ATOM 614 NZ LYS A 84 -2.769 -3.151 29.936 1.00 63.02 N ATOM 615 N GLN A 85 5.062 -0.816 31.655 1.00 19.61 N ATOM 616 CA GLN A 85 5.916 -0.183 32.670 1.00 19.50 C ATOM 617 C GLN A 85 6.540 1.073 32.134 1.00 22.02 C ATOM 618 O GLN A 85 6.554 2.108 32.804 1.00 20.95 O ATOM 619 CB GLN A 85 7.049 -1.125 33.127 1.00 20.64 C ATOM 620 CG GLN A 85 6.563 -2.372 33.906 1.00 27.06 C ATOM 621 CD GLN A 85 7.677 -3.390 34.230 1.00 41.91 C ATOM 622 OE1 GLN A 85 7.398 -4.520 34.657 1.00 31.81 O ATOM 623 NE2 GLN A 85 8.927 -2.983 34.065 1.00 28.21 N ATOM 624 N ASP A 86 7.073 0.987 30.918 1.00 17.65 N ATOM 625 CA ASP A 86 7.726 2.144 30.312 1.00 17.11 C ATOM 626 C ASP A 86 7.051 2.680 29.044 1.00 17.00 C ATOM 627 O ASP A 86 7.605 3.552 28.377 1.00 18.81 O ATOM 628 CB ASP A 86 9.231 1.907 30.126 1.00 19.94 C ATOM 629 CG ASP A 86 9.520 0.823 29.123 1.00 20.34 C ATOM 630 OD1 ASP A 86 8.533 0.289 28.608 1.00 22.29 O ATOM 631 OD2 ASP A 86 10.706 0.541 28.841 1.00 28.38 O ATOM 632 N ARG A 87 5.807 2.261 28.790 1.00 14.59 N ATOM 633 CA ARG A 87 5.008 2.766 27.689 1.00 13.74 C ATOM 634 C ARG A 87 5.761 2.612 26.381 1.00 16.01 C ATOM 635 O ARG A 87 5.802 3.530 25.565 1.00 16.04 O ATOM 636 CB ARG A 87 4.676 4.254 27.907 1.00 18.34 C ATOM 637 CG ARG A 87 3.259 4.624 27.554 1.00 32.04 C ATOM 638 CD ARG A 87 2.884 5.980 28.144 1.00 43.07 C ATOM 639 NE ARG A 87 3.477 7.064 27.371 1.00 50.60 N ATOM 640 CZ ARG A 87 3.516 8.329 27.771 1.00 65.48 C ATOM 641 NH1 ARG A 87 2.981 8.676 28.939 1.00 50.29 N ATOM 642 NH2 ARG A 87 4.082 9.246 26.995 1.00 46.57 N ATOM 643 N THR A 88 6.343 1.434 26.193 1.00 11.99 N ATOM 644 CA THR A 88 6.977 1.105 24.929 1.00 12.31 C ATOM 645 C THR A 88 6.280 -0.054 24.245 1.00 14.07 C ATOM 646 O THR A 88 5.701 -0.933 24.888 1.00 14.73 O ATOM 647 CB THR A 88 8.492 0.736 25.088 1.00 18.13 C ATOM 648 OG1 THR A 88 8.619 -0.388 25.973 1.00 16.22 O ATOM 649 CG2 THR A 88 9.296 1.922 25.561 1.00 15.93 C ATOM 650 N LEU A 89 6.443 -0.109 22.929 1.00 10.95 N ATOM 651 CA LEU A 89 5.997 -1.238 22.123 1.00 10.93 C ATOM 652 C LEU A 89 7.212 -1.569 21.288 1.00 14.19 C ATOM 653 O LEU A 89 7.716 -0.700 20.550 1.00 12.41 O ATOM 654 CB LEU A 89 4.857 -0.856 21.201 1.00 11.32 C ATOM 655 CG LEU A 89 4.477 -2.006 20.254 1.00 14.61 C ATOM 656 CD1 LEU A 89 4.160 -3.270 21.082 1.00 14.20 C ATOM 657 CD2 LEU A 89 3.303 -1.593 19.397 1.00 17.81 C ATOM 658 N THR A 90 7.711 -2.801 21.450 1.00 11.35 N ATOM 659 CA THR A 90 8.908 -3.220 20.736 1.00 11.02 C ATOM 660 C THR A 90 8.544 -4.312 19.729 1.00 14.63 C ATOM 661 O THR A 90 7.738 -5.197 20.044 1.00 12.02 O ATOM 662 CB THR A 90 9.948 -3.758 21.759 1.00 16.45 C ATOM 663 OG1 THR A 90 10.272 -2.724 22.696 1.00 15.99 O ATOM 664 CG2 THR A 90 11.201 -4.226 21.065 1.00 14.61 C ATOM 665 N ILE A 91 9.121 -4.221 18.530 1.00 11.48 N ATOM 666 CA ILE A 91 8.942 -5.258 17.520 1.00 11.97 C ATOM 667 C ILE A 91 10.335 -5.833 17.299 1.00 15.09 C ATOM 668 O ILE A 91 11.229 -5.107 16.892 1.00 13.10 O ATOM 669 CB ILE A 91 8.380 -4.685 16.201 1.00 15.89 C ATOM 670 CG1 ILE A 91 6.947 -4.165 16.430 1.00 20.48 C ATOM 671 CG2 ILE A 91 8.372 -5.793 15.147 1.00 16.55 C ATOM 672 CD1 ILE A 91 6.892 -2.788 17.035 1.00 32.06 C ATOM 673 N VAL A 92 10.495 -7.147 17.480 1.00 11.43 N ATOM 674 CA VAL A 92 11.813 -7.779 17.295 1.00 9.86 C ATOM 675 C VAL A 92 11.732 -8.798 16.179 1.00 13.65 C ATOM 676 O VAL A 92 10.805 -9.628 16.174 1.00 12.57 O ATOM 677 CB VAL A 92 12.243 -8.599 18.589 1.00 15.52 C ATOM 678 CG1 VAL A 92 13.578 -9.242 18.345 1.00 17.41 C ATOM 679 CG2 VAL A 92 12.297 -7.761 19.822 1.00 16.36 C ATOM 680 N ASP A 93 12.725 -8.814 15.282 1.00 10.64 N ATOM 681 CA ASP A 93 12.729 -9.865 14.279 1.00 10.22 C ATOM 682 C ASP A 93 14.138 -10.406 14.175 1.00 13.78 C ATOM 683 O ASP A 93 15.094 -9.761 14.593 1.00 14.34 O ATOM 684 CB ASP A 93 12.219 -9.372 12.904 1.00 13.30 C ATOM 685 CG ASP A 93 13.168 -8.373 12.236 1.00 13.72 C ATOM 686 OD1 ASP A 93 14.312 -8.757 11.878 1.00 13.10 O ATOM 687 OD2 ASP A 93 12.773 -7.203 12.096 1.00 13.24 O ATOM 688 N THR A 94 14.245 -11.601 13.617 1.00 7.72 N ATOM 689 CA THR A 94 15.535 -12.243 13.428 1.00 9.46 C ATOM 690 C THR A 94 15.870 -12.227 11.935 1.00 11.39 C ATOM 691 O THR A 94 16.426 -13.195 11.385 1.00 10.10 O ATOM 692 CB THR A 94 15.567 -13.668 14.036 1.00 18.05 C ATOM 693 OG1 THR A 94 14.408 -14.393 13.578 1.00 11.58 O ATOM 694 CG2 THR A 94 15.519 -13.552 15.607 1.00 14.82 C ATOM 695 N GLY A 95 15.578 -11.096 11.282 1.00 9.23 N ATOM 696 CA GLY A 95 15.913 -10.973 9.867 1.00 8.89 C ATOM 697 C GLY A 95 17.403 -10.734 9.614 1.00 11.23 C ATOM 698 O GLY A 95 18.266 -10.903 10.503 1.00 10.80 O ATOM 699 N ILE A 96 17.714 -10.324 8.373 1.00 10.96 N ATOM 700 CA ILE A 96 19.078 -10.107 7.968 1.00 11.06 C ATOM 701 C ILE A 96 19.801 -8.962 8.691 1.00 12.60 C ATOM 702 O ILE A 96 21.022 -8.918 8.737 1.00 13.60 O ATOM 703 CB ILE A 96 19.151 -9.946 6.432 1.00 13.14 C ATOM 704 CG1 ILE A 96 20.598 -10.059 5.981 1.00 16.68 C ATOM 705 CG2 ILE A 96 18.514 -8.594 6.039 1.00 14.27 C ATOM 706 CD1 ILE A 96 20.746 -10.727 4.667 1.00 26.54 C ATOM 707 N GLY A 97 19.059 -8.042 9.296 1.00 10.56 N ATOM 708 CA GLY A 97 19.670 -6.953 10.026 1.00 10.16 C ATOM 709 C GLY A 97 20.235 -5.913 9.061 1.00 11.40 C ATOM 710 O GLY A 97 20.179 -6.079 7.840 1.00 11.46 O ATOM 711 N MET A 98 20.817 -4.860 9.613 1.00 9.75 N ATOM 712 CA MET A 98 21.369 -3.814 8.761 1.00 8.12 C ATOM 713 C MET A 98 22.816 -3.557 9.159 1.00 15.27 C ATOM 714 O MET A 98 23.148 -3.569 10.344 1.00 14.55 O ATOM 715 CB MET A 98 20.545 -2.529 9.023 1.00 10.70 C ATOM 716 CG MET A 98 19.221 -2.527 8.273 1.00 12.29 C ATOM 717 SD MET A 98 18.182 -1.104 8.699 1.00 15.45 S ATOM 718 CE MET A 98 17.755 -1.587 10.406 1.00 14.19 C ATOM 719 N THR A 99 23.641 -3.196 8.179 1.00 10.60 N ATOM 720 CA THR A 99 24.976 -2.757 8.447 1.00 12.59 C ATOM 721 C THR A 99 24.908 -1.273 8.834 1.00 14.48 C ATOM 722 O THR A 99 23.851 -0.618 8.813 1.00 14.61 O ATOM 723 CB THR A 99 25.834 -2.860 7.199 1.00 15.14 C ATOM 724 OG1 THR A 99 25.295 -1.970 6.197 1.00 15.04 O ATOM 725 CG2 THR A 99 25.807 -4.314 6.673 1.00 14.36 C ATOM 726 N LYS A 100 26.060 -0.721 9.164 1.00 11.44 N ATOM 727 CA LYS A 100 26.075 0.678 9.508 1.00 11.38 C ATOM 728 C LYS A 100 25.625 1.540 8.333 1.00 13.37 C ATOM 729 O LYS A 100 24.800 2.456 8.506 1.00 13.96 O ATOM 730 CB LYS A 100 27.489 1.098 9.892 1.00 14.47 C ATOM 731 CG LYS A 100 27.514 2.448 10.596 1.00 17.42 C ATOM 732 CD LYS A 100 28.999 2.771 10.805 1.00 24.99 C ATOM 733 CE LYS A 100 29.235 4.109 11.434 1.00 35.94 C ATOM 734 NZ LYS A 100 30.716 4.411 11.320 1.00 24.33 N ATOM 735 N ALA A 101 26.135 1.218 7.140 1.00 12.65 N ATOM 736 CA ALA A 101 25.785 1.977 5.938 1.00 12.47 C ATOM 737 C ALA A 101 24.294 1.813 5.682 1.00 14.87 C ATOM 738 O ALA A 101 23.617 2.782 5.360 1.00 14.31 O ATOM 739 CB ALA A 101 26.598 1.528 4.718 1.00 13.83 C ATOM 740 N ASP A 102 23.755 0.602 5.893 1.00 11.85 N ATOM 741 CA ASP A 102 22.297 0.392 5.656 1.00 11.69 C ATOM 742 C ASP A 102 21.481 1.297 6.605 1.00 15.19 C ATOM 743 O ASP A 102 20.459 1.894 6.189 1.00 13.55 O ATOM 744 CB ASP A 102 21.893 -1.049 5.907 1.00 14.62 C ATOM 745 CG ASP A 102 22.546 -2.035 4.935 1.00 19.30 C ATOM 746 OD1 ASP A 102 23.003 -1.591 3.836 1.00 18.18 O ATOM 747 OD2 ASP A 102 22.573 -3.263 5.269 1.00 19.83 O ATOM 748 N LEU A 103 21.872 1.378 7.880 1.00 14.75 N ATOM 749 CA LEU A 103 21.151 2.285 8.796 1.00 16.02 C ATOM 750 C LEU A 103 21.215 3.724 8.285 1.00 16.87 C ATOM 751 O LEU A 103 20.233 4.430 8.214 1.00 15.95 O ATOM 752 CB LEU A 103 21.748 2.278 10.210 1.00 16.56 C ATOM 753 CG LEU A 103 21.329 1.245 11.234 1.00 18.93 C ATOM 754 CD1 LEU A 103 22.082 1.561 12.509 1.00 16.89 C ATOM 755 CD2 LEU A 103 19.823 1.244 11.476 1.00 18.19 C ATOM 756 N ILE A 104 22.423 4.188 8.024 1.00 11.28 N ATOM 757 CA ILE A 104 22.641 5.564 7.595 1.00 11.19 C ATOM 758 C ILE A 104 21.883 5.913 6.304 1.00 13.45 C ATOM 759 O ILE A 104 21.330 6.995 6.200 1.00 16.35 O ATOM 760 CB ILE A 104 24.162 5.798 7.496 1.00 13.60 C ATOM 761 CG1 ILE A 104 24.757 5.931 8.905 1.00 14.65 C ATOM 762 CG2 ILE A 104 24.526 6.980 6.566 1.00 15.49 C ATOM 763 CD1 ILE A 104 26.258 5.712 8.930 1.00 21.53 C ATOM 764 N ASN A 105 21.896 5.000 5.313 1.00 10.41 N ATOM 765 CA ASN A 105 21.206 5.200 4.049 1.00 11.33 C ATOM 766 C ASN A 105 19.701 5.094 4.180 1.00 13.91 C ATOM 767 O ASN A 105 18.966 5.815 3.521 1.00 15.03 O ATOM 768 CB ASN A 105 21.681 4.164 2.954 1.00 9.34 C ATOM 769 CG ASN A 105 23.083 4.463 2.464 1.00 17.59 C ATOM 770 OD1 ASN A 105 23.480 5.636 2.398 1.00 18.26 O ATOM 771 ND2 ASN A 105 23.857 3.425 2.144 1.00 15.70 N ATOM 772 N ASN A 106 19.236 4.111 4.939 1.00 13.39 N ATOM 773 CA ASN A 106 17.797 3.852 5.003 1.00 13.60 C ATOM 774 C ASN A 106 17.061 4.688 6.021 1.00 16.49 C ATOM 775 O ASN A 106 15.848 4.882 5.904 1.00 16.67 O ATOM 776 CB ASN A 106 17.533 2.393 5.331 1.00 15.30 C ATOM 777 CG ASN A 106 17.653 1.507 4.133 1.00 30.81 C ATOM 778 OD1 ASN A 106 17.429 1.946 3.012 1.00 32.00 O ATOM 779 ND2 ASN A 106 18.011 0.240 4.358 1.00 36.38 N ATOM 780 N LEU A 107 17.777 5.107 7.054 1.00 12.70 N ATOM 781 CA LEU A 107 17.144 5.812 8.152 1.00 13.29 C ATOM 782 C LEU A 107 17.465 7.271 8.280 1.00 16.73 C ATOM 783 O LEU A 107 17.507 7.814 9.393 1.00 16.57 O ATOM 784 CB LEU A 107 17.329 5.039 9.470 1.00 12.73 C ATOM 785 CG LEU A 107 16.616 3.678 9.491 1.00 15.92 C ATOM 786 CD1 LEU A 107 16.592 3.059 10.893 1.00 15.96 C ATOM 787 CD2 LEU A 107 15.188 3.698 8.887 1.00 20.18 C ATOM 788 N GLY A 108 17.690 7.942 7.150 1.00 14.40 N ATOM 789 CA GLY A 108 17.657 9.381 7.221 1.00 16.04 C ATOM 790 C GLY A 108 18.616 10.306 6.531 1.00 18.71 C ATOM 791 O GLY A 108 18.334 11.483 6.382 1.00 17.98 O ATOM 792 N THR A 109 19.798 9.812 6.231 1.00 14.94 N ATOM 793 CA THR A 109 20.849 10.684 5.737 1.00 18.00 C ATOM 794 C THR A 109 20.673 11.130 4.276 1.00 24.03 C ATOM 795 O THR A 109 21.215 12.166 3.843 1.00 25.42 O ATOM 796 CB THR A 109 22.143 9.899 5.953 1.00 25.50 C ATOM 797 OG1 THR A 109 23.154 10.694 6.557 1.00 35.27 O ATOM 798 CG2 THR A 109 22.556 9.204 4.700 1.00 15.06 C ATOM 799 N ILE A 110 19.962 10.334 3.494 1.00 18.89 N ATOM 800 CA ILE A 110 19.793 10.650 2.094 1.00 18.68 C ATOM 801 C ILE A 110 18.333 10.713 1.701 1.00 22.68 C ATOM 802 O ILE A 110 17.457 10.145 2.364 1.00 22.43 O ATOM 803 CB ILE A 110 20.493 9.605 1.204 1.00 22.62 C ATOM 804 CG1 ILE A 110 19.855 8.234 1.406 1.00 21.72 C ATOM 805 CG2 ILE A 110 21.999 9.603 1.484 1.00 25.36 C ATOM 806 CD1 ILE A 110 20.535 7.144 0.582 1.00 24.15 C ATOM 807 N ALA A 111 18.087 11.370 0.575 1.00 19.51 N ATOM 808 CA ALA A 111 16.736 11.513 0.050 1.00 20.37 C ATOM 809 C ALA A 111 16.132 10.182 -0.314 1.00 24.70 C ATOM 810 O ALA A 111 16.836 9.287 -0.759 1.00 26.02 O ATOM 811 CB ALA A 111 16.752 12.424 -1.208 1.00 21.98 C ATOM 812 N LYS A 112 14.821 10.071 -0.151 1.00 19.81 N ATOM 813 CA LYS A 112 14.085 8.898 -0.582 1.00 19.88 C ATOM 814 C LYS A 112 13.226 9.411 -1.749 1.00 24.50 C ATOM 815 O LYS A 112 12.643 10.481 -1.662 1.00 24.72 O ATOM 816 CB LYS A 112 13.176 8.366 0.551 1.00 22.77 C ATOM 817 CG LYS A 112 13.925 7.561 1.670 1.00 27.23 C ATOM 818 CD LYS A 112 14.102 6.104 1.245 1.00 39.78 C ATOM 819 CE LYS A 112 15.206 5.368 2.032 1.00 44.97 C ATOM 820 NZ LYS A 112 16.613 5.494 1.454 1.00 33.35 N ATOM 821 N SER A 113 13.188 8.661 -2.838 1.00 22.07 N ATOM 822 CA SER A 113 12.439 9.023 -4.031 1.00 23.23 C ATOM 823 C SER A 113 11.010 9.520 -3.786 1.00 28.52 C ATOM 824 O SER A 113 10.514 10.407 -4.491 1.00 26.51 O ATOM 825 CB SER A 113 12.311 7.788 -4.941 1.00 26.64 C ATOM 826 OG SER A 113 13.548 7.140 -5.114 1.00 44.39 O ATOM 827 N GLY A 114 10.295 8.863 -2.882 1.00 25.23 N ATOM 828 CA GLY A 114 8.892 9.197 -2.737 1.00 25.10 C ATOM 829 C GLY A 114 8.513 10.258 -1.723 1.00 27.24 C ATOM 830 O GLY A 114 7.337 10.609 -1.594 1.00 24.85 O ATOM 831 N THR A 115 9.499 10.817 -1.044 1.00 22.22 N ATOM 832 CA THR A 115 9.190 11.783 0.008 1.00 20.94 C ATOM 833 C THR A 115 8.333 12.976 -0.402 1.00 22.72 C ATOM 834 O THR A 115 7.331 13.274 0.242 1.00 21.58 O ATOM 835 CB THR A 115 10.446 12.243 0.766 1.00 24.72 C ATOM 836 OG1 THR A 115 11.270 11.112 1.063 1.00 25.34 O ATOM 837 CG2 THR A 115 10.043 12.946 2.064 1.00 20.66 C ATOM 838 N LYS A 116 8.805 13.716 -1.398 1.00 19.65 N ATOM 839 CA LYS A 116 8.123 14.925 -1.833 1.00 19.00 C ATOM 840 C LYS A 116 6.705 14.617 -2.288 1.00 21.05 C ATOM 841 O LYS A 116 5.737 15.288 -1.893 1.00 21.25 O ATOM 842 CB LYS A 116 8.919 15.592 -2.964 1.00 21.52 C ATOM 843 CG LYS A 116 9.998 16.547 -2.468 1.00 37.95 C ATOM 844 CD LYS A 116 10.731 17.207 -3.630 1.00 46.42 C ATOM 845 CE LYS A 116 11.797 16.283 -4.198 1.00 57.73 C ATOM 846 NZ LYS A 116 12.676 16.988 -5.170 1.00 70.70 N ATOM 847 N ALA A 117 6.576 13.615 -3.143 1.00 19.33 N ATOM 848 CA ALA A 117 5.265 13.268 -3.655 1.00 20.05 C ATOM 849 C ALA A 117 4.354 12.835 -2.539 1.00 22.22 C ATOM 850 O ALA A 117 3.148 13.115 -2.547 1.00 24.34 O ATOM 851 CB ALA A 117 5.377 12.184 -4.707 1.00 21.42 C ATOM 852 N PHE A 118 4.917 12.164 -1.547 1.00 19.17 N ATOM 853 CA PHE A 118 4.101 11.710 -0.451 1.00 17.60 C ATOM 854 C PHE A 118 3.606 12.870 0.372 1.00 20.62 C ATOM 855 O PHE A 118 2.427 12.943 0.710 1.00 20.10 O ATOM 856 CB PHE A 118 4.781 10.657 0.405 1.00 19.17 C ATOM 857 CG PHE A 118 3.902 10.165 1.528 1.00 20.64 C ATOM 858 CD1 PHE A 118 2.605 9.735 1.252 1.00 23.53 C ATOM 859 CD2 PHE A 118 4.269 10.342 2.856 1.00 22.57 C ATOM 860 CE1 PHE A 118 1.751 9.333 2.278 1.00 23.39 C ATOM 861 CE2 PHE A 118 3.422 9.941 3.883 1.00 25.60 C ATOM 862 CZ PHE A 118 2.169 9.429 3.587 1.00 24.15 C ATOM 863 N MET A 119 4.471 13.850 0.606 1.00 19.10 N ATOM 864 CA MET A 119 4.052 15.029 1.352 1.00 17.59 C ATOM 865 C MET A 119 2.969 15.744 0.549 1.00 22.79 C ATOM 866 O MET A 119 1.991 16.204 1.116 1.00 20.58 O ATOM 867 CB MET A 119 5.239 15.949 1.590 1.00 19.06 C ATOM 868 CG MET A 119 6.266 15.327 2.503 1.00 22.34 C ATOM 869 SD MET A 119 7.397 16.526 3.157 1.00 27.08 S ATOM 870 CE MET A 119 8.322 16.838 1.668 1.00 23.43 C ATOM 871 N GLU A 120 3.144 15.827 -0.774 1.00 19.59 N ATOM 872 CA GLU A 120 2.134 16.501 -1.586 1.00 20.07 C ATOM 873 C GLU A 120 0.785 15.788 -1.509 1.00 24.27 C ATOM 874 O GLU A 120 -0.243 16.431 -1.450 1.00 25.73 O ATOM 875 CB GLU A 120 2.607 16.708 -3.041 1.00 20.88 C ATOM 876 CG GLU A 120 3.730 17.734 -3.132 1.00 28.26 C ATOM 877 CD GLU A 120 4.264 17.945 -4.533 1.00 44.88 C ATOM 878 OE1 GLU A 120 5.498 18.035 -4.679 1.00 35.33 O ATOM 879 OE2 GLU A 120 3.458 18.138 -5.467 1.00 29.99 O ATOM 880 N ALA A 121 0.805 14.461 -1.448 1.00 20.35 N ATOM 881 CA ALA A 121 -0.415 13.664 -1.309 1.00 20.82 C ATOM 882 C ALA A 121 -1.050 13.909 0.046 1.00 24.37 C ATOM 883 O ALA A 121 -2.267 14.049 0.153 1.00 21.76 O ATOM 884 CB ALA A 121 -0.090 12.217 -1.452 1.00 21.77 C ATOM 885 N LEU A 122 -0.231 13.965 1.093 1.00 20.73 N ATOM 886 CA LEU A 122 -0.771 14.196 2.430 1.00 22.92 C ATOM 887 C LEU A 122 -1.441 15.545 2.454 1.00 30.23 C ATOM 888 O LEU A 122 -2.586 15.692 2.901 1.00 29.68 O ATOM 889 CB LEU A 122 0.334 14.154 3.469 1.00 23.89 C ATOM 890 CG LEU A 122 0.787 12.754 3.848 1.00 27.42 C ATOM 891 CD1 LEU A 122 1.846 12.916 4.967 1.00 26.47 C ATOM 892 CD2 LEU A 122 -0.393 11.901 4.329 1.00 25.55 C ATOM 893 N GLN A 123 -0.736 16.523 1.915 1.00 28.92 N ATOM 894 CA GLN A 123 -1.242 17.883 1.858 1.00 30.05 C ATOM 895 C GLN A 123 -2.576 17.992 1.118 1.00 36.66 C ATOM 896 O GLN A 123 -3.388 18.857 1.442 1.00 37.79 O ATOM 897 CB GLN A 123 -0.161 18.832 1.318 1.00 31.28 C ATOM 898 CG GLN A 123 1.019 18.942 2.304 1.00 32.96 C ATOM 899 CD GLN A 123 2.241 19.646 1.733 1.00 56.61 C ATOM 900 OE1 GLN A 123 2.901 20.425 2.426 1.00 53.80 O ATOM 901 NE2 GLN A 123 2.594 19.314 0.495 1.00 48.10 N ATOM 902 N ALA A 124 -2.840 17.039 0.221 1.00 33.68 N ATOM 903 CA ALA A 124 -4.091 16.970 -0.528 1.00 34.42 C ATOM 904 C ALA A 124 -5.152 16.172 0.224 1.00 41.83 C ATOM 905 O ALA A 124 -6.277 16.008 -0.263 1.00 42.45 O ATOM 906 CB ALA A 124 -3.855 16.347 -1.891 1.00 34.81 C ATOM 907 N GLY A 125 -4.792 15.634 1.387 1.00 37.74 N ATOM 908 CA GLY A 125 -5.745 14.866 2.166 1.00 36.26 C ATOM 909 C GLY A 125 -5.657 13.357 2.024 1.00 37.25 C ATOM 910 O GLY A 125 -6.574 12.638 2.424 1.00 37.61 O ATOM 911 N ALA A 126 -4.554 12.861 1.469 1.00 30.10 N ATOM 912 CA ALA A 126 -4.393 11.426 1.331 1.00 28.02 C ATOM 913 C ALA A 126 -4.427 10.812 2.733 1.00 28.17 C ATOM 914 O ALA A 126 -4.161 11.489 3.738 1.00 26.80 O ATOM 915 CB ALA A 126 -3.061 11.097 0.643 1.00 28.70 C ATOM 916 N ASP A 127 -4.750 9.529 2.797 1.00 24.03 N ATOM 917 CA ASP A 127 -4.743 8.863 4.071 1.00 24.21 C ATOM 918 C ASP A 127 -3.306 8.467 4.357 1.00 25.78 C ATOM 919 O ASP A 127 -2.557 8.091 3.445 1.00 25.28 O ATOM 920 CB ASP A 127 -5.620 7.630 4.077 1.00 27.13 C ATOM 921 CG ASP A 127 -5.871 7.120 5.489 1.00 35.74 C ATOM 922 OD1 ASP A 127 -6.640 7.780 6.266 1.00 34.21 O ATOM 923 OD2 ASP A 127 -5.258 6.082 5.813 1.00 35.15 O ATOM 924 N ILE A 128 -2.925 8.584 5.622 1.00 20.38 N ATOM 925 CA ILE A 128 -1.565 8.258 6.024 1.00 19.44 C ATOM 926 C ILE A 128 -1.182 6.826 5.607 1.00 19.51 C ATOM 927 O ILE A 128 -0.006 6.513 5.426 1.00 16.34 O ATOM 928 CB ILE A 128 -1.371 8.497 7.534 1.00 21.80 C ATOM 929 CG1 ILE A 128 0.126 8.560 7.880 1.00 22.17 C ATOM 930 CG2 ILE A 128 -2.100 7.421 8.329 1.00 23.27 C ATOM 931 CD1 ILE A 128 0.817 9.861 7.471 1.00 25.31 C ATOM 932 N SER A 129 -2.181 5.957 5.454 1.00 21.38 N ATOM 933 CA SER A 129 -1.942 4.578 5.042 1.00 21.77 C ATOM 934 C SER A 129 -1.127 4.410 3.746 1.00 23.34 C ATOM 935 O SER A 129 -0.510 3.377 3.525 1.00 22.73 O ATOM 936 CB SER A 129 -3.272 3.825 4.938 1.00 28.31 C ATOM 937 OG SER A 129 -3.052 2.487 4.509 1.00 43.74 O ATOM 938 N MET A 130 -1.115 5.434 2.903 1.00 23.13 N ATOM 939 CA MET A 130 -0.373 5.399 1.633 1.00 24.69 C ATOM 940 C MET A 130 1.134 5.452 1.840 1.00 24.33 C ATOM 941 O MET A 130 1.932 5.159 0.927 1.00 24.37 O ATOM 942 CB MET A 130 -0.801 6.606 0.782 1.00 29.03 C ATOM 943 CG MET A 130 -2.214 6.482 0.252 1.00 35.81 C ATOM 944 SD MET A 130 -2.246 4.970 -0.710 1.00 42.20 S ATOM 945 CE MET A 130 -1.226 5.523 -2.151 1.00 38.51 C ATOM 946 N ILE A 131 1.534 5.821 3.048 1.00 20.12 N ATOM 947 CA ILE A 131 2.964 6.005 3.359 1.00 18.31 C ATOM 948 C ILE A 131 3.888 4.886 2.885 1.00 22.09 C ATOM 949 O ILE A 131 5.016 5.139 2.450 1.00 22.08 O ATOM 950 CB ILE A 131 3.164 6.323 4.866 1.00 18.90 C ATOM 951 CG1 ILE A 131 4.622 6.755 5.154 1.00 20.36 C ATOM 952 CG2 ILE A 131 2.834 5.110 5.686 1.00 16.60 C ATOM 953 CD1 ILE A 131 4.813 7.471 6.492 1.00 17.99 C ATOM 954 N GLY A 132 3.463 3.647 3.084 1.00 20.70 N ATOM 955 CA GLY A 132 4.282 2.500 2.720 1.00 20.23 C ATOM 956 C GLY A 132 4.599 2.465 1.229 1.00 23.01 C ATOM 957 O GLY A 132 5.735 2.217 0.835 1.00 21.90 O ATOM 958 N GLN A 133 3.586 2.677 0.394 1.00 20.19 N ATOM 959 CA GLN A 133 3.848 2.669 -1.048 1.00 21.08 C ATOM 960 C GLN A 133 4.918 3.656 -1.463 1.00 24.31 C ATOM 961 O GLN A 133 5.563 3.484 -2.516 1.00 23.67 O ATOM 962 CB GLN A 133 2.567 2.985 -1.804 1.00 22.68 C ATOM 963 CG GLN A 133 1.474 1.981 -1.600 1.00 27.50 C ATOM 964 CD GLN A 133 0.143 2.515 -2.075 1.00 51.11 C ATOM 965 OE1 GLN A 133 0.040 3.035 -3.180 1.00 45.55 O ATOM 966 NE2 GLN A 133 -0.856 2.485 -1.203 1.00 46.27 N ATOM 967 N PHE A 134 5.007 4.769 -0.731 1.00 21.11 N ATOM 968 CA PHE A 134 5.947 5.829 -1.084 1.00 20.39 C ATOM 969 C PHE A 134 7.375 5.587 -0.620 1.00 25.35 C ATOM 970 O PHE A 134 8.241 6.427 -0.845 1.00 27.14 O ATOM 971 CB PHE A 134 5.453 7.197 -0.625 1.00 21.91 C ATOM 972 CG PHE A 134 4.305 7.734 -1.426 1.00 22.25 C ATOM 973 CD1 PHE A 134 3.006 7.444 -1.074 1.00 25.23 C ATOM 974 CD2 PHE A 134 4.542 8.613 -2.498 1.00 25.82 C ATOM 975 CE1 PHE A 134 1.943 7.996 -1.775 1.00 25.78 C ATOM 976 CE2 PHE A 134 3.498 9.176 -3.193 1.00 27.12 C ATOM 977 CZ PHE A 134 2.207 8.863 -2.856 1.00 25.92 C ATOM 978 N GLY A 135 7.620 4.449 0.028 1.00 19.19 N ATOM 979 CA GLY A 135 8.962 4.068 0.436 1.00 19.37 C ATOM 980 C GLY A 135 9.416 4.697 1.739 1.00 21.45 C ATOM 981 O GLY A 135 10.544 4.473 2.169 1.00 21.18 O ATOM 982 N VAL A 136 8.535 5.458 2.377 1.00 19.90 N ATOM 983 CA VAL A 136 8.881 6.110 3.649 1.00 19.41 C ATOM 984 C VAL A 136 8.092 5.513 4.808 1.00 20.62 C ATOM 985 O VAL A 136 7.852 6.208 5.800 1.00 17.65 O ATOM 986 CB VAL A 136 8.724 7.668 3.575 1.00 22.46 C ATOM 987 CG1 VAL A 136 9.900 8.270 2.785 1.00 22.08 C ATOM 988 CG2 VAL A 136 7.431 8.047 2.876 1.00 21.81 C ATOM 989 N GLY A 137 7.690 4.245 4.684 1.00 17.58 N ATOM 990 CA GLY A 137 6.871 3.599 5.715 1.00 16.46 C ATOM 991 C GLY A 137 7.435 3.632 7.122 1.00 15.38 C ATOM 992 O GLY A 137 6.685 3.727 8.104 1.00 14.33 O ATOM 993 N PHE A 138 8.760 3.565 7.252 1.00 12.04 N ATOM 994 CA PHE A 138 9.348 3.531 8.613 1.00 12.22 C ATOM 995 C PHE A 138 8.874 4.734 9.461 1.00 10.10 C ATOM 996 O PHE A 138 8.594 4.606 10.646 1.00 11.66 O ATOM 997 CB PHE A 138 10.881 3.574 8.490 1.00 14.93 C ATOM 998 CG PHE A 138 11.552 3.906 9.779 1.00 15.45 C ATOM 999 CD1 PHE A 138 11.487 3.005 10.843 1.00 17.40 C ATOM 1000 CD2 PHE A 138 12.100 5.157 9.989 1.00 15.53 C ATOM 1001 CE1 PHE A 138 12.026 3.340 12.080 1.00 17.69 C ATOM 1002 CE2 PHE A 138 12.671 5.479 11.212 1.00 15.05 C ATOM 1003 CZ PHE A 138 12.607 4.583 12.256 1.00 14.28 C ATOM 1004 N TYR A 139 8.793 5.891 8.817 1.00 9.11 N ATOM 1005 CA TYR A 139 8.445 7.140 9.511 1.00 8.88 C ATOM 1006 C TYR A 139 7.060 7.183 10.098 1.00 11.12 C ATOM 1007 O TYR A 139 6.767 8.015 10.967 1.00 12.08 O ATOM 1008 CB TYR A 139 8.740 8.339 8.592 1.00 9.01 C ATOM 1009 CG TYR A 139 10.245 8.434 8.318 1.00 10.90 C ATOM 1010 CD1 TYR A 139 11.140 8.819 9.314 1.00 12.55 C ATOM 1011 CD2 TYR A 139 10.766 7.982 7.108 1.00 12.38 C ATOM 1012 CE1 TYR A 139 12.559 8.822 9.063 1.00 13.38 C ATOM 1013 CE2 TYR A 139 12.132 8.017 6.831 1.00 12.73 C ATOM 1014 CZ TYR A 139 13.024 8.444 7.807 1.00 13.76 C ATOM 1015 OH TYR A 139 14.391 8.317 7.574 1.00 14.85 O ATOM 1016 N SER A 140 6.217 6.236 9.698 1.00 11.75 N ATOM 1017 CA SER A 140 4.894 6.085 10.318 1.00 13.35 C ATOM 1018 C SER A 140 5.009 5.803 11.825 1.00 13.52 C ATOM 1019 O SER A 140 4.061 6.098 12.614 1.00 13.01 O ATOM 1020 CB SER A 140 4.112 4.934 9.642 1.00 14.41 C ATOM 1021 OG SER A 140 4.707 3.688 9.931 1.00 11.28 O ATOM 1022 N ALA A 141 6.201 5.364 12.269 1.00 10.64 N ATOM 1023 CA ALA A 141 6.382 5.110 13.680 1.00 11.53 C ATOM 1024 C ALA A 141 6.120 6.421 14.443 1.00 12.53 C ATOM 1025 O ALA A 141 5.669 6.393 15.584 1.00 13.27 O ATOM 1026 CB ALA A 141 7.788 4.582 14.005 1.00 11.20 C ATOM 1027 N TYR A 142 6.460 7.547 13.831 1.00 13.00 N ATOM 1028 CA TYR A 142 6.279 8.846 14.486 1.00 11.23 C ATOM 1029 C TYR A 142 4.837 9.356 14.622 1.00 13.78 C ATOM 1030 O TYR A 142 4.554 10.388 15.272 1.00 13.29 O ATOM 1031 CB TYR A 142 7.223 9.903 13.922 1.00 10.06 C ATOM 1032 CG TYR A 142 8.669 9.597 14.261 1.00 9.05 C ATOM 1033 CD1 TYR A 142 9.194 9.989 15.484 1.00 12.12 C ATOM 1034 CD2 TYR A 142 9.428 8.761 13.449 1.00 10.94 C ATOM 1035 CE1 TYR A 142 10.505 9.686 15.851 1.00 11.01 C ATOM 1036 CE2 TYR A 142 10.740 8.390 13.821 1.00 12.79 C ATOM 1037 CZ TYR A 142 11.235 8.819 15.041 1.00 13.07 C ATOM 1038 OH TYR A 142 12.515 8.494 15.397 1.00 13.98 O ATOM 1039 N LEU A 143 3.918 8.595 14.061 1.00 12.24 N ATOM 1040 CA LEU A 143 2.500 8.887 14.220 1.00 11.48 C ATOM 1041 C LEU A 143 2.137 8.563 15.652 1.00 15.31 C ATOM 1042 O LEU A 143 1.278 9.228 16.220 1.00 14.83 O ATOM 1043 CB LEU A 143 1.676 7.959 13.316 1.00 11.16 C ATOM 1044 CG LEU A 143 1.787 8.260 11.821 1.00 14.47 C ATOM 1045 CD1 LEU A 143 1.108 7.099 11.052 1.00 15.66 C ATOM 1046 CD2 LEU A 143 1.165 9.602 11.436 1.00 14.07 C ATOM 1047 N VAL A 144 2.801 7.552 16.222 1.00 10.48 N ATOM 1048 CA VAL A 144 2.475 7.092 17.586 1.00 8.84 C ATOM 1049 C VAL A 144 3.582 7.227 18.650 1.00 13.32 C ATOM 1050 O VAL A 144 3.297 7.109 19.849 1.00 13.45 O ATOM 1051 CB VAL A 144 1.964 5.623 17.587 1.00 13.19 C ATOM 1052 CG1 VAL A 144 0.672 5.472 16.684 1.00 12.63 C ATOM 1053 CG2 VAL A 144 3.087 4.710 17.074 1.00 13.90 C ATOM 1054 N ALA A 145 4.827 7.377 18.216 1.00 12.23 N ATOM 1055 CA ALA A 145 5.957 7.405 19.145 1.00 11.67 C ATOM 1056 C ALA A 145 6.659 8.749 19.182 1.00 15.17 C ATOM 1057 O ALA A 145 6.790 9.409 18.128 1.00 14.30 O ATOM 1058 CB ALA A 145 6.962 6.327 18.695 1.00 11.47 C ATOM 1059 N GLU A 146 7.072 9.182 20.374 1.00 13.81 N ATOM 1060 CA GLU A 146 7.845 10.406 20.507 1.00 14.08 C ATOM 1061 C GLU A 146 9.328 10.154 20.394 1.00 15.86 C ATOM 1062 O GLU A 146 10.109 11.096 20.143 1.00 16.89 O ATOM 1063 CB GLU A 146 7.562 11.127 21.821 1.00 16.38 C ATOM 1064 CG GLU A 146 7.418 10.188 22.986 1.00 21.57 C ATOM 1065 CD GLU A 146 6.898 10.911 24.219 1.00 41.20 C ATOM 1066 OE1 GLU A 146 6.335 12.015 24.076 1.00 38.30 O ATOM 1067 OE2 GLU A 146 7.042 10.370 25.327 1.00 30.88 O ATOM 1068 N LYS A 147 9.710 8.890 20.518 1.00 11.44 N ATOM 1069 CA LYS A 147 11.101 8.504 20.324 1.00 11.10 C ATOM 1070 C LYS A 147 11.113 7.095 19.791 1.00 11.19 C ATOM 1071 O LYS A 147 10.288 6.264 20.211 1.00 11.97 O ATOM 1072 CB LYS A 147 11.852 8.582 21.637 1.00 11.41 C ATOM 1073 CG LYS A 147 13.286 8.161 21.560 1.00 15.30 C ATOM 1074 CD LYS A 147 13.980 8.420 22.880 1.00 25.79 C ATOM 1075 CE LYS A 147 15.221 7.535 23.034 1.00 44.92 C ATOM 1076 NZ LYS A 147 16.006 7.828 24.285 1.00 40.25 N ATOM 1077 N VAL A 148 12.040 6.804 18.879 1.00 10.13 N ATOM 1078 CA VAL A 148 12.152 5.468 18.302 1.00 9.22 C ATOM 1079 C VAL A 148 13.612 5.080 18.359 1.00 13.14 C ATOM 1080 O VAL A 148 14.473 5.913 18.073 1.00 12.47 O ATOM 1081 CB VAL A 148 11.651 5.430 16.833 1.00 13.06 C ATOM 1082 CG1 VAL A 148 11.912 4.034 16.175 1.00 12.78 C ATOM 1083 CG2 VAL A 148 10.169 5.861 16.747 1.00 13.72 C ATOM 1084 N THR A 149 13.870 3.856 18.799 1.00 10.69 N ATOM 1085 CA THR A 149 15.238 3.320 18.847 1.00 10.39 C ATOM 1086 C THR A 149 15.208 2.097 17.932 1.00 13.39 C ATOM 1087 O THR A 149 14.262 1.317 17.998 1.00 14.11 O ATOM 1088 CB THR A 149 15.600 2.885 20.274 1.00 13.32 C ATOM 1089 OG1 THR A 149 15.480 4.008 21.177 1.00 15.60 O ATOM 1090 CG2 THR A 149 17.051 2.337 20.338 1.00 16.49 C ATOM 1091 N VAL A 150 16.195 1.958 17.056 1.00 11.13 N ATOM 1092 CA VAL A 150 16.303 0.793 16.183 1.00 9.36 C ATOM 1093 C VAL A 150 17.674 0.162 16.508 1.00 12.99 C ATOM 1094 O VAL A 150 18.714 0.775 16.258 1.00 12.61 O ATOM 1095 CB VAL A 150 16.240 1.204 14.716 1.00 12.78 C ATOM 1096 CG1 VAL A 150 16.526 0.026 13.781 1.00 13.27 C ATOM 1097 CG2 VAL A 150 14.895 1.935 14.389 1.00 11.86 C ATOM 1098 N ILE A 151 17.651 -1.074 17.020 1.00 10.82 N ATOM 1099 CA ILE A 151 18.885 -1.822 17.371 1.00 8.02 C ATOM 1100 C ILE A 151 18.997 -2.870 16.265 1.00 12.93 C ATOM 1101 O ILE A 151 18.026 -3.561 15.982 1.00 11.59 O ATOM 1102 CB ILE A 151 18.786 -2.511 18.746 1.00 10.96 C ATOM 1103 CG1 ILE A 151 18.303 -1.537 19.859 1.00 13.55 C ATOM 1104 CG2 ILE A 151 20.138 -3.145 19.080 1.00 14.77 C ATOM 1105 CD1 ILE A 151 19.237 -0.393 20.059 1.00 26.59 C ATOM 1106 N THR A 152 20.154 -2.966 15.607 1.00 11.15 N ATOM 1107 CA THR A 152 20.269 -3.905 14.498 1.00 9.43 C ATOM 1108 C THR A 152 21.609 -4.624 14.499 1.00 12.53 C ATOM 1109 O THR A 152 22.622 -4.057 14.914 1.00 11.74 O ATOM 1110 CB THR A 152 19.975 -3.164 13.155 1.00 11.67 C ATOM 1111 OG1 THR A 152 19.808 -4.108 12.086 1.00 15.67 O ATOM 1112 CG2 THR A 152 21.097 -2.189 12.848 1.00 11.33 C ATOM 1113 N LYS A 153 21.617 -5.845 13.970 1.00 11.48 N ATOM 1114 CA LYS A 153 22.833 -6.632 13.885 1.00 10.89 C ATOM 1115 C LYS A 153 22.811 -7.473 12.629 1.00 14.36 C ATOM 1116 O LYS A 153 21.865 -8.234 12.393 1.00 12.10 O ATOM 1117 CB LYS A 153 22.990 -7.516 15.118 1.00 13.18 C ATOM 1118 CG LYS A 153 24.187 -8.488 15.020 1.00 17.47 C ATOM 1119 CD LYS A 153 25.515 -7.786 15.119 1.00 17.07 C ATOM 1120 CE LYS A 153 26.701 -8.817 15.216 1.00 16.02 C ATOM 1121 NZ LYS A 153 26.959 -9.498 13.910 1.00 17.25 N ATOM 1122 N HIS A 154 23.782 -7.215 11.765 1.00 11.89 N ATOM 1123 CA HIS A 154 23.951 -7.940 10.503 1.00 11.26 C ATOM 1124 C HIS A 154 25.221 -8.808 10.633 1.00 15.53 C ATOM 1125 O HIS A 154 26.185 -8.385 11.268 1.00 13.86 O ATOM 1126 CB HIS A 154 24.199 -6.894 9.377 1.00 11.80 C ATOM 1127 CG HIS A 154 24.241 -7.481 7.998 1.00 14.89 C ATOM 1128 ND1 HIS A 154 23.191 -7.351 7.105 1.00 16.63 N ATOM 1129 CD2 HIS A 154 25.188 -8.208 7.364 1.00 16.63 C ATOM 1130 CE1 HIS A 154 23.511 -7.947 5.966 1.00 15.89 C ATOM 1131 NE2 HIS A 154 24.702 -8.501 6.107 1.00 17.52 N ATOM 1132 N ASN A 155 25.214 -9.980 9.997 1.00 12.78 N ATOM 1133 CA ASN A 155 26.390 -10.863 9.952 1.00 14.98 C ATOM 1134 C ASN A 155 27.593 -10.076 9.447 1.00 17.44 C ATOM 1135 O ASN A 155 27.476 -9.284 8.521 1.00 17.96 O ATOM 1136 CB ASN A 155 26.139 -12.039 8.992 1.00 15.92 C ATOM 1137 CG ASN A 155 25.154 -13.060 9.547 1.00 20.80 C ATOM 1138 OD1 ASN A 155 24.547 -13.832 8.792 1.00 22.39 O ATOM 1139 ND2 ASN A 155 24.976 -13.060 10.845 1.00 11.61 N ATOM 1140 N ASP A 156 28.765 -10.330 10.027 1.00 18.61 N ATOM 1141 CA ASP A 156 30.000 -9.670 9.573 1.00 20.40 C ATOM 1142 C ASP A 156 30.088 -8.195 9.930 1.00 25.25 C ATOM 1143 O ASP A 156 30.941 -7.475 9.391 1.00 25.59 O ATOM 1144 CB ASP A 156 30.200 -9.815 8.049 1.00 22.80 C ATOM 1145 CG ASP A 156 30.016 -11.257 7.553 1.00 40.04 C ATOM 1146 OD1 ASP A 156 30.550 -12.196 8.190 1.00 41.92 O ATOM 1147 OD2 ASP A 156 29.350 -11.440 6.506 1.00 46.30 O ATOM 1148 N ASP A 157 29.167 -7.702 10.758 1.00 19.00 N ATOM 1149 CA ASP A 157 29.233 -6.305 11.183 1.00 17.70 C ATOM 1150 C ASP A 157 28.933 -6.316 12.668 1.00 19.80 C ATOM 1151 O ASP A 157 28.531 -7.358 13.204 1.00 19.22 O ATOM 1152 CB ASP A 157 28.252 -5.410 10.401 1.00 18.43 C ATOM 1153 CG ASP A 157 28.641 -3.914 10.445 1.00 23.94 C ATOM 1154 OD1 ASP A 157 29.528 -3.544 11.244 1.00 22.12 O ATOM 1155 OD2 ASP A 157 28.106 -3.106 9.645 1.00 27.89 O ATOM 1156 N GLU A 158 29.171 -5.197 13.350 1.00 14.79 N ATOM 1157 CA GLU A 158 28.846 -5.119 14.782 1.00 15.66 C ATOM 1158 C GLU A 158 27.428 -4.587 14.979 1.00 17.37 C ATOM 1159 O GLU A 158 26.753 -4.166 14.009 1.00 19.28 O ATOM 1160 CB GLU A 158 29.857 -4.275 15.575 1.00 17.34 C ATOM 1161 CG GLU A 158 30.038 -2.900 15.036 1.00 22.20 C ATOM 1162 CD GLU A 158 31.236 -2.843 14.085 1.00 64.37 C ATOM 1163 OE1 GLU A 158 31.034 -3.030 12.866 1.00 61.89 O ATOM 1164 OE2 GLU A 158 32.391 -2.735 14.568 1.00 66.52 O ATOM 1165 N GLN A 159 26.951 -4.623 16.217 1.00 13.26 N ATOM 1166 CA GLN A 159 25.590 -4.172 16.466 1.00 10.81 C ATOM 1167 C GLN A 159 25.561 -2.660 16.592 1.00 14.62 C ATOM 1168 O GLN A 159 26.449 -2.050 17.220 1.00 14.70 O ATOM 1169 CB GLN A 159 25.051 -4.840 17.732 1.00 12.70 C ATOM 1170 CG GLN A 159 23.653 -4.422 18.113 1.00 12.09 C ATOM 1171 CD GLN A 159 23.103 -5.377 19.153 1.00 16.10 C ATOM 1172 OE1 GLN A 159 23.237 -6.575 18.977 1.00 20.10 O ATOM 1173 NE2 GLN A 159 22.662 -4.853 20.290 1.00 16.30 N ATOM 1174 N TYR A 160 24.506 -2.055 16.055 1.00 10.64 N ATOM 1175 CA TYR A 160 24.349 -0.607 16.120 1.00 12.11 C ATOM 1176 C TYR A 160 22.980 -0.257 16.665 1.00 15.54 C ATOM 1177 O TYR A 160 22.029 -1.051 16.592 1.00 13.61 O ATOM 1178 CB TYR A 160 24.390 -0.004 14.714 1.00 13.47 C ATOM 1179 CG TYR A 160 25.699 -0.225 14.020 1.00 14.40 C ATOM 1180 CD1 TYR A 160 26.791 0.554 14.345 1.00 15.22 C ATOM 1181 CD2 TYR A 160 25.834 -1.208 13.041 1.00 17.74 C ATOM 1182 CE1 TYR A 160 28.060 0.263 13.797 1.00 15.27 C ATOM 1183 CE2 TYR A 160 27.048 -1.446 12.432 1.00 18.77 C ATOM 1184 CZ TYR A 160 28.149 -0.710 12.819 1.00 25.01 C ATOM 1185 OH TYR A 160 29.327 -0.938 12.189 1.00 21.48 O ATOM 1186 N ALA A 161 22.873 0.958 17.178 1.00 12.83 N ATOM 1187 CA ALA A 161 21.589 1.458 17.678 1.00 13.47 C ATOM 1188 C ALA A 161 21.418 2.852 17.084 1.00 19.25 C ATOM 1189 O ALA A 161 22.223 3.757 17.365 1.00 17.65 O ATOM 1190 CB ALA A 161 21.585 1.585 19.196 1.00 15.03 C ATOM 1191 N TRP A 162 20.334 3.013 16.333 1.00 11.37 N ATOM 1192 CA TRP A 162 19.901 4.284 15.757 1.00 11.93 C ATOM 1193 C TRP A 162 18.822 4.843 16.695 1.00 13.43 C ATOM 1194 O TRP A 162 18.035 4.083 17.288 1.00 11.17 O ATOM 1195 CB TRP A 162 19.290 3.988 14.391 1.00 11.20 C ATOM 1196 CG TRP A 162 18.703 5.110 13.666 1.00 11.05 C ATOM 1197 CD1 TRP A 162 19.242 5.723 12.556 1.00 13.83 C ATOM 1198 CD2 TRP A 162 17.387 5.680 13.842 1.00 10.52 C ATOM 1199 NE1 TRP A 162 18.376 6.679 12.084 1.00 14.32 N ATOM 1200 CE2 TRP A 162 17.198 6.605 12.788 1.00 12.93 C ATOM 1201 CE3 TRP A 162 16.302 5.401 14.705 1.00 10.06 C ATOM 1202 CZ2 TRP A 162 16.005 7.324 12.624 1.00 11.88 C ATOM 1203 CZ3 TRP A 162 15.133 6.162 14.573 1.00 12.35 C ATOM 1204 CH2 TRP A 162 15.012 7.140 13.547 1.00 11.79 C ATOM 1205 N GLU A 163 18.775 6.159 16.857 1.00 11.67 N ATOM 1206 CA GLU A 163 17.795 6.726 17.782 1.00 12.38 C ATOM 1207 C GLU A 163 17.416 8.097 17.325 1.00 15.49 C ATOM 1208 O GLU A 163 18.273 8.848 16.871 1.00 11.72 O ATOM 1209 CB GLU A 163 18.349 6.851 19.207 1.00 14.22 C ATOM 1210 CG GLU A 163 17.330 7.185 20.274 1.00 29.05 C ATOM 1211 CD GLU A 163 17.881 6.902 21.679 1.00 59.51 C ATOM 1212 OE1 GLU A 163 18.266 5.745 21.953 1.00 52.14 O ATOM 1213 OE2 GLU A 163 17.979 7.843 22.492 1.00 59.10 O ATOM 1214 N SER A 164 16.136 8.444 17.479 1.00 13.22 N ATOM 1215 CA SER A 164 15.682 9.784 17.116 1.00 11.40 C ATOM 1216 C SER A 164 14.367 10.106 17.800 1.00 14.26 C ATOM 1217 O SER A 164 13.472 9.243 17.932 1.00 13.20 O ATOM 1218 CB SER A 164 15.493 9.944 15.617 1.00 15.08 C ATOM 1219 OG SER A 164 15.115 11.266 15.272 1.00 15.78 O ATOM 1220 N SER A 165 14.304 11.351 18.259 1.00 11.96 N ATOM 1221 CA SER A 165 13.077 11.927 18.795 1.00 11.46 C ATOM 1222 C SER A 165 12.638 13.013 17.810 1.00 15.25 C ATOM 1223 O SER A 165 11.981 13.969 18.193 1.00 14.99 O ATOM 1224 CB SER A 165 13.345 12.480 20.192 1.00 15.79 C ATOM 1225 OG SER A 165 13.647 11.383 21.063 1.00 19.56 O ATOM 1226 N ALA A 166 12.985 12.834 16.539 1.00 13.95 N ATOM 1227 CA ALA A 166 12.642 13.786 15.480 1.00 15.63 C ATOM 1228 C ALA A 166 13.359 15.104 15.720 1.00 19.13 C ATOM 1229 O ALA A 166 14.534 15.088 16.069 1.00 18.11 O ATOM 1230 CB ALA A 166 11.119 13.948 15.345 1.00 17.49 C ATOM 1231 N GLY A 167 12.726 16.249 15.472 1.00 16.84 N ATOM 1232 CA GLY A 167 13.489 17.471 15.695 1.00 16.41 C ATOM 1233 C GLY A 167 14.639 17.669 14.706 1.00 18.82 C ATOM 1234 O GLY A 167 15.529 18.494 14.925 1.00 17.35 O ATOM 1235 N GLY A 168 14.651 16.883 13.633 1.00 13.54 N ATOM 1236 CA GLY A 168 15.651 16.999 12.596 1.00 13.89 C ATOM 1237 C GLY A 168 16.979 16.266 12.797 1.00 12.82 C ATOM 1238 O GLY A 168 17.846 16.376 11.952 1.00 12.72 O ATOM 1239 N SER A 169 17.075 15.445 13.835 1.00 10.91 N ATOM 1240 CA SER A 169 18.352 14.825 14.171 1.00 12.20 C ATOM 1241 C SER A 169 18.165 13.386 14.541 1.00 13.25 C ATOM 1242 O SER A 169 17.108 13.008 15.032 1.00 13.37 O ATOM 1243 CB SER A 169 18.847 15.560 15.439 1.00 16.78 C ATOM 1244 OG SER A 169 20.116 15.145 15.848 1.00 31.62 O ATOM 1245 N PHE A 170 19.219 12.591 14.367 1.00 10.86 N ATOM 1246 CA PHE A 170 19.200 11.192 14.786 1.00 10.19 C ATOM 1247 C PHE A 170 20.630 10.818 15.102 1.00 11.39 C ATOM 1248 O PHE A 170 21.552 11.493 14.668 1.00 14.01 O ATOM 1249 CB PHE A 170 18.623 10.247 13.731 1.00 10.88 C ATOM 1250 CG PHE A 170 19.433 10.138 12.473 1.00 10.56 C ATOM 1251 CD1 PHE A 170 19.172 10.966 11.408 1.00 14.72 C ATOM 1252 CD2 PHE A 170 20.323 9.079 12.293 1.00 12.47 C ATOM 1253 CE1 PHE A 170 19.816 10.774 10.189 1.00 16.09 C ATOM 1254 CE2 PHE A 170 21.011 8.912 11.091 1.00 16.01 C ATOM 1255 CZ PHE A 170 20.711 9.737 10.029 1.00 15.75 C ATOM 1256 N THR A 171 20.817 9.794 15.908 1.00 9.71 N ATOM 1257 CA THR A 171 22.187 9.360 16.191 1.00 10.28 C ATOM 1258 C THR A 171 22.333 7.891 15.783 1.00 15.01 C ATOM 1259 O THR A 171 21.346 7.142 15.780 1.00 14.09 O ATOM 1260 CB THR A 171 22.552 9.513 17.660 1.00 15.34 C ATOM 1261 OG1 THR A 171 21.593 8.808 18.485 1.00 17.97 O ATOM 1262 CG2 THR A 171 22.602 10.995 18.087 1.00 15.25 C ATOM 1263 N VAL A 172 23.576 7.489 15.493 1.00 10.97 N ATOM 1264 CA VAL A 172 23.908 6.084 15.253 1.00 11.54 C ATOM 1265 C VAL A 172 25.057 5.738 16.194 1.00 14.86 C ATOM 1266 O VAL A 172 26.114 6.379 16.165 1.00 13.16 O ATOM 1267 CB VAL A 172 24.309 5.800 13.792 1.00 14.21 C ATOM 1268 CG1 VAL A 172 24.794 4.360 13.661 1.00 16.23 C ATOM 1269 CG2 VAL A 172 23.092 5.973 12.881 1.00 14.59 C ATOM 1270 N ARG A 173 24.811 4.804 17.101 1.00 13.57 N ATOM 1271 CA ARG A 173 25.876 4.408 18.006 1.00 15.72 C ATOM 1272 C ARG A 173 26.254 2.926 17.929 1.00 21.12 C ATOM 1273 O ARG A 173 25.459 2.063 17.537 1.00 17.34 O ATOM 1274 CB ARG A 173 25.559 4.822 19.419 1.00 20.63 C ATOM 1275 CG ARG A 173 24.378 4.167 20.013 1.00 32.56 C ATOM 1276 CD ARG A 173 24.228 4.571 21.476 1.00 46.33 C ATOM 1277 NE ARG A 173 22.987 4.049 22.024 1.00 50.58 N ATOM 1278 CZ ARG A 173 22.843 2.821 22.504 1.00 61.69 C ATOM 1279 NH1 ARG A 173 23.883 1.992 22.539 1.00 47.08 N ATOM 1280 NH2 ARG A 173 21.661 2.430 22.956 1.00 43.55 N ATOM 1281 N THR A 174 27.504 2.626 18.252 1.00 18.97 N ATOM 1282 C THR A 174 27.340 0.746 19.595 1.00 27.91 C ATOM 1283 O THR A 174 27.495 1.396 20.641 1.00 30.64 O ATOM 1284 CA ATHR A 174 27.930 1.239 18.289 0.50 20.89 C ATOM 1285 CB ATHR A 174 29.451 1.145 18.255 0.50 30.49 C ATOM 1286 OG1ATHR A 174 29.983 1.844 19.388 0.50 32.39 O ATOM 1287 CG2ATHR A 174 29.955 1.788 16.984 0.50 27.98 C ATOM 1288 CA BTHR A 174 27.922 1.239 18.282 0.50 20.28 C ATOM 1289 CB BTHR A 174 29.448 1.147 18.140 0.50 22.67 C ATOM 1290 OG1BTHR A 174 29.799 1.747 16.895 0.50 18.44 O ATOM 1291 CG2BTHR A 174 29.939 -0.297 18.166 0.50 22.18 C ATOM 1292 N ASP A 175 26.529 -0.300 19.515 1.00 24.78 N ATOM 1293 CA ASP A 175 25.786 -0.788 20.670 1.00 25.37 C ATOM 1294 C ASP A 175 26.489 -1.941 21.345 1.00 35.76 C ATOM 1295 O ASP A 175 26.680 -2.988 20.744 1.00 37.08 O ATOM 1296 CB ASP A 175 24.387 -1.241 20.203 1.00 25.45 C ATOM 1297 CG ASP A 175 23.424 -1.537 21.355 1.00 30.54 C ATOM 1298 OD1 ASP A 175 23.534 -0.917 22.438 1.00 37.05 O ATOM 1299 OD2 ASP A 175 22.443 -2.262 21.119 1.00 31.49 O ATOM 1300 N THR A 176 26.825 -1.769 22.610 1.00 35.17 N ATOM 1301 CA THR A 176 27.438 -2.871 23.349 1.00 36.91 C ATOM 1302 C THR A 176 26.477 -3.421 24.406 1.00 43.75 C ATOM 1303 O THR A 176 26.864 -4.189 25.279 1.00 43.90 O ATOM 1304 CB THR A 176 28.856 -2.535 23.868 1.00 41.30 C ATOM 1305 OG1 THR A 176 28.875 -1.207 24.405 1.00 43.22 O ATOM 1306 CG2 THR A 176 29.860 -2.620 22.727 1.00 41.27 C ATOM 1307 N GLY A 177 25.200 -3.080 24.259 1.00 42.65 N ATOM 1308 CA GLY A 177 24.148 -3.549 25.149 1.00 42.83 C ATOM 1309 C GLY A 177 23.636 -4.948 24.813 1.00 44.68 C ATOM 1310 O GLY A 177 24.377 -5.780 24.301 1.00 45.53 O ATOM 1311 N GLU A 178 22.370 -5.208 25.133 1.00 37.81 N ATOM 1312 CA GLU A 178 21.744 -6.496 24.857 1.00 35.41 C ATOM 1313 C GLU A 178 22.000 -6.927 23.420 1.00 30.40 C ATOM 1314 O GLU A 178 21.429 -6.355 22.494 1.00 27.76 O ATOM 1315 CB GLU A 178 20.236 -6.396 25.082 1.00 36.92 C ATOM 1316 CG GLU A 178 19.453 -7.641 24.662 1.00 49.72 C ATOM 1317 CD GLU A 178 17.959 -7.447 24.821 1.00 74.52 C ATOM 1318 OE1 GLU A 178 17.565 -6.608 25.664 1.00 57.75 O ATOM 1319 OE2 GLU A 178 17.185 -8.115 24.097 1.00 73.40 O ATOM 1320 N PRO A 179 22.861 -7.931 23.223 1.00 26.11 N ATOM 1321 CA PRO A 179 23.220 -8.458 21.902 1.00 24.95 C ATOM 1322 C PRO A 179 22.054 -9.216 21.316 1.00 26.46 C ATOM 1323 O PRO A 179 21.440 -10.057 21.982 1.00 25.47 O ATOM 1324 CB PRO A 179 24.357 -9.437 22.197 1.00 27.27 C ATOM 1325 CG PRO A 179 24.150 -9.826 23.598 1.00 32.11 C ATOM 1326 CD PRO A 179 23.679 -8.557 24.275 1.00 28.29 C ATOM 1327 N MET A 180 21.776 -8.942 20.057 1.00 22.39 N ATOM 1328 CA MET A 180 20.672 -9.615 19.397 1.00 22.53 C ATOM 1329 C MET A 180 20.980 -10.778 18.517 1.00 22.18 C ATOM 1330 O MET A 180 20.058 -11.384 18.005 1.00 22.35 O ATOM 1331 CB MET A 180 19.765 -8.671 18.642 1.00 26.74 C ATOM 1332 CG MET A 180 20.428 -7.843 17.628 1.00 33.25 C ATOM 1333 SD MET A 180 19.450 -6.359 17.824 1.00 40.91 S ATOM 1334 CE MET A 180 18.436 -6.904 19.232 1.00 36.26 C ATOM 1335 N GLY A 181 22.247 -11.055 18.268 1.00 16.48 N ATOM 1336 CA GLY A 181 22.567 -12.232 17.445 1.00 14.96 C ATOM 1337 C GLY A 181 22.553 -11.815 16.014 1.00 13.74 C ATOM 1338 O GLY A 181 23.590 -11.727 15.346 1.00 14.41 O ATOM 1339 N ARG A 182 21.341 -11.584 15.517 1.00 11.75 N ATOM 1340 CA ARG A 182 21.171 -11.092 14.169 1.00 11.19 C ATOM 1341 C ARG A 182 19.722 -10.641 14.064 1.00 14.68 C ATOM 1342 O ARG A 182 18.821 -11.333 14.542 1.00 14.24 O ATOM 1343 CB ARG A 182 21.373 -12.184 13.126 1.00 12.16 C ATOM 1344 CG ARG A 182 21.266 -11.666 11.665 1.00 13.40 C ATOM 1345 CD ARG A 182 21.039 -12.806 10.651 1.00 15.19 C ATOM 1346 NE ARG A 182 19.755 -13.469 10.873 1.00 13.26 N ATOM 1347 CZ ARG A 182 19.639 -14.698 11.351 1.00 17.83 C ATOM 1348 NH1 ARG A 182 20.759 -15.397 11.627 1.00 12.56 N ATOM 1349 NH2 ARG A 182 18.433 -15.204 11.599 1.00 13.08 N ATOM 1350 N GLY A 183 19.516 -9.524 13.387 1.00 10.72 N ATOM 1351 CA GLY A 183 18.171 -9.004 13.156 1.00 9.64 C ATOM 1352 C GLY A 183 18.009 -7.543 13.558 1.00 14.27 C ATOM 1353 O GLY A 183 18.979 -6.831 13.760 1.00 12.90 O ATOM 1354 N THR A 184 16.759 -7.113 13.709 1.00 11.02 N ATOM 1355 CA THR A 184 16.473 -5.740 14.100 1.00 11.91 C ATOM 1356 C THR A 184 15.408 -5.749 15.194 1.00 14.39 C ATOM 1357 O THR A 184 14.465 -6.573 15.173 1.00 14.83 O ATOM 1358 CB THR A 184 16.032 -4.981 12.827 1.00 17.15 C ATOM 1359 OG1 THR A 184 17.160 -4.897 11.941 1.00 15.54 O ATOM 1360 CG2 THR A 184 15.422 -3.578 13.124 1.00 15.26 C ATOM 1361 N LYS A 185 15.508 -4.770 16.093 1.00 11.62 N ATOM 1362 CA LYS A 185 14.525 -4.583 17.152 1.00 11.80 C ATOM 1363 C LYS A 185 14.159 -3.101 17.087 1.00 14.72 C ATOM 1364 O LYS A 185 15.055 -2.257 17.093 1.00 14.26 O ATOM 1365 CB LYS A 185 15.198 -4.824 18.521 1.00 15.58 C ATOM 1366 CG LYS A 185 14.291 -4.495 19.719 1.00 20.08 C ATOM 1367 CD LYS A 185 15.077 -4.402 21.041 1.00 29.05 C ATOM 1368 CE LYS A 185 15.663 -5.713 21.485 1.00 38.90 C ATOM 1369 NZ LYS A 185 16.379 -5.537 22.793 1.00 41.49 N ATOM 1370 N VAL A 186 12.868 -2.790 16.941 1.00 9.98 N ATOM 1371 CA VAL A 186 12.389 -1.402 16.912 1.00 9.77 C ATOM 1372 C VAL A 186 11.634 -1.127 18.221 1.00 13.80 C ATOM 1373 O VAL A 186 10.650 -1.798 18.522 1.00 11.77 O ATOM 1374 CB VAL A 186 11.492 -1.103 15.694 1.00 13.70 C ATOM 1375 CG1 VAL A 186 11.150 0.395 15.661 1.00 14.03 C ATOM 1376 CG2 VAL A 186 12.244 -1.474 14.419 1.00 13.43 C ATOM 1377 N ILE A 187 12.084 -0.119 18.963 1.00 9.56 N ATOM 1378 CA ILE A 187 11.462 0.218 20.250 1.00 10.18 C ATOM 1379 C ILE A 187 10.732 1.545 20.089 1.00 12.80 C ATOM 1380 O ILE A 187 11.363 2.567 19.831 1.00 12.18 O ATOM 1381 CB ILE A 187 12.518 0.361 21.376 1.00 14.46 C ATOM 1382 CG1 ILE A 187 13.391 -0.892 21.509 1.00 16.20 C ATOM 1383 CG2 ILE A 187 11.816 0.717 22.711 1.00 15.41 C ATOM 1384 CD1 ILE A 187 14.597 -0.681 22.431 1.00 18.17 C ATOM 1385 N LEU A 188 9.408 1.500 20.199 1.00 9.99 N ATOM 1386 CA LEU A 188 8.595 2.687 20.101 1.00 11.19 C ATOM 1387 C LEU A 188 8.248 3.216 21.476 1.00 12.93 C ATOM 1388 O LEU A 188 7.599 2.503 22.277 1.00 13.10 O ATOM 1389 CB LEU A 188 7.283 2.362 19.389 1.00 11.44 C ATOM 1390 CG LEU A 188 7.469 1.628 18.035 1.00 18.33 C ATOM 1391 CD1 LEU A 188 6.100 1.276 17.461 1.00 19.95 C ATOM 1392 CD2 LEU A 188 8.255 2.474 17.065 1.00 20.56 C ATOM 1393 N HIS A 189 8.689 4.435 21.793 1.00 11.90 N ATOM 1394 CA HIS A 189 8.280 5.063 23.079 1.00 12.15 C ATOM 1395 C HIS A 189 7.002 5.820 22.758 1.00 13.55 C ATOM 1396 O HIS A 189 7.036 6.899 22.144 1.00 15.07 O ATOM 1397 CB HIS A 189 9.327 6.036 23.562 1.00 15.69 C ATOM 1398 CG HIS A 189 10.541 5.352 24.085 1.00 20.60 C ATOM 1399 ND1 HIS A 189 11.507 4.825 23.258 1.00 23.00 N ATOM 1400 CD2 HIS A 189 10.849 4.939 25.336 1.00 23.56 C ATOM 1401 CE1 HIS A 189 12.412 4.195 23.990 1.00 22.11 C ATOM 1402 NE2 HIS A 189 12.033 4.249 25.251 1.00 23.80 N ATOM 1403 N LEU A 190 5.866 5.229 23.106 1.00 12.26 N ATOM 1404 CA LEU A 190 4.579 5.752 22.655 1.00 9.80 C ATOM 1405 C LEU A 190 4.216 7.081 23.313 1.00 15.45 C ATOM 1406 O LEU A 190 4.558 7.315 24.469 1.00 14.07 O ATOM 1407 CB LEU A 190 3.464 4.762 22.963 1.00 9.61 C ATOM 1408 CG LEU A 190 3.567 3.431 22.190 1.00 14.06 C ATOM 1409 CD1 LEU A 190 2.407 2.543 22.607 1.00 13.71 C ATOM 1410 CD2 LEU A 190 3.565 3.655 20.688 1.00 13.74 C ATOM 1411 N LYS A 191 3.526 7.918 22.538 1.00 13.16 N ATOM 1412 CA LYS A 191 3.006 9.183 23.033 1.00 12.86 C ATOM 1413 C LYS A 191 1.868 8.872 24.007 1.00 17.27 C ATOM 1414 O LYS A 191 1.236 7.817 23.950 1.00 15.21 O ATOM 1415 CB LYS A 191 2.402 9.976 21.872 1.00 16.38 C ATOM 1416 CG LYS A 191 3.420 10.589 20.929 1.00 18.52 C ATOM 1417 CD LYS A 191 2.707 11.139 19.697 1.00 20.57 C ATOM 1418 CE LYS A 191 3.681 11.250 18.534 1.00 32.63 C ATOM 1419 NZ LYS A 191 3.073 11.888 17.344 1.00 35.23 N ATOM 1420 N GLU A 192 1.581 9.834 24.881 1.00 15.59 N ATOM 1421 CA GLU A 192 0.531 9.655 25.883 1.00 17.21 C ATOM 1422 C GLU A 192 -0.847 9.370 25.302 1.00 18.27 C ATOM 1423 O GLU A 192 -1.639 8.653 25.924 1.00 20.29 O ATOM 1424 CB GLU A 192 0.445 10.886 26.772 1.00 20.83 C ATOM 1425 CG GLU A 192 -0.577 10.718 27.903 1.00 35.16 C ATOM 1426 CD GLU A 192 -0.219 11.514 29.145 1.00 66.81 C ATOM 1427 OE1 GLU A 192 -0.733 11.166 30.235 1.00 68.80 O ATOM 1428 OE2 GLU A 192 0.583 12.473 29.032 1.00 62.00 O ATOM 1429 N ASP A 193 -1.149 9.965 24.154 1.00 15.57 N ATOM 1430 CA ASP A 193 -2.459 9.720 23.514 1.00 16.98 C ATOM 1431 C ASP A 193 -2.450 8.510 22.563 1.00 20.46 C ATOM 1432 O ASP A 193 -3.363 8.320 21.785 1.00 20.65 O ATOM 1433 CB ASP A 193 -3.005 10.970 22.802 1.00 18.85 C ATOM 1434 CG ASP A 193 -2.104 11.475 21.683 1.00 28.51 C ATOM 1435 OD1 ASP A 193 -1.028 10.901 21.466 1.00 30.96 O ATOM 1436 OD2 ASP A 193 -2.481 12.465 21.013 1.00 36.37 O ATOM 1437 N GLN A 194 -1.415 7.681 22.658 1.00 16.16 N ATOM 1438 CA GLN A 194 -1.305 6.494 21.796 1.00 14.09 C ATOM 1439 C GLN A 194 -1.038 5.190 22.571 1.00 17.70 C ATOM 1440 O GLN A 194 -0.648 4.179 21.981 1.00 16.07 O ATOM 1441 CB GLN A 194 -0.262 6.713 20.674 1.00 15.97 C ATOM 1442 CG GLN A 194 -0.412 8.023 19.871 1.00 15.59 C ATOM 1443 CD GLN A 194 -1.704 8.122 19.031 1.00 31.44 C ATOM 1444 OE1 GLN A 194 -2.202 9.224 18.774 1.00 26.16 O ATOM 1445 NE2 GLN A 194 -2.203 6.992 18.557 1.00 23.70 N ATOM 1446 N THR A 195 -1.305 5.197 23.871 1.00 14.84 N ATOM 1447 CA THR A 195 -1.141 4.009 24.718 1.00 14.83 C ATOM 1448 C THR A 195 -2.087 2.855 24.385 1.00 18.83 C ATOM 1449 O THR A 195 -1.944 1.744 24.931 1.00 19.72 O ATOM 1450 CB THR A 195 -1.207 4.378 26.220 1.00 26.21 C ATOM 1451 OG1 THR A 195 -2.358 5.197 26.458 1.00 27.55 O ATOM 1452 CG2 THR A 195 0.034 5.110 26.653 1.00 23.73 C ATOM 1453 N GLU A 196 -3.086 3.106 23.535 1.00 15.81 N ATOM 1454 CA GLU A 196 -3.996 2.035 23.127 1.00 16.60 C ATOM 1455 C GLU A 196 -3.201 0.889 22.489 1.00 16.75 C ATOM 1456 O GLU A 196 -3.592 -0.282 22.546 1.00 16.44 O ATOM 1457 CB GLU A 196 -4.996 2.553 22.106 1.00 18.38 C ATOM 1458 CG GLU A 196 -4.321 3.056 20.803 1.00 25.17 C ATOM 1459 CD GLU A 196 -5.318 3.585 19.799 1.00 48.78 C ATOM 1460 OE1 GLU A 196 -5.315 4.818 19.566 1.00 44.29 O ATOM 1461 OE2 GLU A 196 -6.122 2.767 19.276 1.00 35.31 O ATOM 1462 N TYR A 197 -2.051 1.226 21.898 1.00 14.35 N ATOM 1463 CA TYR A 197 -1.228 0.204 21.256 1.00 12.84 C ATOM 1464 C TYR A 197 -0.437 -0.694 22.208 1.00 17.06 C ATOM 1465 O TYR A 197 0.333 -1.541 21.754 1.00 18.37 O ATOM 1466 CB TYR A 197 -0.339 0.813 20.156 1.00 14.16 C ATOM 1467 CG TYR A 197 -1.166 1.488 19.097 1.00 14.46 C ATOM 1468 CD1 TYR A 197 -2.084 0.756 18.326 1.00 15.69 C ATOM 1469 CD2 TYR A 197 -1.151 2.882 18.952 1.00 15.34 C ATOM 1470 CE1 TYR A 197 -2.901 1.381 17.398 1.00 17.17 C ATOM 1471 CE2 TYR A 197 -1.987 3.521 18.013 1.00 16.05 C ATOM 1472 CZ TYR A 197 -2.866 2.766 17.261 1.00 23.66 C ATOM 1473 OH TYR A 197 -3.708 3.389 16.373 1.00 22.92 O ATOM 1474 N LEU A 198 -0.624 -0.505 23.512 1.00 14.68 N ATOM 1475 CA LEU A 198 -0.036 -1.367 24.514 1.00 16.02 C ATOM 1476 C LEU A 198 -1.002 -2.487 24.888 1.00 17.98 C ATOM 1477 O LEU A 198 -0.633 -3.377 25.648 1.00 17.44 O ATOM 1478 CB LEU A 198 0.294 -0.583 25.798 1.00 16.86 C ATOM 1479 CG LEU A 198 1.388 0.490 25.712 1.00 19.02 C ATOM 1480 CD1 LEU A 198 1.426 1.407 26.958 1.00 18.97 C ATOM 1481 CD2 LEU A 198 2.728 -0.151 25.411 1.00 20.65 C ATOM 1482 N GLU A 199 -2.257 -2.409 24.425 1.00 14.64 N ATOM 1483 CA GLU A 199 -3.275 -3.385 24.818 1.00 15.47 C ATOM 1484 C GLU A 199 -3.294 -4.611 23.904 1.00 19.64 C ATOM 1485 O GLU A 199 -3.346 -4.475 22.690 1.00 19.40 O ATOM 1486 CB GLU A 199 -4.645 -2.712 24.789 1.00 17.31 C ATOM 1487 CG GLU A 199 -4.801 -1.602 25.841 1.00 23.38 C ATOM 1488 CD GLU A 199 -4.478 -2.082 27.250 1.00 46.43 C ATOM 1489 OE1 GLU A 199 -4.957 -3.168 27.648 1.00 50.76 O ATOM 1490 OE2 GLU A 199 -3.749 -1.367 27.968 1.00 43.48 O ATOM 1491 N GLU A 200 -3.288 -5.811 24.495 1.00 16.66 N ATOM 1492 CA GLU A 200 -3.314 -7.043 23.703 1.00 15.49 C ATOM 1493 C GLU A 200 -4.514 -7.030 22.760 1.00 19.07 C ATOM 1494 O GLU A 200 -4.431 -7.448 21.610 1.00 17.34 O ATOM 1495 CB GLU A 200 -3.489 -8.263 24.627 1.00 16.98 C ATOM 1496 CG GLU A 200 -3.790 -9.542 23.840 1.00 23.88 C ATOM 1497 CD GLU A 200 -3.839 -10.765 24.728 1.00 40.04 C ATOM 1498 OE1 GLU A 200 -3.524 -10.629 25.930 1.00 26.58 O ATOM 1499 OE2 GLU A 200 -4.207 -11.852 24.231 1.00 43.01 O ATOM 1500 N ARG A 201 -5.668 -6.618 23.271 1.00 16.39 N ATOM 1501 CA ARG A 201 -6.835 -6.591 22.425 1.00 17.81 C ATOM 1502 C ARG A 201 -6.635 -5.775 21.142 1.00 20.39 C ATOM 1503 O ARG A 201 -7.027 -6.191 20.037 1.00 19.77 O ATOM 1504 CB ARG A 201 -8.032 -6.059 23.207 1.00 19.13 C ATOM 1505 CG ARG A 201 -9.056 -5.409 22.320 1.00 39.35 C ATOM 1506 CD ARG A 201 -10.284 -6.264 22.126 1.00 53.74 C ATOM 1507 NE ARG A 201 -11.496 -5.474 22.355 1.00 64.57 N ATOM 1508 CZ ARG A 201 -12.695 -5.767 21.857 1.00 77.10 C ATOM 1509 NH1 ARG A 201 -12.853 -6.822 21.068 1.00 59.26 N ATOM 1510 NH2 ARG A 201 -13.736 -4.987 22.128 1.00 65.67 N ATOM 1511 N ARG A 202 -6.018 -4.612 21.291 1.00 15.33 N ATOM 1512 CA ARG A 202 -5.836 -3.722 20.143 1.00 16.00 C ATOM 1513 C ARG A 202 -4.787 -4.297 19.179 1.00 18.25 C ATOM 1514 O ARG A 202 -5.019 -4.394 17.977 1.00 19.46 O ATOM 1515 CB ARG A 202 -5.466 -2.340 20.667 1.00 19.33 C ATOM 1516 CG ARG A 202 -5.335 -1.280 19.617 1.00 22.52 C ATOM 1517 CD ARG A 202 -6.662 -0.853 19.057 1.00 27.77 C ATOM 1518 NE ARG A 202 -6.477 0.321 18.217 1.00 33.41 N ATOM 1519 CZ ARG A 202 -6.875 0.408 16.959 1.00 44.09 C ATOM 1520 NH1 ARG A 202 -7.539 -0.604 16.423 1.00 39.48 N ATOM 1521 NH2 ARG A 202 -6.635 1.521 16.256 1.00 28.53 N ATOM 1522 N ILE A 203 -3.630 -4.661 19.704 1.00 13.43 N ATOM 1523 CA ILE A 203 -2.593 -5.286 18.884 1.00 13.49 C ATOM 1524 C ILE A 203 -3.166 -6.460 18.071 1.00 17.33 C ATOM 1525 O ILE A 203 -2.966 -6.531 16.865 1.00 17.35 O ATOM 1526 CB ILE A 203 -1.424 -5.764 19.757 1.00 15.68 C ATOM 1527 CG1 ILE A 203 -0.739 -4.554 20.433 1.00 15.64 C ATOM 1528 CG2 ILE A 203 -0.457 -6.606 18.912 1.00 17.07 C ATOM 1529 CD1 ILE A 203 0.169 -4.892 21.562 1.00 19.23 C ATOM 1530 N LYS A 204 -3.857 -7.400 18.718 1.00 15.83 N ATOM 1531 CA LYS A 204 -4.442 -8.525 17.966 1.00 16.68 C ATOM 1532 C LYS A 204 -5.347 -8.071 16.837 1.00 17.52 C ATOM 1533 O LYS A 204 -5.327 -8.620 15.744 1.00 15.82 O ATOM 1534 CB LYS A 204 -5.198 -9.484 18.893 1.00 18.43 C ATOM 1535 CG LYS A 204 -4.274 -10.130 19.886 1.00 25.88 C ATOM 1536 CD LYS A 204 -4.839 -11.424 20.422 1.00 40.02 C ATOM 1537 CE LYS A 204 -5.944 -11.174 21.377 1.00 52.23 C ATOM 1538 NZ LYS A 204 -6.282 -12.439 22.093 1.00 64.68 N ATOM 1539 N GLU A 205 -6.198 -7.098 17.143 1.00 16.79 N ATOM 1540 CA GLU A 205 -7.124 -6.527 16.170 1.00 18.01 C ATOM 1541 C GLU A 205 -6.354 -5.978 14.960 1.00 21.22 C ATOM 1542 O GLU A 205 -6.698 -6.270 13.826 1.00 18.16 O ATOM 1543 CB GLU A 205 -7.908 -5.370 16.801 1.00 20.68 C ATOM 1544 CG GLU A 205 -9.006 -5.793 17.761 1.00 36.70 C ATOM 1545 CD GLU A 205 -9.728 -4.607 18.396 1.00 61.63 C ATOM 1546 OE1 GLU A 205 -9.227 -3.458 18.294 1.00 36.09 O ATOM 1547 OE2 GLU A 205 -10.800 -4.831 19.007 1.00 60.25 O ATOM 1548 N ILE A 206 -5.310 -5.182 15.205 1.00 16.34 N ATOM 1549 CA ILE A 206 -4.594 -4.580 14.075 1.00 14.81 C ATOM 1550 C ILE A 206 -3.758 -5.577 13.274 1.00 16.65 C ATOM 1551 O ILE A 206 -3.601 -5.437 12.076 1.00 18.87 O ATOM 1552 CB ILE A 206 -3.845 -3.285 14.439 1.00 19.26 C ATOM 1553 CG1 ILE A 206 -2.687 -3.544 15.358 1.00 21.29 C ATOM 1554 CG2 ILE A 206 -4.797 -2.296 15.082 1.00 20.09 C ATOM 1555 CD1 ILE A 206 -1.925 -2.249 15.707 1.00 28.31 C ATOM 1556 N VAL A 207 -3.257 -6.607 13.930 1.00 14.03 N ATOM 1557 CA VAL A 207 -2.471 -7.600 13.202 1.00 15.79 C ATOM 1558 C VAL A 207 -3.390 -8.388 12.295 1.00 21.02 C ATOM 1559 O VAL A 207 -3.098 -8.591 11.105 1.00 21.15 O ATOM 1560 CB VAL A 207 -1.705 -8.490 14.174 1.00 19.79 C ATOM 1561 CG1 VAL A 207 -1.142 -9.726 13.437 1.00 19.63 C ATOM 1562 CG2 VAL A 207 -0.610 -7.660 14.824 1.00 18.88 C ATOM 1563 N LYS A 208 -4.525 -8.803 12.844 1.00 19.22 N ATOM 1564 CA LYS A 208 -5.520 -9.529 12.043 1.00 17.73 C ATOM 1565 C LYS A 208 -5.992 -8.692 10.854 1.00 20.72 C ATOM 1566 O LYS A 208 -6.195 -9.210 9.743 1.00 22.33 O ATOM 1567 CB LYS A 208 -6.741 -9.854 12.915 1.00 19.78 C ATOM 1568 CG LYS A 208 -6.443 -10.822 14.047 1.00 43.56 C ATOM 1569 CD LYS A 208 -5.556 -11.965 13.563 1.00 57.06 C ATOM 1570 CE LYS A 208 -5.763 -13.241 14.382 1.00 70.96 C ATOM 1571 NZ LYS A 208 -6.955 -14.029 13.938 1.00 77.10 N ATOM 1572 N LYS A 209 -6.233 -7.403 11.095 1.00 18.68 N ATOM 1573 CA LYS A 209 -6.755 -6.533 10.057 1.00 17.93 C ATOM 1574 C LYS A 209 -5.770 -6.209 8.935 1.00 22.24 C ATOM 1575 O LYS A 209 -6.125 -6.216 7.759 1.00 22.65 O ATOM 1576 CB LYS A 209 -7.324 -5.225 10.651 1.00 18.82 C ATOM 1577 CG LYS A 209 -8.033 -4.388 9.605 1.00 28.67 C ATOM 1578 CD LYS A 209 -8.077 -2.901 9.938 1.00 36.57 C ATOM 1579 CE LYS A 209 -9.103 -2.560 10.973 1.00 44.44 C ATOM 1580 NZ LYS A 209 -9.579 -1.141 10.776 1.00 37.71 N ATOM 1581 N HIS A 210 -4.530 -5.917 9.303 1.00 17.96 N ATOM 1582 CA HIS A 210 -3.566 -5.390 8.325 1.00 17.77 C ATOM 1583 C HIS A 210 -2.407 -6.277 7.937 1.00 21.70 C ATOM 1584 O HIS A 210 -1.726 -6.001 6.942 1.00 21.48 O ATOM 1585 CB HIS A 210 -3.006 -4.069 8.868 1.00 18.14 C ATOM 1586 CG HIS A 210 -4.006 -2.961 8.894 1.00 21.47 C ATOM 1587 ND1 HIS A 210 -4.593 -2.503 10.059 1.00 23.34 N ATOM 1588 CD2 HIS A 210 -4.549 -2.238 7.888 1.00 21.71 C ATOM 1589 CE1 HIS A 210 -5.449 -1.540 9.761 1.00 22.35 C ATOM 1590 NE2 HIS A 210 -5.422 -1.344 8.453 1.00 23.24 N ATOM 1591 N SER A 211 -2.098 -7.241 8.794 1.00 17.87 N ATOM 1592 CA SER A 211 -0.921 -8.067 8.587 1.00 19.27 C ATOM 1593 C SER A 211 -1.146 -9.592 8.616 1.00 26.64 C ATOM 1594 O SER A 211 -0.448 -10.332 9.309 1.00 26.39 O ATOM 1595 CB SER A 211 0.158 -7.629 9.576 1.00 22.90 C ATOM 1596 OG SER A 211 0.217 -8.511 10.671 1.00 44.82 O ATOM 1597 N GLN A 212 -2.108 -10.057 7.818 1.00 27.54 N ATOM 1598 CA GLN A 212 -2.413 -11.478 7.721 1.00 27.35 C ATOM 1599 C GLN A 212 -1.381 -12.225 6.894 1.00 30.21 C ATOM 1600 O GLN A 212 -0.643 -11.646 6.080 1.00 30.72 O ATOM 1601 CB GLN A 212 -3.808 -11.699 7.108 1.00 29.50 C ATOM 1602 CG GLN A 212 -4.905 -10.827 7.671 1.00 34.59 C ATOM 1603 CD GLN A 212 -6.242 -11.081 6.981 1.00 52.52 C ATOM 1604 OE1 GLN A 212 -6.342 -11.945 6.114 1.00 49.14 O ATOM 1605 NE2 GLN A 212 -7.262 -10.311 7.344 1.00 38.25 N ATOM 1606 N PHE A 213 -1.348 -13.535 7.078 1.00 27.06 N ATOM 1607 CA PHE A 213 -0.449 -14.404 6.329 1.00 26.81 C ATOM 1608 C PHE A 213 0.985 -13.884 6.173 1.00 30.62 C ATOM 1609 O PHE A 213 1.551 -13.897 5.072 1.00 28.56 O ATOM 1610 CB PHE A 213 -1.058 -14.796 4.993 1.00 28.26 C ATOM 1611 CG PHE A 213 -2.468 -15.307 5.112 1.00 30.29 C ATOM 1612 CD1 PHE A 213 -2.714 -16.614 5.520 1.00 33.98 C ATOM 1613 CD2 PHE A 213 -3.546 -14.459 4.909 1.00 31.99 C ATOM 1614 CE1 PHE A 213 -4.017 -17.066 5.705 1.00 35.59 C ATOM 1615 CE2 PHE A 213 -4.863 -14.906 5.077 1.00 35.48 C ATOM 1616 CZ PHE A 213 -5.092 -16.209 5.474 1.00 34.10 C ATOM 1617 N ILE A 214 1.570 -13.422 7.275 1.00 27.57 N ATOM 1618 CA ILE A 214 2.966 -12.995 7.235 1.00 27.29 C ATOM 1619 C ILE A 214 3.575 -14.376 7.230 1.00 32.88 C ATOM 1620 O ILE A 214 3.011 -15.308 7.819 1.00 35.68 O ATOM 1621 CB ILE A 214 3.321 -12.171 8.509 1.00 30.17 C ATOM 1622 CG1 ILE A 214 2.611 -10.837 8.458 1.00 31.74 C ATOM 1623 CG2 ILE A 214 4.804 -11.968 8.675 1.00 26.72 C ATOM 1624 CD1 ILE A 214 2.850 -10.105 7.187 1.00 39.88 C ATOM 1625 N GLY A 215 4.611 -14.579 6.441 1.00 27.39 N ATOM 1626 CA GLY A 215 5.151 -15.923 6.331 1.00 26.42 C ATOM 1627 C GLY A 215 6.084 -16.345 7.447 1.00 24.35 C ATOM 1628 O GLY A 215 6.949 -17.189 7.231 1.00 24.42 O ATOM 1629 N TYR A 216 5.939 -15.736 8.626 1.00 19.43 N ATOM 1630 CA TYR A 216 6.793 -16.055 9.768 1.00 17.53 C ATOM 1631 C TYR A 216 5.922 -15.997 11.021 1.00 18.43 C ATOM 1632 O TYR A 216 4.968 -15.226 11.077 1.00 16.62 O ATOM 1633 CB TYR A 216 7.934 -15.043 9.885 1.00 16.10 C ATOM 1634 CG TYR A 216 8.764 -15.022 8.637 1.00 14.00 C ATOM 1635 CD1 TYR A 216 9.731 -15.988 8.413 1.00 16.07 C ATOM 1636 CD2 TYR A 216 8.508 -14.084 7.635 1.00 13.07 C ATOM 1637 CE1 TYR A 216 10.430 -16.049 7.191 1.00 14.20 C ATOM 1638 CE2 TYR A 216 9.212 -14.113 6.421 1.00 13.10 C ATOM 1639 CZ TYR A 216 10.165 -15.087 6.210 1.00 16.19 C ATOM 1640 OH TYR A 216 10.841 -15.148 5.003 1.00 17.76 O ATOM 1641 N PRO A 217 6.235 -16.827 12.026 1.00 16.12 N ATOM 1642 CA PRO A 217 5.363 -16.742 13.218 1.00 15.39 C ATOM 1643 C PRO A 217 5.522 -15.415 13.945 1.00 17.55 C ATOM 1644 O PRO A 217 6.639 -14.929 14.115 1.00 17.42 O ATOM 1645 CB PRO A 217 5.913 -17.827 14.166 1.00 18.03 C ATOM 1646 CG PRO A 217 6.965 -18.615 13.382 1.00 22.19 C ATOM 1647 CD PRO A 217 7.347 -17.794 12.166 1.00 16.91 C ATOM 1648 N ILE A 218 4.406 -14.879 14.418 1.00 15.86 N ATOM 1649 CA ILE A 218 4.401 -13.639 15.203 1.00 16.22 C ATOM 1650 C ILE A 218 3.909 -14.038 16.593 1.00 20.34 C ATOM 1651 O ILE A 218 2.816 -14.617 16.727 1.00 21.02 O ATOM 1652 CB ILE A 218 3.449 -12.585 14.612 1.00 19.53 C ATOM 1653 CG1 ILE A 218 3.894 -12.162 13.197 1.00 20.65 C ATOM 1654 CG2 ILE A 218 3.436 -11.327 15.481 1.00 20.33 C ATOM 1655 CD1 ILE A 218 2.893 -11.200 12.572 1.00 28.86 C ATOM 1656 N THR A 219 4.696 -13.719 17.617 1.00 16.10 N ATOM 1657 CA THR A 219 4.299 -14.038 18.993 1.00 14.00 C ATOM 1658 C THR A 219 4.070 -12.733 19.722 1.00 17.88 C ATOM 1659 O THR A 219 4.949 -11.857 19.717 1.00 18.11 O ATOM 1660 CB THR A 219 5.414 -14.769 19.723 1.00 17.59 C ATOM 1661 OG1 THR A 219 5.750 -15.978 19.020 1.00 17.38 O ATOM 1662 CG2 THR A 219 4.951 -15.129 21.179 1.00 20.54 C ATOM 1663 N LEU A 220 2.971 -12.660 20.457 1.00 12.49 N ATOM 1664 CA LEU A 220 2.714 -11.485 21.287 1.00 13.10 C ATOM 1665 C LEU A 220 3.138 -11.786 22.739 1.00 15.55 C ATOM 1666 O LEU A 220 2.649 -12.759 23.348 1.00 15.35 O ATOM 1667 CB LEU A 220 1.212 -11.139 21.250 1.00 13.62 C ATOM 1668 CG LEU A 220 0.748 -9.938 22.092 1.00 17.93 C ATOM 1669 CD1 LEU A 220 1.467 -8.640 21.699 1.00 16.34 C ATOM 1670 CD2 LEU A 220 -0.758 -9.806 21.767 1.00 21.76 C ATOM 1671 N PHE A 221 4.024 -10.974 23.311 1.00 12.41 N ATOM 1672 CA PHE A 221 4.441 -11.208 24.687 1.00 12.58 C ATOM 1673 C PHE A 221 3.426 -10.488 25.559 1.00 14.97 C ATOM 1674 O PHE A 221 3.144 -9.312 25.357 1.00 16.99 O ATOM 1675 CB PHE A 221 5.806 -10.580 24.970 1.00 15.61 C ATOM 1676 CG PHE A 221 6.963 -11.287 24.354 1.00 15.89 C ATOM 1677 CD1 PHE A 221 6.809 -12.391 23.518 1.00 19.10 C ATOM 1678 CD2 PHE A 221 8.262 -10.881 24.706 1.00 19.66 C ATOM 1679 CE1 PHE A 221 7.934 -13.088 23.057 1.00 21.81 C ATOM 1680 CE2 PHE A 221 9.376 -11.559 24.234 1.00 20.14 C ATOM 1681 CZ PHE A 221 9.221 -12.668 23.426 1.00 19.25 C ATOM 1682 N VAL A 222 2.864 -11.195 26.527 1.00 12.96 N ATOM 1683 CA VAL A 222 1.849 -10.597 27.388 1.00 14.26 C ATOM 1684 C VAL A 222 2.220 -10.822 28.841 1.00 15.74 C ATOM 1685 O VAL A 222 3.015 -11.690 29.146 1.00 14.71 O ATOM 1686 CB VAL A 222 0.430 -11.191 27.095 1.00 20.94 C ATOM 1687 CG1 VAL A 222 0.150 -11.159 25.610 1.00 23.04 C ATOM 1688 CG2 VAL A 222 0.324 -12.630 27.616 1.00 20.87 C ATOM 1689 N GLU A 223 1.687 -9.993 29.733 1.00 16.58 N ATOM 1690 CA GLU A 223 1.995 -10.174 31.144 1.00 16.62 C ATOM 1691 C GLU A 223 0.668 -10.336 31.862 1.00 19.21 C ATOM 1692 O GLU A 223 0.053 -9.341 32.229 1.00 19.55 O ATOM 1693 CB GLU A 223 2.748 -8.982 31.730 1.00 18.30 C ATOM 1694 CG GLU A 223 3.136 -9.258 33.192 1.00 30.77 C ATOM 1695 CD GLU A 223 4.086 -8.227 33.776 1.00 54.48 C ATOM 1696 OE1 GLU A 223 5.307 -8.326 33.531 1.00 55.01 O ATOM 1697 OE2 GLU A 223 3.601 -7.346 34.511 1.00 46.61 O ATOM 1698 N LYS A 224 0.199 -11.570 31.991 1.00 16.00 N ATOM 1699 CA LYS A 224 -1.112 -11.816 32.573 1.00 15.19 C ATOM 1700 C LYS A 224 -1.093 -12.746 33.782 1.00 17.91 C ATOM 1701 O LYS A 224 -2.167 -13.054 34.336 1.00 15.33 O ATOM 1702 CB LYS A 224 -2.030 -12.426 31.513 1.00 17.90 C ATOM 1703 CG LYS A 224 -2.210 -11.548 30.313 1.00 26.12 C ATOM 1704 CD LYS A 224 -2.633 -12.392 29.101 1.00 28.22 C ATOM 1705 CE LYS A 224 -4.096 -12.292 28.840 1.00 32.91 C ATOM 1706 NZ LYS A 224 -4.401 -12.951 27.527 1.00 27.15 N ATOM 1707 N GLU A 225 0.106 -13.185 34.173 1.00 14.54 N ATOM 1708 CA GLU A 225 0.239 -14.179 35.258 1.00 14.71 C ATOM 1709 C GLU A 225 1.256 -13.746 36.295 1.00 18.34 C ATOM 1710 O GLU A 225 1.814 -14.589 37.010 1.00 18.36 O ATOM 1711 CB GLU A 225 0.679 -15.525 34.686 1.00 15.90 C ATOM 1712 CG GLU A 225 -0.350 -16.181 33.792 1.00 28.82 C ATOM 1713 CD GLU A 225 0.195 -17.376 33.039 1.00 42.95 C ATOM 1714 OE1 GLU A 225 1.117 -18.049 33.532 1.00 48.89 O ATOM 1715 OE2 GLU A 225 -0.335 -17.664 31.963 1.00 31.53 O ATOM 1716 N ARG A 226 1.462 -12.438 36.425 1.00 15.92 N ATOM 1717 CA ARG A 226 2.454 -11.981 37.369 1.00 14.23 C ATOM 1718 C ARG A 226 2.025 -12.353 38.791 1.00 21.19 C ATOM 1719 O ARG A 226 0.872 -12.126 39.169 1.00 19.58 O ATOM 1720 CB ARG A 226 2.664 -10.494 37.240 1.00 16.90 C ATOM 1721 CG ARG A 226 3.926 -10.030 37.939 1.00 23.68 C ATOM 1722 CD ARG A 226 4.186 -8.585 37.606 1.00 28.85 C ATOM 1723 NE ARG A 226 5.383 -8.057 38.262 1.00 29.08 N ATOM 1724 CZ ARG A 226 6.492 -7.726 37.616 1.00 32.45 C ATOM 1725 NH1 ARG A 226 6.574 -7.890 36.293 1.00 20.35 N ATOM 1726 NH2 ARG A 226 7.500 -7.205 38.291 1.00 22.05 N ATOM 1727 N ASP A 227 2.944 -12.948 39.563 1.00 15.80 N ATOM 1728 CA ASP A 227 2.613 -13.350 40.922 1.00 14.75 C ATOM 1729 C ASP A 227 2.375 -12.089 41.727 1.00 19.50 C ATOM 1730 O ASP A 227 3.143 -11.129 41.634 1.00 20.98 O ATOM 1731 CB ASP A 227 3.749 -14.154 41.556 1.00 16.28 C ATOM 1732 CG ASP A 227 4.094 -15.425 40.769 1.00 27.19 C ATOM 1733 OD1 ASP A 227 3.205 -15.963 40.065 1.00 27.83 O ATOM 1734 OD2 ASP A 227 5.243 -15.917 40.914 1.00 27.14 O ATOM 1735 N LYS A 228 1.383 -12.123 42.599 1.00 18.23 N ATOM 1736 CA LYS A 228 1.079 -10.950 43.412 1.00 19.84 C ATOM 1737 C LYS A 228 2.212 -10.487 44.308 1.00 23.17 C ATOM 1738 O LYS A 228 2.344 -9.280 44.594 1.00 21.25 O ATOM 1739 CB LYS A 228 -0.173 -11.187 44.258 1.00 23.29 C ATOM 1740 CG LYS A 228 -0.079 -12.302 45.274 1.00 32.07 C ATOM 1741 CD LYS A 228 -1.343 -12.264 46.170 1.00 37.01 C ATOM 1742 CE LYS A 228 -1.172 -13.091 47.428 1.00 36.98 C ATOM 1743 NZ LYS A 228 -1.288 -14.544 47.141 1.00 50.36 N ATOM 1744 N GLU A 229 3.037 -11.434 44.747 1.00 19.12 N ATOM 1745 CA GLU A 229 4.135 -11.120 45.669 1.00 19.04 C ATOM 1746 C GLU A 229 5.285 -10.337 45.055 1.00 22.40 C ATOM 1747 O GLU A 229 6.165 -9.840 45.770 1.00 23.54 O ATOM 1748 CB GLU A 229 4.619 -12.346 46.457 1.00 19.67 C ATOM 1749 CG GLU A 229 3.523 -13.115 47.217 1.00 22.45 C ATOM 1750 CD GLU A 229 2.718 -14.114 46.362 1.00 32.52 C ATOM 1751 OE1 GLU A 229 2.799 -14.094 45.111 1.00 20.09 O ATOM 1752 OE2 GLU A 229 2.019 -14.964 46.946 1.00 31.13 O ATOM 1753 N VAL A 230 5.215 -10.152 43.738 1.00 17.24 N ATOM 1754 CA VAL A 230 6.154 -9.329 42.999 1.00 17.82 C ATOM 1755 C VAL A 230 5.375 -8.449 42.009 1.00 25.39 C ATOM 1756 O VAL A 230 5.863 -8.163 40.904 1.00 26.75 O ATOM 1757 CB VAL A 230 7.229 -10.202 42.264 1.00 20.46 C ATOM 1758 CG1 VAL A 230 8.208 -10.775 43.289 1.00 21.19 C ATOM 1759 CG2 VAL A 230 6.575 -11.311 41.418 1.00 20.12 C ATOM 1760 N SER A 231 4.150 -8.056 42.366 1.00 19.74 N ATOM 1761 CA SER A 231 3.380 -7.199 41.450 1.00 39.21 C ATOM 1762 C SER A 231 4.153 -5.916 41.180 1.00 67.31 C ATOM 1763 O SER A 231 4.543 -5.222 42.114 1.00 37.55 O ATOM 1764 CB SER A 231 2.003 -6.852 42.009 1.00 42.91 C ATOM 1765 OG SER A 231 1.253 -8.024 42.234 1.00 54.84 O TER 1766 SER A 231 HETATM 1767 C1 XJX A1232 13.790 0.293 10.800 1.00 15.54 C HETATM 1768 C2 XJX A1232 13.097 -0.409 9.627 1.00 12.98 C HETATM 1769 C3 XJX A1232 13.565 0.183 8.302 1.00 14.93 C HETATM 1770 C4 XJX A1232 13.280 -1.925 9.716 1.00 9.53 C HETATM 1771 C5 XJX A1232 14.378 -2.556 9.133 1.00 15.89 C HETATM 1772 C6 XJX A1232 14.593 -3.928 9.284 1.00 12.21 C HETATM 1773 C7 XJX A1232 15.763 -4.569 8.623 1.00 9.97 C HETATM 1774 O8 XJX A1232 16.684 -4.985 9.297 1.00 12.42 O HETATM 1775 N9 XJX A1232 15.793 -4.597 7.283 1.00 13.46 N HETATM 1776 C10 XJX A1232 16.882 -5.218 6.515 1.00 13.49 C HETATM 1777 C11 XJX A1232 16.266 -5.375 5.153 1.00 13.44 C HETATM 1778 C12 XJX A1232 16.789 -5.984 4.019 1.00 17.34 C HETATM 1779 C13 XJX A1232 16.053 -6.015 2.848 1.00 16.78 C HETATM 1780 C14 XJX A1232 14.788 -5.437 2.793 1.00 25.83 C HETATM 1781 C15 XJX A1232 13.987 -5.448 1.514 1.00 39.58 C HETATM 1782 N16 XJX A1232 14.297 -4.266 0.628 1.00 54.90 N HETATM 1783 C18 XJX A1232 14.308 -2.986 1.412 1.00 62.09 C HETATM 1784 C19 XJX A1232 14.638 -1.795 0.524 1.00 64.75 C HETATM 1785 N20 XJX A1232 15.958 -2.012 -0.141 1.00 66.96 N HETATM 1786 C22 XJX A1232 16.369 -0.825 -0.948 1.00 67.04 C HETATM 1787 C23 XJX A1232 15.912 -3.253 -0.973 1.00 63.79 C HETATM 1788 C24 XJX A1232 15.599 -4.453 -0.093 1.00 59.84 C HETATM 1789 C25 XJX A1232 14.282 -4.834 3.941 1.00 22.06 C HETATM 1790 C26 XJX A1232 15.019 -4.810 5.112 1.00 12.57 C HETATM 1791 C27 XJX A1232 14.667 -4.183 6.433 1.00 12.00 C HETATM 1792 C28 XJX A1232 13.715 -4.685 10.039 1.00 11.17 C HETATM 1793 O29 XJX A1232 13.937 -6.030 10.185 1.00 12.20 O HETATM 1794 C30 XJX A1232 12.626 -4.073 10.659 1.00 12.43 C HETATM 1795 C31 XJX A1232 12.417 -2.711 10.512 1.00 10.77 C HETATM 1796 O32 XJX A1232 11.320 -2.163 11.117 1.00 13.22 O HETATM 1797 O HOH A2001 37.735 7.874 34.248 1.00 50.95 O HETATM 1798 O HOH A2002 23.812 11.740 21.660 1.00 31.84 O HETATM 1799 O HOH A2003 24.908 16.034 9.888 1.00 44.12 O HETATM 1800 O HOH A2004 21.616 14.288 5.980 1.00 26.25 O HETATM 1801 O HOH A2005 24.044 14.576 8.478 1.00 31.18 O HETATM 1802 O HOH A2006 17.053 17.570 9.466 1.00 18.04 O HETATM 1803 O HOH A2007 13.498 13.761 -1.524 1.00 34.36 O HETATM 1804 O HOH A2008 -6.014 2.712 7.110 1.00 32.25 O HETATM 1805 O HOH A2009 11.676 17.084 11.496 1.00 22.55 O HETATM 1806 O HOH A2010 5.436 20.924 5.062 1.00 31.93 O HETATM 1807 O HOH A2011 6.691 20.068 7.516 1.00 21.79 O HETATM 1808 O HOH A2012 4.066 -11.006 3.353 1.00 36.45 O HETATM 1809 O HOH A2013 5.619 -10.325 1.562 1.00 46.07 O HETATM 1810 O HOH A2014 5.237 20.630 9.861 1.00 27.64 O HETATM 1811 O HOH A2015 0.087 12.710 13.696 1.00 37.25 O HETATM 1812 O HOH A2016 25.852 -26.098 -0.884 1.00 37.40 O HETATM 1813 O HOH A2017 -3.985 18.966 12.399 1.00 34.12 O HETATM 1814 O HOH A2018 -5.487 9.700 15.009 1.00 27.37 O HETATM 1815 O HOH A2019 -1.124 17.085 5.922 1.00 39.74 O HETATM 1816 O HOH A2020 -4.840 9.388 7.664 1.00 29.09 O HETATM 1817 O HOH A2021 -6.208 12.004 8.164 1.00 27.42 O HETATM 1818 O HOH A2022 -10.162 10.618 13.075 1.00 24.86 O HETATM 1819 O HOH A2023 12.754 -13.574 23.230 1.00 44.36 O HETATM 1820 O HOH A2024 13.713 -17.354 20.891 1.00 47.12 O HETATM 1821 O HOH A2025 8.604 -18.484 17.286 1.00 35.37 O HETATM 1822 O HOH A2026 -7.912 3.001 11.650 1.00 34.98 O HETATM 1823 O HOH A2027 -1.409 -3.592 34.078 1.00 48.33 O HETATM 1824 O HOH A2028 1.572 -6.152 28.943 1.00 35.16 O HETATM 1825 O HOH A2029 -1.226 -2.106 11.181 1.00 21.22 O HETATM 1826 O HOH A2030 -7.022 1.523 9.287 1.00 37.88 O HETATM 1827 O HOH A2031 -6.046 3.779 13.641 1.00 22.17 O HETATM 1828 O HOH A2032 2.328 -6.100 7.697 1.00 16.38 O HETATM 1829 O HOH A2033 28.514 -1.842 4.416 1.00 28.85 O HETATM 1830 O HOH A2034 26.628 -4.753 2.782 1.00 32.07 O HETATM 1831 O HOH A2035 20.294 -6.745 3.194 1.00 28.25 O HETATM 1832 O HOH A2036 7.487 -0.204 5.715 1.00 34.25 O HETATM 1833 O HOH A2037 3.060 -2.242 4.758 1.00 36.50 O HETATM 1834 O HOH A2038 5.397 -0.629 3.352 1.00 31.83 O HETATM 1835 O HOH A2039 9.365 -0.109 10.022 1.00 27.24 O HETATM 1836 O HOH A2040 10.553 1.573 5.900 1.00 42.04 O HETATM 1837 O HOH A2041 5.851 -12.798 4.559 1.00 29.34 O HETATM 1838 O HOH A2042 13.422 -9.342 1.040 1.00 21.09 O HETATM 1839 O HOH A2043 10.919 -3.265 3.425 1.00 33.94 O HETATM 1840 O HOH A2044 6.392 -7.102 2.941 1.00 39.38 O HETATM 1841 O HOH A2045 7.347 -14.043 3.070 1.00 31.14 O HETATM 1842 O HOH A2046 11.094 -10.186 0.140 1.00 27.77 O HETATM 1843 O HOH A2047 8.114 -9.969 2.988 1.00 23.19 O HETATM 1844 O HOH A2048 19.145 -10.306 -2.270 1.00 43.97 O HETATM 1845 O HOH A2049 11.707 -20.560 8.428 1.00 24.70 O HETATM 1846 O HOH A2050 13.589 -20.618 6.356 1.00 17.76 O HETATM 1847 O HOH A2051 8.570 -19.247 8.074 1.00 29.58 O HETATM 1848 O HOH A2052 8.719 -17.951 0.513 1.00 43.19 O HETATM 1849 O HOH A2053 16.223 -20.080 6.760 1.00 16.80 O HETATM 1850 O HOH A2054 19.466 -23.713 3.247 1.00 17.66 O HETATM 1851 O HOH A2055 19.111 -24.918 -0.326 1.00 20.03 O HETATM 1852 O HOH A2056 22.626 -24.817 -1.328 1.00 28.14 O HETATM 1853 O HOH A2057 25.498 -23.679 -1.501 1.00 37.13 O HETATM 1854 O HOH A2058 24.100 -22.475 10.409 1.00 31.25 O HETATM 1855 O HOH A2059 24.173 -16.616 0.534 1.00 19.80 O HETATM 1856 O HOH A2060 23.307 -20.861 16.028 1.00 31.37 O HETATM 1857 O HOH A2061 24.201 -23.185 16.484 1.00 34.65 O HETATM 1858 O HOH A2062 15.957 -20.982 9.459 1.00 16.70 O HETATM 1859 O HOH A2063 19.659 -20.191 16.900 1.00 33.42 O HETATM 1860 O HOH A2064 12.127 -21.833 12.507 1.00 47.00 O HETATM 1861 O HOH A2065 10.264 -20.045 12.623 1.00 31.35 O HETATM 1862 O HOH A2066 17.251 -16.462 15.352 1.00 26.30 O HETATM 1863 O HOH A2067 9.739 -19.420 10.515 1.00 26.63 O HETATM 1864 O HOH A2068 13.147 -20.753 10.864 1.00 15.73 O HETATM 1865 O HOH A2069 11.733 -15.545 21.311 1.00 34.92 O HETATM 1866 O HOH A2070 9.230 -16.339 20.119 1.00 36.73 O HETATM 1867 O HOH A2071 12.756 -11.023 21.842 1.00 21.99 O HETATM 1868 O HOH A2072 -10.162 -8.422 11.036 1.00 38.91 O HETATM 1869 O HOH A2073 7.202 -6.012 28.250 1.00 39.87 O HETATM 1870 O HOH A2074 9.964 -4.284 27.032 1.00 34.32 O HETATM 1871 O HOH A2075 3.395 -4.650 30.475 1.00 28.46 O HETATM 1872 O HOH A2076 -1.803 -4.627 31.542 1.00 51.12 O HETATM 1873 O HOH A2077 4.425 -4.331 37.578 1.00 41.76 O HETATM 1874 O HOH A2078 12.815 0.644 30.575 1.00 41.70 O HETATM 1875 O HOH A2079 10.331 5.303 29.743 1.00 39.78 O HETATM 1876 O HOH A2080 2.957 -20.106 38.895 1.00 37.91 O HETATM 1877 O HOH A2081 8.557 -2.852 24.732 1.00 15.15 O HETATM 1878 O HOH A2082 12.423 -3.106 24.400 1.00 25.23 O HETATM 1879 O HOH A2083 11.906 -5.126 14.114 1.00 12.22 O HETATM 1880 O HOH A2084 16.414 -7.767 10.341 1.00 11.71 O HETATM 1881 O HOH A2085 23.009 -10.723 8.317 1.00 18.39 O HETATM 1882 O HOH A2086 28.657 -0.253 6.729 1.00 17.99 O HETATM 1883 O HOH A2087 25.601 -2.362 3.293 1.00 27.34 O HETATM 1884 O HOH A2088 23.459 -5.026 3.566 1.00 27.19 O HETATM 1885 O HOH A2089 20.253 -4.833 5.312 1.00 17.38 O HETATM 1886 O HOH A2090 24.491 8.259 2.795 1.00 23.04 O HETATM 1887 O HOH A2091 18.727 -2.628 4.381 1.00 20.30 O HETATM 1888 O HOH A2092 13.388 3.578 5.331 1.00 38.63 O HETATM 1889 O HOH A2093 18.545 2.888 0.595 1.00 32.64 O HETATM 1890 O HOH A2094 16.623 -1.377 5.749 1.00 29.06 O HETATM 1891 O HOH A2095 21.005 15.046 2.753 1.00 36.54 O HETATM 1892 O HOH A2096 25.065 12.957 5.737 1.00 37.28 O HETATM 1893 O HOH A2097 17.468 8.102 4.065 1.00 16.45 O HETATM 1894 O HOH A2098 17.333 6.524 -1.078 1.00 23.68 O HETATM 1895 O HOH A2099 20.758 13.218 -0.258 1.00 26.60 O HETATM 1896 O HOH A2100 18.803 9.256 -2.627 1.00 36.45 O HETATM 1897 O HOH A2101 15.115 6.001 -2.491 1.00 29.85 O HETATM 1898 O HOH A2102 8.851 12.416 -4.592 1.00 32.13 O HETATM 1899 O HOH A2103 10.961 6.990 -1.525 1.00 34.96 O HETATM 1900 O HOH A2104 13.633 12.514 0.743 1.00 20.75 O HETATM 1901 O HOH A2105 11.386 13.154 -2.863 1.00 28.31 O HETATM 1902 O HOH A2106 1.392 20.520 -1.592 1.00 39.29 O HETATM 1903 O HOH A2107 -3.759 13.723 4.853 1.00 32.23 O HETATM 1904 O HOH A2108 -5.448 8.008 0.146 1.00 42.59 O HETATM 1905 O HOH A2109 -8.158 10.852 6.557 1.00 29.81 O HETATM 1906 O HOH A2110 -4.353 4.687 7.494 1.00 29.01 O HETATM 1907 O HOH A2111 -5.553 0.759 5.650 1.00 43.52 O HETATM 1908 O HOH A2112 9.250 1.393 -1.790 1.00 47.01 O HETATM 1909 O HOH A2113 7.920 2.171 2.829 1.00 22.76 O HETATM 1910 O HOH A2114 8.429 1.972 11.486 1.00 28.06 O HETATM 1911 O HOH A2115 10.924 3.677 5.131 1.00 24.07 O HETATM 1912 O HOH A2116 14.959 7.499 5.292 1.00 19.82 O HETATM 1913 O HOH A2117 5.916 2.249 11.813 1.00 24.91 O HETATM 1914 O HOH A2118 6.343 11.716 17.459 1.00 33.40 O HETATM 1915 O HOH A2119 9.386 13.610 19.841 1.00 34.27 O HETATM 1916 O HOH A2120 15.034 3.011 23.798 1.00 33.84 O HETATM 1917 O HOH A2121 28.372 -11.813 14.696 1.00 34.05 O HETATM 1918 O HOH A2122 22.349 -7.726 3.538 1.00 33.46 O HETATM 1919 O HOH A2123 24.393 -12.121 5.949 1.00 11.36 O HETATM 1920 O HOH A2124 28.163 -9.723 4.951 1.00 46.22 O HETATM 1921 O HOH A2125 28.674 -12.413 11.836 1.00 44.92 O HETATM 1922 O HOH A2126 33.280 -1.643 17.101 1.00 29.13 O HETATM 1923 O HOH A2127 25.184 -4.699 11.860 1.00 14.81 O HETATM 1924 O HOH A2128 32.345 -3.800 11.145 1.00 30.10 O HETATM 1925 O HOH A2129 33.605 -2.066 12.742 1.00 34.30 O HETATM 1926 O HOH A2130 28.295 -6.468 18.038 1.00 24.54 O HETATM 1927 O HOH A2131 26.402 -7.294 19.793 1.00 38.54 O HETATM 1928 O HOH A2132 28.505 -3.052 18.531 1.00 24.31 O HETATM 1929 O HOH A2133 31.586 -0.037 12.945 1.00 26.04 O HETATM 1930 O HOH A2134 18.806 11.006 18.980 1.00 36.56 O HETATM 1931 O HOH A2135 20.767 5.395 21.296 1.00 30.17 O HETATM 1932 O HOH A2136 16.072 13.492 17.906 1.00 16.29 O HETATM 1933 O HOH A2137 16.551 10.817 20.734 1.00 22.84 O HETATM 1934 O HOH A2138 16.831 18.527 17.046 1.00 31.48 O HETATM 1935 O HOH A2139 9.992 17.196 13.813 1.00 22.02 O HETATM 1936 O HOH A2140 12.958 14.943 12.305 1.00 16.01 O HETATM 1937 O HOH A2141 21.630 17.364 17.399 1.00 44.61 O HETATM 1938 O HOH A2142 19.215 13.203 17.972 1.00 19.23 O HETATM 1939 O HOH A2143 21.859 6.060 18.978 1.00 18.84 O HETATM 1940 O HOH A2144 28.283 4.897 15.119 1.00 28.93 O HETATM 1941 O HOH A2145 18.663 0.764 23.806 1.00 52.66 O HETATM 1942 O HOH A2146 32.102 2.045 20.186 1.00 24.01 O HETATM 1943 O HOH A2147 20.840 -2.709 22.959 1.00 44.49 O HETATM 1944 O HOH A2148 18.490 -5.429 28.354 1.00 43.28 O HETATM 1945 O HOH A2149 13.935 -8.932 22.888 1.00 42.38 O HETATM 1946 O HOH A2150 18.721 -14.696 17.680 1.00 40.92 O HETATM 1947 O HOH A2151 16.587 -11.546 18.655 1.00 30.30 O HETATM 1948 O HOH A2152 24.868 -11.292 13.066 1.00 18.20 O HETATM 1949 O HOH A2153 26.073 -12.298 16.135 1.00 31.69 O HETATM 1950 O HOH A2154 19.082 -13.985 15.367 1.00 20.43 O HETATM 1951 O HOH A2155 17.109 -10.336 16.732 1.00 19.62 O HETATM 1952 O HOH A2156 -3.879 14.354 22.127 1.00 18.59 O HETATM 1953 O HOH A2157 0.452 12.485 22.968 1.00 41.59 O HETATM 1954 O HOH A2158 -0.788 12.008 18.531 1.00 41.58 O HETATM 1955 O HOH A2159 -3.898 10.601 16.992 1.00 27.35 O HETATM 1956 O HOH A2160 -2.724 1.085 27.375 1.00 33.91 O HETATM 1957 O HOH A2161 -4.377 5.486 23.008 1.00 28.38 O HETATM 1958 O HOH A2162 -4.223 5.965 17.035 1.00 22.73 O HETATM 1959 O HOH A2163 0.012 -5.396 27.170 1.00 34.37 O HETATM 1960 O HOH A2164 -5.627 -4.597 29.913 1.00 51.84 O HETATM 1961 O HOH A2165 -3.235 -8.744 28.028 1.00 31.92 O HETATM 1962 O HOH A2166 -3.035 -5.962 27.465 1.00 27.71 O HETATM 1963 O HOH A2167 -13.200 -8.363 23.231 1.00 29.00 O HETATM 1964 O HOH A2168 -9.074 -7.634 13.514 1.00 30.26 O HETATM 1965 O HOH A2169 -13.473 -3.145 18.678 1.00 29.61 O HETATM 1966 O HOH A2170 -0.728 -4.748 11.583 1.00 20.19 O HETATM 1967 O HOH A2171 -1.705 -7.832 4.907 1.00 30.04 O HETATM 1968 O HOH A2172 -0.438 -12.799 10.893 1.00 38.53 O HETATM 1969 O HOH A2173 -9.611 -9.157 8.638 1.00 34.56 O HETATM 1970 O HOH A2174 0.087 -9.210 5.119 1.00 28.49 O HETATM 1971 O HOH A2175 1.307 -11.215 3.680 1.00 35.43 O HETATM 1972 O HOH A2176 7.474 -17.921 5.131 1.00 29.21 O HETATM 1973 O HOH A2177 2.413 -15.356 11.202 1.00 31.35 O HETATM 1974 O HOH A2178 7.494 -15.568 17.031 1.00 18.18 O HETATM 1975 O HOH A2179 3.853 -7.749 27.367 1.00 29.30 O HETATM 1976 O HOH A2180 3.166 -4.031 33.356 1.00 36.32 O HETATM 1977 O HOH A2181 -0.427 -6.733 31.126 1.00 35.25 O HETATM 1978 O HOH A2182 1.441 -7.363 35.713 1.00 33.57 O HETATM 1979 O HOH A2183 0.548 -5.685 33.697 1.00 41.41 O HETATM 1980 O HOH A2184 4.692 -5.044 35.113 1.00 36.72 O HETATM 1981 O HOH A2185 -0.662 -8.219 28.515 1.00 35.58 O HETATM 1982 O HOH A2186 -4.768 -13.561 33.488 1.00 15.98 O HETATM 1983 O HOH A2187 3.464 -17.830 34.658 1.00 31.97 O HETATM 1984 O HOH A2188 -0.040 -9.582 40.091 1.00 31.24 O HETATM 1985 O HOH A2189 5.459 -13.570 38.653 1.00 22.54 O HETATM 1986 O HOH A2190 4.565 -18.562 41.315 1.00 27.94 O HETATM 1987 O HOH A2191 0.644 -16.071 39.435 1.00 29.11 O HETATM 1988 O HOH A2192 -0.414 -14.253 42.619 1.00 32.86 O HETATM 1989 O HOH A2193 2.664 -7.187 46.472 1.00 39.29 O HETATM 1990 O HOH A2194 1.746 -16.471 43.648 1.00 28.26 O HETATM 1991 O HOH A2195 2.387 -15.739 49.334 1.00 27.40 O HETATM 1992 O HOH A2196 2.092 -17.762 45.874 1.00 38.94 O HETATM 1993 O HOH A2197 5.310 -8.023 47.649 1.00 33.44 O HETATM 1994 O HOH A2198 9.955 -3.764 12.525 1.00 12.92 O CONECT 1767 1768 CONECT 1768 1767 1769 1770 CONECT 1769 1768 CONECT 1770 1768 1771 1795 CONECT 1771 1770 1772 CONECT 1772 1771 1773 1792 CONECT 1773 1772 1774 1775 CONECT 1774 1773 CONECT 1775 1773 1776 1791 CONECT 1776 1775 1777 CONECT 1777 1776 1778 1790 CONECT 1778 1777 1779 CONECT 1779 1778 1780 CONECT 1780 1779 1781 1789 CONECT 1781 1780 1782 CONECT 1782 1781 1783 1788 CONECT 1783 1782 1784 CONECT 1784 1783 1785 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 1788 CONECT 1788 1782 1787 CONECT 1789 1780 1790 CONECT 1790 1777 1789 1791 CONECT 1791 1775 1790 CONECT 1792 1772 1793 1794 CONECT 1793 1792 CONECT 1794 1792 1795 CONECT 1795 1770 1794 1796 CONECT 1796 1795 MASTER 451 0 1 11 8 0 4 6 1993 1 30 20 END -TXJX_A_1232 10151917143D 1 1.00000 0.00000 0 61 64 0 0 0 0 999 V2000 13.7900 0.2930 10.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 -0.4090 9.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5650 0.1830 8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 -1.9250 9.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3780 -2.5560 9.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5930 -3.9280 9.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7630 -4.5690 8.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6840 -4.9850 9.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 -4.5970 7.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8820 -5.2180 6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2660 -5.3750 5.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7890 -5.9840 4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0530 -6.0150 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7880 -5.4370 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9870 -5.4480 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 -4.2660 0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3080 -2.9860 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 -1.7950 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9580 -2.0120 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3690 -0.8250 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9120 -3.2530 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5990 -4.4530 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2820 -4.8340 3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0190 -4.8100 5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6670 -4.1830 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7150 -4.6850 10.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 -6.0300 10.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 -4.0730 10.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 -2.7110 10.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 -2.1630 11.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4735 -0.1054 11.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7798 0.1743 10.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 1.2681 10.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1177 -0.2229 9.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1049 -0.2844 7.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3430 1.1577 8.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5540 0.0639 8.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0251 -2.0152 8.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 -6.1044 6.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6861 -4.6244 6.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6978 -6.4001 4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -6.4561 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0141 -5.4295 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1948 -6.2879 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9953 -3.0531 2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4061 -2.8471 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6793 -0.9660 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 -1.6931 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2540 -1.0043 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6844 -0.6497 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 -0.0260 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7982 -3.3885 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2016 -3.1587 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 -5.2716 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3313 -4.5660 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3751 -4.4131 3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6153 -3.1871 6.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7995 -4.5369 6.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3073 -6.5845 10.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 -4.6181 11.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7201 -2.7345 11.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 5 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 30 61 1 0 0 0 0 M END Hyde pKi Affinity Estimate Protein: 2XJX Binding site defined by: XJX_A_1232K`A=Name<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> ϙYE>"k M ^Q$Fó;G&7IGQ)ó[HNɊp?Au@{∻fCC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(C)CC4fCC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)COSA$9c4216b7-adbc-41c5-b09e-a9f5dc26114e61 9.59200668 -1.7990379312.8687-0.4745 11.48980050 10.5920067 -1.79903793 12.3589001-0.963 10.14379980 11.0920067 -2.66506362 12.9413996 -0.0988000035 9.037400250 11.0920067 -0.933012605 12.7835999 -2.40779996 9.935000420 10.5920067 -0.0669871941 14.0017996 -2.66610003 9.314599990 11.0920067 0.799038231 14.4006996 -3.98399997 9.117899890 10.5920067 1.66506362 15.6735001 -4.2343998 8.469400410 11.0920067 2.53108883 16.6725998 -4.33290005 9.12670040 9.59200668 1.66506362 15.7365999 -4.36149979 7.073999880 9.00839806 0.860331237 16.9204998 -4.61399984 6.255700110 8.06217766 1.16506362 16.3771992 -5.3361001 5.034900190 7.19615221 0.66506356 16.9754009 -6.09670019 4.033500190 6.33012724 1.1650635 16.2278004 -6.61030006 2.977799890 6.33012724 2.16506362 14.8605003 -6.36819983 2.922199960 5.46410179 2.66506362 14.0403004 -6.92269993 1.769500020 4.59807634 2.16506362 13.4071999 -5.81010008 1.036599990 3.7320509 2.66506362 14.3116999 -5.36280012 -0.03350000080 2.86602545 2.16506362 14.5412998 -3.8585999 -0.01649999990 2.86602545 1.1650635 13.2707005 -3.11919999 0.062199998602 0.6650635 13.5114002 -1.67569995 0.2083999960 3.7320509 0.6650635 12.3844995 -3.59570003 1.138299940 4.59807634 1.1650635 13.0145998 -4.719399931.94110 7.19615221 2.66506362 14.2379999 -5.620200163.91310 8.06217766 2.16506362 15.0186005 -5.12459993 4.946800230 9.00839806 2.4697957 14.6211996 -4.26900005 6.132500170 12.0920067 0.799038231 13.5894003 -5.03350019 9.537899970 12.5920067 1.66506362 13.9561996 -6.32040024 9.357600210 12.5920067 -0.0669871718 12.3726997 -4.7677002 10.15789990 12.0920067 -0.933012605 11.9664001 -3.45149994 10.35779950 12.5920067 -1.79903793 10.7862997 -3.19370008 10.95909980 9.59200668 -2.41903806 13.8667002 -0.534799993 11.51019950 8.9720068 -1.79903793 12.5894003 0.47589999411.62710 9.59200668 -1.17903793 12.4855003 -1.0429999812.21770! 11.2120066 -1.79903793 11.3610001 -0.902700007 10.12339970" 11.4020071 -3.20199943 12.6059999 -0.42019999 8.151800160# 11.6289425 -2.35506368 12.6620998 0.851599991 9.174699780$ 10.5550709 -2.97506356 13.9393997 -0.159099996 9.057700160% 9.9720068 -0.0669871941 14.5847998 -1.91170001 9.012999530& 8.75736523 0.293425053 17.5755005 -5.18879986 6.746300220' 9.54578018 0.551106095 17.3612003 -3.75539994 5.993800160( 7.19615221 0.0450635627 17.9582005 -6.27689981 4.073599820) 5.79319143 0.855063617 16.6721001 -7.15059996 2.263299940* 5.06557369 3.14001107 14.6375999 -7.43260002 1.150400040+ 5.86262989 3.14001107 13.3324003 -7.53200006 2.126899960, 3.33352256 3.14001107 13.9139996 -5.61590004 -0.9154000280- 2.65397286 2.74767303 15.1029997 -3.62470007 0.7771000270. 2.25544453 2.05740166 15.0200996 -3.59360003 -0.8533999920/ 1.46306419 0.355063498 14.0286999 -1.34249997 -0.5798000100 2.30999994 0.128127739 12.6358004 -1.195299980.259701 1.69000006 1.20199931 14.0331001 -1.50779998 1.0448000402 4.13057899 0.190115973 11.5333004 -3.92770004 0.7318000203 3.33352256 0.190115958 12.1848001 -2.83270001 1.7532000504 5.20865726 1.27272534 13.8232002-4.375 2.4181001205 4.81012869 0.582454145 12.3542995 -5.062300212.609206 7.19615221 3.28506351 13.2540998 -5.44369984 3.8821001107 9.54578018 2.77902079 14.4821997 -3.3204999 5.8477997808 8.75736523 3.03670192 13.7821999 -4.61819983 6.5496997809 13.2120066 1.66506362 14.8003998 -6.66230011 9.770400050: 13.2120066 -0.0669871569 11.7901001 -5.5222001110.460; 13.2120066 -1.79903793 9.9350996 -3.52670002 10.55329990< 4.13057899 3.14001107 15.1927004 -5.82229996 0.0790000036064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20OSA$90171131-5be4-4769-8f57-ca934a59b1fa61 9.59200668 -1.79903793 10.5920067 -1.79903793 11.0920067 -2.66506362 11.0920067 -0.933012605 10.5920067 -0.0669871941 11.0920067 0.799038231 10.5920067 1.66506362 11.0920067 2.53108883 9.59200668 1.66506362 9.00839806 0.860331237 8.06217766 1.16506362 7.19615221 0.66506356 6.33012724 1.1650635 6.33012724 2.16506362 5.46410179 2.66506362 4.59807634 2.16506362 3.7320509 2.66506362 2.86602545 2.16506362 2.86602545 1.16506352 0.6650635 3.7320509 0.6650635 4.59807634 1.1650635 7.19615221 2.66506362 8.06217766 2.16506362 9.00839806 2.4697957 12.0920067 0.799038231 12.5920067 1.66506362 12.5920067 -0.0669871718 12.0920067 -0.933012605 12.5920067 -1.79903793 9.59200668 -1.17903793 8.9720068 -1.79903793 9.59200668 -2.41903806! 11.2120066 -1.79903793" 10.5550709 -2.97506356# 11.4020071 -3.20199943$ 11.6289425 -2.35506368% 9.9720068 -0.0669871941& 8.75736523 0.293425053' 9.54578018 0.551106095( 7.19615221 0.0450635627) 5.79319143 0.855063617* 5.86262989 3.14001107+ 5.06557369 3.14001107, 4.13057899 3.14001107- 2.65397286 2.74767303. 2.25544453 2.05740166/ 1.69000006 1.201999310 1.46306419 0.3550634981 2.30999994 0.1281277392 3.33352256 0.1901159583 4.13057899 0.1901159734 4.81012869 0.5824541455 5.20865726 1.272725346 7.19615221 3.285063517 9.54578018 2.779020798 8.75736523 3.036701929 13.2120066 1.66506362: 13.2120066 -0.0669871569; 13.2120066 -1.79903793< 3.33352256 3.14001107 ^Q$Fó;G& Dc%WP OSA$9c4216b7-adbc-41c5-b09e-a9f5dc26114e61 9.59200668 -1.7990379312.8687-0.4745 11.48980050 10.5920067 -1.79903793 12.3589001-0.963 10.14379980 11.0920067 -2.66506362 12.9413996 -0.0988000035 9.037400250 11.0920067 -0.933012605 12.7835999 -2.40779996 9.935000420 10.5920067 -0.0669871941 14.0017996 -2.66610003 9.314599990 11.0920067 0.799038231 14.4006996 -3.98399997 9.117899890 10.5920067 1.66506362 15.6735001 -4.2343998 8.469400410 11.0920067 2.53108883 16.6725998 -4.33290005 9.12670040 9.59200668 1.66506362 15.7365999 -4.36149979 7.073999880 9.00839806 0.860331237 16.9204998 -4.61399984 6.255700110 8.06217766 1.16506362 16.3771992 -5.3361001 5.034900190 7.19615221 0.66506356 16.9754009 -6.09670019 4.033500190 6.33012724 1.1650635 16.2278004 -6.61030006 2.977799890 6.33012724 2.16506362 14.8605003 -6.36819983 2.922199960 5.46410179 2.66506362 14.0403004 -6.92269993 1.769500020 4.59807634 2.16506362 13.4071999 -5.81010008 1.036599990 3.7320509 2.66506362 14.3116999 -5.36280012 -0.03350000080 2.86602545 2.16506362 14.5412998 -3.8585999 -0.01649999990 2.86602545 1.1650635 13.2707005 -3.11919999 0.062199998602 0.6650635 13.5114002 -1.67569995 0.2083999960 3.7320509 0.6650635 12.3844995 -3.59570003 1.138299940 4.59807634 1.1650635 13.0145998 -4.719399931.94110 7.19615221 2.66506362 14.2379999 -5.620200163.91310 8.06217766 2.16506362 15.0186005 -5.12459993 4.946800230 9.00839806 2.4697957 14.6211996 -4.26900005 6.132500170 12.0920067 0.799038231 13.5894003 -5.03350019 9.537899970 12.5920067 1.66506362 13.9561996 -6.32040024 9.357600210 12.5920067 -0.0669871718 12.3726997 -4.7677002 10.15789990 12.0920067 -0.933012605 11.9664001 -3.45149994 10.35779950 12.5920067 -1.79903793 10.7862997 -3.19370008 10.95909980 9.59200668 -2.41903806 13.8667002 -0.534799993 11.51019950 8.9720068 -1.79903793 12.5894003 0.47589999411.62710 9.59200668 -1.17903793 12.4855003 -1.0429999812.21770! 11.2120066 -1.79903793 11.3610001 -0.902700007 10.12339970" 11.4020071 -3.20199943 12.6059999 -0.42019999 8.151800160# 11.6289425 -2.35506368 12.6620998 0.851599991 9.174699780$ 10.5550709 -2.97506356 13.9393997 -0.159099996 9.057700160% 9.9720068 -0.0669871941 14.5847998 -1.91170001 9.012999530& 8.75736523 0.293425053 17.5755005 -5.18879986 6.746300220' 9.54578018 0.551106095 17.3612003 -3.75539994 5.993800160( 7.19615221 0.0450635627 17.9582005 -6.27689981 4.073599820) 5.79319143 0.855063617 16.6721001 -7.15059996 2.263299940* 5.06557369 3.14001107 14.6375999 -7.43260002 1.150400040+ 5.86262989 3.14001107 13.3324003 -7.53200006 2.126899960, 3.33352256 3.14001107 13.9139996 -5.61590004 -0.9154000280- 2.65397286 2.74767303 15.1029997 -3.62470007 0.7771000270. 2.25544453 2.05740166 15.0200996 -3.59360003 -0.8533999920/ 1.46306419 0.355063498 14.0286999 -1.34249997 -0.5798000100 2.30999994 0.128127739 12.6358004 -1.195299980.259701 1.69000006 1.20199931 14.0331001 -1.50779998 1.0448000402 4.13057899 0.190115973 11.5333004 -3.92770004 0.7318000203 3.33352256 0.190115958 12.1848001 -2.83270001 1.7532000504 5.20865726 1.27272534 13.8232002-4.375 2.4181001205 4.81012869 0.582454145 12.3542995 -5.062300212.609206 7.19615221 3.28506351 13.2540998 -5.44369984 3.8821001107 9.54578018 2.77902079 14.4821997 -3.3204999 5.8477997808 8.75736523 3.03670192 13.7821999 -4.61819983 6.5496997809 13.2120066 1.66506362 14.8003998 -6.66230011 9.770400050: 13.2120066 -0.0669871569 11.7901001 -5.5222001110.460; 13.2120066 -1.79903793 9.9350996 -3.52670002 10.55329990< 4.13057899 3.14001107 15.1927004 -5.82229996 0.0790000036064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 Dc%WP44xc```d`مۋjK:?0 8i~ۄ* @-Hbe3b4d83-04e4-4fec-9d5c-7c2a101eb2be OSA$9e38d311-67c5-4107-a596-815d1793352f61 9.59200668 -1.7990379312.8687-0.4745 11.48980050 10.5920067 -1.79903793 12.3589001-0.963 10.14379980 11.0920067 -2.66506362 12.9413996 -0.0988000035 9.037400250 11.0920067 -0.933012605 12.7835999 -2.40779996 9.935000420 10.5920067 -0.0669871941 14.0017996 -2.66610003 9.314599990 11.0920067 0.799038231 14.4006996 -3.98399997 9.117899890 10.5920067 1.66506362 15.6735001 -4.2343998 8.469400410 11.0920067 2.53108883 16.6725998 -4.33290005 9.12670040 9.59200668 1.66506362 15.7365999 -4.36149979 7.073999880 9.00839806 0.860331237 16.9204998 -4.61399984 6.255700110 8.06217766 1.16506362 16.3771992 -5.3361001 5.034900190 7.19615221 0.66506356 16.9754009 -6.09670019 4.033500190 6.33012724 1.1650635 16.2278004 -6.61030006 2.977799890 6.33012724 2.16506362 14.8605003 -6.36819983 2.922199960 5.46410179 2.66506362 14.0403004 -6.92269993 1.769500020 4.59807634 2.16506362 14.0122995 -5.94089985 0.669000030 3.7320509 2.66506362 12.6879997 -5.86329985 0.03339999910 2.86602545 2.1650636211.809 -4.8348999 0.7333999870 2.86602545 1.1650635 12.3528004 -3.48740005 0.50980001702 0.6650635 11.9843998 -2.6315999 1.647600050 3.7320509 0.6650635 13.8079004 -3.52349997 0.3016000090 4.59807634 1.1650635 14.4359999 -4.61880016 1.152699950 7.19615221 2.66506362 14.2379999 -5.620200163.91310 8.06217766 2.16506362 15.0186005 -5.12459993 4.946800230 9.00839806 2.4697957 14.6211996 -4.26900005 6.132500170 12.0920067 0.799038231 13.5894003 -5.03350019 9.537899970 12.5920067 1.66506362 13.9561996 -6.32040024 9.357600210 12.5920067 -0.0669871718 12.3726997 -4.7677002 10.15789990 12.0920067 -0.933012605 11.9664001 -3.45149994 10.35779950 12.5920067 -1.79903793 10.7862997 -3.19370008 10.95909980 8.9720068 -1.79903793 13.8667002 -0.534799993 11.51019950 9.59200668 -1.17903793 12.5894003 0.47589999411.62710 9.59200668 -2.41903806 12.4855003 -1.0429999812.21770! 11.2120066 -1.79903793 11.3610001 -0.902700007 10.12339970" 11.4020071 -3.20199943 12.6059999 -0.42019999 8.151800160# 11.6289425 -2.35506368 12.6620998 0.851599991 9.174699780$ 10.5550709 -2.97506356 13.9393997 -0.159099996 9.057700160% 9.9720068 -0.0669871941 14.5847998 -1.91170001 9.012999530& 8.75736523 0.293425053 17.5755005 -5.18879986 6.746300220' 9.54578018 0.551106095 17.3612003 -3.75539994 5.993800160( 7.19615221 0.0450635627 17.9582005 -6.27689981 4.073599820) 5.79319143 0.855063617 16.6721001 -7.15059996 2.263299940* 5.06557369 3.14001107 14.4530001 -7.774199961.44610+ 5.86262989 3.14001107 13.1069002 -7.10169983 2.080399990, 3.33352256 3.14001107 12.2473001 -6.75960016 0.08420000230- 2.65397286 2.74767303 10.8807001 -4.88450003 0.3648999930. 2.25544453 2.05740166 11.7888002 -5.02699995 1.714599970/ 2.30999994 0.12812773912.3645 -3.0144999 2.4895999400 1.46306419 0.355063498 12.3500004 -1.711799981.50501 1.69000006 1.20199931 10.9882002 -2.586400031.72202 4.13057899 0.190115973 14.1999998 -2.6401999 0.55860000803 3.33352256 0.190115958 13.9988003 -3.70490003 -0.66310000404 5.20865726 1.27272534 15.4321003 -4.55019999 1.0974999705 4.81012869 0.582454145 14.1463003 -4.50610018 2.1031999606 7.19615221 3.28506351 13.2540998 -5.44369984 3.8821001107 9.54578018 2.77902079 14.4821997 -3.3204999 5.8477997808 8.75736523 3.03670192 13.7821999 -4.61819983 6.5496997809 13.2120066 1.66506362 14.8003998 -6.66230011 9.770400050: 13.2120066 -0.0669871569 11.7901001 -5.5222001110.460; 13.2120066 -1.79903793 9.9350996 -3.52670002 10.55329990< 4.13057899 3.14001107 12.7995996 -5.60059977 -0.925000012064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`K Oa@@px< 9U`*@- Dc%WP44xc```d`Yi%j5`Dk4mB{zNv" @-H44335391-dc31-4e60-a595-1b3d0bf5278c OSA$e2876ccc-fed8-4a77-9c81-09003095303361 9.59200668 -1.79903793 12.9124002 -0.350300014 11.40480040 10.5920067 -1.79903793 12.3851995 -0.846800029 10.06840040 11.0920067 -2.66506362 12.9315004 0.0276999995 8.951700210 11.0920067 -0.933012605 12.8303003 -2.28399992 9.850299840 10.5920067 -0.0669871941 14.0404997 -2.52130008 9.206299780 11.0920067 0.799038231 14.4577999 -3.83220005 9.00100040 10.5920067 1.66506362 15.7220001 -4.0605998 8.32779980 11.0920067 2.53108883 16.7350998 -4.14239979 8.965600010 9.59200668 1.66506362 15.7602997 -4.18580008 6.931399820 9.00839806 0.860331237 16.9323997 -4.41779995 6.090199950 8.06217766 1.16506362 16.3778992 -5.14839983 4.879499910 7.19615221 0.66506356 16.9696007 -5.89830017 3.866199970 6.33012724 1.1650635 16.2105999 -6.42399979 2.824700120 6.33012724 2.16506362 14.8386002 -6.2052002 2.795500040 5.46410179 2.66506362 14.0059004 -6.77299976 1.658400060 4.59807634 2.16506362 13.9399004 -5.79120016 0.5594999790 3.7320509 2.66506362 13.5492001 -4.46649981 1.063099980 2.86602545 2.1650636214.0892 -3.36109996 0.1684000050 2.86602545 1.1650635 15.5560999 -3.33909988 0.26300001102 0.6650635 16.0298004 -2.44519997 1.332000020 3.7320509 0.6650635 16.1170006 -4.6880002 0.4372999970 4.59807634 1.165063515.1987 -5.7171998 -0.2014999990 7.19615221 2.66506362 14.2227001 -5.46829987 3.798899890 8.06217766 2.16506362 15.0145998 -4.96010017 4.817800050 9.00839806 2.4697957 14.6255999 -4.11189985 6.011600020 12.0920067 0.799038231 13.6728001 -4.89550018 9.435700420 12.5920067 1.66506362 14.0578003 -6.17589998 9.247200010 12.5920067 -0.0669871718 12.4638996 -4.65070009 10.07919980 12.0920067 -0.933012605 12.0391998 -3.3417999710.28790 12.5920067 -1.79903793 10.8667002 -3.10430002 10.91199970 8.9720068 -1.7990379313.9115 -0.393700004 11.40579990 9.59200668 -2.41903806 12.6197004 0.595000029 11.54819970 9.59200668 -1.17903793 12.5530005 -0.925700009 12.13949970! 11.2120066 -1.79903793 11.3860998 -0.803499997 10.06729980" 11.6289425 -2.35506368 12.5846004 -0.298900008 8.072500230# 11.4020071 -3.20199943 12.6386995 0.973100007 9.09510040$ 10.5550709 -2.9750635613.9305 -0.0155999996 8.952699660% 9.9720068 -0.0669871941 14.6047001 -1.75689995 8.894200330& 9.54578018 0.551106095 17.6063995 -4.98150015 6.567599770' 8.75736523 0.293425053 17.3532009 -3.55159998 5.820600030( 7.19615221 0.0450635627 17.9559002 -6.06169987 3.887099980) 5.79319143 0.855063617 16.6502991 -6.95629978 2.10120010* 5.06557369 3.14001107 14.4266996 -7.6171999 1.326400040+ 5.86262989 3.14001107 13.0818005 -6.96799994 1.987100010, 3.33352256 3.14001107 13.9139996 -4.34709978 1.986500020- 2.25544453 2.05740166 13.8172998 -3.53379989 -0.7782999870. 2.65397286 2.74767303 13.7213001 -2.48000002 0.4654999970/ 2.30999994 0.128127739 15.6660995 -2.75440001 2.2107000400 1.46306419 0.355063498 17.0293007-2.4605 1.3609999401 1.69000006 1.20199931 15.7158003 -1.51320004 1.1507999902 4.13057899 0.190115973 16.2080994 -4.88549995 1.4134000503 3.33352256 0.190115958 17.0167007 -4.73159981 0.0030000000304 5.20865726 1.27272534 15.0026999 -5.44920015 -1.1447999505 4.81012869 0.582454145 15.6451998 -6.61189985 -0.19509999506 7.19615221 3.28506351 13.2356005 -5.30859995 3.7869999407 9.54578018 2.77902079 14.4650002 -3.16580009 5.7304000908 8.75736523 3.03670192 13.8008003 -4.47559977 6.4446001109 13.2120066 1.66506362 14.9154997 -6.50360012 9.643400190: 13.2120066 -0.0669871569 11.9000998 -5.41520023 10.39179990; 13.2120066 -1.79903793 10.0136003 -3.4516000710.52250< 4.13057899 3.14001107 12.5511999 -4.40789986 1.08889997064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`31  8i~ۄ*(@- Dc%WP44xc```d`ӷ`qx< 9U`Q @-Hb1d01319-c4ce-48ad-9c5a-2998e0df995a OSA$4681c83c-49ff-45ba-9ad9-55380cc9fdab61 9.59200668 -1.7990379312.8687-0.4745 11.48980050 10.5920067 -1.79903793 12.3589001-0.963 10.14379980 11.0920067 -2.66506362 12.9413996 -0.0988000035 9.037400250 11.0920067 -0.933012605 12.7835999 -2.40779996 9.935000420 10.5920067 -0.0669871941 14.0017996 -2.66610003 9.314599990 11.0920067 0.799038231 14.4006996 -3.98399997 9.117899890 10.5920067 1.66506362 15.6735001 -4.2343998 8.469400410 11.0920067 2.53108883 16.6725998 -4.33290005 9.12670040 9.59200668 1.66506362 15.7365999 -4.36149979 7.073999880 9.00839806 0.860331237 16.9204998 -4.61399984 6.255700110 8.06217766 1.16506362 16.3771992 -5.3361001 5.034900190 7.19615221 0.66506356 16.9754009 -6.09670019 4.033500190 6.33012724 1.1650635 16.2278004 -6.61030006 2.977799890 6.33012724 2.16506362 14.8605003 -6.36819983 2.922199960 5.46410179 2.66506362 14.0403004 -6.92269993 1.769500020 4.59807634 2.16506362 14.0122995 -5.94089985 0.669000030 4.59807634 1.1650635 12.8703003 -5.02650023 0.8115000130 3.7320509 0.6650635 13.3051996 -3.57340002 0.9018999930 2.86602545 1.165063514.1166 -3.22239995 -0.27390000202 0.6650635 14.6297998 -1.85020006-0.14350 2.86602545 2.16506362 15.2096004 -4.17840004 -0.5261999960 3.7320509 2.66506362 15.3023996 -5.24550009 0.5554000140 7.19615221 2.66506362 14.2379999 -5.620200163.91310 8.06217766 2.16506362 15.0186005 -5.12459993 4.946800230 9.00839806 2.4697957 14.6211996 -4.26900005 6.132500170 12.0920067 0.799038231 13.5894003 -5.03350019 9.537899970 12.5920067 1.66506362 13.9561996 -6.32040024 9.357600210 12.5920067 -0.0669871718 12.3726997 -4.7677002 10.15789990 12.0920067 -0.933012605 11.9664001 -3.45149994 10.35779950 12.5920067 -1.79903793 10.7862997 -3.19370008 10.95909980 9.59200668 -1.17903793 13.8667002 -0.534799993 11.51019950 9.59200668 -2.41903806 12.5894003 0.47589999411.62710 8.9720068 -1.79903793 12.4855003 -1.0429999812.21770! 11.2120066 -1.79903793 11.3610001 -0.902700007 10.12339970" 11.4020071 -3.20199943 12.6059999 -0.42019999 8.151800160# 11.6289425 -2.35506368 12.6620998 0.851599991 9.174699780$ 10.5550709 -2.97506356 13.9393997 -0.159099996 9.057700160% 9.9720068 -0.0669871941 14.5847998 -1.91170001 9.012999530& 8.75736523 0.293425053 17.5755005 -5.18879986 6.746300220' 9.54578018 0.551106095 17.3612003 -3.75539994 5.993800160( 7.19615221 0.0450635627 17.9582005 -6.27689981 4.073599820) 5.79319143 0.855063617 16.6721001 -7.15059996 2.263299940* 5.06557369 3.14001107 14.4530001 -7.774199961.44610+ 5.86262989 3.14001107 13.1069002 -7.10169983 2.080399990, 5.20865726 1.27272534 12.3689003 -5.26480007 1.643200040- 4.13057899 0.190115973 12.4963999 -2.98620009 0.9344999790. 3.33352256 0.19011595813.8476 -3.44009995 1.731400010/ 1.69000006 1.20199931 15.1962996 -1.78279996 0.67769998300 2.30999994 0.128127739 15.1793003-1.6221 -0.94730001701 1.46306419 0.355063498 13.8626003 -1.21270001 -0.072499997902 2.25544453 2.05740166 16.0743999 -3.67729998 -0.55900001503 2.65397286 2.74767303 15.0496998 -4.62529993 -1.4063999704 3.33352256 3.14001107 16.0158005 -5.90350008 0.31420001405 4.13057899 3.14001107 15.5275002 -4.815400121.429606 7.19615221 3.28506351 13.2540998 -5.44369984 3.8821001107 9.54578018 2.77902079 14.4821997 -3.3204999 5.8477997808 8.75736523 3.03670192 13.7821999 -4.61819983 6.5496997809 13.2120066 1.66506362 14.8003998 -6.66230011 9.770400050: 13.2120066 -0.0669871569 11.7901001 -5.5222001110.460; 13.2120066 -1.79903793 9.9350996 -3.52670002 10.55329990< 4.81012869 0.582454145 12.2707005 -5.13430023 0.0184000004064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`W>X߾FO&dW=a]@- Dc%WP44xc```d`\?0 8i~ۄ*4 D@-Hfaedf922-b586-400a-8741-98305e6ecca0 OSA$22ca2c67-7c4e-4e5c-a9ba-0364d8f3b53961 9.59200668 -1.7990379312.8687-0.4745 11.48980050 10.5920067 -1.79903793 12.3589001-0.963 10.14379980 11.0920067 -2.66506362 12.9413996 -0.0988000035 9.037400250 11.0920067 -0.933012605 12.7835999 -2.40779996 9.935000420 10.5920067 -0.0669871941 14.0017996 -2.66610003 9.314599990 11.0920067 0.799038231 14.4006996 -3.98399997 9.117899890 10.5920067 1.66506362 15.6735001 -4.2343998 8.469400410 11.0920067 2.53108883 16.6725998 -4.33290005 9.12670040 9.59200668 1.66506362 15.7365999 -4.36149979 7.073999880 9.00839806 0.860331237 16.9204998 -4.61399984 6.255700110 8.06217766 1.16506362 16.3771992 -5.3361001 5.034900190 7.19615221 0.66506356 16.9754009 -6.09670019 4.033500190 6.33012724 1.1650635 16.2278004 -6.61030006 2.977799890 6.33012724 2.16506362 14.8605003 -6.36819983 2.922199960 5.46410179 2.66506362 14.0403004 -6.92269993 1.769500020 4.59807634 2.16506362 14.0122995 -5.94089985 0.669000030 4.59807634 1.1650635 13.2091999 -4.75600004 1.008000020 3.7320509 0.6650635 14.0651999 -3.69709992 1.690999980 2.86602545 1.1650635 15.0427999 -3.16020012 0.73320001402 0.6650635 16.2318993 -2.70810008 1.471099970 2.86602545 2.16506362 15.3837004 -4.15100002 -0.2984000150 3.7320509 2.66506362 15.3802004 -5.553400040.29490 7.19615221 2.66506362 14.2379999 -5.620200163.91310 8.06217766 2.16506362 15.0186005 -5.12459993 4.946800230 9.00839806 2.4697957 14.6211996 -4.26900005 6.132500170 12.0920067 0.799038231 13.5894003 -5.03350019 9.537899970 12.5920067 1.66506362 13.9561996 -6.32040024 9.357600210 12.5920067 -0.0669871718 12.3726997 -4.7677002 10.15789990 12.0920067 -0.933012605 11.9664001 -3.45149994 10.35779950 12.5920067 -1.79903793 10.7862997 -3.19370008 10.95909980 8.9720068 -1.79903793 13.8667002 -0.534799993 11.51019950 9.59200668 -1.17903793 12.5894003 0.47589999411.62710 9.59200668 -2.41903806 12.4855003 -1.0429999812.21770! 11.2120066 -1.79903793 11.3610001 -0.902700007 10.12339970" 11.6289425 -2.35506368 12.6059999 -0.42019999 8.151800160# 11.4020071 -3.20199943 12.6620998 0.851599991 9.174699780$ 10.5550709 -2.97506356 13.9393997 -0.159099996 9.057700160% 9.9720068 -0.0669871941 14.5847998 -1.91170001 9.012999530& 9.54578018 0.551106095 17.5755005 -5.18879986 6.746300220' 8.75736523 0.293425053 17.3612003 -3.75539994 5.993800160( 7.19615221 0.0450635627 17.9582005 -6.27689981 4.073599820) 5.79319143 0.855063617 16.6721001 -7.15059996 2.263299940* 5.06557369 3.14001107 14.4530001 -7.774199961.44610+ 5.86262989 3.14001107 13.1069002 -7.10169983 2.080399990, 5.20865726 1.2727253412.4698 -5.026899811.62430- 4.13057899 0.190115973 13.4792004 -2.95619988 2.019000050. 3.33352256 0.190115958 14.5480003 -4.10760021 2.464499950/ 2.30999994 0.128127739 16.6312008 -3.48029995 1.9651999500 1.46306419 0.355063498 16.9036999 -2.34069991 0.82789999201 1.69000006 1.20199931 15.9694004-1.9957 2.1219999802 2.25544453 2.05740166 16.2929001 -3.94889998 -0.66229999103 2.65397286 2.74767303 14.7109003 -4.10330009 -1.0367000104 3.33352256 3.14001107 15.7335997 -6.19950008 -0.38159999305 4.13057899 3.14001107 15.9624996 -5.57000017 1.1076999906 7.19615221 3.28506351 13.2540998 -5.44369984 3.8821001107 9.54578018 2.77902079 14.4821997 -3.3204999 5.8477997808 8.75736523 3.03670192 13.7821999 -4.61819983 6.5496997809 13.2120066 1.66506362 14.8003998 -6.66230011 9.770400050: 13.2120066 -0.0669871569 11.7901001 -5.5222001110.460; 13.2120066 -1.79903793 9.9350996 -3.52670002 10.55329990< 4.81012869 0.582454145 12.8211002 -4.372700210.1699064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`70  8i~ۄ*n@- Dc%WP44xc```d`ɵ[w, o_yms@-Hb7998da2-ea97-4180-9728-2e4979d96c0d OSA$1a525eb9-52b8-4709-9da4-eadf87333e1961 9.59200668 -1.79903793 11.5010004 -0.756399989 11.48400020 10.5920067 -1.79903793 11.5651999 -1.34519994 10.08419990 11.0920067 -2.66506362 12.3311996 -0.400999993 9.171999930 11.0920067 -0.933012605 12.2734003 -2.68959999 10.13179970 10.5920067 -0.0669871941 13.4380999 -2.86109996 9.390399930 11.0920067 0.799038231 14.0945997 -4.08690023 9.425999640 10.5920067 1.66506362 15.3071003 -4.24760008 8.646800040 11.0920067 2.53108883 16.3724995 -3.98850012 9.134400370 9.59200668 1.66506362 15.2346001 -4.70590019 7.323100090 9.00839806 0.860331237 14.1429005 -4.50990009 6.371799950 8.06217766 1.16506362 14.8260002 -4.54349995 5.01560020 7.19615221 0.66506356 14.4331999 -4.1427002 3.741100070 6.33012724 1.1650635 15.2587996 -4.3428998 2.638600110 6.33012724 2.16506362 16.4990005 -4.9460001 2.809200050 5.46410179 2.66506362 17.4023991 -5.1711998 1.608299970 4.59807634 2.16506362 18.2756004 -3.99679995 1.422899960 4.59807634 1.1650635 18.9368992 -3.63109994 2.684299950 3.7320509 0.6650635 19.8568993 -2.43980002 2.470099930 2.86602545 1.1650635 19.1039009 -1.29849994 1.9292000502 0.6650635 19.9815998 -0.127599999 1.750399950 2.86602545 2.1650636218.4459 -1.66949999 0.6675999760 3.7320509 2.66506362 17.5216999 -2.85800004 0.8783000110 7.19615221 2.66506362 16.9183006 -5.34689999 4.071199890 8.06217766 2.16506362 16.0653992 -5.13129997 5.143300060 9.00839806 2.4697957 16.2451992 -5.48280001 6.606200220 12.0920067 0.799038231 13.5914001 -5.13100004 10.19579980 12.5920067 1.66506362 14.2117004 -6.32929993 10.24549960 12.5920067 -0.0669871718 12.4264002 -4.95219994 10.93490030 12.0920067 -0.933012605 11.7635002 -3.72869992 10.90400030 12.5920067 -1.79903793 10.6336002 -3.5553998911.62080 9.59200668 -2.41903806 12.4287004 -0.632200003 11.83619980 9.59200668 -1.17903793 11.0352001 0.127900004 11.45269970 8.9720068 -1.79903793 10.9969997 -1.37759995 12.08409980! 11.2120066 -1.79903793 10.6374998 -1.46949995 9.732000350" 11.6289425 -2.35506368 12.3733997 -0.788399994 8.25100040# 11.4020071 -3.20199943 11.86530020.4833 9.14060020$ 10.5550709 -2.97506356 13.2588997 -0.276800007 9.524200440% 9.9720068 -0.0669871941 13.7996998 -2.1105001 8.837400440& 9.54578018 0.55110609513.6945 -3.62890005 6.521999840' 8.75736523 0.293425053 13.4687004 -5.24450016 6.448299880( 7.19615221 0.0450635627 13.5433998 -3.70379996 3.615999940) 5.79319143 0.855063617 14.9610004 -4.05420017 1.728600030* 5.06557369 3.14001107 17.9647007 -5.9836998 1.761800050+ 5.86262989 3.14001107 16.8426991 -5.30280018 0.7901999950, 5.20865726 1.27272534 19.4740009 -4.40810013 3.012799980- 4.13057899 0.190115973 20.2667007 -2.17919993 3.344300030. 3.33352256 0.190115958 20.5786991 -2.69300008 1.825899960/ 2.30999994 0.128127739 20.718399 -0.357300013 1.1145000500 1.46306419 0.355063498 19.4493008 0.634800017 1.3824000401 1.69000006 1.20199931 20.3722992 0.1340000032.632902 2.25544453 2.05740166 19.1424007 -1.91009998-0.0085000004603 2.65397286 2.74767303 17.9120007 -0.892499983 0.33399999104 3.33352256 3.14001107 16.7978001 -2.60389996 1.5197000505 4.13057899 3.14001107 17.1147995 -3.11940002 0.0030000000306 7.19615221 3.2850635117.8104 -5.77909994 4.2030000707 8.75736523 3.03670192 16.1005001 -6.46169996 6.7505998608 9.54578018 2.77902079 17.1625996 -5.2322998 6.9155001609 13.2120066 1.6650636214.1489 -6.89099979 11.07050040: 13.2120066 -0.066987156912.0653 -5.70270014 11.48830030; 13.2120066 -1.79903793 9.74499989 -3.76220012 11.21129990< 4.81012869 0.58245414518.243 -3.39429998 3.36420012064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`UzR?k4mB{zNv,@- Dc%WP44xc```d`QH`Dk4mB{zNv8 @-He20d4ffe-ca05-43cd-a034-20413b84ce5c OSA$04a3ca40-8e32-4589-8240-ae3048651bc961 9.59200668 -1.79903793 13.6969995 0.966400027 9.665800090 10.5920067 -1.79903793 12.9488001 0.0918999985 8.673000340 11.0920067 -2.66506362 13.5453997 0.274500012 7.286900040 11.0920067 -0.933012605 13.0703001 -1.36520004 9.089099880 10.5920067 -0.0669871941 14.1365995 -2.11509991 8.603099820 11.0920067 0.799038231 14.2579002 -3.44950008 8.976699830 10.5920067 1.66506362 15.3755999 -4.21589994 8.460499760 11.0920067 2.53108883 16.1669998 -4.70679998 9.217200280 9.59200668 1.66506362 15.5317001 -4.38320017 7.076600070 9.00839806 0.860331237 16.5867004 -5.11780024 6.382100110 8.06217766 1.16506362 15.9295998 -5.57270002 5.090499880 7.19615221 0.66506356 16.2649002-6.5309 4.137199880 6.33012724 1.1650635 15.4912996 -6.70839977 2.993900060 6.33012724 2.16506362 14.3611002 -5.92339993 2.799999950 5.46410179 2.66506362 13.5156002 -6.11000013 1.551399950 4.59807634 2.16506362 13.5987997 -7.5138998 1.106400010 4.59807634 1.1650635 14.7196999 -7.67560005 0.1685999930 3.7320509 0.6650635 14.7159996 -9.06809998 -0.4431000050 2.86602545 1.1650635 13.7550001 -9.94279957 0.24529999502 0.6650635 13.7952995 -11.3044996 -0.3070999980 2.86602545 2.16506362 12.4006996 -9.39960003 0.0635000020 3.7320509 2.66506362 12.3353004 -7.93989992 0.4860999880 7.19615221 2.66506362 13.9996996 -4.96680021 3.739900110 8.06217766 2.16506362 14.7981005 -4.8197999 4.864399910 9.00839806 2.469795714.6636 -3.85479999 6.024899960 12.0920067 0.799038231 13.3219995 -4.02829981 9.828300480 12.5920067 1.66506362 13.4195995 -5.32140017 10.20429990 12.5920067 -0.066987171812.2584 -3.27220011 10.31060030 12.0920067 -0.933012605 12.1300001 -1.93649995 9.940799710 12.5920067 -1.7990379311.0983-1.2033 10.40849970 9.59200668 -1.17903793 14.6617002 0.703400016 9.680800440 8.9720068 -1.79903793 13.6170998 1.92490005 9.392100330 9.59200668 -2.41903806 13.3044996 0.846300006 10.57769970! 11.2120066 -1.79903793 11.9841003 0.354999989 8.657899860" 11.4020071 -3.20199943 13.0530996 -0.300799996 6.633699890# 11.6289425 -2.35506368 13.4653997 1.23300004 7.013199810$ 10.5550709 -2.97506356 14.5100002 0.0114000002 7.301899910% 9.9720068 -0.0669871941 14.8093004 -1.69889998 7.991300110& 8.75736523 0.293425053 16.8882008 -5.90299988 6.922999860' 9.54578018 0.551106095 17.3682995 -4.52339983 6.192999840( 7.19615221 0.0450635627 17.0748005 -7.1006999 4.276500230) 5.79319143 0.855063617 15.7475004 -7.39709997 2.315599920* 5.06557369 3.1400110712.5639 -5.88100004 1.756000040+ 5.86262989 3.14001107 13.8542995 -5.50990009 0.8266999720, 5.20865726 1.27272534 15.5799999 -7.53520012 0.6586999890- 4.13057899 0.190115973 14.4636002-9.0007 -1.408400060. 3.33352256 0.190115958 15.6316004 -9.4623003 -0.364699990/ 1.46306419 0.355063498 14.7137003 -11.6835003 -0.19300000400 1.69000006 1.20199931 13.1350002 -11.8797998 0.17560000701 2.30999994 0.128127739 13.5647001 -11.2765999 -1.2798000602 2.65397286 2.7476730311.7591 -9.92940044 0.61820000403 2.25544453 2.05740166 12.1464005 -9.47220039 -0.90090000604 3.33352256 3.14001107 12.1590996 -7.37389994 -0.31920000905 4.13057899 3.14001107 11.5918999 -7.82320023 1.1447999506 7.19615221 3.28506351 13.1864004 -4.39979982 3.6094999307 9.54578018 2.77902079 14.9605999 -2.93919992 5.7540001908 8.75736523 3.03670192 13.7153997 -3.81789994 6.3403000809 13.2120066 1.66506362 12.7356005 -5.71689987 10.81719970: 13.2120066 -0.0669871569 11.5861998 -3.68840003 10.92290020; 13.2120066 -1.79903793 10.9839001 -1.07229996 11.39330010< 4.81012869 0.582454145 14.6372004 -6.99679995 -0.561100006064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`˶ˀ,o_yms7+@- Dc%WP44xc```d`J ?0 8i~ۄ* @-H5ae5a4bd-496c-4f3f-be86-eebcc5565668 OSA$1bac8ac2-b0b7-4b3c-8060-d9625a848c1d61 9.59200668 -1.79903793 11.8922997 -0.738300025 11.44159980 10.5920067 -1.79903793 12.0914001 -1.02869999 9.962900160 11.0920067 -2.66506362 13.0641003 -0.0195000004 9.374899860 11.0920067 -0.933012605 12.6521997 -2.43149996 9.793000220 10.5920067 -0.0669871941 13.8858004 -2.58990002 9.169500350 11.0920067 0.799038231 14.4088001 -3.86870003 9.008099560 10.5920067 1.66506362 15.6957998 -4.01490021 8.355899810 11.0920067 2.53108883 16.7038002 -3.99690008 9.006699560 9.59200668 1.66506362 15.7623997 -4.17729998 6.964300160 9.00839806 0.860331237 16.7724991 -4.9060998 6.200399880 8.06217766 1.16506362 16.0345001 -5.35909986 4.952499870 7.19615221 0.66506356 16.3104992 -6.313099863.97630 6.33012724 1.1650635 15.4651003 -6.48979998 2.884900090 6.33012724 2.16506362 14.3220997 -5.70809984 2.767299890 5.46410179 2.66506362 13.3979998 -5.89370012 1.575500010 4.59807634 2.16506362 13.4568005 -7.29589987 1.121299980 3.7320509 2.6650636214.5063 -7.4921999 0.1084999960 2.86602545 2.16506362 14.5120001 -8.91349983 -0.4377000030 2.86602545 1.1650635 13.5390997 -9.76879978 0.25960001302 0.6650635 13.5803003 -11.1436996 -0.2630999980 3.7320509 0.6650635 12.1894999 -9.19410038 0.1515000020 4.59807634 1.1650635 12.1554003 -7.73839998 0.5965999960 7.19615221 2.66506362 14.0193005 -4.75579977 3.731899980 8.06217766 2.16506362 14.8882999 -4.60949993 4.802800180 9.00839806 2.4697957 14.8261995-3.6487 5.972799780 12.0920067 0.799038231 13.7051001 -4.97819996 9.466099740 12.5920067 1.66506362 14.1932001 -6.22879982 9.320400240 12.5920067 -0.0669871718 12.4722996 -4.81220007 10.08889960 12.0920067 -0.933012605 11.9420996 -3.53579998 10.25360010 12.5920067 -1.79903793 10.7462997 -3.37470007 10.85760020 9.59200668 -2.41903806 12.7700996 -0.80599999411.91570 8.9720068 -1.79903793 11.5234003 0.184499994 11.55329990 9.59200668 -1.17903793 11.2524004 -1.40219998 11.82839970! 11.2120066 -1.79903793 11.2136002 -0.960900009 9.488699910" 11.6289425 -2.35506368 13.1950998 -0.210500002 8.402099610# 11.4020071 -3.2019994312.6952 0.903299987 9.486599920$ 10.5550709 -2.97506356 13.9419003 -0.0872000009 9.848999980% 9.9720068 -0.0669871941 14.3915005-1.7924 8.840600010& 9.54578018 0.551106095 17.1110001 -5.69189978 6.717999940' 8.75736523 0.293425053 17.5382004 -4.30830002 5.962999820( 7.19615221 0.0450635627 17.1296005 -6.88059998 4.060900210) 5.79319143 0.855063617 15.6788998 -7.17549992 2.189199920* 5.06557369 3.14001107 12.4608002 -5.66870022 1.842200040+ 5.86262989 3.14001107 13.6871004 -5.29020023 0.8324000240, 3.33352256 3.14001107 15.3957996 -7.30229998 0.5241000060- 2.25544453 2.05740166 14.2819996 -8.88759995 -1.410500050. 2.65397286 2.7476730315.4263 -9.30150032 -0.3215000030/ 1.46306419 0.35506349814.4958 -11.5235004-0.130300 1.69000006 1.20199931 12.9123001 -11.7058001 0.22439999901 2.30999994 0.128127739 13.3608999-11.1362 -1.2387000302 4.13057899 0.190115973 11.5657997 -9.72299957 0.72710001503 3.33352256 0.190115958 11.8903999 -9.24800014 -0.80119997304 5.20865726 1.2727253411.9108 -7.16639996 -0.18629999505 4.81012869 0.58245414511.4656 -7.63530016 1.3133000106 7.19615221 3.2850635113.1973 -4.19119978 3.6563999707 8.75736523 3.03670192 15.1020002 -2.73119998 5.686299808 9.54578018 2.7790207913.9003 -3.61610007 6.3491997709 13.2120066 1.66506362 15.0690002 -6.47520018 9.735500340: 13.2120066 -0.066987156911.967 -5.60979986 10.41829970; 13.2120066 -1.79903793 9.92879963 -3.80019999 10.46949960< 4.13057899 3.14001107 14.3487997 -6.85640001 -0.647099972064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`/r^hc@@px< 9U`I@- Dc%WP44xc```d`vOj?`qx< 9U`a@-H664ea76e-781b-48c0-aca6-55d97519cc10 OSA$53e3a3c7-a4ec-4998-b2bc-0f5527a5424f61 9.59200668 -1.79903793 11.8922997 -0.738300025 11.44159980 10.5920067 -1.79903793 12.0914001 -1.02869999 9.962900160 11.0920067 -2.66506362 13.0641003 -0.0195000004 9.374899860 11.0920067 -0.933012605 12.6521997 -2.43149996 9.793000220 10.5920067 -0.0669871941 13.8858004 -2.58990002 9.169500350 11.0920067 0.799038231 14.4088001 -3.86870003 9.008099560 10.5920067 1.66506362 15.6957998 -4.01490021 8.355899810 11.0920067 2.53108883 16.7038002 -3.99690008 9.006699560 9.59200668 1.66506362 15.7623997 -4.17729998 6.964300160 9.00839806 0.860331237 16.7724991 -4.9060998 6.200399880 8.06217766 1.16506362 16.0345001 -5.35909986 4.952499870 7.19615221 0.66506356 16.3104992 -6.313099863.97630 6.33012724 1.1650635 15.4651003 -6.48979998 2.884900090 6.33012724 2.16506362 14.3220997 -5.70809984 2.767299890 5.46410179 2.66506362 13.3979998 -5.89370012 1.575500010 4.59807634 2.16506362 13.9309998 -6.95489979 0.7005000110 3.7320509 2.66506362 13.8100996 -8.2723999 1.341400030 2.86602545 2.16506362 13.7145996 -9.37870026 0.3016999960 2.86602545 1.1650635 12.4475002 -9.24209976 -0.43119999802 0.6650635 11.3564997 -10.00160030.20070 3.7320509 0.665063512.059 -7.83339977 -0.6015999910 4.59807634 1.1650635 13.2987003 -6.95410013 -0.6295999880 7.19615221 2.66506362 14.0193005 -4.75579977 3.731899980 8.06217766 2.16506362 14.8882999 -4.60949993 4.802800180 9.00839806 2.4697957 14.8261995-3.6487 5.972799780 12.0920067 0.799038231 13.7051001 -4.97819996 9.466099740 12.5920067 1.66506362 14.1932001 -6.22879982 9.320400240 12.5920067 -0.0669871718 12.4722996 -4.81220007 10.08889960 12.0920067 -0.933012605 11.9420996 -3.53579998 10.25360010 12.5920067 -1.79903793 10.7462997 -3.37470007 10.85760020 8.9720068 -1.79903793 12.7700996 -0.80599999411.91570 9.59200668 -2.41903806 11.5234003 0.184499994 11.55329990 9.59200668 -1.17903793 11.2524004 -1.40219998 11.82839970! 11.2120066 -1.79903793 11.2136002 -0.960900009 9.488699910" 11.6289425 -2.35506368 13.1950998 -0.210500002 8.402099610# 11.4020071 -3.2019994312.6952 0.903299987 9.486599920$ 10.5550709 -2.97506356 13.9419003 -0.0872000009 9.848999980% 9.9720068 -0.0669871941 14.3915005-1.7924 8.840600010& 9.54578018 0.551106095 17.1110001 -5.69189978 6.717999940' 8.75736523 0.293425053 17.5382004 -4.30830002 5.962999820( 7.19615221 0.0450635627 17.1296005 -6.88059998 4.060900210) 5.79319143 0.855063617 15.6788998 -7.17549992 2.189199920* 5.86262989 3.14001107 12.4872999 -6.15290022 1.897099970+ 5.06557369 3.14001107 13.3390999 -5.03709984 1.062800050, 3.33352256 3.14001107 12.9870005 -8.28549957 1.909100060- 2.25544453 2.05740166 14.4805002 -9.30490017 -0.3370000120. 2.65397286 2.74767303 13.7442999 -10.2688999 0.7562999730/ 2.30999994 0.128127739 11.2143002 -9.66800022 1.1325999500 1.69000006 1.20199931 10.5165005 -9.8810997 -0.32829999901 1.46306419 0.355063498 11.5974998 -10.97179990.227102 3.33352256 0.190115958 11.4734001 -7.556600090.160203 4.13057899 0.190115973 11.5592003 -7.72910023 -1.4614000304 5.20865726 1.27272534 13.9441996 -7.30929995 -1.3056999405 4.81012869 0.58245414513.0393 -6.01999998 -0.87480002606 7.19615221 3.2850635113.1973 -4.19119978 3.6563999707 8.75736523 3.03670192 15.1020002 -2.73119998 5.686299808 9.54578018 2.7790207913.9003 -3.61610007 6.3491997709 13.2120066 1.66506362 15.0690002 -6.47520018 9.735500340: 13.2120066 -0.066987156911.967 -5.60979986 10.41829970; 13.2120066 -1.79903793 9.92879963 -3.80019999 10.46949960< 4.13057899 3.14001107 14.6134005 -8.43169975 1.91540003064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`Y b@@px< 9U`)-@- Dc%WPHNxc```d` ``XX!!!Ai E7=oО]@-Hf6c780be-f1b3-479f-b62d-b999ce1b49da OSA$a8441e5f-7ce0-447c-bf00-75708a1b45d461 9.59200668 -1.79903793 11.8922997 -0.738300025 11.44159980 10.5920067 -1.79903793 12.0914001 -1.02869999 9.962900160 11.0920067 -2.66506362 13.0641003 -0.0195000004 9.374899860 11.0920067 -0.933012605 12.6521997 -2.43149996 9.793000220 10.5920067 -0.0669871941 13.8858004 -2.58990002 9.169500350 11.0920067 0.799038231 14.4088001 -3.86870003 9.008099560 10.5920067 1.66506362 15.6957998 -4.01490021 8.355899810 11.0920067 2.53108883 16.7038002 -3.99690008 9.006699560 9.59200668 1.66506362 15.7623997 -4.17729998 6.964300160 9.00839806 0.860331237 16.7724991 -4.9060998 6.200399880 8.06217766 1.16506362 16.0345001 -5.35909986 4.952499870 7.19615221 0.66506356 16.3104992 -6.313099863.97630 6.33012724 1.1650635 15.4651003 -6.48979998 2.884900090 6.33012724 2.16506362 14.3220997 -5.70809984 2.767299890 5.46410179 2.66506362 13.3979998 -5.89370012 1.575500010 4.59807634 2.16506362 13.4568005 -7.29589987 1.121299980 4.59807634 1.1650635 12.1210003 -7.78170013 0.7450000050 3.7320509 0.6650635 12.1764002 -9.1885004 0.1649000050 2.86602545 1.1650635 13.5314999 -9.75679970.210402 0.6650635 13.5530996 -11.1223001 -0.3389999870 2.86602545 2.16506362 14.4205999 -8.86410046 -0.5482000110 3.7320509 2.66506362 14.4019003 -7.44460011 0.003100000090 7.19615221 2.66506362 14.0193005 -4.75579977 3.731899980 8.06217766 2.16506362 14.8882999 -4.60949993 4.802800180 9.00839806 2.4697957 14.8261995-3.6487 5.972799780 12.0920067 0.799038231 13.7051001 -4.97819996 9.466099740 12.5920067 1.66506362 14.1932001 -6.22879982 9.320400240 12.5920067 -0.0669871718 12.4722996 -4.81220007 10.08889960 12.0920067 -0.933012605 11.9420996 -3.53579998 10.25360010 12.5920067 -1.79903793 10.7462997 -3.37470007 10.85760020 8.9720068 -1.79903793 12.7700996 -0.80599999411.91570 9.59200668 -1.17903793 11.5234003 0.184499994 11.55329990 9.59200668 -2.41903806 11.2524004 -1.40219998 11.82839970! 11.2120066 -1.79903793 11.2136002 -0.960900009 9.488699910" 11.4020071 -3.20199943 13.1950998 -0.210500002 8.402099610# 11.6289425 -2.3550636812.6952 0.903299987 9.486599920$ 10.5550709 -2.97506356 13.9419003 -0.0872000009 9.848999980% 9.9720068 -0.0669871941 14.3915005-1.7924 8.840600010& 8.75736523 0.293425053 17.1110001 -5.69189978 6.717999940' 9.54578018 0.551106095 17.5382004 -4.30830002 5.962999820( 7.19615221 0.0450635627 17.1296005 -6.88059998 4.060900210) 5.79319143 0.855063617 15.6788998 -7.17549992 2.189199920* 5.06557369 3.14001107 12.4608002 -5.66870022 1.842200040+ 5.86262989 3.14001107 13.6871004 -5.29020023 0.8324000240, 5.20865726 1.27272534 11.7323999 -7.16419983 0.06109999870- 4.13057899 0.190115973 11.5626001 -9.77760029 0.6905000210. 3.33352256 0.19011595811.8729 -9.15600014 -0.7872999910/ 2.30999994 0.128127739 13.2462997 -11.1036997 -1.2905999400 1.46306419 0.355063498 14.4843998 -11.4841003 -0.29609999101 1.69000006 1.20199931 12.9434004 -11.7068005 0.19650000302 2.25544453 2.0574016614.1222 -8.84459972 -1.5024000403 2.65397286 2.74767303 15.3543997-9.2184 -0.49810001304 3.33352256 3.14001107 15.3198996 -7.21140003 0.32400000105 4.13057899 3.14001107 14.1356001 -6.81799984 -0.72930002206 7.19615221 3.2850635113.1973 -4.19119978 3.6563999707 9.54578018 2.77902079 15.1020002 -2.73119998 5.686299808 8.75736523 3.0367019213.9003 -3.61610007 6.3491997709 13.2120066 1.66506362 15.0690002 -6.47520018 9.735500340: 13.2120066 -0.066987156911.967 -5.60979986 10.41829970; 13.2120066 -1.79903793 9.92879963 -3.80019999 10.46949960< 4.81012869 0.582454145 11.5380001 -7.78879976 1.55739999064              !" #!$"%#&$'%( &) '* (+ ),*-+.,/-0.1/2031425364758697:8;9<:=;><?20 ^Q$Fó;G&34xc```d`7,n~d@@px< 9U`4(@- Dc%WPHNxc```d` ``XX!!!Ai E7=oО]@-H21ce0e40-8c7a-4718-8bf2-5069a858d14eHbe3b4d83-04e4-4fec-9d5c-7c2a101eb2beK`A= Onalespib Dc%WP@r}t?ó[HNɊp?CardViewStates~GGDefault@`@f@^@XMS Shell Dlg 22@X@^@4MS Shell Dlg 22logS@]@^@4MS Shell Dlg 22logS @ pH7.4@a@^@4MS Shell Dlg 22logP@^@S$D MS Shell Dlg 22@S$D @^@SۻvMS Shell Dlg 22@`@f@\@1333333MS Shell Dlg 22n of N (--%)@1333333@\@Q׈rMS Shell Dlg 22@V$U?@\@Q۪yYIMS Shell Dlg 22logSDefault7FJ^{ʩSQLast State?<y 22 serialization::archive 11 0 1 1 18 CVGridLayoutEngine 1 0 0 0 0 3.60000000000000000e+001 2.88000000000000000e+002 1.35900000000000000e+003 -1.00000000000000000e+000 1.56697459584295620e+000 1Wo8 5⋅fAyЮCF Secondary Amines2 Secondary AminesVID'OB@{lq!:BJS\VID<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> P̑LOYi SMILESA<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <RemoveSalts>1</RemoveSalts> <UseFileDiagramCoords>True</UseFileDiagramCoords> <CombineConformers>False</CombineConformers> </Rule> </Rule> ʹu4O}Fragment1_0:rN<RulesList> <Rule> <Column>Fragment1_0</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Index="0" Name="1"/> <Category Index="1" Name="2"/> <Category Index="2" Name="3"/> <Category Index="3" Name="4"/> <Category Index="4" Name="5"/> <Category Index="5" Name="6"/> <Category Index="6" Name="7"/> <Category Index="7" Name="8"/> <Category Index="8" Name="9"/> <Category Index="9" Name="10"/> <Category Index="10" Name="11"/> <Category Index="11" Name="12"/> <Category Index="12" Name="13"/> <Category Index="13" Name="14"/> <Category Index="14" Name="15"/> <Category Index="15" Name="16"/> <Category Index="16" Name="17"/> <Category Index="17" Name="18"/> <Category Index="18" Name="19"/> <Category Index="19" Name="20"/> <Category Index="20" Name="21"/> <Category Index="21" Name="22"/> <Category Index="22" Name="23"/> <Category Index="23" Name="24"/> <Category Index="24" Name="25"/> <Category Index="25" Name="26"/> <Category Index="26" Name="27"/> <Category Index="27" Name="28"/> <Category Index="28" Name="29"/> <Category Index="29" Name="30"/> <Category Index="30" Name="31"/> <Category Index="31" Name="32"/> <Category Index="32" Name="33"/> <Category Index="33" Name="34"/> <Category Index="34" Name="35"/> <Category Index="35" Name="36"/> <Category Index="36" Name="37"/> <Category Index="37" Name="38"/> <Category Index="38" Name="39"/> <Category Index="39" Name="40"/> <Category Index="40" Name="41"/> <Category Index="41" Name="42"/> <Category Index="42" Name="43"/> <Category Index="43" Name="44"/> <Category Index="44" Name="45"/> <Category Index="45" Name="46"/> <Category Index="46" Name="47"/> <Category Index="47" Name="48"/> <Category Index="48" Name="49"/> <Category Index="49" Name="50"/> <Category Index="50" Name="51"/> <Category Index="51" Name="52"/> <Category Index="52" Name="53"/> <Category Index="53" Name="54"/> <Category Index="54" Name="55"/> <Category Index="55" Name="56"/> <Category Index="56" Name="57"/> <Category Index="57" Name="58"/> <Category Index="58" Name="59"/> <Category Index="59" Name="60"/> <Category Index="60" Name="61"/> <Category Index="61" Name="62"/> <Category Index="62" Name="63"/> <Category Index="63" Name="64"/> <Category Index="64" Name="65"/> <Category Index="65" Name="66"/> <Category Index="66" Name="67"/> <Category Index="67" Name="68"/> <Category Index="68" Name="69"/> <Category Index="69" Name="70"/> <Category Index="70" Name="71"/> <Category Index="71" Name="72"/> <Category Index="72" Name="73"/> <Category Index="73" Name="74"/> <Category Index="74" Name="75"/> <Category Index="75" Name="76"/> <Category Index="76" Name="77"/> <Category Index="77" Name="78"/> <Category Index="78" Name="79"/> <Category Index="79" Name="80"/> <Category Index="80" Name="81"/> <Category Index="81" Name="82"/> <Category Index="82" Name="83"/> <Category Index="83" Name="84"/> <Category Index="84" Name="85"/> <Category Index="85" Name="86"/> <Category Index="86" Name="87"/> <Category Index="87" Name="88"/> <Category Index="88" Name="89"/> <Category Index="89" Name="90"/> <Category Index="90" Name="91"/> <Category Index="91" Name="92"/> <Category Index="92" Name="93"/> <Category Index="93" Name="94"/> <Category Index="94" Name="95"/> </Categories> </Rule> </RulesList> <׵CMWT<RulesList> <Rule> <Column>MWT</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> [[DD̍WiMFB<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> /|GaC V" Price22<RulesList> <Rule> <Column>Price</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> 'OB@{CurrencyF<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> )3˙FWd-Ͼ(UQuantityd<RulesList> <Rule> <Column>Quantity</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> V570G5ҊUI UnitsG<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> McK}RA eMolecules URL<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> !i_yc@e ,eMolecules Product URL2d<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> e1\@,WCAS<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> NƳE?B}Chemical Names2<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> Y*LH{,Supplier Namedd<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> jfm@} OSupplier ID22<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> A@*̟ŗMFCD<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> ^GP~ܛrTier<RulesList> <Rule> <Column>Tier</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>0</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> 뒣Am`$v Status!<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> xvJ`iCatalog Number~R<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> 'b$LFUV jfm@} O1391NƳE?B}96-(piperidin-4-yl)-6-azaspiro[2.5]octane, IMED2683049917^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114589253)3˙FWd-Ͼ(U?/|GaC V"@<׵C@hJA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114589253Y*LH{,Intermed - BB[[DD̍Wi C12H22N2e1\@,Wʹu4O}1?8 OSA$6bf5876c-542f-491c-bba2-587ab3775e2636N1 2.86602497 2.623013020C22 2.123013020C32 1.123013020C4 2.86602497 0.6230127220C5 3.7320509 1.123013020C6 3.7320509 2.123013020N7 2.86602497 -0.3769873080C8 3.7320509 -0.8769872780 C9 3.7320509 -1.876986980 C10 2.86602497 -2.376986980 C112 -1.876986980 C122 -0.8769872780 C13 3.36602497 -3.243012910C14 2.36602497 -3.243012910H15 2.86602497 3.243012910H16 1.78794801 2.705621960H17 1.38941896 2.015351060H18 1.38941896 1.230674980H19 1.78794801 0.5404031870H20 3.40296102 0.3130126890H213.944103 0.5404031870H22 4.34263182 1.230674980H23 4.34263182 2.015351060H243.944103 2.705621960H25 4.34263182 -0.9846491220H263.944103 -0.2943778040H273.944103 -2.459597110H28 4.34263182 -1.769325020H29 1.38941896 -1.769325020H30 1.78794801 -2.459597110H31 1.78794801 -0.2943778040 H32 1.38941896 -0.9846491220!H33 3.47368693 -3.853594060"H34 3.9486351 -3.030960080#H35 1.78341603 -3.030960080$H36 2.25836301 -3.85359406038               ! " # !$ "% #&003501234522232021678910113031282912133435323326272425191718151637011223344505522523420421366778899101011611113011311028102991212139131334133512321233826827724725319217218115116V570G5ҊUIgxvJ`iIMED2683049917q!:BJS\ 114589253뒣Am`$v nonpreferred'OB@{USDP̑LOYi0N1CCC(CC1)N1CCC2(CC1)CC2OSA$6bf5876c-542f-491c-bba2-587ab3775e2636N1 2.86602545 2.623012780C22 2.123012780C32 1.123012660C4 2.86602545 0.6230127220C5 3.7320509 1.123012660C6 3.7320509 2.123012780N7 2.86602545 -0.3769873080C8 3.7320509 -0.8769872780C9 3.7320509 -1.876987340 C10 2.86602545 -2.376987220 C112 -1.876987340 C122 -0.8769872780 C13 3.36602545 -3.243012670 C14 2.36602545 -3.243012670H15 2.86602545 3.243012670H16 1.78794754 2.70562220H17 1.3894192 2.015350820H18 1.3894192 1.230674510H19 1.78794754 0.5404032470H20 3.40296125 0.3130126890H21 3.94410324 0.5404032470H22 4.34263182 1.230674510H23 4.34263182 2.015350820H24 3.94410348 2.70562220H25 4.34263182 -0.9846491220H26 3.94410348 -0.2943778340H27 3.94410324 -2.459596870H28 4.34263182 -1.769325490H29 1.3894192 -1.769325490H30 1.78794754 -2.459596870H31 1.78794754 -0.2943778340H32 1.3894192 -0.9846491220 H33 3.47368741 -3.853593590!H34 3.94863486 -3.030960080"H35 1.78341603 -3.030960080#H36 2.25836349 -3.85359359038                ! " !# "$ #%0H00000000-0000-0000-0000-000000000000zۺBLȥ  jfm@} O104NƳE?B}/1-(3,5-dimethylphenyl)piperazin-2-one, 4004190^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=11488391)3˙FWd-Ͼ(U?/|GaC V"@D<׵C@iA@*̟ŗ MFCD05864578McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=11488391Y*LH{, ChemBridge[[DD̍Wi C12H16N2Oe1\@,W 880361-76-2ʹu4O}2?8<OSA$a250db0b-6265-456a-8aa9-579cfb699c1331C12 -2.809999940C2 2.86602497 -2.309999940C3 3.7320509 -2.809999940C4 4.59807587 -2.309999940C5 5.46410179 -2.809999940C6 4.59807587 -1.309999940C7 3.7320509 -0.8100000020C8 2.86602497 -1.309999940 N9 3.7320509 0.1899999980 C10 2.86602497 0.6899999980 C11 2.86602497 1.690000060 N12 3.7320509 2.190000060 C13 4.59807587 1.690000060C14 4.59807587 0.6899999980O15 5.46410179 0.1899999980H16 1.69000006 -2.27306390H17 1.46306396 -3.119999890H18 2.30999994 -3.346935990H19 3.7320509 -3.430000070H20 5.15410185 -3.346935990H21 6.00103807 -3.119999890H22 5.77410221 -2.27306390H23 5.13501215 -0.9999998810H24 2.32909012 -0.9999998810H252.255445 0.7976617810H26 2.6539731 0.1073905970H27 2.65397312.2726090H282.255445 1.582337980H29 3.7320509 2.809999940H30 5.20865679 1.582337980H31 4.810129172.272609032                    003011109865321015161772318419202122131229301424252627311011910896856352312010150160171767723218344194204215228131213111212291230131492492510261027V570G5ҊUImgxvJ`i4004190q!:BJS\ 11488391뒣Am`$v preferred'OB@{USDP̑LOYi0Cc1cc(C)cc(c1)N1CCNCC1=OOSA$a250db0b-6265-456a-8aa9-579cfb699c1331C12 -2.809999940C2 2.86602545 -2.309999940C3 3.7320509 -2.809999940C4 4.59807634 -2.309999940C5 5.46410179 -2.809999940C6 4.59807634 -1.309999940C7 3.7320509 -0.8100000020C8 2.86602545 -1.309999940N9 3.7320509 0.1899999980 C10 2.86602545 0.6899999980 C11 2.86602545 1.690000060 N12 3.7320509 2.190000060 C13 4.59807634 1.690000060 C14 4.59807634 0.6899999980O15 5.46410179 0.1899999980H16 1.69000006 -2.273064140H17 1.46306419 -3.119999890H18 2.30999994 -3.346935750H19 3.7320509 -3.429999830H20 5.15410185 -3.346935750H21 6.0010376 -3.119999890H22 5.77410173 -2.273064140H23 5.13501215 -0.999999940H24 2.32908964 -0.999999940H25 2.25544453 0.7976618410H26 2.65397286 0.1073905680H27 2.65397286 2.272609470H28 2.25544453 1.582338210H29 3.7320509 2.809999940H30 5.20865726 1.582338210H31 4.81012869 2.27260947032                   0H00000000-0000-0000-0000-000000000000ko@?rB jfm@} O2011NƳE?B}G4-hydroxy-2H,3H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-one, CSC020792064^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114395834)3˙FWd-Ͼ(U?/|GaC V"@8<׵C@d`@A@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114395834Y*LH{, Chemspace BB[[DD̍Wi C7H9N3O2e1\@,Wʹu4O}3?8OSA$238be88d-33d0-48f6-ac5c-79c1a89654be21O1 3.7320509 -1.362331030C2 3.7320509 -0.3623305860N3 2.86602497 0.1376693990H4 2.32909012 -0.1723306030C5 2.86602497 1.137668970O62 1.637668970N7 3.7320509 1.637668970C8 4.59807587 1.137668970 C9 5.49201822 1.672330980 C10 6.39808512 1.158485050 N11 6.39808512 0.11685390 C12 5.49201822 -0.3969919090 C13 4.59807587 0.1376693990H14 3.19511509 -1.672330980H15 5.88564301 2.151349070H16 5.08741999 2.142118930H17 7.00894117 1.052392010H18 6.60714102 1.742176060H19 6.93382215 -0.1952134070H20 5.08741999 -0.8667799230H21 5.88564396 -0.876010716022                 0020109876421013121119203514151617219108978674624120101311211121011111911207122345814815916917V570G5ҊUIgxvJ`i CSC020792064q!:BJS\ 114395834뒣Am`$v preferred'OB@{USDP̑LOYi,Oc1[nH]c(=O)nc2CCNCc12,C1CNCc2c1nc(=O)[nH]c2OOSA$238be88d-33d0-48f6-ac5c-79c1a89654be21O1 3.7320509 -1.362330680C2 3.7320509 -0.3623306450N3 2.86602545 0.1376693550H4 2.32908964 -0.1723306330C5 2.86602545 1.137669320O62 1.637669320N7 3.7320509 1.637669320C8 4.59807634 1.137669320C9 5.49201822 1.672330620 C10 6.39808512 1.158484820 N11 6.39808512 0.1168539380 C12 5.49201822 -0.3969919090 C13 4.59807634 0.1376693550 H14 3.19511509 -1.672330620H15 5.88564348 2.151349310H16 5.08742046 2.142118690H17 7.0089407 1.052392360H18 6.60714054 1.742176410H19 6.93382168 -0.1952133770H20 5.08742046 -0.8667799230H21 5.88564396 -0.876010656022                 0H00000000-0000-0000-0000-000000000000MBV#i jfm@} O1312NƳE?B}7(4-methyl-[1,4'-bipiperidin]-4-yl)methanol, F1907-6955^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70099268)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jA@*̟ŗ MFCD29997453McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70099268Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H24N2Oe1\@,Wʹu4O}4?8 ZOSA$5fc1ee9a-e849-47bf-b36e-194e74fee1b539O1 2.309999942.9745450C2 3.309999942.9745450C3 3.80999994 2.108519080C4 4.309999942.9745450C5 4.67602491 1.608518960C6 4.67602491 0.6085193750N7 3.80999994 0.1085193980C8 2.94397402 0.6085193750 C9 2.94397402 1.608518960 C10 3.80999994 -0.8914806250 C11 2.94397402 -1.391481040 C12 2.94397402 -2.391480920 N13 3.80999994 -2.891480920C14 4.67602491 -2.391480920C15 4.67602491 -1.391481040H162 3.511481050H17 3.89260888 3.186597110H18 3.20233798 3.585125920H19 4.84693623 2.664545060H20 4.61999989 3.511481050H21 3.7730639 3.284544940H22 5.28660583 1.500857950H23 4.88807821 2.191128970H24 4.88807821 0.02591001060H25 5.28660583 0.7161812780H26 2.33339405 0.7161812780H27 2.73192191 0.02591001060H28 2.73192191 2.191128970H29 2.33339405 1.500857950H30 4.34693623 -0.5814806220H31 2.73192191 -0.808871210 H32 2.33339405 -1.499142050!H33 2.33339405 -2.283818960"H34 2.73192191 -2.97409010#H35 3.80999994 -3.511481050$H36 4.88807821 -2.97409010%H37 5.28660583 -2.283818960&H38 5.28660583 -1.499142050'H39 4.88807821 -0.80887121040              ! " !# "$ #% $&%'&(00381211109654210151617318192087252627282122232414133536373829303132333911121011910695645241201015116117233183193202878677257268278284214225235249141314121313351336143714389291030103111321133V570G5ҊUImgxvJ`i F1907-6955q!:BJS\ 70099268뒣Am`$v preferred'OB@{USDP̑LOYi.OCC1(C)CCN(CC1)C1CCNCC1OSA$5fc1ee9a-e849-47bf-b36e-194e74fee1b539O1 2.30999994 2.974544760C2 3.30999994 2.974544760C3 3.80999994 2.108519320C4 4.30999994 2.974544760C5 4.67602539 1.608519430C6 4.67602539 0.6085194350N7 3.80999994 0.108519420C8 2.94397449 0.6085194350C9 2.94397449 1.608519430 C10 3.80999994 -0.8914805650 C11 2.94397449 -1.391480570 C12 2.94397449 -2.391480680 N13 3.80999994 -2.891480680 C14 4.67602539 -2.391480680C15 4.67602539 -1.391480570H162 3.511480570H17 3.89260936 3.186597350H18 3.20233798 3.585125680H19 4.84693575 2.664544820H20 4.61999989 3.511480570H21 3.77306414 3.284544710H22 5.28660631 1.500857590H23 4.88807774 2.191128970H24 4.88807774 0.02591000680H25 5.28660631 0.7161812780H26 2.33339357 0.7161812780H27 2.73192191 0.02591000680H28 2.73192215 2.191128970H29 2.33339357 1.500857590H30 4.34693575 -0.5814805630H31 2.73192191 -0.808871150H32 2.33339357 -1.499142410 H33 2.33339357 -2.283818720!H34 2.73192191 -2.97409010"H35 3.80999994 -3.511480570#H36 4.88807774 -2.97409010$H37 5.28660631 -2.283818720%H38 5.28660631 -1.499142410&H39 4.88807774 -0.80887115040               ! !" "# #$ $%%&&'0H00000000-0000-0000-0000-000000000000`ړIALCU jfm@} O1296NƳE?B}5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one, PBZS8101, F21479, EN300-132141^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=300142462)3˙FWd-Ͼ(U@Y/|GaC V"@qp<׵C@bhA@*̟ŗ MFCD09025765McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=300142462Y*LH{,Enamine BB - UA Backorder[[DD̍WiC7H9N3Oe1\@,W 859826-41-8ʹu4O}5?8YOSA$3436a623-f89f-4970-b4c4-984d10ae66d720O1 3.40296102 -1.5173310C2 3.40296102 -0.5173305870N3 2.53693604 -0.01733064090H42 -0.3273305890C5 2.53693604 0.9826694130N6 3.402961021.4826690C7 4.26898718 0.9826694130C8 5.162929061.5173310 N96.068995 1.003484960 C106.068995 -0.038146060 C11 5.16292906 -0.551991880 C12 4.26898718 -0.01733064090 H132 1.292669060H14 5.55655384 1.996348980H15 4.75833082 1.987118960H16 6.604732041.3155520H17 6.2780509 -0.6218376160H18 6.67985106 0.06794645640H19 4.75833082 -1.021780010H20 5.55655384 -1.03101099021                0019876542101110916171819312131420786756452412011111011910899169171018101961123412713714V570G5ҊUImgxvJ`i EN300-132141q!:BJS\ 300142462뒣Am`$v preferred'OB@{USDP̑LOYi&O=c1[nH]cnc2CNCCc12.c1[nH]c(=O)c2c(n1)CNCC2OSA$3436a623-f89f-4970-b4c4-984d10ae66d720O1 3.40296125 -1.517330650C2 3.40296125 -0.5173306470N3 2.53693581 -0.01733063910H42 -0.3273306490C5 2.53693581 0.9826693530N6 3.40296125 1.482669350C7 4.2689867 0.9826693530C8 5.16292858 1.517330650N9 6.06899548 1.003484730 C10 6.06899548 -0.038146060 C11 5.16292858 -0.551991940 C12 4.2689867 -0.01733063910 H132 1.292669420 H14 5.55655432 1.996349330H15 4.75833082 1.987118720H16 6.60473204 1.315552120H17 6.2780509 -0.6218376160H18 6.67985106 0.06794646380H19 4.75833082 -1.021780010H20 5.55655432 -1.03101075021                0H00000000-0000-0000-0000-000000000000.X<KU jfm@} O1296NƳE?B}B2-methyl-4-(piperidin-1-yl)piperidine, BBV-39786079, EN300-714049^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96633087)3˙FWd-Ͼ(U@Y/|GaC V"@i`<׵C@fA@*̟ŗ MFCD16497098McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96633087Y*LH{,Enamine BB - UA Backorder[[DD̍Wi C11H22N2e1\@,Wʹu4O}6?8 AOSA$68745ba7-cf86-420f-aedb-e3f12b20867535C12 -2.190000060C2 2.86602497 -1.690000060N3 3.7320509 -2.190000060C4 4.59807587 -1.690000060C5 4.59807587 -0.6899999980C6 3.7320509 -0.1899999980C7 2.86602497 -0.6899999980N8 3.7320509 0.8100000020 C9 4.59807587 1.309999940 C10 4.59807587 2.309999940 C11 3.7320509 2.809999940 C12 2.86602497 2.309999940 C13 2.86602497 1.309999940H14 1.69000006 -1.653064010H15 1.46306396-2.50H16 2.30999994 -2.72693610H17 2.86602497 -2.309999940H18 3.7320509 -2.809999940H19 4.81012917 -2.2726090H20 5.20865679 -1.582337980H21 5.20865679 -0.7976617810H22 4.81012917 -0.1073905970H23 4.26898718 0.1199999970H24 2.6539731 -0.1073905970H252.255445 -0.7976617810H26 4.81012917 0.7273905280H27 5.20865679 1.417662020H28 5.20865679 2.202337980H29 4.81012917 2.892608880H30 4.13057899 3.284946920H31 3.33352304 3.284946920 H32 2.6539731 2.892608880!H332.255445 2.202337980"H342.255445 1.417662020#H35 2.6539731 0.727390528036                ! " !# "$00342101314156543181920217891011123334313229302728252622232416351201013014015165645342331831942042157788991010111112712123312341131113210291030927928825826522623624116V570G5ҊUImgxvJ`i EN300-714049q!:BJS\ 96633087뒣Am`$v preferred'OB@{USDP̑LOYi&CC1NCCC(C1)N1CCCCC1OSA$68745ba7-cf86-420f-aedb-e3f12b20867535C12 -2.190000060C2 2.86602545 -1.690000060N3 3.7320509 -2.190000060C4 4.59807634 -1.690000060C5 4.59807634 -0.6899999980C6 3.7320509 -0.1899999980C7 2.86602545 -0.6899999980N8 3.7320509 0.8100000020C9 4.59807634 1.309999940 C10 4.59807634 2.309999940 C11 3.7320509 2.809999940 C12 2.86602545 2.309999940 C13 2.86602545 1.309999940 H14 1.69000006 -1.653064250H15 1.46306419-2.50H16 2.30999994 -2.726935860H17 2.86602545 -2.309999940H18 3.7320509 -2.809999940H19 4.81012869 -2.272609470H20 5.20865726 -1.582338210H21 5.20865726 -0.7976618410H22 4.81012869 -0.1073905680H23 4.2689867 0.1200000050H24 2.65397286 -0.1073905680H25 2.25544453 -0.7976618410H26 4.81012869 0.7273905280H27 5.20865726 1.417661790H28 5.20865726 2.202337980H29 4.81012869 2.892609360H30 4.13057899 3.28494740H31 3.33352256 3.28494740H32 2.65397286 2.892609360 H33 2.25544453 2.202337980!H34 2.25544453 1.417661790"H35 2.6539731 0.727390528036                 ! !" "#0H00000000-0000-0000-0000-000000000000b4Jhttps://www.emolecules.com/cgi-bin/find?id=96626912)3˙FWd-Ͼ(U?/|GaC V"@P<׵C@fA@*̟ŗ MFCD20670828McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96626912Y*LH{,Enamine BB - EU Stock[[DD̍Wi C11H22N2e1\@,Wʹu4O}7?8 OSA$1ccea206-eb8d-4631-bba2-05e9c44eb49035C14.5 0.8769872780C24 0.01096189020C3 3.13397503 -0.489038110C4 3.13397503 -1.489037990N54 -1.989037990C6 4.86602497 -1.489037990C7 4.86602497 -0.489038110N83.5 0.8769872780 C94 1.743013020 C103.5 2.609038110 C112.5 2.609038110 C122 1.743013020 C132.5 0.8769872780H14 5.03693581 0.5669872760H15 4.80999994 1.413923030H16 3.96306396 1.186987040H17 2.92192197 0.09357132020H18 2.52339411 -0.5967000130H19 2.52339411 -1.381376030H20 2.92192197 -2.071647880H214 -2.609038110H22 5.07807779 -2.071647880H23 5.47660589 -1.381376030H24 5.47660589 -0.5967000130H25 5.07807779 0.09357132020H26 4.47494698 1.344483970H27 4.474946982.1415410H28 4.08261013 2.821090940H29 3.39233804 3.219619040H30 2.60766196 3.219619040H31 1.91739094 2.821090940 H32 1.525051952.1415410!H33 1.52505195 1.344483970"H34 1.91739094 0.6649348140#H35 2.60766196 0.266406506036                ! " !# "$00344321013141565212223247891011123334313229302728252616171819353423120101301401516564552152262362417788991010111112712123312341131113210291030927928825826216217318319V570G5ҊUIgxvJ`i EN300-367552q!:BJS\ 96626912뒣Am`$v preferred'OB@{USDP̑LOYi&CC1(CCNCC1)N1CCCCC1OSA$1ccea206-eb8d-4631-bba2-05e9c44eb49035C14.5 0.8769872780C24 0.01096189390C3 3.13397455 -0.489038110C4 3.13397455 -1.489038110N54 -1.989038110C6 4.86602545 -1.489038110C7 4.86602545 -0.489038110N83.5 0.8769872780C94 1.743012670 C103.5 2.609038110 C112.5 2.609038110 C122 1.743012670 C132.5 0.8769872780 H14 5.03693581 0.5669872760H15 4.80999994 1.413923030H16 3.96306419 1.186987280H17 2.92192197 0.09357132020H18 2.52339363 -0.5966999530H19 2.52339363 -1.381376270H20 2.92192197 -2.071647640H214 -2.609038110H22 5.07807779 -2.071647640H23 5.47660637 -1.381376270H24 5.47660637 -0.5966999530H25 5.07807779 0.09357132020H26 4.47494745 1.344484330H27 4.474947452.1415410H28 4.08260965 2.82109070H29 3.39233804 3.219619040H30 2.60766196 3.219619040H31 1.91739058 2.82109070H32 1.525052432.1415410 H33 1.52505243 1.344484330!H34 1.91739058 0.6649348140"H35 2.60766196 0.266406476036                 ! !" "#0H00000000-0000-0000-0000-000000000000؏^Mé  jfm@} O654NƳE?B}1-(4-(Piperazin-1-yl)phenyl)ethanone, 1-(4-(piperazin-1-yl)phenyl)ethanone, 1-(4-ACETYLPHENYL)PIPERAZINE, 1-(4-Acetylphenyl)piperazine, 1-(4-Piperazin-1-yl-phenyl)-ethanone, 1-(4-Piperazin-1-yl-phenyl)ethanone, 1-(4-Piperazin-1-yl-phenyl)ethanone?, 1-(4-Piperazin-1-ylphenyl)ethanone, 1-[4-(Piperazin-1-yl)phenyl]ethan-1-one, 1-[4-(piperazin-1-yl)phenyl]ethanone, 4'-(1-Piperazinyl)acetophenone, 4'-(Piperazin-1-yl)acetophenone, 4-Piperazinoacetophenone, 15957, 2655, 4H17-1-23, 509111, 84467, A10273, AJP01907, AK122324, AS51365, AX8014119, B14119, B22832, BBL016329, BBS-00027456, BBV-00040722, BB_SC-01973, F2190-0511, JK509111, OR0219, P67186, QE-5662, STK400476, STOCK6S-62440, STR06370, X-4409, XS001107^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=481109)3˙FWd-Ͼ(U@/|GaC V"@I<׵C@iA@*̟ŗ MFCD00005962McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=481109Y*LH{,Acros Organics (EUD)[[DD̍Wi C12H16N2Oe1\@,W 51639-48-6ʹu4O}8?8OSA$546e3edc-0ec9-49bd-8f10-741e8aed988531C1 3.7320509 -3.559999940C2 2.86602497 -3.059999940O32 -3.559999940C4 2.86602497 -2.059999940C5 3.7320509 -1.559999940C6 3.7320509 -0.5600000020C7 2.86602497 -0.05999999870C82 -0.5600000020 C92 -1.559999940 N10 2.86602497 0.9399999980 C11 3.7320509 1.440000060 C12 3.7320509 2.440000060 N13 2.86602497 2.940000060C142 2.440000060C152 1.440000060H16 3.42205095 -4.096936230H17 4.26898718 -3.869999890H18 4.04205084 -3.02306390H19 4.26898718-1.870H20 4.26898718-0.250H21 1.46306396-0.250H22 1.46306396-1.870H233.944103 0.8573905830H24 4.34263182 1.547662020H25 4.34263182 2.332338090H263.9441033.0226090H27 2.86602497 3.559999940H28 1.787948013.0226090H29 1.38941896 2.332338090H30 1.38941896 1.547662020H31 1.78794801 0.857390583032                   0030121110965431015161728720211819141327282930222324253111121011910695645341301015016017123878677208214185199141314121313271328142914301022102311241125V570G5ҊUIgxvJ`i15957q!:BJS\481109뒣Am`$v preferred'OB@{USDP̑LOYi0CC(=O)c1ccc(cc1)N1CCNCC1OSA$546e3edc-0ec9-49bd-8f10-741e8aed988531C1 3.7320509 -3.559999940C2 2.86602545 -3.059999940O32 -3.559999940C4 2.86602545 -2.059999940C5 3.7320509 -1.559999940C6 3.7320509 -0.5600000020C7 2.86602545 -0.05999999870C82 -0.5600000020C92 -1.559999940 N10 2.86602545 0.9399999980 C11 3.7320509 1.440000060 C12 3.7320509 2.440000060 N13 2.86602545 2.940000060 C142 2.440000060C152 1.440000060H16 3.42205095 -4.096935750H17 4.2689867 -3.869999890H18 4.04205084 -3.023064140H19 4.2689867-1.870H20 4.2689867-0.250H21 1.46306419-0.250H22 1.46306419-1.870H23 3.94410348 0.8573906420H24 4.34263182 1.54766190H25 4.34263182 2.332338090H26 3.94410348 3.022609470H27 2.86602545 3.559999940H28 1.78794754 3.022609470H29 1.3894192 2.332338090H30 1.3894192 1.54766190H31 1.78794754 0.857390642032                  0H00000000-0000-0000-0000-000000000000cEԀFR jfm@} O1296NƳE?B}2-Benzyl-2,5-diazabicyclo[2.2.1]heptane, 2-benzyl-2,5-diazabicyclo[2.2.1]heptane, 174219, AK401355, BBV-38716428, EN300-118264^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=48572294)3˙FWd-Ͼ(U@Y/|GaC V"@H<׵C@gA@*̟ŗ MFCD08694084McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=48572294Y*LH{,Enamine BB - UA Backorder[[DD̍Wi C12H16N2e1\@,W 114086-14-5ʹu4O}9?8OSA$035d51a6-13c7-4a83-a03f-1eaad65afaf730C1 9.17557526 -1.228680010C2 8.67557526 -0.362654090C3 7.67557478 -0.362654090C4 7.17557478 -1.228680010C5 7.67557478 -2.09470510C6 8.67557526 -2.09470510C7 6.17557478 -1.228680010N8 5.67557478 -0.362654090 C9 5.93439388 0.6032717230 C10 4.53545523 1.112090950 C113.798841 2.09470510 C12 4.27663612 0.1461648940 C13 2.9039309 -0.44585520N14 2.56191111 0.4938373860H15 9.79557514 -1.228680010H16 8.98557568 0.1742815970H17 7.36557484 0.1742815970H18 7.36557484 -2.631640910H19 8.98557568 -2.631640910H20 5.59296513 -1.4407320H21 6.28323698 -1.839259980H22 6.52835989 0.42549780H23 6.12932396 1.191830990H24 4.52142715 0.4922493990H25 4.11664391 2.627058980H26 3.18569803 2.186661010H27 4.29471684 -0.473571390H28 2.32553792 -0.6691526770H29 3.13839006 -1.019814010H302 0.755860686032                    0029131211109876321054171814151619202122232425262728311213111210119108978673623120105453441751801411521661962071182182291392310241025112612271228V570G5ҊUImgxvJ`i EN300-118264q!:BJS\ 48572294뒣Am`$v preferred'OB@{USDP̑LOYi,c1ccc(cc1)CN1CC2CC1CN2OSA$035d51a6-13c7-4a83-a03f-1eaad65afaf730C1 9.17557526 -1.228679540C2 8.67557526 -0.362654120C3 7.67557478 -0.362654120C4 7.17557478 -1.228679540C5 7.67557478 -2.094704870C6 8.67557526 -2.094704870C7 6.17557478 -1.228679540N8 5.67557478 -0.362654120C9 5.93439388 0.6032717230 C10 4.53545523 1.112090710 C113.798841 2.094704870 C12 4.27663612 0.1461649240 C13 2.9039309 -0.445855230 N14 2.56191087 0.4938374160H15 9.79557514 -1.228679540H16 8.98557568 0.1742816270H17 7.36557484 0.1742816270H18 7.36557484 -2.631640670H19 8.98557568 -2.631640670H20 5.59296513 -1.4407320H21 6.2832365 -1.839260340H22 6.52836037 0.425497830H23 6.12932444 1.191831110H24 4.52142715 0.4922494290H25 4.11664391 2.627059220H26 3.18569827 2.186661010H27 4.29471731 -0.473571360H28 2.32553816 -0.6691526770H29 3.13838959 -1.019814370H302 0.755860746032                   0H00000000-0000-0000-0000-000000000000Gp'"; jfm@} O1322NƳE?B};[(1-benzylpyrrolidin-3-yl)amino]formonitrile, BBV-70357803^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96276481)3˙FWd-Ͼ(U?/|GaC V"@(<׵C@i(A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96276481Y*LH{, UORSY BB[[DD̍Wi C12H15N3e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-70357803q!:BJS\ 96276481뒣Am`$v nonpreferred'OB@{USDP̑LOYi,N#CNC1CCN(C1)Cc1ccccc1OSA$c74eab99-2f14-4092-9395-b72c92176c0830N12 2.766251090C2 2.99452186 2.661722660N3 3.98904371 2.557194230C4 4.39578056 1.643648740C5 3.89578032 0.7776234150C6 4.56491089 0.03447856750N7 5.4784565 0.4412152170C8 5.37392807 1.435737130C9 6.34448195 -0.05878479030 C10 6.34448195 -1.058784840 C11 5.4784565 -1.558784840 C12 5.4784565 -2.558784720 C13 6.34448195 -3.058784720 C14 7.21050739 -2.558784720C15 7.21050739 -1.558784840H16 4.3534708 3.058784720H17 4.78595924 2.125479220H18 3.39418983 1.142050390H19 3.48091936 0.316873670H20 4.06332016 -0.3299482460H21 4.87491083 -0.5024572010H22 5.99392796 1.435737130H23 5.43873549 2.052340750H24 6.95506287 -0.1664466560H25 6.55653429 0.5238246320H26 4.94152069 -1.248784780H27 4.94152069 -2.868784670H28 6.34448195 -3.678784610H29 7.7474432 -2.868784670H30 7.7474432 -1.24878478031               0H00000000-0000-0000-0000-000000000000܄yMQ ޫ7 jfm@} O328NƳE?B}A6-Benzyl-1,6-diazaspiro[3.4]octane, AK-79726, AX8237560, B237560^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=44469267)3˙FWd-Ͼ(U?/|GaC V"@@<׵C@iIpA@*̟ŗ MFCD12406508McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=44469267Y*LH{,Bepharm[[DD̍Wi C13H18N2e1\@,W 1158749-78-0ʹu4O}10?8OSA$5fc44d05-e462-4fa2-8058-6a61b2568a5e33C1 3.40125799 3.251353980C2 2.40673709 3.146826030C32 2.233279940C4 2.587785011.4242630C5 3.5823071 1.528792020C6 3.98904395 2.442337040C7 2.18104911 0.5107179880N8 2.76883411 -0.2982990150 C9 3.76883411 -0.2982990150 C10 4.07785082 -1.249356030 C11 3.26883411 -1.837141040 C12 2.45981693 -1.249356030 C13 2.56172705 -2.54424810C14 3.26883411 -3.251353980N15 3.97594094 -2.54424810H16 3.65343499 3.817753080H172.04231 3.648416040H18 1.38339603 2.168473010H19 3.94673395 1.027201060H20 4.60564709 2.507144930H211.667045 0.8574175830H22 1.75036001 0.06472730640H23 4.3752861 -0.1693937930H24 3.70402598 0.3183045980H25 4.38785124 -1.7862910H26 4.64424896 -0.9971789120H27 1.89341903 -0.9971789120H28 2.14981699 -1.7862910H29 2.12332106 -2.105840920H30 2.12332106 -2.982654090H31 2.83042789 -3.689760920 H32 3.7072401 -3.689760920!H33 4.59594107 -2.5442481035                    ! " #0032141312109876321054181915161720211126272223242528293031341314121310129108978673623120105453441851901511621762062171110111126112782282392492510141228122913301331V570G5ҊUIgxvJ`iB237560q!:BJS\ 44469267뒣Am`$v nonpreferred'OB@{USDP̑LOYi2c1ccc(cc1)CN1CCC2(C1)CCN2lOSA$5fc44d05-e462-4fa2-8058-6a61b2568a5e33C1 3.40125847 3.251354460C2 2.40673661 3.146825790C32 2.233280420C4 2.58778524 1.424263480C5 3.5823071 1.52879190C6 3.98904371 2.442337270C7 2.18104863 0.5107179880N8 2.76883388 -0.2982990150C9 3.76883388 -0.2982990150 C10 4.07785082 -1.249355550 C11 3.26883388 -1.83714080 C12 2.45981693 -1.249355550 C13 2.56172705 -2.544247630 C14 3.26883388 -3.251354460N15 3.9759407 -2.544247630H16 3.65343523 3.81775260H17 2.04230976 3.648416280H18 1.38339639 2.168472770H19 3.94673395 1.027201410H20 4.60564709 2.507144930H21 1.66704535 0.8574175830H22 1.75036049 0.06472730640H23 4.37528563 -0.1693937930H24 3.70402622 0.3183045690H25 4.38785076 -1.786291360H26 4.64424896 -0.9971788530H27 1.89341879 -0.9971788530H28 2.14981699 -1.786291360H29 2.12332082 -2.10584140H30 2.12332082 -2.982653860H31 2.83042765 -3.689760680H32 3.7072401 -3.689760680 H33 4.59594059 -2.54424763035                     ! "0H00000000-0000-0000-0000-000000000000`܅xF؎ jfm@} O18NƳE?B}5-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE, 5-Benzyl-octahydro-pyrrolo[3,4-b]pyrrole, 5-Benzyloctahydropyrrolo[3,4-b]pyrrole, 5-benzyl-octahydropyrrolo[3,4-b]pyrrole, 53914, AK177239, AX8266668, B266668, ST-4752, X-2436, eetm-1800^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=36251563)3˙FWd-Ͼ(U?/|GaC V"@x<׵C@iIpA@*̟ŗ MFCD11501198McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=36251563Y*LH{, AstaTech[[DD̍Wi C13H18N2e1\@,W 128740-12-5ʹu4O}11?8OSA$cf9cf6c4-bfa7-4a03-8873-40dcccc270e633C12.5 -1.996065970C23.5 -1.996065970C34 -1.130040050C43.5 -0.264014810C52.5 -0.264014810C62 -1.130040050C74 0.6020107270N85 0.6020107270 C9 5.58778477 1.411028030 C10 6.5388422 1.102010970 C11 6.5388422 0.10201060 C12 5.58778477 -0.2070063950 C13 7.48506212 -0.20272170C14 8.06867027 0.6020107270N15 7.48506212 1.406743050H16 2.19000006 -2.533000950H17 3.80999994 -2.533000950H18 4.61999989 -1.130040050H19 2.19000006 0.2729209960H201.38 -1.130040050H21 4.1076622 1.212592010H22 3.41739106 0.8140630720H23 5.83996201 1.977426050H24 5.05084896 1.721027970H25 6.5396471 1.722010020H26 6.5396471 -0.517988920H27 5.05084896 -0.5170062780H28 5.83996201 -0.7734044790H29 7.23402882 -0.7696279290H30 8.02244377 -0.5119469170H31 8.52954006 0.1872826960 H32 8.52954006 1.016739010!H33 7.67767191 1.99606597035                    ! " #0032141312109876321054181915161720211126272223242528293031341314121310129108978673623120105453441851901511621762062171110111126112782282391492410251228122913301331V570G5ҊUIgxvJ`i53914q!:BJS\ 36251563뒣Am`$v standard'OB@{USDP̑LOYi2c1ccc(cc1)CN1CC2C(C1)CCN29OSA$cf9cf6c4-bfa7-4a03-8873-40dcccc270e633C12.5 -1.996065620C23.5 -1.996065620C34 -1.130040170C43.5 -0.2640147510C52.5 -0.2640147510C62 -1.130040170C74 0.6020106670N85 0.6020106670C9 5.58778524 1.411027670 C10 6.53884172 1.102010610 C11 6.53884172 0.1020106450 C12 5.58778524 -0.207006350 C13 7.48506165 -0.202721670 C14 8.06867027 0.6020106670N15 7.48506165 1.406742930H16 2.19000006 -2.533001420H17 3.80999994 -2.533001420H18 4.61999989 -1.130040170H19 2.19000006 0.2729209960H201.38 -1.130040170H21 4.10766172 1.212591530H22 3.41739058 0.8140631320H23 5.83996201 1.977425810H24 5.05084944 1.721027730H25 6.53964663 1.722010140H26 6.53964663 -0.5179888610H27 5.05084944 -0.5170063380H28 5.83996201 -0.7734045390H29 7.23402882 -0.7696278690H30 8.02244377 -0.5119469170H31 8.52954006 0.1872826520H32 8.52954006 1.016738650 H33 7.67767239 1.99606562035                     ! "0H00000000-0000-0000-0000-000000000000qH" jfm@} O1546NƳE?B}(1R,4R)-2-Benzyl-2,5-Diaza-bicyclo[2.2.1]heptane, (1R,4R)-2-Benzyl-2,5-diazabicyclo-[2.2.1]heptane dihydrochloride, (1R,4R)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane, (1S,4S)-2-Benzyl-2,5-Diaza-bicyclo[2.2.1]heptane, (1S,4S)-2-Benzyl-2,5-Diaza-bicyclo[2.2.1]heptane dihydrochloride, 2-benzyl-2,5-diazabicyclo[2,2,1]heptane, 125071, 65R0333, 65R0334, 65R0334S, AK313368, B-1863, BBV-38289049, FS-1715^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=26985702)3˙FWd-Ͼ(U?/|GaC V"@i<׵C@gA@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=26985702Y*LH{,Aurum Pharmatech[[DD̍Wi C12H16N2e1\@,WB1024010-90-9, 114086-14-5, 127641-07-0, 1279035-15-2, 777821-64-4ʹu4O}12?8OSA$472316c1-ef71-46cb-8ee9-cbf45eadbbbf30C1 2.95524907 -1.228680010C2 3.45524907 -2.09470510C3 4.45524883 -2.09470510C4 4.95524883 -1.228680010C5 4.45524883 -0.362654090C6 3.45524907 -0.362654090C7 5.95524883 -1.228680010N8 6.45524883 -0.362654090 C9 6.19643021 0.6032717230 C10 7.59536886 1.112090950 H11 7.375371931.9331280 C12 8.33198261 2.09470510 C13 7.85418797 0.1461648940H14 8.07418346 -0.6748719810C15 9.22689342 -0.44585520N16 9.56891346 0.4938373860H17 2.33524895 -1.228680010H18 3.14524794 -2.631640910H19 4.76524878 -2.631640910H20 4.76524878 0.1742815970H21 3.14524794 0.1742815970H22 6.53785896 -1.4407320H23 5.84758806 -1.839259980H24 5.6024642 0.42549780H25 6.00150013 1.191830990H26 8.01418018 2.627058980H27 8.94512558 2.186661010H28 9.80528545 -0.6691526770H29 8.99243546 -1.019814010H30 10.1308203 0.755860686032                0029151412119876321054192016171821222324102526132728311415121411129118978673623120105453441952001611721862162271282382491091511251126121314271428V570G5ҊUIgxvJ`iB-1863q!:BJS\ 26985702뒣Am`$v nonpreferred'OB@{USDP̑LOYi>c1ccc(cc1)CN1C[C@H]2C[C@@H]1CN2OSA$472316c1-ef71-46cb-8ee9-cbf45eadbbbf30C1 2.95524859 -1.228679540C2 3.45524859 -2.094704870C3 4.45524931 -2.094704870C4 4.95524931 -1.228679540C5 4.45524931 -0.362654120C6 3.45524859 -0.362654120C7 5.95524931 -1.228679540N8 6.45524931 -0.362654120C9 6.19643021 0.6032717230 C10 7.59536886 1.112090710 H11 7.37537241 1.933127760 C12 8.33198261 2.094704870 C13 7.85418797 0.1461649240 H14 8.07418346 -0.6748719810C15 9.22689342 -0.445855230N16 9.56891346 0.4938374160H17 2.33524871 -1.228679540H18 3.14524817 -2.631640670H19 4.76524925 -2.631640670H20 4.76524925 0.1742816270H21 3.14524817 0.1742816270H22 6.53785896 -1.4407320H23 5.84758759 -1.839260340H24 5.60246372 0.425497830H25 6.00149965 1.191831110H26 8.01418018 2.627059220H27 8.94512558 2.186661010H28 9.80528545 -0.6691526770H29 8.9924345 -1.019814370H30 10.1308241 0.755860746032               0H00000000-0000-0000-0000-000000000000M7 2ECO jfm@} O503NƳE?B}(3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine, (3S)-1-benzyl-N-methyl-pyrrolidin-3-amine, (S)-1-BENZYL-3-METHYLAMINOPYRROLIDINE, (S)-1-Benzyl-3-methylaminopyrrolidine, (S)-1-Benzyl-N-methylpyrrolidin-3-amine, (S)-1-benzyl-3-methylaminopyrrolidine, (S)-N-Benzyl-3-methylaminopyrrolidine, 53632, A-24881, AC1701, AC180856, AGN-PC-0O4SZZ, AK-44982, AS21080, AX8045311, B1583, B45311, BB95-1093, ST-8680, SY003920, V026525, V39234^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=17413314)3˙FWd-Ͼ(U@/|GaC V"@{<׵C@gA@*̟ŗ MFCD00191310McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=17413314Y*LH{,AOKBIO - INSTOCK[[DD̍Wi C12H18N2e1\@,W108963-18-4, 169749-99-9ʹu4O}8V570G5ҊUIgxvJ`iAC1701q!:BJS\ 17413314뒣Am`$v nonpreferred'OB@{USDP̑LOYi0CN[C@H]1CCN(C1)Cc1ccccc1#OSA$a8322823-8e01-4dff-80ed-068fbec3df5232C12 2.661722660N2 2.99452186 2.557194230C3 3.40125847 1.643648740H4 2.78210807 1.676097040C5 2.90125847 0.7776234150C6 3.57038903 0.03447856750N7 4.4839344 0.4412152170C8 4.37940598 1.435737130C9 5.34995985 -0.05878479030 C10 5.34995985 -1.058784840 C11 4.4839344 -1.558784840 C12 4.4839344 -2.558784720 C13 5.34995985 -3.058784720 C14 6.2159853 -2.558784720C15 6.2159853 -1.558784840H16 2.06480765 3.278326270H17 1.38339639 2.726530310H18 1.93519235 2.045119050H19 3.35894871 3.058784720H20 2.39966798 1.142050270H21 2.4863975 0.316873640H22 3.06879854 -0.3299482760H23 3.88038898 -0.5024572010H24 4.99940586 1.435737130H25 4.44421339 2.052340750H26 5.96054077 -0.1664466560H27 5.5620122 0.5238246320H28 3.9469986 -1.248784780H29 3.9469986 -2.868784670H30 5.34995985 -3.678784610H31 6.7529211 -2.868784670H32 6.7529211 -1.24878478033                0H00000000-0000-0000-0000-000000000000-bJѼF jfm@} O1293NƳE?B}f(3R)-(-)-1-BENZYL-3-(METHYLAMINO)PYRROLIDINE, (3R)-(-)-1-Benzyl-3-(methylamino)pyrrolidine, (3R)-1-benzyl-N-methylpyrrolidin-3-amine, (R)-(-)-1-Benzyl-3-(methylamino)pyrrolidine, (R)-1-Benzyl-N-methylpyrrolidin-3-amine, 3H31-1-R7, A-24742, AB4953, AK-33284, AM-2037, AS20556-A, AX8031938, B31938, BB95-0592, BBV-39696293, BP-12601, K-4617, SY002905, V028935^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=25685199)3˙FWd-Ͼ(U@/|GaC V"@h<׵C@gA@*̟ŗ MFCD00191309McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=25685199Y*LH{,Accela ChemBio (SD)[[DD̍Wi C12H18N2e1\@,W 144043-17-4ʹu4O}8V570G5ҊUIgxvJ`i SY002905q!:BJS\ 25685199뒣Am`$v standard'OB@{USDP̑LOYi2CN[C@@H]1CCN(C1)Cc1ccccc1#OSA$ca04e34a-5ddd-4687-86e8-00fcc6b267dd32C12 2.661722660N2 2.99452186 2.557194230C3 3.40125847 1.643648740H4 2.78210807 1.676097040C5 2.90125847 0.7776234150C6 3.57038903 0.03447856750N7 4.4839344 0.4412152170C8 4.37940598 1.435737130C9 5.34995985 -0.05878479030 C10 5.34995985 -1.058784840 C11 4.4839344 -1.558784840 C12 4.4839344 -2.558784720 C13 5.34995985 -3.058784720 C14 6.2159853 -2.558784720C15 6.2159853 -1.558784840H16 2.06480765 3.278326270H17 1.38339639 2.726530310H18 1.93519235 2.045119050H19 3.35894871 3.058784720H20 2.39966798 1.142050270H21 2.4863975 0.316873640H22 3.06879854 -0.3299482760H23 3.88038898 -0.5024572010H24 4.99940586 1.435737130H25 4.44421339 2.052340750H26 5.96054077 -0.1664466560H27 5.5620122 0.5238246320H28 3.9469986 -1.248784780H29 3.9469986 -2.868784670H30 5.34995985 -3.678784610H31 6.7529211 -2.868784670H32 6.7529211 -1.24878478033                0H00000000-0000-0000-0000-000000000000}Q^BEJ jfm@} O729NƳE?B}R1-benzyl-3-(methylamino)pyrrolidin-2-one, BBV-32949954, EN300-174659, Z1827898532^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=36868465)3˙FWd-Ͼ(U?/|GaC V"@<׵C@iA@*̟ŗ MFCD14689546McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=36868465Y*LH{,Enamine BB - EU Stock[[DD̍Wi C12H16N2Oe1\@,W 1250578-48-3ʹu4O}8V570G5ҊUIgxvJ`i EN300-174659q!:BJS\ 36868465뒣Am`$v preferred'OB@{USDP̑LOYi,CNC1CCN(C1=O)Cc1ccccc1OSA$5ed93d71-2cd5-4bdb-b53e-3877bfc55e9a31C12 2.661722660N2 2.99452186 2.557194230C3 3.40125847 1.643648740C4 2.90125847 0.7776234150C5 3.57038903 0.03447856750N6 4.4839344 0.4412152170C7 4.37940598 1.435737130O8 5.12255096 2.10486770C9 5.34995985 -0.05878479030 C10 5.34995985 -1.058784840 C11 4.4839344 -1.558784840 C12 4.4839344 -2.558784720 C13 5.34995985 -3.058784720 C14 6.2159853 -2.558784720C15 6.2159853 -1.558784840H16 2.06480765 3.278326270H17 1.38339639 2.726530310H18 1.93519235 2.045119050H19 3.35894871 3.058784720H20 2.78210807 1.676097040H21 2.39966798 1.142050270H22 2.4863975 0.316873640H23 3.06879854 -0.3299482760H24 3.88038898 -0.5024572010H25 5.96054077 -0.1664466560H26 5.5620122 0.5238246320H27 3.9469986 -1.248784780H28 3.9469986 -2.868784670H29 5.34995985 -3.678784610H30 6.7529211 -2.868784670H31 6.7529211 -1.24878478032               0H00000000-0000-0000-0000-000000000000zmAXNJ0 jfm@} O729NƳE?B}&1-BENZYL-3-(METHYLAMINO)PYRROLIDINE, 1-Benzyl-3-(methylamino)pyrrolidine, 1-Benzyl-N-methylpyrrolidin-3-amine, 1-benzyl-3-(methylamino)pyrrolidine, 1-benzyl-N-methylpyrrolidin-3-amine, 173180, AK327376, B1558, B80094, BBV-00041772, BBV-209051, EN300-45370, F13234, LF-0507, QC-0983, Z159528466^GP~ܛr?!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=6886454)3˙FWd-Ͼ(U?/|GaC V"@K<׵C@gA@*̟ŗ MFCD00191308McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=6886454Y*LH{,Enamine BB - EU Stock[[DD̍Wi C12H18N2e1\@,W 96568-35-3ʹu4O}8V570G5ҊUIgxvJ`i EN300-45370q!:BJS\6886454뒣Am`$v preferred'OB@{USDP̑LOYi(CNC1CCN(C1)Cc1ccccc1#OSA$481b0389-f1c2-494e-a04f-0945741bf44b32C12 2.661722660N2 2.99452186 2.557194230C3 3.40125847 1.643648740C4 2.90125847 0.7776234150C5 3.57038903 0.03447856750N6 4.4839344 0.4412152170C7 4.37940598 1.435737130C8 5.34995985 -0.05878479030C9 5.34995985 -1.058784840 C10 4.4839344 -1.558784840 C11 4.4839344 -2.558784720 C12 5.34995985 -3.058784720 C13 6.2159853 -2.558784720 C14 6.2159853 -1.558784840H15 2.06480765 3.278326270H16 1.38339639 2.726530310H17 1.93519235 2.045119050H18 3.35894871 3.058784720H19 2.78210807 1.676097040H20 2.39966798 1.142050270H21 2.4863975 0.316873640H22 3.06879854 -0.3299482760H23 3.88038898 -0.5024572010H24 4.99940586 1.435737130H25 4.44421339 2.052340750H26 5.96054077 -0.1664466560H27 5.5620122 0.5238246320H28 3.9469986 -1.248784780H29 3.9469986 -2.868784670H30 5.34995985 -3.678784610H31 6.7529211 -2.868784670H32 6.7529211 -1.24878478033                 0H00000000-0000-0000-0000-000000000000wm]@ّ jfm@} O1323NƳE?B} BBV-70358684^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96738591)3˙FWd-Ͼ(U?/|GaC V"@t<׵C@jhA@*̟ŗ MFCD30284954McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96738591Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H17N3e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-70358684q!:BJS\ 96738591뒣Am`$v nonpreferred'OB@{USDP̑LOYi.CC1N(CCC1NC#N)Cc1ccccc1]OSA$8da68f53-71fc-44f3-9778-8aba78abf38433C1 6.11707306 2.10486770C2 5.37392807 1.435737130N3 5.4784565 0.4412152170C4 4.56491089 0.03447856750C5 3.89578032 0.7776234150C6 4.39578056 1.643648740N7 3.98904371 2.557194230C8 2.99452186 2.661722660N92 2.766251090 C10 6.34448195 -0.05878479030 C11 6.34448195 -1.058784840 C12 5.4784565 -1.558784840 C13 5.4784565 -2.558784720 C14 6.34448195 -3.058784720C15 7.21050739 -2.558784720C16 7.21050739 -1.558784840H17 6.53193378 1.644117830H18 6.57782269 2.519728660H19 5.70221233 2.565617560H20 5.95274782 1.21354890H21 4.06332016 -0.3299482460H22 4.87491083 -0.5024572010H23 3.39418983 1.142050390H24 3.48091936 0.316873670H25 4.78595924 2.125479220H26 4.3534708 3.058784720H27 6.95506287 -0.1664466560H28 6.55653429 0.5238246320H29 4.94152069 -1.248784780H30 4.94152069 -2.868784670H31 6.34448195 -3.678784610H32 7.7474432 -2.868784670 H33 7.7474432 -1.24878478034                 !0H00000000-0000-0000-0000-000000000000 UDe6/ jfm@} O1323NƳE?B} BBV-265507^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37512017)3˙FWd-Ͼ(U?/|GaC V"@<׵C@jhA@*̟ŗ MFCD11204069McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37512017Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H17N3e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-265507q!:BJS\ 37512017뒣Am`$v nonpreferred'OB@{USDP̑LOYi2CNC1(C#N)CCN(C1)Cc1ccccc1^OSA$2fe4c7c1-e2ff-4875-a742-cf1d5d23cb0333C12 1.373069170N2 2.86602545 1.873069170C3 3.7320509 1.373069170C4 3.93996239 2.351216790N5 4.14787436 3.32936430C6 3.2320509 0.5070437790C7 3.90118146 -0.2361010310N8 4.81472683 0.1706356110C9 4.7101984 1.165157560 C10 5.68075228 -0.3293643890 C11 5.68075228 -1.329364420 C12 4.81472683 -1.829364420 C13 4.81472683 -2.82936430 C14 5.68075228 -3.32936430C15 6.54677773 -2.82936430C16 6.54677773 -1.829364420H17 1.69000006 1.910004970H18 1.46306419 1.063069220H19 2.30999994 0.836133420H20 2.86602545 2.493069170H21 2.73046041 0.871470630H22 2.81718993 0.04629399250H23 3.39959097 -0.6005278830H24 4.21118164 -0.7730367780H25 5.33019829 1.165157560H26 4.77500582 1.781761170H27 6.2913332 -0.4370262620H28 5.89280462 0.2532450260H29 4.27779102 -1.519364360H30 4.27779102 -3.139364240H31 5.68075228 -3.949364190H32 7.08371353 -3.139364240 H33 7.08371353 -1.51936436034                 !0H00000000-0000-0000-0000-000000000000&q@%RNA>* jfm@} O612NƳE?B}(4AR,7aR)-6-Benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine, (4aR,7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, (4aR,7aR)-6-benzyl-octahydro-1H-pyrrolo[3,4-b]pyridine, (4aR,7aR)-octahydro-6-(phenylmethyl)-1H-Pyrrolo[3,4-b]pyridine, Racemic-(4aR,7aR)-6-benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, cis-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, rel-(4aR,7aR)-6-Benzyloctahydro-1H-pyrrolo[3,4-b]pyridine, 10046, 135008, AGN-PC-0O497P, AK198676, AK486398, AX8045491, AX8345239, B345239, B45491, F8881-8931, WX110999^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=48572281)3˙FWd-Ͼ(U@o@/|GaC V"@f <׵C@k MA@*̟ŗ MFCD11519120McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=48572281Y*LH{,Advanced ChemBlocks - In Stock[[DD̍Wi C14H20N2e1\@,W151213-43-3, 161594-54-3ʹu4O}13?8 OSA$dd4308b7-6605-4be8-a093-0a8444daf6eb36C1 7.76187897 -2.109038110C2 8.26187992 -1.243013020C3 7.76187897 -0.3769873080C4 6.76187897 -0.3769873080C5 6.26187897 -1.243013020C6 6.76187897 -2.109038110C7 6.26187897 0.489038110N8 5.26187897 0.489038110 C9 4.67827082 1.293769960 C10 3.7320509 0.989038110 H11 3.82199693 1.834265950 C12 3.7320509 -0.01096189020 H13 3.82199693 -0.8561894890C14 4.67827082 -0.3156942130C15 2.86602497 -0.510961890C162 -0.01096189020C172 0.989038110N18 2.86602497 1.489037990H19 8.07187939 -2.645973920H20 8.88187981 -1.243013020H21 8.07187939 0.1599484980H22 5.64188004 -1.243013020H23 6.45187998 -2.645973920H24 6.8444891 0.7010905740H25 6.1542182 1.099619030H26 5.21565294 1.602995990H27 4.427237991.8606770H28 4.42723799 -0.8826004270H29 5.21565294 -0.6249194740H30 2.46749711 -0.9859095220H31 3.26455402 -0.9859095220 H32 1.38941896 0.09669998290!H33 1.78794801 -0.5935713050"H34 1.787948011.5716480#H35 1.38941896 0.8813763260$H36 2.86602497 2.10903811038                !" #!$"%#&0035171615141198763210542122181920232413272825261012293031323334371617151614151114911897867362312010545344215220181192206236247131113132713288258269109171112142914301531153216331634V570G5ҊUImgxvJ`i10046q!:BJS\ 48572281뒣Am`$v nonpreferred'OB@{USDP̑LOYiFc1ccc(cc1)CN1C[C@H]2[C@@H](C1)CCCN2OSA$dd4308b7-6605-4be8-a093-0a8444daf6eb36C1 7.76187944 -2.109038110C2 8.26187992 -1.243012670C3 7.76187944 -0.3769873080C4 6.76187944 -0.3769873080C5 6.26187944 -1.243012670C6 6.76187944 -2.109038110C7 6.26187944 0.489038110N8 5.26187944 0.489038110C9 4.67827082 1.293770430 C10 3.7320509 0.989038110 H11 3.82199717 1.834265710 C12 3.7320509 -0.01096189390 H13 3.82199717 -0.8561895490 C14 4.67827082 -0.3156942130C15 2.86602545 -0.510961890C162 -0.01096189390C172 0.989038110N18 2.86602545 1.489038110H19 8.07187939 -2.645973920H20 8.88187981 -1.243012670H21 8.07187939 0.1599485130H22 5.64187956 -1.243012670H23 6.4518795 -2.645973920H24 6.8444891 0.7010905740H25 6.15421772 1.099618910H26 5.21565294 1.602995630H27 4.42723799 1.860676650H28 4.42723799 -0.8826003670H29 5.21565294 -0.6249194740H30 2.46749711 -0.9859094620H31 3.26455379 -0.9859094620H32 1.3894192 0.09669997540 H33 1.78794754 -0.5935713050!H34 1.78794754 1.571647520"H35 1.3894192 0.8813762660#H36 2.86602545 2.10903811038                ! "!#"$#%0H00000000-0000-0000-0000-000000000000/+1Eh=,E]* jfm@} O1323NƳE?B} BBV-90149582^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=97001472)3˙FWd-Ͼ(U?/|GaC V"@<׵C@jhA@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=97001472Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H17N3e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-90149582q!:BJS\ 97001472뒣Am`$v nonpreferred'OB@{USDP̑LOYi2N#CNC1(C)CCN(C1)Cc1ccccc1bOSA$219fe587-0be0-4f42-9dc3-443eb6e9810133N12 1.291216850C2 2.86602545 1.791216850N3 3.7320509 2.291216850C4 4.59807634 1.791216850C5 4.80598783 2.769364360C6 4.09807634 0.9251914020C7 4.76720667 0.1820465620N8 5.68075228 0.5887832050C9 5.57622385 1.583305120 C10 6.54677773 0.08878320460 C11 6.54677773 -0.9112167950 C12 5.68075228 -1.411216740 C13 5.68075228 -2.411216740 C14 6.54677773 -2.911216740C15 7.41280317 -2.411216740C16 7.41280317 -1.411216740H17 3.7320509 2.911216740H18 5.41243935 2.64045930H19 4.93489313 3.375815870H20 4.19953632 2.898269410H21 3.59648585 1.289618250H22 3.68321538 0.4644416870H23 4.26561594 -0.1823801990H24 5.07720661 -0.3548892140H25 6.19622374 1.583305120H26 5.64103174 2.199908730H27 7.15735865 -0.01887866110H28 6.75883007 0.671392620H29 5.14381647 -1.101216670H30 5.14381647 -2.721216680H31 6.54677773 -3.531216620H32 7.94973898 -2.721216680 H33 7.94973898 -1.10121667034                 !0H00000000-0000-0000-0000-000000000000 i]*KBtH  jfm@} O1323NƳE?B} BBV-78872144^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96929833)3˙FWd-Ͼ(U?/|GaC V"@<׵C@jhA@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96929833Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H17N3e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-78872144q!:BJS\ 96929833뒣Am`$v nonpreferred'OB@{USDP̑LOYi.CC1CC(CN1Cc1ccccc1)NC#NVOSA$7b1c0de1-6f6a-42fa-97a4-0e77acce334833C1 6.3913846 2.488695620C2 5.64824009 1.819565060C3 4.67009258 2.027476790C4 4.17009258 1.161451340C5 4.83922291 0.41830650N6 5.75276852 0.8250431420C7 6.61879396 0.3250431420C8 6.61879396 -0.6749568580C9 5.75276852 -1.17495680 C10 5.75276852 -2.17495680 C11 6.61879396 -2.67495680 C12 7.48481941 -2.17495680 C13 7.48481941 -1.17495680 N14 3.17557049 1.056922910C15 2.58778524 1.865939860N162 2.67495680H17 6.80624582.0279460H18 6.85213423 2.903556590H19 5.9765234 2.949445250H20 6.22705984 1.597376940H21 4.86168337 2.617131710H22 4.10369444 2.279653550H23 3.8324163 1.681427120H24 4.33763218 0.05387973410H25 5.14922285 -0.1186292920H26 7.22937489 0.2173812690H27 6.83084631 0.9076525570H28 5.21583271 -0.8649567960H29 5.21583271 -2.484956740H30 6.61879396 -3.294956680H31 8.02175522 -2.484956740H32 8.02175522 -0.8649567960 H33 2.92339373 0.490524679034                 !0H00000000-0000-0000-0000-0000000000003_tKNd jfm@} O1420NƳE?B}C4-(2,5-Diazabicyclo[2.2.1]heptan-2-ylmethyl)benzonitrile, AK401685^GP~ܛr@!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=6251558)3˙FWd-Ͼ(U?/|GaC V"@@<׵C@j`A@*̟ŗNoneMcK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=6251558Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C13H15N3e1\@,W 845866-73-1ʹu4O}14?8XOSA$def908c6-b67a-4de4-a5f1-9fea3c32c54331N111.17558 -1.228680010C210.17558 -1.228680010C3 9.17557526 -1.228680010C4 8.67557526 -0.362654090C5 7.67557478 -0.362654090C6 7.17557478 -1.228680010C7 7.67557478 -2.09470510C8 8.67557526 -2.09470510 C9 6.17557478 -1.228680010 N10 5.67557478 -0.362654090 C11 5.93439388 0.6032717230 C12 4.53545523 1.112090950 C133.798841 2.09470510C14 4.27663612 0.1461648940C15 2.9039309 -0.44585520N16 2.56191111 0.4938373860H17 8.98557568 0.1742815970H18 7.36557484 0.1742815970H19 7.36557484 -2.631640910H20 8.98557568 -2.631640910H21 5.59296513 -1.4407320H22 6.28323698 -1.839259980H23 6.52835989 0.42549780H24 6.12932396 1.191830990H25 4.52142715 0.4922493990H26 4.11664391 2.627058980H27 3.18569803 2.186661010H28 4.29471684 -0.473571390H29 2.32553792 -0.6691526770H30 3.13839006 -1.019814010H312 0.755860686033                   !003015141312111098543210761819161720212223242526272829321415131412131112101191089584534231201276756618719316417820821913102210231115112412251226132714281429V570G5ҊUIgxvJ`i AK401685q!:BJS\6251558뒣Am`$v preferred'OB@{USDP̑LOYi2N#Cc1ccc(cc1)CN1CC2CC1CN2OSA$def908c6-b67a-4de4-a5f1-9fea3c32c54331N1 11.1755753 -1.228679540C2 10.1755753 -1.228679540C3 9.17557526 -1.228679540C4 8.67557526 -0.362654120C5 7.67557478 -0.362654120C6 7.17557478 -1.228679540C7 7.67557478 -2.094704870C8 8.67557526 -2.094704870C9 6.17557478 -1.228679540 N10 5.67557478 -0.362654120 C11 5.93439388 0.6032717230 C12 4.53545523 1.112090710 C133.798841 2.094704870 C14 4.27663612 0.1461649240C15 2.9039309 -0.445855230N16 2.56191087 0.4938374160H17 8.98557568 0.1742816270H18 7.36557484 0.1742816270H19 7.36557484 -2.631640670H20 8.98557568 -2.631640670H21 5.59296513 -1.4407320H22 6.2832365 -1.839260340H23 6.52836037 0.425497830H24 6.12932444 1.191831110H25 4.52142715 0.4922494290H26 4.11664391 2.627059220H27 3.18569827 2.186661010H28 4.29471731 -0.473571360H29 2.32553816 -0.6691526770H30 3.13838959 -1.019814370H312 0.755860746033                   0H00000000-0000-0000-0000-000000000000wjMoL»%0 jfm@} O729NƳE?B};1-benzyl-N-(prop-2-en-1-yl)pyrrolidin-3-amine, EN300-71969^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=32445510)3˙FWd-Ͼ(U?/|GaC V"@<׵C@k MA@*̟ŗ MFCD11183217McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=32445510Y*LH{,Enamine BB - EU Stock[[DD̍Wi C14H20N2e1\@,W 1039980-58-9ʹu4O}8V570G5ҊUIgxvJ`i EN300-71969q!:BJS\ 32445510뒣Am`$v preferred'OB@{USDP̑LOYi.C=CCNC1CCN(C1)Cc1ccccc1 OSA$be9f8986-0945-4a6e-8c6c-630cc716953036C12 3.369290830C2 2.99452186 3.264762160C3 3.40125847 2.351216790N4 4.39578056 2.246688370C5 4.80251694 1.333142880C6 4.30251694 0.4671174590C7 4.97164774 -0.2760273520N8 5.88519335 0.1307092910C9 5.78066444 1.125231150 C10 6.75121832 -0.3692907090 C11 6.75121832 -1.369290710 C12 5.88519335 -1.869290710 C13 5.88519335 -2.869290830 C14 6.75121832 -3.369290830C15 7.61724377 -2.869290830C16 7.61724377 -1.869290710H17 1.74782336 3.935688970H18 1.63557303 2.867700340H19 3.35894871 3.766352650H20 2.79967523 2.201225280H21 3.4445076 1.732727050H22 4.76020718 2.748278860H23 4.18336678 1.365591290H24 3.80092645 0.831544280H25 3.88765597 0.006367620550H26 4.47005701 -0.6404542330H27 5.28164768 -0.8129631280H28 6.40066433 1.125231270H29 5.84547186 1.741834760H30 7.36179924 -0.4769526120H31 6.96327066 0.2133186910H32 5.34825754 -1.559290770 H33 5.34825754 -3.179290770!H34 6.75121832 -3.989290710"H35 8.15417957 -3.179290770#H36 8.15417957 -1.55929065037              ! !""##$0H00000000-0000-0000-0000-000000000000s2{gDJή.F@ jfm@} O1323NƳE?B} BBV-76097837^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96967018)3˙FWd-Ͼ(U?/|GaC V"@<׵C@jhA@*̟ŗ MFCD30245621McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96967018Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H17N3e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-76097837q!:BJS\ 96967018뒣Am`$v nonpreferred'OB@{USDP̑LOYi.N#CNC1CN(CC1C)Cc1ccccc1kOSA$d464a8a3-d2a4-4e0a-9f7f-daa07cc8494933N1 4.26335573 3.617006540C2 3.67557049 2.80798960N3 3.08778524 1.998972540C4 3.49452186 1.085427050C5 4.4726696 0.8775153760N6 4.57719803 -0.1170065180C7 3.66365242 -0.5237431530C8 2.99452186 0.2194016720C92 0.1148732010 C10 5.44322348 -0.617006540 C11 5.44322348 -1.617006540 C12 4.57719803 -2.117006540 C13 4.57719803 -3.117006540 C14 5.44322348 -3.617006540C15 6.30924892 -3.117006540C16 6.30924892 -2.117006540H17 2.47118163 2.063780070H18 2.87537146 1.117875340H19 5.09266949 0.8775153760H20 4.53747702 1.494118930H21 3.16206193 -0.8881700040H22 3.97365236 -1.060678960H23 2.65684557 0.7393774390H24 1.93519235 0.7314767840H25 1.38339639 0.05006554720H26 2.06480765 -0.5017303820H27 6.0538044 -0.7246683840H28 5.65527582 -0.03439711410H29 4.04026222 -1.807006480H30 4.04026222 -3.427006480H31 5.44322348 -4.237006660H32 6.84618473 -3.427006480 H33 6.84618473 -1.80700648034                 !0H00000000-0000-0000-0000-000000000000L_%I jfm@} O1420NƳE?B}7(S)-1-Benzyl-N-cyclopropylpyrrolidin-3-amine, AK416781^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43463548)3˙FWd-Ͼ(U?/|GaC V"@L<׵C@k MA@*̟ŗ MFCD21098031McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43463548Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C14H20N2e1\@,W 1353994-13-4ʹu4O}8V570G5ҊUIgxvJ`i AK416781q!:BJS\ 43463548뒣Am`$v preferred'OB@{USDP̑LOYi>c1ccc(cc1)CN1CC[C@@H](C1)NC1CC1OSA$d6b3da93-8f2c-4288-9126-22d6205035e036C1 6.26350546 -3.154146430C2 7.12953091 -2.654146430C3 7.12953091 -1.654146430C4 6.26350546 -1.154146430C5 5.39748001 -1.654146430C6 5.39748001 -2.654146430C7 6.26350546 -0.1541463730N8 5.39748001 0.3458536270C9 4.4839344 -0.06088302280 C10 3.81480408 0.6822618250 C11 4.31480408 1.548287150 H12 3.69565368 1.580735450 C13 5.29295158 1.340375540 N14 3.90806746 2.461832760C15 2.91354537 2.566361190C16 2.10452843 3.154146430C172 2.159624580H18 6.26350546 -3.774146320H19 7.66646671 -2.964146380H20 7.66646671 -1.344146370H21 4.8605442 -1.344146370H22 4.8605442 -2.964146380H23 6.87408638 -0.2618082460H24 6.4755578 0.4284630420H25 3.98234391 -0.4253097770H26 4.79393435 -0.5978187920H27 3.31321359 1.046688680H28 3.39994311 0.2215121090H29 5.91295147 1.340375540H305.357759 1.956979160H31 4.27249432 2.963423250H32 3.01053476 1.953994390 H33 2.37631845 3.711398840!H34 1.50854611 3.325041530"H35 1.38151026 2.116375450#H36 2.14999151 1.55804121038                 ! "!#"$#%0H00000000-0000-0000-0000-000000000000Y}N@* jfm@} O1432NƳE?B}FS-1719^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43474206)3˙FWd-Ͼ(U/|GaC V"<׵C@j`A@*̟ŗ MFCD06411687McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43474206Y*LH{,.Key Organics/BIONET - Screening and Fragments[[DD̍Wi C13H15N3e1\@,W 845866-73-1ʹu4O}15?8bOSA$ab3854aa-5f67-4e93-8a5b-71d248eb2bb031N1 2.10778999 -1.228680010C2 3.10778999 -1.228680010C3 4.10778999 -1.228680010C4 4.60778999 -2.09470510C5 5.60778999 -2.09470510C6 6.10778999 -1.228680010C7 5.60778999 -0.362654090C8 4.60778999 -0.362654090 C9 7.10778999 -1.228680010 N10 7.60778999 -0.362654090 C11 7.34897089 0.6032717230 C12 8.74790955 1.112090950 H13 8.527913091.9331280C14 9.48452377 2.09470510C15 9.00672913 0.1461648940H16 9.22672462 -0.6748719810C17 10.3794298 -0.44585520N18 10.7214499 0.4938373860H19 4.2977891 -2.631640910H20 5.91778994 -2.631640910H21 5.91778994 0.1742815970H22 4.2977891 0.1742815970H23 7.69040012 -1.4407320H24 7.00012779 -1.839259980H25 6.75500393 0.42549780H26 7.15403986 1.191830990H27 9.16672134 2.627058980H28 10.0976696 2.186661010H29 10.9578304 -0.6691526770H30 10.1449804 -1.019814010H3111.28337 0.755860686033                 !003017161413111098543210762021181922232425122627152829321617141613141113101191089584534231201276756620721318419822823914102410251112111713261327141516281629V570G5ҊUIxvJ`iFS-1719q!:BJS\ 43474206뒣Am`$v preferred'OB@{P̑LOYiDN#Cc1ccc(cc1)CN1C[C@H]2C[C@@H]1CN2OSA$ab3854aa-5f67-4e93-8a5b-71d248eb2bb031N1 2.10778952 -1.228679540C2 3.10778952 -1.228679540C3 4.10778952 -1.228679540C4 4.60778952 -2.094704870C5 5.60778999 -2.094704870C6 6.10778999 -1.228679540C7 5.60778999 -0.362654120C8 4.60778952 -0.362654120C9 7.10778999 -1.228679540 N10 7.60778999 -0.362654120 C11 7.34897089 0.6032717230 C12 8.74790955 1.112090710 H13 8.52791309 1.933127760 C14 9.48452377 2.094704870C15 9.00672913 0.1461649240H16 9.22672462 -0.6748719810C17 10.3794336 -0.445855230N18 10.7214537 0.4938374160H19 4.2977891 -2.631640670H20 5.91778994 -2.631640670H21 5.91778994 0.1742816270H22 4.2977891 0.1742816270H23 7.69039965 -1.4407320H24 7.00012827 -1.839260340H25 6.75500441 0.425497830H26 7.15404034 1.191831110H27 9.16672134 2.627059220H28 10.0976667 2.186661010H29 10.9578266 -0.6691526770H30 10.1449757 -1.019814370H31 11.2833652 0.755860746033                 0H00000000-0000-0000-0000-000000000000HwYCpqT*( jfm@} O1420NƳE?B}8(S)-2-((1-Benzylpyrrolidin-3-yl)amino)ethanol, AK413017^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43454510)3˙FWd-Ͼ(U?/|GaC V"@,<׵C@kA@*̟ŗ MFCD21093456McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43454510Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C13H20N2Oe1\@,W 1354019-91-2ʹu4O}8V570G5ҊUIgxvJ`i AK413017q!:BJS\ 43454510뒣Am`$v preferred'OB@{USDP̑LOYi4OCCN[C@H]1CCN(C1)Cc1ccccc1OSA$77481ce8-bd29-4b16-945c-1d12c0d6593d36O1 2.25217676 3.086091520C2 3.24669862 2.981563090C3 3.65343523 2.068017720N4 4.64795732 1.963489290C5 5.0546937 1.04994380H6 4.43554354 1.082392220C7 4.5546937 0.1839183720C8 5.2238245 -0.5592264530N9 6.13736963 -0.1524898110 C10 6.03284121 0.8420320750 C11 7.00339508 -0.6524897810 C12 7.00339508 -1.652489780 C13 6.13736963 -2.15248990 C14 6.13736963 -3.15248990C15 7.00339508 -3.65248990C16 7.86942053 -3.15248990C17 7.86942053 -2.15248990H182 3.65248990H19 3.84828186 3.13155460H20 3.20344949 3.600052830H21 3.05185199 1.918026090H22 3.69668436 1.449527980H23 5.01238394 2.465079780H24 4.05310297 0.5483452080H25 4.13983297 -0.2768314780H26 4.72223425 -0.9236533640H27 5.53382444 -1.09616220H28 6.65284109 0.8420320750H29 6.0976491 1.458635690H307.613976 -0.7601516250H31 7.21544743 -0.06988035140H32 5.60043383 -1.842489960 H33 5.60043383 -3.462489840!H34 7.00339508 -4.272490020"H35 8.40635586 -3.462489840#H36 8.40635586 -1.84248996037                 !!""##$0H00000000-0000-0000-0000-000000000000q,}Euonۤ. jfm@} O1420NƳE?B}42-((1-Benzylpyrrolidin-3-yl)amino)ethanol, AK413015^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37513724)3˙FWd-Ͼ(U?/|GaC V"@<׵C@kA@*̟ŗ MFCD11204217McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37513724Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C13H20N2Oe1\@,W 1038367-87-1ʹu4O}8V570G5ҊUIgxvJ`i AK413015q!:BJS\ 37513724뒣Am`$v preferred'OB@{USDP̑LOYi,OCCNC1CCN(C1)Cc1ccccc1OSA$b49aacb5-49e0-4b8e-9e98-f5ad6bb1b49436O1 2.25217676 3.086091520C2 3.24669862 2.981563090C3 3.65343523 2.068017720N4 4.64795732 1.963489290C5 5.0546937 1.04994380C6 4.5546937 0.1839183720C7 5.2238245 -0.5592264530N8 6.13736963 -0.1524898110C9 6.03284121 0.8420320750 C10 7.00339508 -0.6524897810 C11 7.00339508 -1.652489780 C12 6.13736963 -2.15248990 C13 6.13736963 -3.15248990 C14 7.00339508 -3.65248990C15 7.86942053 -3.15248990C16 7.86942053 -2.15248990H172 3.65248990H18 3.84828186 3.13155460H19 3.20344949 3.600052830H20 3.05185199 1.918026090H21 3.69668436 1.449527980H22 5.01238394 2.465079780H23 4.43554354 1.082392220H24 4.05310297 0.5483452080H25 4.13983297 -0.2768314780H26 4.72223425 -0.9236533640H27 5.53382444 -1.09616220H28 6.65284109 0.8420320750H29 6.0976491 1.458635690H307.613976 -0.7601516250H31 7.21544743 -0.06988035140H32 5.60043383 -1.842489960 H33 5.60043383 -3.462489840!H34 7.00339508 -4.272490020"H35 8.40635586 -3.462489840#H36 8.40635586 -1.84248996037              ! !""##$0H00000000-0000-0000-0000-000000000000< MČ!Y jfm@} O729NƳE?B}RN-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine, EN300-52216, PB753066674, Z752989206^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=29706076)3˙FWd-Ͼ(U?/|GaC V"@<׵C@kJA@*̟ŗ MFCD11640763McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=29706076Y*LH{,Enamine BB - EU Stock[[DD̍Wi C14H22N2e1\@,W 1096811-41-4ʹu4O}8V570G5ҊUIgxvJ`i EN300-52216q!:BJS\ 29706076뒣Am`$v preferred'OB@{USDP̑LOYi0CCNC1CCN(C1)C(c1ccccc1)CuOSA$5566582e-cd9e-428e-ab56-346347f0348e38C12 3.317026380C2 2.40673661 2.403481010N3 3.40125847 2.298952580C4 3.80799508 1.385407090C5 3.30799508 0.5193817020C6 3.97712588 -0.2237631230N7 4.89067125 0.1829735190C8 4.78614283 1.177495360C9 5.7566967 -0.3170264960 C10 5.7566967 -1.31702650 C11 4.89067125 -1.81702650 C12 4.89067125 -2.817026380 C13 5.7566967 -3.317026380 C14 6.62272215 -2.817026380C15 6.62272215 -1.81702650C16 6.62272215 0.1829735190H17 2.56639814 3.569203140H18 1.74782324 3.883424520H19 1.43360186 3.064849620H20 1.80515325 2.253489490H21 2.44998574 1.784991260H22 3.76568532 2.800543070H23 3.18884468 1.417855380H24 2.80640459 0.8838085530H25 2.89313412 0.05863186720H26 3.47553539 -0.5881900190H27 4.28712606 -0.7606988550H28 5.40614271 1.177495360H29 4.85095072 1.794098970H30 5.7566967 0.3029735090H31 4.35373545 -1.507026430H32 4.35373545 -3.127026320 H33 5.7566967 -3.937026260!H34 7.15965796 -3.127026320"H35 7.15965796 -1.507026430#H36 6.93272209 -0.3539622430$H37 7.15965796 0.4929735060%H38 6.31272221 0.719909251039              ! !""##$$%%&0H00000000-0000-0000-0000-000000000000ML85 jfm@} O1323NƳE?B} BBV-47065060^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96738600)3˙FWd-Ͼ(U?/|GaC V"@<׵C@ki`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96738600Y*LH{,UORSY BB - Backordered[[DD̍Wi C12H17N3Oe1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-47065060q!:BJS\ 96738600뒣Am`$v nonpreferred'OB@{USDP̑LOYi2NC(=O)NC1CCN(C1)Cc1ccccc1dOSA$bc6d595f-25e2-4451-b2b4-e707cc22ab4833N1 2.61660361 3.066231250C2 3.02334023 2.152685640O3 2.43555498 1.343668820N4 4.01786232 2.048157220C5 4.42459869 1.134611850C6 3.92459869 0.2685864270C7 4.5937295 -0.4745583830N8 5.50727463 -0.06782174860C9 5.4027462 0.9267001150 C10 6.37330008 -0.5678217410 C11 6.37330008 -1.567821740 C12 5.50727463 -2.067821740 C13 5.50727463 -3.067821740 C14 6.37330008 -3.567821740C15 7.23932552 -3.067821740C16 7.23932552 -2.067821740H17 2.98103046 3.567821740H182 3.13103890H19 4.38228893 2.549747940H20 3.80544829 1.167060140H21 3.4230082 0.6330132480H22 3.50973773 -0.1921634080H23 4.09213924 -0.8389853240H24 4.90372944 -1.011494040H25 6.02274609 0.9267001150H26 5.46755409 1.543303730H276.983881 -0.6754835840H28 6.58535242 0.0147876870H29 4.97033882 -1.757821680H30 4.97033882 -3.377821680H31 6.37330008 -4.187821870H32 7.77626133 -3.377821680 H33 7.77626133 -1.75782168034                 !0H00000000-0000-0000-0000-000000000000x ~Hǔ jfm@} O1365NƳE?B}<2-(2-Chlorobenzyl)-2,5-diazabicyclo[2.2.1]heptane, AK401684^GP~ܛr@!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=6251544)3˙FWd-Ͼ(U/|GaC V"<׵C@k A@*̟ŗ MFCD24657933McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=6251544Y*LH{,Ark Pharm - POA[[DD̍Wi C12H15ClN2e1\@,W 845866-67-3ʹu4O}16?8(OSA$45c669f3-ab4d-4f4f-be17-a50c2944e90a30Cl1 7.17557478 -2.527718070C2 7.67557478 -1.661692020C3 8.67557526 -1.661692020C4 9.17557526 -0.7956668140C5 8.67557526 0.07035858180C6 7.67557478 0.07035858180C7 7.17557478 -0.7956668140C8 6.17557478 -0.7956668140 N9 5.67557478 0.07035858180 C10 5.93439388 1.036283970 C11 4.53545523 1.545102950 C123.798841 2.527718070 C13 4.27663612 0.5791776180C14 2.9039309 -0.01284252010N15 2.56191111 0.926850080H16 8.98557568 -2.198627950H17 9.79557514 -0.7956668140H18 8.98557568 0.6072943210H19 7.36557484 0.6072943210H20 5.59296513 -1.007719040H21 6.28323698 -1.406247970H22 6.52835989 0.8585106130H23 6.12932396 1.624843960H24 4.52142715 0.9252622130H25 4.11664391 3.060071950H26 3.18569803 2.619673970H27 4.29471684 -0.04055866970H28 2.32553792 -0.2361399980H29 3.13839006 -0.5868015890H302 1.18887305032                      0029141312111098765432101516171819202122232425262728311314121311121011910897867564534231201162153164175187197208129219221014102311241125122613271328V570G5ҊUIxvJ`i AK401684q!:BJS\6251544뒣Am`$v preferred'OB@{P̑LOYi,Clc1ccccc1CN1CC2CC1CN2OSA$45c669f3-ab4d-4f4f-be17-a50c2944e90a30Cl1 7.17557478 -2.527717590C2 7.67557478 -1.661692260C3 8.67557526 -1.661692260C4 9.17557526 -0.7956668140C5 8.67557526 0.07035858180C6 7.67557478 0.07035858180C7 7.17557478 -0.7956668140C8 6.17557478 -0.7956668140N9 5.67557478 0.07035858180 C10 5.93439388 1.036284450 C11 4.53545523 1.545103430 C123.798841 2.527717590 C13 4.27663612 0.5791776180 C14 2.9039309 -0.01284251550N15 2.56191087 0.926850080H16 8.98557568 -2.198627950H17 9.79557514 -0.7956668140H18 8.98557568 0.6072943210H19 7.36557484 0.6072943210H20 5.59296513 -1.007719280H21 6.2832365 -1.406247620H22 6.52836037 0.8585105540H23 6.12932396 1.624843840H24 4.52142715 0.9252621530H25 4.11664391 3.060071950H26 3.18569827 2.619673730H27 4.29471731 -0.04055867340H28 2.32553816 -0.2361399830H29 3.13838959 -0.5868016480H302 1.18887341032                     0H00000000-0000-0000-0000-000000000000%E'jvfA= jfm@} O1432NƳE?B}FS-1716^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43474188)3˙FWd-Ͼ(U/|GaC V"<׵C@k A@*̟ŗ MFCD08461862McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43474188Y*LH{,.Key Organics/BIONET - Screening and Fragments[[DD̍Wi C12H15ClN2e1\@,W 952480-30-7ʹu4O}17?8OSA$9640b537-fa30-4834-bae3-0dd199b7da3530Cl110.17558 -1.228680010C2 9.17557526 -1.228680010C3 8.67557526 -2.09470510C4 7.67557478 -2.09470510C5 7.17557478 -1.228680010C6 7.67557478 -0.362654090C7 8.67557526 -0.362654090C8 6.17557478 -1.228680010 N9 5.67557478 -0.362654090 C10 5.93439388 0.6032717230 C11 4.53545523 1.112090950 H12 4.755452161.9331280 C133.798841 2.09470510C14 4.27663612 0.1461648940H15 4.05664015 -0.6748719810C16 2.9039309 -0.44585520N17 2.56191111 0.4938373860H18 8.98557568 -2.631640910H19 7.36557484 -2.631640910H20 7.36557484 0.1742815970H21 8.98557568 0.1742815970H22 5.59296513 -1.4407320H23 6.28323698 -1.839259980H24 6.52835989 0.42549780H25 6.12932396 1.191830990H26 4.11664391 2.627058980H27 3.18569803 2.186661010H28 2.32553792 -0.6691526770H29 3.13839006 -1.019814010H302 0.755860686032                   0029161513121098743210651920171821222324112526142728311516131512131012910897847342312011656455196202173187217228139239241011101612251226131415271528V570G5ҊUIxvJ`iFS-1716q!:BJS\ 43474188뒣Am`$v preferred'OB@{P̑LOYiBClc1ccc(cc1)CN1C[C@@H]2C[C@H]1CN2OSA$9640b537-fa30-4834-bae3-0dd199b7da3530Cl1 10.1755753 -1.228679540C2 9.17557526 -1.228679540C3 8.67557526 -2.094704870C4 7.67557478 -2.094704870C5 7.17557478 -1.228679540C6 7.67557478 -0.362654120C7 8.67557526 -0.362654120C8 6.17557478 -1.228679540N9 5.67557478 -0.362654120 C10 5.93439388 0.6032717230 C11 4.53545523 1.112090710 H12 4.75545168 1.933127760 C133.798841 2.094704870 C14 4.27663612 0.1461649240H15 4.05664015 -0.6748719810C16 2.9039309 -0.445855230N17 2.56191087 0.4938374160H18 8.98557568 -2.631640670H19 7.36557484 -2.631640670H20 7.36557484 0.1742816270H21 8.98557568 0.1742816270H22 5.59296513 -1.4407320H23 6.2832365 -1.839260340H24 6.52836037 0.425497830H25 6.12932444 1.191831110H26 4.11664391 2.627059220H27 3.18569827 2.186661010H28 2.32553816 -0.6691526770H29 3.13838959 -1.019814370H302 0.755860746032                  0H00000000-0000-0000-0000-000000000000XȟͻDDžANW jfm@} O1432NƳE?B}FS-1717^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43474190)3˙FWd-Ͼ(U/|GaC V"<׵C@k A@*̟ŗ MFCD06411679McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43474190Y*LH{,.Key Organics/BIONET - Screening and Fragments[[DD̍Wi C12H15ClN2e1\@,W 1252686-52-4ʹu4O}18?80OSA$244e2488-d6f5-4029-a99b-8930e4b5262230Cl1 3.36993694 -2.527718070C2 3.86993694 -1.661692020C3 3.36993694 -0.7956668140C4 3.86993694 0.07035858180C5 4.86993694 0.07035858180C6 5.36993694 -0.7956668140C7 4.86993694 -1.661692020C8 6.36993694 -0.7956668140 N9 6.86993694 0.07035858180 C10 6.61111784 1.036283970 C11 8.01005745 1.545102950 H12 7.79006004 2.366139890 C13 8.74667168 2.527718070C14 8.26887608 0.5791776180H15 8.48887253 -0.2418593020C16 9.64158154 -0.01284252010N17 9.98360157 0.926850080H18 2.74993706 -0.7956668140H193.559937 0.6072943210H20 5.17993689 0.6072943210H21 5.17993689 -2.198627950H22 6.95254707 -1.007719040H23 6.26227617 -1.406247970H24 6.01715183 0.8585106130H25 6.41618776 1.624843960H26 8.42886829 3.060071950H27 9.35981369 2.619673970H28 10.2199697 -0.2361399980H29 9.40712261 -0.5868015890H30 10.5455103 1.18887305032                   0029161513121098754321062017181921222324112526142728311516131512131012910897857453423120116566202173184197217228139239241011101612251226131415271528V570G5ҊUIxvJ`iFS-1717q!:BJS\ 43474190뒣Am`$v preferred'OB@{P̑LOYiBClc1cccc(c1)CN1C[C@H]2C[C@@H]1CN2OSA$244e2488-d6f5-4029-a99b-8930e4b5262230Cl1 3.36993718 -2.527717590C2 3.86993718 -1.661692260C3 3.36993718 -0.7956668140C4 3.86993718 0.07035858180C5 4.86993742 0.07035858180C6 5.36993742 -0.7956668140C7 4.86993742 -1.661692260C8 6.36993742 -0.7956668140N9 6.86993742 0.07035858180 C10 6.61111832 1.036284450 C11 8.01005745 1.545103430 H12 7.79006004 2.366140370 C13 8.74667168 2.527717590 C14 8.26887608 0.5791776180H15 8.48887253 -0.2418592870C16 9.64158154 -0.01284251550N17 9.98360157 0.926850080H18 2.7499373 -0.7956668140H19 3.55993676 0.6072943210H20 5.17993736 0.6072943210H21 5.17993736 -2.198627950H22 6.95254707 -1.007719280H23 6.2622757 -1.406247620H24 6.01715183 0.8585105540H25 6.41618824 1.624843840H26 8.42886829 3.060071950H27 9.35981369 2.619673730H28 10.2199745 -0.2361399830H29 9.40712261 -0.5868016480H30 10.5455122 1.18887341032                  0H00000000-0000-0000-0000-000000000000 DHk GQ(LS jfm@} O1420NƳE?B}5(S)-1-Benzyl-N-isopropylpyrrolidin-3-amine, AK416768^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43463538)3˙FWd-Ͼ(U?/|GaC V"@L<׵C@kJA@*̟ŗ MFCD21098026McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43463538Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C14H22N2e1\@,W 1354009-82-7ʹu4O}8V570G5ҊUIgxvJ`i AK416768q!:BJS\ 43463538뒣Am`$v preferred'OB@{USDP̑LOYi8CC(N[C@H]1CCN(C1)Cc1ccccc1)CuOSA$c19e3fef-0fc8-4dbf-b86f-7f232fd5312e38C12 1.594464060C2 2.58778524 2.403481010N3 3.5823071 2.298952580C4 3.98904371 1.385407090H5 3.36989331 1.417855380C6 3.48904371 0.5193817020C7 4.15817451 -0.2237631230N8 5.07171965 0.1829735190C9 4.96719122 1.177495360 C10 5.93774509 -0.3170264960 C11 5.93774509 -1.31702650 C12 5.07171965 -1.81702650 C13 5.07171965 -2.817026380 C14 5.93774509 -3.317026380C15 6.80377054 -2.817026380C16 6.80377054 -1.81702650C17 2.18104863 3.317026380H18 1.49840951 1.958890910H19 1.63557315 1.092873570H20 2.50159049 1.230037210H21 2.83996201 1.837082860H22 3.94673395 2.800543070H23 2.98745322 0.8838085530H24 3.07418275 0.05863186720H25 3.65658402 -0.5881900790H26 4.46817446 -0.7606988550H27 5.5871911 1.177495360H28 5.03199911 1.794098970H29 6.54832602 -0.4246883690H30 6.14979744 0.2655829190H31 4.53478384 -1.507026430H32 4.53478384 -3.127026320 H33 5.93774509 -3.937026260!H34 7.34070635 -3.127026320"H35 7.34070635 -1.507026430#H36 2.74744678 3.569203140$H37 1.92887187 3.883424520%H38 1.61465049 3.06484962039               !!""##$$%%&0H00000000-0000-0000-0000-000000000000Y2 @>kou jfm@} O729NƳE?B}k1-Benzyl-N-isopropylpyrrolidin-3-amine, 1-benzyl-N-(propan-2-yl)pyrrolidin-3-amine, AK416766, EN300-261645^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37313121)3˙FWd-Ͼ(U?/|GaC V"@zP<׵C@kJA@*̟ŗ MFCD10692135McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37313121Y*LH{,Enamine BB - EU Stock[[DD̍Wi C14H22N2e1\@,W 1092294-32-0ʹu4O}8V570G5ҊUIgxvJ`i EN300-261645q!:BJS\ 37313121뒣Am`$v preferred'OB@{USDP̑LOYi0CC(NC1CCN(C1)Cc1ccccc1)CuOSA$07c6eea1-5fce-4e0a-a385-0e3d2514337038C12 1.594464060C2 2.58778524 2.403481010N3 3.5823071 2.298952580C4 3.98904371 1.385407090C5 3.48904371 0.5193817020C6 4.15817451 -0.2237631230N7 5.07171965 0.1829735190C8 4.96719122 1.177495360C9 5.93774509 -0.3170264960 C10 5.93774509 -1.31702650 C11 5.07171965 -1.81702650 C12 5.07171965 -2.817026380 C13 5.93774509 -3.317026380 C14 6.80377054 -2.817026380C15 6.80377054 -1.81702650C16 2.18104863 3.317026380H17 1.49840951 1.958890910H18 1.63557315 1.092873570H19 2.50159049 1.230037210H20 2.83996201 1.837082860H21 3.94673395 2.800543070H22 3.36989331 1.417855380H23 2.98745322 0.8838085530H24 3.07418275 0.05863186720H25 3.65658402 -0.5881900790H26 4.46817446 -0.7606988550H27 5.5871911 1.177495360H28 5.03199911 1.794098970H29 6.54832602 -0.4246883690H30 6.14979744 0.2655829190H31 4.53478384 -1.507026430H32 4.53478384 -3.127026320 H33 5.93774509 -3.937026260!H34 7.34070635 -3.127026320"H35 7.34070635 -1.507026430#H36 2.74744678 3.569203140$H37 1.92887187 3.883424520%H38 1.61465049 3.06484962039              ! !""##$$%%&0H00000000-0000-0000-0000-000000000000SVHC{!; jfm@} O1420NƳE?B}8(R)-2-((1-Benzylpyrrolidin-3-yl)amino)ethanol, AK413016^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43454508)3˙FWd-Ͼ(U?/|GaC V"@,<׵C@kA@*̟ŗ MFCD21093455McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43454508Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C13H20N2Oe1\@,W 1353999-74-2ʹu4O}8V570G5ҊUIgxvJ`i AK413016q!:BJS\ 43454508뒣Am`$v preferred'OB@{USDP̑LOYi6OCCN[C@@H]1CCN(C1)Cc1ccccc1OSA$d39ffc3a-f870-4ace-ad69-a317a6f37af636O1 2.25217676 3.086091520C2 3.24669862 2.981563090C3 3.65343523 2.068017720N4 4.64795732 1.963489290C5 5.0546937 1.04994380H6 4.43554354 1.082392220C7 4.5546937 0.1839183720C8 5.2238245 -0.5592264530N9 6.13736963 -0.1524898110 C10 6.03284121 0.8420320750 C11 7.00339508 -0.6524897810 C12 7.00339508 -1.652489780 C13 6.13736963 -2.15248990 C14 6.13736963 -3.15248990C15 7.00339508 -3.65248990C16 7.86942053 -3.15248990C17 7.86942053 -2.15248990H182 3.65248990H19 3.84828186 3.13155460H20 3.20344949 3.600052830H21 3.05185199 1.918026090H22 3.69668436 1.449527980H23 5.01238394 2.465079780H24 4.05310297 0.5483452080H25 4.13983297 -0.2768314780H26 4.72223425 -0.9236533640H27 5.53382444 -1.09616220H28 6.65284109 0.8420320750H29 6.0976491 1.458635690H307.613976 -0.7601516250H31 7.21544743 -0.06988035140H32 5.60043383 -1.842489960 H33 5.60043383 -3.462489840!H34 7.00339508 -4.272490020"H35 8.40635586 -3.462489840#H36 8.40635586 -1.84248996037                 !!""##$0H00000000-0000-0000-0000-000000000000WGZE , jfm@} O1323NƳE?B} BBV-69411674^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96717437)3˙FWd-Ͼ(U?/|GaC V"@<׵C@m f`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96717437Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-69411674q!:BJS\ 96717437뒣Am`$v nonpreferred'OB@{USDP̑LOYi4CNC(=N)NC1CCN(C1)Cc1ccccc1FOSA$410b2267-09fd-4610-90c2-142fa2d298c237C12 3.170759680N2 2.99452186 3.066231250C3 3.40125847 2.152685640N4 2.81347322 1.343668820N5 4.39578056 2.048157220C6 4.80251694 1.134611850C7 4.30251694 0.2685864270C8 4.97164774 -0.4745583830N9 5.88519335 -0.06782174860 C10 5.78066444 0.9267001150 C11 6.75121832 -0.5678217410 C12 6.75121832 -1.567821740 C13 5.88519335 -2.067821740 C14 5.88519335 -3.067821740C15 6.75121832 -3.567821740C16 7.61724377 -3.067821740C17 7.61724377 -2.067821740H18 2.06480765 3.787363290H19 1.38339639 3.235567330H20 1.93519235 2.554156060H21 3.35894871 3.567821740H22 2.19686961 1.408476350H23 4.76020718 2.549747940H24 4.18336678 1.167060140H25 3.80092645 0.6330132480H26 3.88765597 -0.1921634080H27 4.47005701 -0.8389852640H28 5.28164768 -1.011494160H29 6.40066433 0.9267002940H30 5.84547186 1.543303730H31 7.36179924 -0.6754836440H32 6.96327066 0.01478765350 H33 5.34825754 -1.75782180!H34 5.34825754 -3.377821680"H35 6.75121832 -4.187821870#H36 8.15417957 -3.377821680$H37 8.15417957 -1.75782168038                ! !""##$$%0H00000000-0000-0000-0000-000000000000@f̈́K, jfm@} O1323NƳE?B} BBV-78877074^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96930025)3˙FWd-Ͼ(U?/|GaC V"@<׵C@m f`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96930025Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-78877074q!:BJS\ 96930025뒣Am`$v nonpreferred'OB@{USDP̑LOYi4CC1CC(CN1Cc1ccccc1)NC(=N)N=OSA$9f56566c-c92e-41b9-9e67-a51e142a664a37C1 4.5668664 -1.452705980C2 4.77477789 -0.4745583830C3 4.10564756 0.2685864270C4 4.60564756 1.134611850C5 5.58379507 0.9267001150N6 5.6883235 -0.06782174860C7 6.55434895 -0.5678217410C8 6.55434895 -1.567821740C9 5.6883235 -2.067821740 C10 5.6883235 -3.067821740 C11 6.55434895 -3.567821740 C12 7.42037439 -3.067821740 C13 7.42037439 -2.067821740 N14 4.19891071 2.048157220C15 3.20438886 2.152685640N16 2.61660361 1.343668820N17 2.79765224 3.066231250H18 3.96041489 -1.32380080H19 4.4379611 -2.059157610H20 5.17331791 -1.581611160H21 5.25660849 -0.8647369740H22 3.60405707 0.6330133080H23 3.6907866 -0.1921633180H24 4.99582624 1.616442320H25 6.20379496 0.9267001150H26 5.64860296 1.543303730H27 7.16492987 -0.6754835840H28 6.76640129 0.0147876870H29 5.15138769 -1.757821680H30 5.15138769 -3.377821680H31 6.55434895 -4.187821870H32 7.9573102 -3.377821680 H33 7.9573102 -1.757821680!H34 4.5633378 2.549747940"H352 1.408476350#H36 3.1620791 3.567821740$H37 2.18104863 3.1310389038                ! !""##$$%0H00000000-0000-0000-0000-000000000000FjB@2B%, jfm@} O1323NƳE?B} BBV-70361302^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96717452)3˙FWd-Ͼ(U?/|GaC V"@H<׵C@m f`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96717452Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-70361302q!:BJS\ 96717452뒣Am`$v nonpreferred'OB@{USDP̑LOYi4CC1N(CCC1NC(=N)N)Cc1ccccc1;OSA$74761df3-4195-4991-848d-de54cfa309df37C1 6.32693958 1.59583080C2 5.58379507 0.9267001150N3 5.6883235 -0.06782174860C4 4.77477789 -0.4745583830C5 4.10564756 0.2685864270C6 4.60564756 1.134611850N7 4.19891071 2.048157220C8 3.20438886 2.152685640N9 2.61660361 1.343668820 N10 2.79765224 3.066231250 C11 6.55434895 -0.5678217410 C12 6.55434895 -1.567821740 C13 5.6883235 -2.067821740 C14 5.6883235 -3.067821740C15 6.55434895 -3.567821740C16 7.42037439 -3.067821740C17 7.42037439 -2.067821740H18 6.74180079 1.135081170H19 6.78768921 2.010691880H20 5.91207838 2.056580540H21 6.16261482 0.704512060H22 4.27318716 -0.8389851450H23 5.08477783 -1.011494160H24 3.60405707 0.6330133080H25 3.6907866 -0.1921633180H26 4.99582624 1.616442320H27 4.5633378 2.549747940H282 1.408476350H29 3.1620791 3.567821740H30 2.18104863 3.13103890H31 7.16492987 -0.6754835840H32 6.76640129 0.0147876870 H33 5.15138769 -1.757821680!H34 5.15138769 -3.377821680"H35 6.55434895 -4.187821870#H36 7.9573102 -3.377821680$H37 7.9573102 -1.75782168038               ! !""##$$%0H00000000-0000-0000-0000-000000000000\q!GNpDw َ jfm@} O1323NƳE?B} BBV-70353305^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96717428)3˙FWd-Ͼ(U?/|GaC V"@p<׵C@m)`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96717428Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H19N3Oe1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-70353305q!:BJS\ 96717428뒣Am`$v nonpreferred'OB@{USDP̑LOYi4CC1N(CCC1NC(=O)N)Cc1ccccc1OSA$7a9e4183-9b0e-4f4d-8009-11a87995986a36C1 6.14589119 1.59583080C2 5.4027462 0.9267001150N3 5.50727463 -0.06782174860C4 4.5937295 -0.4745583830C5 3.92459869 0.2685864270C6 4.42459869 1.134611850N7 4.01786232 2.048157220C8 3.02334023 2.152685640O9 2.43555498 1.343668820 N10 2.61660361 3.066231250 C11 6.37330008 -0.5678217410 C12 6.37330008 -1.567821740 C13 5.50727463 -2.067821740 C14 5.50727463 -3.067821740C15 6.37330008 -3.567821740C16 7.23932552 -3.067821740C17 7.23932552 -2.067821740H18 6.56075191 1.135080930H19 6.60664082 2.010691640H20 5.73103046 2.056580540H21 5.98156595 0.704511940H22 4.09213924 -0.8389853240H23 4.90372944 -1.011494040H24 3.4230082 0.6330132480H25 3.50973773 -0.1921634080H26 3.80544829 1.167060140H27 4.38228893 2.549747940H28 2.98103046 3.567821740H292 3.13103890H306.983881 -0.6754835840H31 6.58535242 0.0147876870H32 4.97033882 -1.757821680 H33 4.97033882 -3.377821680!H34 6.37330008 -4.187821870"H35 7.77626133 -3.377821680#H36 7.77626133 -1.75782168037                !!""##$0H00000000-0000-0000-0000-000000000000*e8I^6]* jfm@} O1323NƳE?B} BBV-90166314^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=97001790)3˙FWd-Ͼ(U?/|GaC V"@<׵C@m)`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=97001790Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H19N3Oe1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-90166314q!:BJS\ 97001790뒣Am`$v nonpreferred'OB@{USDP̑LOYi8NC(=O)NC1(C)CCN(C1)Cc1ccccc1OSA$e1fb4152-71bc-451c-be07-970d2ec013f736N1 2.53693581 2.291216850C2 3.40296125 1.791216850O3 3.40296125 0.7912167910N4 4.2689867 2.291216850C5 5.13501215 1.791216850C6 5.34292364 2.769364360C7 4.63501215 0.9251914020C8 5.30414248 0.1820465620N9 6.21768808 0.5887832050 C10 6.11315966 1.583305120 C11 7.08371353 0.08878320460 C12 7.08371353 -0.9112167950 C13 6.21768808 -1.411216740 C14 6.21768808 -2.411216740C15 7.08371353 -2.911216740C16 7.94973898 -2.411216740C17 7.94973898 -1.411216740H18 2.53693581 2.911216740H192 1.981216790H20 4.2689867 2.911216740H21 5.94937515 2.64045930H22 5.47182894 3.375815870H23 4.73647213 2.898269410H24 4.13342142 1.289618250H25 4.22015095 0.4644416870H26 4.80255175 -0.1823801990H27 5.61414242 -0.3548892140H28 6.73315954 1.583305120H29 6.17796755 2.199908730H30 7.69429445 -0.01887866110H31 7.29576588 0.671392620H32 5.68075228 -1.101216670 H33 5.68075228 -2.721216680!H34 7.08371353 -3.531216620"H35 8.48667431 -2.721216680#H36 8.48667431 -1.10121667037                 !!""##$0H00000000-0000-0000-0000-000000000000/"gGQS"k ` jfm@} O829NƳE?B}FCG1334846089^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37625160)3˙FWd-Ͼ(U/|GaC V"<׵C@m A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37625160Y*LH{, FCH Group[[DD̍Wi C15H24N2e1\@,Wʹu4O}8V570G5ҊUIxvJ`iFCG1334846089q!:BJS\ 37625160뒣Am`$v nonpreferred'OB@{P̑LOYi2CCCNC1CCN(C1)C(c1ccccc1)C OSA$4396f9cf-3457-46ef-8b3b-ebd4288d9df541C12 3.369290830C2 2.99452186 3.264762160C3 3.40125847 2.351216790N4 4.39578056 2.246688370C5 4.80251694 1.333142880C6 4.30251694 0.4671174590C7 4.97164774 -0.2760273520N8 5.88519335 0.1307092910C9 5.78066444 1.125231150 C10 6.75121832 -0.3692907090 C11 6.75121832 -1.369290710 C12 5.88519335 -1.869290710 C13 5.88519335 -2.869290830 C14 6.75121832 -3.369290830C15 7.61724377 -2.869290830C16 7.61724377 -1.869290710C17 7.61724377 0.1307092910H18 2.06480789 3.985894440H19 1.38339639 3.434098720H20 1.93519223 2.752687220H21 3.5961051 3.414753680H22 2.95127296 3.883251910H23 2.79967523 2.201225280H24 3.4445076 1.732727050H25 4.76020718 2.748278860H26 4.18336678 1.365591290H27 3.80092645 0.831544280H28 3.88765597 0.006367620550H29 4.47005701 -0.6404542330H30 5.28164768 -0.8129631280H31 6.40066433 1.125231270H32 5.84547186 1.741834760 H33 6.75121832 0.2507092950!H34 5.34825754 -1.559290770"H35 5.34825754 -3.179290770#H36 6.75121832 -3.989290710$H37 8.15417957 -3.179290770%H38 8.15417957 -1.559290650&H39 7.92724371 -0.4062264560'H40 8.15417957 0.4407092930(H41 7.30724382 0.667645037042            ! !" "# #$$%%&&''(()0H00000000-0000-0000-0000-000000000000 v F*kD jfm@} O1420NƳE?B}72-Amino-N-(1-benzylpyrrolidin-3-yl)acetamide, AK413142^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37273922)3˙FWd-Ͼ(U?/|GaC V"@`<׵C@m)`A@*̟ŗ MFCD12495329McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37273922Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C13H19N3Oe1\@,W 1152838-28-2ʹu4O}8V570G5ҊUIgxvJ`i AK413142q!:BJS\ 37273922뒣Am`$v preferred'OB@{USDP̑LOYi4NCC(=O)NC1CCN(C1)Cc1ccccc1OSA$e649f34d-b609-4347-81fb-b8c6cdda7f4836N1 2.36442685 3.086091520C2 3.35894871 2.981563090C3 3.76568532 2.068017720O4 3.17790008 1.259000660N5 4.76020718 1.963489290C6 5.16694403 1.04994380C7 4.66694403 0.1839183720C8 5.33607435 -0.5592264530N9 6.24961996 -0.1524898110 C10 6.14509153 0.8420320750 C11 7.11564541 -0.6524897810 C12 7.11564541 -1.652489780 C13 6.24961996 -2.15248990 C14 6.24961996 -3.15248990C15 7.11564541 -3.65248990C16 7.98167086 -3.15248990C17 7.98167086 -2.15248990H182 2.584501030H19 2.11225009 3.65248990H20 3.96053195 3.13155460H21 3.31569958 3.600052830H22 5.12463427 2.465079780H23 5.55712271 1.531774280H24 4.1653533 0.5483452680H25 4.25208282 -0.2768313590H26 4.83448362 -0.9236532450H27 5.6460743 -1.09616220H28 6.76509142 0.8420320750H29 6.20989943 1.458635690H30 7.72622633 -0.7601516250H31 7.32769775 -0.06988035140H32 5.71268415 -1.842489960 H33 5.71268415 -3.462489840!H34 7.11564541 -4.272490020"H35 8.51860619 -3.462489840#H36 8.51860619 -1.84248996037                 !!""##$0H00000000-0000-0000-0000-0000000000004N-ƔbCA jfm@} O1323NƳE?B} BBV-78876541^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=97173402)3˙FWd-Ͼ(U?/|GaC V"@H<׵C@m)`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=97173402Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H19N3Oe1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-78876541q!:BJS\ 97173402뒣Am`$v nonpreferred'OB@{USDP̑LOYi4CC1CC(CN1Cc1ccccc1)NC(=O)N OSA$9a7f9700-8c5b-44b1-81db-20aaa9deafa936C1 4.38581753 -1.452705980C2 4.5937295 -0.4745583830C3 3.92459869 0.2685864270C4 4.42459869 1.134611850C5 5.4027462 0.9267001150N6 5.50727463 -0.06782174860C7 6.37330008 -0.5678217410C8 6.37330008 -1.567821740C9 5.50727463 -2.067821740 C10 5.50727463 -3.067821740 C11 6.37330008 -3.567821740 C12 7.23932552 -3.067821740 C13 7.23932552 -2.067821740 N14 4.01786232 2.048157220C15 3.02334023 2.152685640O16 2.43555498 1.343668820N17 2.61660361 3.066231250H18 3.77936602 -1.323800560H19 4.25691223 -2.059157370H20 4.99226904 -1.581611390H21 5.07556009 -0.8647370340H22 3.4230082 0.6330132480H23 3.50973773 -0.1921634080H24 3.80544829 1.167060140H25 6.02274609 0.9267001150H26 5.46755409 1.543303730H276.983881 -0.6754835840H28 6.58535242 0.0147876870H29 4.97033882 -1.757821680H30 4.97033882 -3.377821680H31 6.37330008 -4.187821870H32 7.77626133 -3.377821680 H33 7.77626133 -1.757821680!H34 4.38228893 2.549747940"H35 2.98103046 3.567821740#H362 3.1310389037                ! !""##$0H00000000-0000-0000-0000-000000000000|BƒKU] jfm@} O1323NƳE?B} BBV-76099106^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96967030)3˙FWd-Ͼ(U?/|GaC V"@p<׵C@m f`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96967030Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-76099106q!:BJS\ 96967030뒣Am`$v nonpreferred'OB@{USDP̑LOYi4NC(=N)NC1CN(CC1C)Cc1ccccc1GOSA$dd357c79-edb0-4068-b111-b31f6a48390d37N1 3.26883388 3.418475390C2 3.67557049 2.504930020N3 4.67009258 2.400401590N4 3.08778524 1.695913080C5 3.49452186 0.7823675870C6 4.4726696 0.5744558570N7 4.57719803 -0.4200660290C8 3.66365242 -0.8268026710C9 2.99452186 -0.0836578310 C102 -0.1881863030 C11 5.44322348 -0.9200659990 C12 5.44322348 -1.9200660 C13 4.57719803 -2.420066120 C14 4.57719803 -3.420066120C15 5.44322348 -3.920066120C16 6.30924892 -3.420066120C17 6.30924892 -2.420066120H18 2.65223026 3.483283040H19 3.63326073 3.920066120H20 5.0345192 2.901992080H21 2.47118163 1.760720730H22 2.87537146 0.8148158790H23 5.09266949 0.5744558570H24 4.53747749 1.191059470H25 3.16206193 -1.191229460H26 3.97365236 -1.363738420H27 2.65684557 0.4363179210H28 1.93519235 0.4284172650H29 1.38339639 -0.2529939710H30 2.06480765 -0.8047899010H31 6.0538044 -1.027727840H32 5.65527582 -0.3374565540 H33 4.04026222 -2.110066180!H34 4.04026222 -3.730066060"H35 5.44322348 -4.540066240#H36 6.84618473 -3.730066060$H37 6.84618473 -2.11006618038                ! !""##$$%0H00000000-0000-0000-0000-000000000000F+G&u; jfm@} O1323NƳE?B} BBV-90164034^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=97001762)3˙FWd-Ͼ(U?/|GaC V"@p<׵C@m f`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=97001762Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-90164034q!:BJS\ 97001762뒣Am`$v nonpreferred'OB@{USDP̑LOYi8NC(=N)NC1(C)CCN(C1)Cc1ccccc1@OSA$0a1f29fd-0c9f-46dc-a534-4a9860ad166537N1 2.53693581 2.291216850C2 3.40296125 1.791216850N3 3.40296125 0.7912167910N4 4.2689867 2.291216850C5 5.13501215 1.791216850C6 5.34292364 2.769364360C7 4.63501215 0.9251914020C8 5.30414248 0.1820465620N9 6.21768808 0.5887832050 C10 6.11315966 1.583305120 C11 7.08371353 0.08878320460 C12 7.08371353 -0.9112167950 C13 6.21768808 -1.411216740 C14 6.21768808 -2.411216740C15 7.08371353 -2.911216740C16 7.94973898 -2.411216740C17 7.94973898 -1.411216740H18 2.53693581 2.911216740H192 1.981216790H20 2.86602545 0.4812167880H21 4.2689867 2.911216740H22 5.94937515 2.64045930H23 5.47182894 3.375815870H24 4.73647213 2.898269410H25 4.13342142 1.289618250H26 4.22015095 0.4644416870H27 4.80255175 -0.1823801990H28 5.61414242 -0.3548892140H29 6.73315954 1.583305120H30 6.17796755 2.199908730H31 7.69429445 -0.01887866110H32 7.29576588 0.671392620 H33 5.68075228 -1.101216670!H34 5.68075228 -2.721216680"H35 7.08371353 -3.531216620#H36 8.48667431 -2.721216680$H37 8.48667431 -1.10121667038                ! !""##$$%0H00000000-0000-0000-0000-000000000000OBdNDr@^ jfm@} O580NƳE?B} PB2285271997^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=102834188)3˙FWd-Ͼ(U/|GaC V"<׵C@nA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=102834188Y*LH{,UORSY[[DD̍Wi C15H20N2Oe1\@,Wʹu4O}8V570G5ҊUIxvJ`i PB2285271997q!:BJS\ 102834188뒣Am`$v nonpreferred'OB@{P̑LOYiPCc1ccc(cc1)C(=O)N1C[C@H]2[C@@H](C1)CCN2C8OSA$faba040a-62ef-4047-abca-711119e8852f38C12 -2.609677080C22.5 -1.743651750C33.5 -1.743651750C44 -0.87762630C53.5 -0.01160092470C62.5 -0.01160092470C72 -0.87762630C84 0.8544244770O93.5 1.720449920 N105 0.8544244770 C11 5.58778524 1.663441420 C12 6.53884172 1.354424480 H13 6.53994513 2.20442390 C14 6.53884172 0.3544244770H15 6.53994513 -0.4955748020C16 5.58778524 0.04540748520C17 7.48506165 0.04969216880C18 8.06867027 0.8544244770N19 7.48506165 1.65915680C20 7.79572392 2.609677080H21 1.46306431 -2.299677130H22 1.68999994 -3.146612880H23 2.53693581 -2.919677020H24 3.80999994 -2.280587430H25 4.61999989 -0.87762630H26 2.19000006 0.5253348350H271.38 -0.87762630H28 5.83996201 2.229839560H29 5.05084944 1.973441360H30 5.05084944 -0.2645925280H31 5.83996201 -0.520990670H32 7.23402882 -0.5172140 H33 8.02244377 -0.2595330770!H34 8.52954006 0.4396964610"H35 8.52954006 1.269152520#H36 8.38504696 2.417066340$H37 7.98833466 3.198999640%H38 7.20640135 2.80228782040                 ! "!#"$#%$&%'0H00000000-0000-0000-0000-000000000000/j Jq^ jfm@} O1323NƳE?B} BBV-68687470^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96854978)3˙FWd-Ͼ(U?/|GaC V"@<׵C@n`A@*̟ŗ MFCD30259541McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96854978Y*LH{,UORSY BB - Backordered[[DD̍Wi C14H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-68687470q!:BJS\ 96854978뒣Am`$v nonpreferred'OB@{USDP̑LOYi:CC1CC2(CN1Cc1ccccc1)CN=C(N2)NzOSA$f21a7273-6bcc-41d7-842f-956eaaf7b82b38C1 7.1591363 2.27881360C2 6.57135105 1.469796540C3 6.88036776 0.5187400580C4 6.07135105 -0.06904517110C5 5.26233387 0.5187400580N6 5.57135105 1.469796540C7 4.98356581 2.27881360C8 3.98904371 2.174285170C9 3.40125847 2.983302120 C10 2.40673661 2.878773690 C112 1.96522820 C12 2.58778524 1.156211260 C13 3.5823071 1.260739680 C14 5.26233387 -0.656830430N15 5.57135105 -1.607886910C16 6.57135105 -1.607886910N17 6.88036776 -0.656830430N18 7.1591363 -2.416903970H19 7.66072702 1.914386750H20 7.52356291 2.780404090H21 6.65754557 2.643240450H22 6.28987694 2.022220610H23 7.1903677 -0.0181956850H24 7.4467659 0.77091670H25 4.69593573 0.770916820H26 4.95233393 -0.01819569620H27 5.54081821 2.550603630H28 4.81267071 2.874795910H29 3.65343523 3.549700260H30 2.04230976 3.380364180H31 1.38339639 1.900420550H32 2.33560848 0.5898130540 H33 3.94673395 0.7591491340!H34 4.95233393 -0.1198946760"H35 4.69593573 -0.9090071920#H36 7.47002316 -0.4652398820$H37 7.77573967 -2.352096320%H38 6.90695953 -2.98330212040               ! " !# "$#%$&%'0H00000000-0000-0000-0000-000000000000N.1D|S jfm@} O580NƳE?B} PB2285271839^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=102834167)3˙FWd-Ͼ(U/|GaC V"<׵C@nA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=102834167Y*LH{,UORSY[[DD̍Wi C15H20N2Oe1\@,Wʹu4O}8V570G5ҊUIxvJ`i PB2285271839q!:BJS\ 102834167뒣Am`$v nonpreferred'OB@{P̑LOYiLCN1CC[C@H]2[C@@H]1CN(C2)C(=O)c1ccccc1CCOSA$091ae620-1d05-4406-be53-b2c3a643b13e38C1 7.79572392 2.176664350N2 7.48506165 1.226144080C3 8.06867027 0.4214117830C4 7.48506165 -0.383320540C5 6.53884172 -0.07858822490H6 6.53994513 -0.9285874960C7 6.53884172 0.9214117530H8 6.53994513 1.771411060C9 5.58778524 1.230428810 N105 0.4214117830 C11 5.58778524 -0.387605220 C124 0.4214117830 O133.5 1.28743720 C143.5 -0.4446136360C154 -1.310639020C163.5 -2.176664350C172.5 -2.176664350C182 -1.310639020C192.5 -0.4446136360C202 0.4214117830H21 8.38504696 1.984053730H22 7.98833466 2.765986920H23 7.20640135 2.369275090H24 8.52954006 0.006683768240H25 8.52954006 0.8361397980H26 7.23402882 -0.9502267240H27 8.02244377 -0.6925457720H28 5.83996201 1.796826960H29 5.05084944 1.540428760H30 5.05084944 -0.6976051930H31 5.83996201 -0.9540033940H32 4.61999989 -1.310639020 H33 3.80999994 -2.713600160!H34 2.19000006 -2.713600160"H351.38 -1.310639020#H36 2.53693581 0.7314117550$H37 1.69000006 0.9583475590%H38 1.46306419 0.111411795040              ! "!#"$#%$&%'0H00000000-0000-0000-0000-000000000000}rDk*B:0 jfm@} O580NƳE?B} PB142634360^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=43991298)3˙FWd-Ͼ(U/|GaC V"<׵C@nA@*̟ŗ MFCD10927548McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=43991298Y*LH{,UORSY[[DD̍Wi C15H20N2Oe1\@,Wʹu4O}8V570G5ҊUIxvJ`i PB142634360q!:BJS\ 43991298뒣Am`$v nonpreferred'OB@{P̑LOYi:O=C(C1CC1)NC1CCN(C1)Cc1ccccc1OSA$0b07df00-ff01-4ad5-a00d-57666fe4724438O1 2.62796831 1.097203140C2 3.21575356 1.906220080C3 2.80901694 2.819765570C4 2.91354537 3.814287420C52 3.407550810N6 4.21027565 1.801691650C7 4.61701202 0.8881461620C8 4.11701202 0.02212075140C9 4.78614283 -0.7210240960 N10 5.69968843 -0.3142874240 C11 5.59516001 0.6802344920 C12 6.56571341 -0.8142874240 C13 6.56571341 -1.814287420 C14 5.69968843 -2.314287420C15 5.69968843 -3.314287420C16 6.56571341 -3.814287420C17 7.43173885 -3.314287420C18 7.43173885 -2.314287420H19 3.42138362 2.916754960H20 3.53203511 3.857536550H21 2.76355386 4.415870670H22 1.6533004 3.921554090H23 1.55400932 2.976862670H24 4.57470226 2.303282260H25 3.99786162 0.9205945130H26 3.61542153 0.3865475950H27 3.70215106 -0.4386290610H28 4.2845521 -1.085451010H29 5.09614277 -1.257959840H30 6.21515989 0.6802344920H31 5.65996742 1.296838050H32 7.17629433 -0.9219493270 H33 6.77776575 -0.2316780240!H34 5.16275263 -2.004287480"H35 5.16275263 -3.624287370#H36 6.56571341 -4.434287550$H37 7.96867466 -3.624287370%H38 7.96867466 -2.00428748040              ! " !#"$#%$&%'0H00000000-0000-0000-0000-000000000000DE7$ jfm@} O11NƳE?B}BDD^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=46579431)3˙FWd-Ͼ(U/|GaC V"<׵C@nA@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=46579431Y*LH{, ASINEX - SC[[DD̍Wi C15H20N2Oe1\@,Wʹu4O}19?8 AOSA$e238bea1-e9fa-4fb0-9772-03f54255370a38O1 7.21608877 1.310233950C2 6.72041321 0.4417265060C3 7.2247262 -0.4217948020C4 6.72905111 -1.290302990C5 7.23336315 -2.153824090C6 8.23335075 -2.148837090C7 8.72902584 -1.280328990C8 8.22471333 -0.4168081880 N9 5.72042608 0.4367398920 C10 5.13281107 1.238551970 C11 4.18812323 0.9291049840 H12 4.33681011 1.765998960 C13 4.19310904 -0.07088260350H14 4.35013485 -0.9062523840C15 5.14083719 -0.3708927040C163.414397 -0.6982632880C17 2.43837094 -0.4806067940C182 0.418187290C19 2.42938495 1.321308020N20 3.40319204 1.548688050H21 6.1090579 -1.293393970H22 6.92604399 -2.692298890H23 8.54602432 -2.684221030H24 9.3490181 -1.277238010H25 8.53203201 0.1216667970H26 5.66864395 1.550452950H27 4.87895393 1.804198980H28 4.89263391 -0.9390435810H29 5.67975378 -0.6774343850H30 3.14817691 -1.258198020H31 3.90105391 -1.082404970 H32 1.83461106 -0.6215823290!H33 2.44146299 -1.100599050"H34 1.51334298 0.8023288850#H35 1.51719797 0.02921116910$H36 2.42629409 1.941300990%H37 1.82424998 1.456256030&H38 3.5381391 2.15382409040                !" #!$"%#&$'%(00371918171615121098102345672423222120142728252611132930313233343536391819171816171516121510129108918011223344556672772462352242132081412141427142892592610111019121315291530163116321733173418351836V570G5ҊUIxvJ`i BDD 30278517q!:BJS\ 46579431뒣Am`$v preferred'OB@{P̑LOYiLO=C(c1ccccc1)N1C[C@@H]2[C@H](C1)CCCCN2OSA$e238bea1-e9fa-4fb0-9772-03f54255370a38O1 7.21608877 1.310234430C2 6.72041321 0.4417265060C3 7.22472572 -0.4217948020C4 6.72905064 -1.290302750C5 7.23336267 -2.153824090C6 8.23335075 -2.148837330C7 8.72902584 -1.280329470C8 8.22471333 -0.4168081580N9 5.72042561 0.4367398920 C10 5.13281107 1.238551970 C11 4.18812275 0.9291049840 H12 4.33681011 1.765999320 C13 4.19310904 -0.07088259610 H14 4.35013533 -0.9062523840C15 5.14083672 -0.3708926740C16 3.41439652 -0.6982633470C17 2.43837118 -0.4806067940C182 0.4181872610C19 2.42938542 1.321308490N20 3.4031918 1.548688290H21 6.10905838 -1.293394450H22 6.92604399 -2.692298890H23 8.54602432 -2.684220550H24 9.3490181 -1.277237650H25 8.53203201 0.1216667970H26 5.66864443 1.550453190H27 4.87895441 1.804199220H28 4.89263391 -0.9390435810H29 5.67975426 -0.6774344440H30 3.14817739 -1.25819850H31 3.90105367 -1.082404970H32 1.83461142 -0.621582270 H33 2.44146299 -1.100599050!H34 1.51334286 0.8023288850"H35 1.5171982 0.02921116910#H36 2.42629361 1.941300750$H37 1.82424963 1.456255560%H38 3.53813887 2.15382409040                ! "!#"$#%$&%'0H00000000-0000-0000-0000-0000000000004yCF jfm@} O1322NƳE?B}JN-(1-benzylpyrrolidin-3-yl)-4,5-dihydro-1H-imidazol-2-amine, BBV-69412182^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96299916)3˙FWd-Ͼ(U?/|GaC V"@<׵C@n`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96299916Y*LH{, UORSY BB[[DD̍Wi C14H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-69412182q!:BJS\ 96299916뒣Am`$v nonpreferred'OB@{USDP̑LOYi:c1ccc(cc1)CN1CCC(C1)NC1=NCCN1}OSA$12b1d816-9fbd-4503-8239-33db694e6d4438C1 6.93263626 -3.293266530C2 7.79866171 -2.793266530C3 7.79866171 -1.793266420C4 6.93263626 -1.293266420C5 6.06661081 -1.793266420C6 6.06661081 -2.793266530C7 6.93263626 -0.2932664450N8 6.06661081 0.206733540C9 5.1530652 -0.2000031020 C10 4.4839344 0.5431417230 C11 4.9839344 1.409167170 C12 5.96208239 1.201255440 N13 4.57719803 2.322712660 C14 3.58267617 2.427241090N15 3.08267617 3.293266530C16 2.10452843 3.08535480C172 2.090832950N18 2.91354537 1.684096220H19 6.93263626 -3.913266420H20 8.33559704 -3.103266480H21 8.33559704 -1.483266350H22 5.52967501 -1.483266350H23 5.52967501 -3.103266480H24 7.54321718 -0.4009283190H25 7.14468861 0.289342970H26 4.65147448 -0.5644299980H27 5.46306515 -0.7369388340H28 3.98234391 0.9075685740H29 4.06907368 0.08239188790H30 4.36478424 1.441615580H31 6.58208227 1.201255440H32 6.0268898 1.817859050 H33 4.94162464 2.824303150!H34 2.03972077 3.701958420"H35 1.48452842 3.08535480#H36 1.39354849 2.219738250$H37 1.80840945 1.501177910%H38 3.04245067 1.07764471040                 ! "!#"$#%$&%'0H00000000-0000-0000-0000-000000000000?EBލ} jfm@} O1323NƳE?B} BBV-43039149^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96801125)3˙FWd-Ͼ(U?/|GaC V"@p<׵C@nX A@*̟ŗ MFCD22899129McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96801125Y*LH{,UORSY BB - Backordered[[DD̍Wi C13H16N4Oe1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-43039149q!:BJS\ 96801125뒣Am`$v nonpreferred'OB@{USDP̑LOYi@O=C1N=C(C2(N1)CCN(C2)Cc1ccccc1)NOSA$dc5c900c-6cdf-4dd4-a6be-81382e119fa934O1 5.30860853 3.718176840C2 4.72082329 2.90915990N3 3.72082329 2.90915990C4 3.41180634 1.958103420C5 4.22082329 1.370318170N6 5.02984047 1.958103420C7 3.41180634 0.782532930C8 3.72082329 -0.168523580N9 4.72082329 -0.168523580 C10 5.02984047 0.782532930 C11 5.30860853 -0.9775405530 C12 4.90187168 -1.891085980 C13 3.90735006 -1.995614530 C14 3.50061345 -2.90915990C15 4.08839846 -3.718176840C16 5.08292055 -3.613648410C17 5.4896574 -2.700103040N18 2.46074986 1.649086480H19 5.61949539 1.766512870H20 3.1018064 1.319468740H21 2.8454082 0.5303562280H22 3.11437178 -0.2974288170H23 3.78563094 -0.7851271630H24 5.59623861 0.5303561690H25 5.33984041 1.319468740H26 5.82261181 -1.324240210H27 5.73929691 -0.5315498710H28 3.54292321 -1.494024040H29 2.88400984 -2.973967550H30 3.83622169 -4.284574990H31 5.44734716 -4.115239140H32 6.10626078 -2.635295390 H33 2.33184457 1.042634960!H342 2.06394744036                  ! "!#0H00000000-0000-0000-0000-000000000000k6}MTDs  jfm@} O1323NƳE?B} BBV-69335316^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96707286)3˙FWd-Ͼ(U?/|GaC V"@<׵C@n`A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96707286Y*LH{,UORSY BB - Backordered[[DD̍Wi C14H20N4e1\@,Wʹu4O}8V570G5ҊUIgxvJ`i BBV-69335316q!:BJS\ 96707286뒣Am`$v nonpreferred'OB@{USDP̑LOYi:CC1N(CCC21CN=C(N2)N)Cc1ccccc1OSA$637a1ad5-6a9c-4279-a465-e8ce00422dcc38C1 5.46446228 0.8083508610C2 4.5134058 0.4993338290N3 4.20438862 -0.4517226820C4 3.20438886 -0.4517226820C5 2.89537191 0.4993338290C6 3.70438886 1.08711910C7 4.5134058 1.674904350N8 4.20438862 2.625960830C9 3.20438886 2.625960830 N10 2.89537191 1.674904350 N11 2.61660361 3.434977770 C12 4.79217386 -1.260739680 C13 4.38543749 -2.174285170 C14 3.39091563 -2.27881360C15 2.98417878 -3.192358970C16 3.57196426 -4.001376150C17 4.56648588 -3.896847490C18 4.97322273 -2.983302120H19 5.65605307 0.2186958340H20 6.0541172 0.9999414090H21 5.27287149 1.398005840H22 4.95181179 0.06092759220H23 2.59793735 -0.5806279180H24 3.26919651 -1.068326230H25 2.58537197 1.036269550H26 2.32897377 0.2471571270H27 4.82340574 1.137968660H28 5.07980394 1.927081110H29 2.30571675 1.48331380H302 3.370170120H31 2.86878037 4.001376150H32 5.30617714 -1.607439160 H33 5.22286224 -0.8147490020!H34 3.02648878 -1.777222990"H35 2.36757517 -3.257166620#H36 3.31978774 -4.56777430$H37 4.93091297 -4.398437980%H38 5.58982611 -2.91849446040               ! " !#"$#%$&%'0H00000000-0000-0000-0000-000000000000kH, jfm@} O580NƳE?B} PB2285271244^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=102833920)3˙FWd-Ͼ(U/|GaC V"<׵C@nA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=102833920Y*LH{,UORSY[[DD̍Wi C15H20N2Oe1\@,Wʹu4O}8V570G5ҊUIxvJ`i PB2285271244q!:BJS\ 102833920뒣Am`$v nonpreferred'OB@{P̑LOYiPCc1cccc(c1)C(=O)N1C[C@H]2[C@@H](C1)CCN2C3OSA$9ad304d3-55ec-46c8-8922-38fbd682cb5538C12 -1.310639020C23 -1.310639020C33.5 -2.176664350C44.5 -2.176664350C55 -1.310639020C64.5 -0.4446136360C73.5 -0.4446136360C85 0.4214117830O94.5 1.28743720 N106 0.4214117830 C11 6.58778524 1.230428810 C12 7.53884172 0.9214117530 H13 7.53994513 1.771411060 C14 7.53884172 -0.07858822490H15 7.53994513 -0.9285874960C16 6.58778524 -0.387605220C17 8.48506165 -0.383320540C18 9.06867027 0.4214117830N19 8.48506165 1.226144080C20 8.79572392 2.176664350H212 -0.6906390190H221.38 -1.310639020H232 -1.930639030H24 3.19000006 -2.713600160H25 4.80999994 -2.713600160H26 5.61999989 -1.310639020H27 3.19000006 0.09232211860H28 6.83996201 1.796826960H29 6.05084944 1.540428760H30 6.05084944 -0.6976051930H31 6.83996201 -0.9540033940H32 8.23402882 -0.9502267240 H33 9.02244377 -0.6925457720!H34 9.52954006 0.006683768240"H35 9.52954006 0.8361397980#H36 9.38504696 1.984053730$H37 8.98833466 2.765986920%H38 8.20640087 2.36927509040                 ! "!#"$#%$&%'0H00000000-0000-0000-0000-000000000000^2Kc= jfm@} O64NƳE?B}1759049^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=179697463)3˙FWd-Ͼ(U/|GaC V"<׵C@nA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=179697463Y*LH{,Otava[[DD̍Wi C15H20N2Oe1\@,Wʹu4O}8V570G5ҊUIxvJ`i1759049q!:BJS\ 179697463뒣Am`$v nonpreferred'OB@{P̑LOYi:O=C(c1ccccc1)N1CCC(C1)N1CCCC1OSA$269db16d-fe48-46a0-93b6-52dc1dd7526c38O1 6.30413961 -0.1125746370C2 5.43811417 -0.6125746370C3 5.43811417 -1.612574580C4 4.57208872 -2.112574580C5 4.57208872 -3.112574580C6 5.43811417 -3.612574580C7 6.30413961 -3.112574580C8 6.30413961 -2.112574580N9 4.57208872 -0.1125746370 C10 3.65854335 -0.5193113090 C11 2.98941278 0.2238335460 C12 3.48941278 1.089859010 C13 4.46756029 0.8819472790 N14 3.08267617 2.003404380C15 3.58267617 2.869429830C16 2.91354537 3.612574580C172 3.205837970C18 2.10452843 2.211316110H19 4.03515291 -1.802574520H20 4.03515291 -3.422574520H21 5.43811417 -4.232574460H22 6.84107542 -3.422574520H23 6.84107542 -1.802574520H24 3.15695286 -0.883738160H25 3.96854329 -1.0562470H26 2.48782229 0.5882604120H27 2.57455182 -0.2369162290H28 3.87959146 1.571689490H29 5.08756018 0.8819472790H30 4.53236818 1.498550890H31 4.08426666 2.505002980H32 3.99753714 3.330179690 H33 3.41513586 3.977001430!H34 2.60354543 4.149510380"H35 1.80840945 3.795492890#H36 1.39354849 3.076932670$H37 1.48452842 2.211316110%H38 2.03972077 1.5947125040                     ! "!#"$#%$&%'0H00000000-0000-0000-0000-000000000000;~XLɅs?; jfm@} ONƳE?B}1-METHYL-4-PHENYLPIPERAZINE, 1-Methyl-4-phenylpiperazine, 1-methyl-4-phenylpiperazine, 157465, 78858, Bellen008013, IMED52741641, JPM2-00-2481, QJ-0208^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@fAA@*̟ŗMcK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=1946760Y*LH{,[[DD̍Wi C11H16N2e1\@,W13480-21-2, 3074-43-9ʹu4O}8V570G5ҊUIxvJ`iq!:BJS\1946760뒣Am`$v'OB@{P̑LOYi&CN1CCN(CC1)c1ccccc1OSA$a1dbfb61-939d-4013-995f-adb075e3b29829C1 2.8660254530N2 2.8660254520C3 3.73205091.50C4 3.73205090.50N5 2.8660254500C620.50C721.50C8 2.86602545-10C92-1.50 C102-2.50 C11 2.86602545-30 C12 3.7320509-2.50 C13 3.7320509-1.50 H14 3.4860253330H15 2.86602545 3.619999890H16 2.2460255630H17 4.34263182 1.392338160H18 3.94410348 2.082609420H19 3.94410348 -0.082609430H20 4.34263182 0.6076618430H21 1.3894192 0.6076618430H22 1.78794754 -0.082609430H23 1.78794754 2.082609420H24 1.3894192 1.392338160H25 1.46306419 -1.189999940H26 1.46306419 -2.809999940H27 2.86602545 -3.619999890H28 4.2689867 -2.809999940H29 4.2689867 -1.18999994030               0H00000000-0000-0000-0000-000000000000A lBcYz jfm@} O104NƳE?B}1-PHENYL-PIPERAZIN-2-ONE, 1-Phenyl-piperazin-2-one, 1-Phenylpiperazin-2-one, 1-phenylpiperazin-2-one, 165688, 4089000, 4102112, 65R0073, 74863, AK130188, AX8028300, B28300, BBV-38267903, EN300-151651, QB-6602, Y-2377^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=11488411)3˙FWd-Ͼ(U/|GaC V"<׵C@f@A@*̟ŗ MFCD06658505McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=11488411Y*LH{, ChemBridge[[DD̍Wi C10H12N2Oe1\@,W 90917-86-5ʹu4O}20?8OSA$4eea1829-8a7c-42f8-996a-1f65a62c68fd25O12 0.1899999980C2 2.86602497 0.6899999980C3 2.86602497 1.690000060N4 3.7320509 2.190000060C5 4.59807587 1.690000060C6 4.59807587 0.6899999980N7 3.7320509 0.1899999980C8 3.7320509 -0.8100000020 C9 2.86602497 -1.309999940 C10 2.86602497 -2.309999940 C11 3.7320509 -2.809999940 C12 4.59807587 -2.309999940 C13 4.59807587 -1.309999940H14 2.65397312.2726090H152.255445 1.582337980H16 3.7320509 2.809999940H17 5.20865679 1.582337980H18 4.810129172.2726090H19 4.81012917 0.1073905970H20 5.20865679 0.7976617810H21 2.32909012 -0.9999998810H22 2.32909012 -2.619999890H23 3.7320509 -3.430000070H24 5.13501215 -2.619999890H25 5.13501215 -0.999999881026               002432106541617181978910111224232221201314252312011656453441641751851967788991010111112712122411231022921820213214V570G5ҊUIxvJ`i4102112q!:BJS\ 11488411뒣Am`$v preferred'OB@{P̑LOYi$O=C1CNCCN1c1ccccc1OSA$4eea1829-8a7c-42f8-996a-1f65a62c68fd25O12 0.1899999980C2 2.86602545 0.6899999980C3 2.86602545 1.690000060N4 3.7320509 2.190000060C5 4.59807634 1.690000060C6 4.59807634 0.6899999980N7 3.7320509 0.1899999980C8 3.7320509 -0.8100000020C9 2.86602545 -1.309999940 C10 2.86602545 -2.309999940 C11 3.7320509 -2.809999940 C12 4.59807634 -2.309999940 C13 4.59807634 -1.309999940 H14 2.65397286 2.272609470H15 2.25544453 1.582338210H16 3.7320509 2.809999940H17 5.20865726 1.582338210H18 4.81012869 2.272609470H19 4.81012869 0.1073905680H20 5.20865726 0.7976618410H21 2.32908964 -0.999999940H22 2.32908964 -2.619999890H23 3.7320509 -3.429999830H24 5.13501215 -2.619999890H25 5.13501215 -0.99999994026               0H00000000-0000-0000-0000-0000000000006F'$N,>C jfm@} ONƳE?B}W1-(2-METHYLPHENYL)-PIPERAZINE, 1-(2-Methylphenyl)-piperazine, 1-(2-Methylphenyl)piperazine, 1-(2-methylphenyl)piperazine, 1-(o-Tolyl)piperazine, 1-O-TOLYLPIPERAZINE, 1001, 38213, 3H32-1-91, 78855, AS23862, AX147565, AX8013373, B13373, B21705, BB01-7966, BBV-38790153, EN300-40735, FF01-7966, FS-1234, ST-9286, STL169115, T3404, U10668, Z-4210^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@fAA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=711743Y*LH{,[[DD̍Wi C11H16N2e1\@,W 39512-51-1ʹu4O}21?8OSA$f3be3210-c202-4df1-ad20-fce198e3929029C12 -0.8100000020C2 2.86602497 -1.309999940C3 2.86602497 -2.309999940C4 3.7320509 -2.809999940C5 4.59807587 -2.309999940C6 4.59807587 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980 C9 2.86602497 0.6899999980 C10 2.86602497 1.690000060 N11 3.7320509 2.190000060 C12 4.59807587 1.690000060 C13 4.59807587 0.6899999980H14 2.30999994 -0.2730641960H15 1.46306396 -0.5000001190H16 1.69000006 -1.346935990H17 2.32909012 -2.619999890H18 3.7320509 -3.430000070H19 5.13501215 -2.619999890H20 5.13501215 -0.9999998810H212.255445 0.7976617810H22 2.6539731 0.1073905970H23 2.65397312.2726090H242.255445 1.582337980H25 3.7320509 2.809999940H26 5.20865679 1.582337980H27 4.810129172.2726090H28 4.81012917 0.1073905970H29 5.20865679 0.797661781030                  002810987654321013141516171819121125262728202122232991089786756453423120101301401516216317418519712111210111125112612271228820821922923V570G5ҊUIxvJ`iq!:BJS\711743뒣Am`$v'OB@{P̑LOYi"Cc1ccccc1N1CCNCC1OSA$f3be3210-c202-4df1-ad20-fce198e3929029C12 -0.8100000020C2 2.86602545 -1.309999940C3 2.86602545 -2.309999940C4 3.7320509 -2.809999940C5 4.59807634 -2.309999940C6 4.59807634 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980C9 2.86602545 0.6899999980 C10 2.86602545 1.690000060 N11 3.7320509 2.190000060 C12 4.59807634 1.690000060 C13 4.59807634 0.6899999980 H14 2.30999994 -0.2730642260H15 1.46306419 -0.500000060H16 1.69000006 -1.346935750H17 2.32908964 -2.619999890H18 3.7320509 -3.429999830H19 5.13501215 -2.619999890H20 5.13501215 -0.999999940H21 2.25544453 0.7976618410H22 2.65397286 0.1073905680H23 2.65397286 2.272609470H24 2.25544453 1.582338210H25 3.7320509 2.809999940H26 5.20865726 1.582338210H27 4.81012869 2.272609470H28 4.81012869 0.1073905680H29 5.20865726 0.797661841030                  0H00000000-0000-0000-0000-000000000000kwsIIAM0h}e jfm@} O1432NƳE?B}&2-Methyl-1-phenylpiperazine, TS-02446^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=50763605)3˙FWd-Ͼ(U/|GaC V"<׵C@fAA@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=50763605Y*LH{,.Key Organics/BIONET - Screening and Fragments[[DD̍Wi C11H16N2e1\@,W 2946-76-1ʹu4O}22?8OSA$c06133ac-f4e0-42ad-9c4d-455afc293bb229C12 0.1899999980C2 2.86602497 0.6899999980H3 2.86602497 0.07000000030C4 2.86602497 1.690000060N5 3.7320509 2.190000060C6 4.59807587 1.690000060C7 4.59807587 0.6899999980N8 3.7320509 0.1899999980 C9 3.7320509 -0.8100000020 C10 2.86602497 -1.309999940 C11 2.86602497 -2.309999940 C12 3.7320509 -2.809999940 C13 4.59807587 -2.309999940C14 4.59807587 -1.309999940H15 1.69000006 0.7269356850H16 1.46306396 -0.1199999970H17 2.30999994 -0.3469356890H18 2.65397312.2726090H192.255445 1.582337980H20 3.7320509 2.809999940H21 5.20865679 1.582337980H22 4.810129172.2726090H23 4.81012917 0.1073905970H24 5.20865679 0.7976617810H25 2.32909012 -0.9999998810H26 2.32909012 -2.619999890H27 3.7320509 -3.430000070H28 5.13501215 -2.619999890H29 5.13501215 -0.999999881030                0028431014151627652021222389101112132827262524171829341301014015016121767564552052162262378899101011111212138131328122711261025924317318V570G5ҊUIxvJ`i TS-02446q!:BJS\ 50763605뒣Am`$v preferred'OB@{P̑LOYi*C[C@H]1CNCCN1c1ccccc1OSA$c06133ac-f4e0-42ad-9c4d-455afc293bb229C12 0.1899999980C2 2.86602545 0.6899999980H3 2.86602545 0.07000000030C4 2.86602545 1.690000060N5 3.7320509 2.190000060C6 4.59807634 1.690000060C7 4.59807634 0.6899999980N8 3.7320509 0.1899999980C9 3.7320509 -0.8100000020 C10 2.86602545 -1.309999940 C11 2.86602545 -2.309999940 C12 3.7320509 -2.809999940 C13 4.59807634 -2.309999940 C14 4.59807634 -1.309999940H15 1.69000006 0.7269357440H16 1.46306419 -0.119999990H17 2.30999994 -0.3469357490H18 2.65397286 2.272609470H19 2.25544453 1.582338210H20 3.7320509 2.809999940H21 5.20865726 1.582338210H22 4.81012869 2.272609470H23 4.81012869 0.1073905680H24 5.20865726 0.7976618410H25 2.32908964 -0.999999940H26 2.32908964 -2.619999890H27 3.7320509 -3.429999830H28 5.13501215 -2.619999890H29 5.13501215 -0.99999994030                0H00000000-0000-0000-0000-000000000000+Lw I jfm@} O1365NƳE?B}$1-Phenylpiperazin-2-imine, AK457464^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=81847119)3˙FWd-Ͼ(U/|GaC V"<׵C@e\ A@*̟ŗ MFCD28959228McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=81847119Y*LH{,Ark Pharm - POA[[DD̍Wi C10H13N3e1\@,W 693210-97-8ʹu4O}23?8OSA$059a3b8f-5c0b-4894-85a2-1d94822f4aa526N1 2.53693604 0.1899999980C2 3.40296102 0.6899999980C3 3.40296102 1.690000060N4 4.26898718 2.190000060C5 5.13501215 1.690000060C6 5.13501215 0.6899999980N7 4.26898718 0.1899999980C8 4.26898718 -0.8100000020 C9 3.40296102 -1.309999940 C10 3.40296102 -2.309999940 C11 4.26898718 -2.809999940 C12 5.13501215 -2.309999940 C13 5.13501215 -1.309999940H1420.50H15 3.190908912.2726090H16 2.79238009 1.582337980H17 4.26898718 2.809999940H18 5.74559307 1.582337980H19 5.347064022.2726090H20 5.34706402 0.1073905970H21 5.74559307 0.7976617810H22 2.86602497 -0.9999998810H23 2.86602497 -2.619999890H24 4.26898718 -3.430000070H25 5.67194796 -2.619999890H26 5.67194796 -0.999999881027               00253210136541718192078910111225242322211415262312010131656453441741851952067788991010111112712122511241023922821214215V570G5ҊUIxvJ`i AK457464q!:BJS\ 81847119뒣Am`$v preferred'OB@{P̑LOYi$N=C1CNCCN1c1ccccc1OSA$059a3b8f-5c0b-4894-85a2-1d94822f4aa526N1 2.53693581 0.1899999980C2 3.40296125 0.6899999980C3 3.40296125 1.690000060N4 4.2689867 2.190000060C5 5.13501215 1.690000060C6 5.13501215 0.6899999980N7 4.2689867 0.1899999980C8 4.2689867 -0.8100000020C9 3.40296125 -1.309999940 C10 3.40296125 -2.309999940 C11 4.2689867 -2.809999940 C12 5.13501215 -2.309999940 C13 5.13501215 -1.309999940 H1420.50H15 3.19090867 2.272609470H16 2.79238033 1.582338210H17 4.2689867 2.809999940H18 5.74559307 1.582338210H19 5.3470645 2.272609470H20 5.3470645 0.1073905680H21 5.74559307 0.7976618410H22 2.86602545 -0.999999940H23 2.86602545 -2.619999890H24 4.2689867 -3.429999830H25 5.67194796 -2.619999890H26 5.67194796 -0.99999994027               0H00000000-0000-0000-0000-000000000000:zk~BӐIY jfm@} ONƳE?B}1-(3-METHYLPHENYL)-PIPERAZINE, 1-(3-Methylphenyl)-piperazine, 1-(3-Methylphenyl)piperazine, 1-(3-methylphenyl)piperazine, 1-(m-Tolyl)piperazine, 1-M-TOLYLPIPERAZINE, 102679, 1047704, 1153, 219994, 34595, 37440, 3H32-1-93, 78850, AGN-PC-0JLUBD, ALBB-005958, AM-1965, BB57-0200, BBV-00006115, BBV-184403, BP-10761, EN300-23498, F2190-0518, FS-1235, JK102679, R092-0050, R1690, STK500994, T2260^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@fAA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=716504Y*LH{,[[DD̍Wi C11H16N2e1\@,W 41186-03-2ʹu4O}24?8OSA$e9030ee4-3d87-4c5a-ae46-12c9ffb0bf1829C12 -2.809999940C2 2.86602497 -2.309999940C3 3.7320509 -2.809999940C4 4.59807587 -2.309999940C5 4.59807587 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602497 -1.309999940N8 3.7320509 0.1899999980 C9 2.86602497 0.6899999980 C10 2.86602497 1.690000060 N11 3.7320509 2.190000060 C12 4.59807587 1.690000060 C13 4.59807587 0.6899999980H14 1.69000006 -2.27306390H15 1.46306396 -3.119999890H16 2.30999994 -3.346935990H17 3.7320509 -3.430000070H18 5.13501215 -2.619999890H19 5.13501215 -0.9999998810H20 2.32909012 -0.9999998810H212.255445 0.7976617810H22 2.6539731 0.1073905970H23 2.65397312.2726090H242.255445 1.582337980H25 3.7320509 2.809999940H26 5.20865679 1.582337980H27 4.810129172.2726090H28 4.81012917 0.1073905970H29 5.20865679 0.797661781030                  002810987543210131415619161718121125262728202122232991089785745342312010130140151656619216317418712111210111125112612271228820821922923V570G5ҊUIxvJ`iq!:BJS\716504뒣Am`$v'OB@{P̑LOYi&Cc1cccc(c1)N1CCNCC1OSA$e9030ee4-3d87-4c5a-ae46-12c9ffb0bf1829C12 -2.809999940C2 2.86602545 -2.309999940C3 3.7320509 -2.809999940C4 4.59807634 -2.309999940C5 4.59807634 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602545 -1.309999940N8 3.7320509 0.1899999980C9 2.86602545 0.6899999980 C10 2.86602545 1.690000060 N11 3.7320509 2.190000060 C12 4.59807634 1.690000060 C13 4.59807634 0.6899999980 H14 1.69000006 -2.273064140H15 1.46306419 -3.119999890H16 2.30999994 -3.346935750H17 3.7320509 -3.429999830H18 5.13501215 -2.619999890H19 5.13501215 -0.999999940H20 2.32908964 -0.999999940H21 2.25544453 0.7976618410H22 2.65397286 0.1073905680H23 2.65397286 2.272609470H24 2.25544453 1.582338210H25 3.7320509 2.809999940H26 5.20865726 1.582338210H27 4.81012869 2.272609470H28 4.81012869 0.1073905680H29 5.20865726 0.797661841030                  0H00000000-0000-0000-0000-000000000000 AMW(y jfm@} ONƳE?B}51-(4-METHYLPHENYL)PIPERAZINE, 1-(4-Methylphenyl)-piperazine, 1-(4-Methylphenyl)piperazine, 1-(4-methylphenyl)piperazine, 1-(p-Tolyl)piperazine, 105580, 1154, 157683, 37083, 3H32-1-92, AGN-PC-0JLUBF, AS74372, BBV-29350326, EN300-133334, F16015, FCH4633940, FS-1236, JK105580, K-8503, SS-4311, STL169113, T2956^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@fAA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=529586Y*LH{,[[DD̍Wi C11H16N2e1\@,W 39593-08-3ʹu4O}25?8OSA$8d13da80-2eec-4423-bf68-3974dd5f467f29C1 2.86602497 -3.309999940C2 2.86602497 -2.309999940C3 3.7320509 -1.809999940C4 3.7320509 -0.8100000020C5 2.86602497 -0.3100000020C62 -0.8100000020C72 -1.809999940N8 2.86602497 0.6899999980 C9 3.7320509 1.190000060 C10 3.7320509 2.190000060 N11 2.86602497 2.690000060 C122 2.190000060 C132 1.190000060H14 2.24602604 -3.309999940H15 2.86602497 -3.930000070H16 3.48602509 -3.309999940H17 4.26898718 -2.119999890H18 4.26898718-0.50H19 1.46306396-0.50H20 1.46306396 -2.119999890H213.944103 0.6073905830H22 4.34263182 1.297662020H23 4.34263182 2.082338090H243.9441032.7726090H25 2.86602497 3.309999940H26 1.787948012.7726090H27 1.38941896 2.082338090H28 1.38941896 1.297662020H29 1.78794801 0.607390583030                  002810987432101314156518191617121125262728202122232991089784734231201013014015165645518619216317712111210111125112612271228820821922923V570G5ҊUIxvJ`iq!:BJS\529586뒣Am`$v'OB@{P̑LOYi&Cc1ccc(cc1)N1CCNCC1QOSA$8d13da80-2eec-4423-bf68-3974dd5f467f29C1 2.86602545 -3.309999940C2 2.86602545 -2.309999940C3 3.7320509 -1.809999940C4 3.7320509 -0.8100000020C5 2.86602545 -0.3100000020C62 -0.8100000020C72 -1.809999940N8 2.86602545 0.6899999980C9 3.7320509 1.190000060 C10 3.7320509 2.190000060 N11 2.86602545 2.690000060 C122 2.190000060 C132 1.190000060 H14 2.24602556 -3.309999940H15 2.86602545 -3.929999830H16 3.48602533 -3.309999940H17 4.2689867 -2.119999890H18 4.2689867-0.50H19 1.46306419-0.50H20 1.46306419 -2.119999890H21 3.94410348 0.6073906420H22 4.34263182 1.29766190H23 4.34263182 2.082338090H24 3.94410348 2.772609470H25 2.86602545 3.309999940H26 1.78794754 2.772609470H27 1.3894192 2.082338090H28 1.3894192 1.29766190H29 1.78794754 0.607390642030                  0H00000000-0000-0000-0000-000000000000&v%C.UD jfm@} O1365NƳE?B}32,3-Dihydro-1,4-ethanoquinoxalin-6-amine, AK434876^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=81810446)3˙FWd-Ͼ(U/|GaC V"<׵C@e\ A@*̟ŗ MFCD00474055McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=81810446Y*LH{,Ark Pharm - POA[[DD̍Wi C10H13N3e1\@,W 120287-67-4ʹu4O}8V570G5ҊUIxvJ`i AK434876q!:BJS\ 81810446뒣Am`$v preferred'OB@{P̑LOYi*Nc1ccc2c(c1)N1CCN2CC1OSA$843be0b2-f502-48a4-9f59-13193ef94ef426N1 2.61099124 -1.864256740C2 3.25082135 -1.095740440C3 2.89456272 -0.1169275790C4 3.57024145 0.6758227350C5 4.59313679 0.4791516070C6 4.9351573 -0.460541040C7 4.27799129 -1.268704410N8 6.30786228 0.1314791140C9 5.33006716 1.946044560 C10 6.19609261 2.446044450 N11 6.56668139 1.097404960 C12 7.96562004 0.5885859130 C13 7.70680094 -0.3773399290 H14 2.82528782 -2.446044450H152 -1.758949160H16 2.28440142-0.006912993730H17 3.36493993 1.260845180H18 4.49676657 -1.848822830H19 5.02533484 2.485987420H20 4.78716898 1.646609070H21 6.77779627 2.660568710H22 5.93287706 3.007397650H23 8.55958652 0.410811990H24 8.16055012 1.177145360H25 7.51187038 -0.9658993480H26 8.3007679 -0.555113852028                  0H00000000-0000-0000-0000-000000000000Xv5I}Ũ!:o jfm@} O729NƳE?B}r3-Methyl-1-phenylpiperazine, 3-methyl-1-phenylpiperazine, 4090252, AX8157834, B157834, BBV-34568676, EN300-124592^GP~ܛr?!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=2793805)3˙FWd-Ͼ(U?/|GaC V"@o<׵C@fAA@*̟ŗ MFCD06804051McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=2793805Y*LH{,Enamine BB - EU Stock[[DD̍Wi C11H16N2e1\@,W 72615-78-2ʹu4O}26?8OSA$6af6cf89-4a25-4fa7-993f-e3b3160875bd29C12 2.190000060C2 2.86602497 1.690000060N3 3.7320509 2.190000060C4 4.59807587 1.690000060C5 4.59807587 0.6899999980N6 3.7320509 0.1899999980C7 2.86602497 0.6899999980C8 3.7320509 -0.8100000020 C9 2.86602497 -1.309999940 C10 2.86602497 -2.309999940 C11 3.7320509 -2.809999940 C12 4.59807587 -2.309999940 C13 4.59807587 -1.309999940H14 2.30999994 2.72693610H15 1.463063962.50H16 1.69000006 1.653064010H17 2.86602497 2.309999940H18 3.7320509 2.809999940H19 5.20865679 1.582337980H20 4.810129172.2726090H21 4.81012917 0.1073905970H22 5.20865679 0.7976617810H232.255445 0.7976617810H24 2.6539731 0.1073905970H25 2.32909012 -0.9999998810H26 2.32909012 -2.619999890H27 3.7320509 -3.430000070H28 5.13501215 -2.619999890H29 5.13501215 -0.999999881030               00282101314156543181920217891011122827262524222316291201013014015165645342331831942042157788991010111112712122811271026925824622623116V570G5ҊUIgxvJ`i EN300-124592q!:BJS\2793805뒣Am`$v preferred'OB@{USDP̑LOYi&CC1NCCN(C1)c1ccccc1vOSA$6af6cf89-4a25-4fa7-993f-e3b3160875bd29C12 2.190000060C2 2.86602545 1.690000060N3 3.7320509 2.190000060C4 4.59807634 1.690000060C5 4.59807634 0.6899999980N6 3.7320509 0.1899999980C7 2.86602545 0.6899999980C8 3.7320509 -0.8100000020C9 2.86602545 -1.309999940 C10 2.86602545 -2.309999940 C11 3.7320509 -2.809999940 C12 4.59807634 -2.309999940 C13 4.59807634 -1.309999940 H14 2.30999994 2.726935860H15 1.463064192.50H16 1.69000006 1.653064250H17 2.86602545 2.309999940H18 3.7320509 2.809999940H19 5.20865726 1.582338210H20 4.81012869 2.272609470H21 4.81012869 0.1073905680H22 5.20865726 0.7976618410H23 2.25544453 0.7976618410H24 2.65397286 0.1073905680H25 2.32908964 -0.999999940H26 2.32908964 -2.619999890H27 3.7320509 -3.429999830H28 5.13501215 -2.619999890H29 5.13501215 -0.99999994030               0H00000000-0000-0000-0000-000000000000W+W%@A(.'`h3& jfm@} O654NƳE?B}1-PHENYLPIPERAZINE, 1-Phenyl-piperazine, 1-Phenylpiperazine, 1-Phenylpiperazine-d4, 1-phenylpiperazine, N-Phenylpiperazine, 06901, 13082, 157463, 229689, 500001119, 502045564, 67584, 75097, A-13884, A12610, AGN-PC-0BXM6T, AJP02207, AS34243, AX8012206, B12206, BAS, BBL027548, BBS-00003581, BBV-38790044, BB_SC-06514, CHH09000, EN300-19013, F2190-0343, FP10343, JK229689, LF-0549, M-6360, P0980, P336042, PB234972729^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=530212)3˙FWd-Ͼ(U@9/|GaC V"@><׵C@dGlA@*̟ŗ MFCD00005957McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=530212Y*LH{,Acros Organics (EUD)[[DD̍Wi C10H14N2e1\@,W63921-23-3, 92-54-6ʹu4O}27?8OSA$87ef0ee2-8bb0-40e1-8504-3da163955eb226N1 2.86602497 2.190000060C2 3.7320509 1.690000060C3 3.7320509 0.6899999980N4 2.86602497 0.1899999980C52 0.6899999980C62 1.690000060C7 2.86602497 -0.8100000020C82 -1.309999940 C92 -2.309999940 C10 2.86602497 -2.809999940 C11 3.7320509 -2.309999940 C12 3.7320509 -1.309999940 H13 2.86602497 2.809999940H14 4.34263182 1.582337980H153.9441032.2726090H163.944103 0.1073905970H17 4.34263182 0.7976617810H18 1.38941896 0.7976617810H19 1.78794801 0.1073905970H20 1.787948012.2726090H21 1.38941896 1.582337980H22 1.46306396 -0.9999998810H23 1.46306396 -2.619999890H24 2.86602497 -3.430000070H25 4.26898718 -2.619999890H26 4.26898718 -0.999999881027              002501234519201718678910112524232221151613142601122334450551952041741836677889910101161111251024923822721215216113114V570G5ҊUIgxvJ`i13082q!:BJS\530212뒣Am`$v preferred'OB@{USDP̑LOYi$N1CCN(CC1)c1ccccc1OSA$87ef0ee2-8bb0-40e1-8504-3da163955eb226N1 2.86602545 2.190000060C2 3.7320509 1.690000060C3 3.7320509 0.6899999980N4 2.86602545 0.1899999980C52 0.6899999980C62 1.690000060C7 2.86602545 -0.8100000020C82 -1.309999940C92 -2.309999940 C10 2.86602545 -2.809999940 C11 3.7320509 -2.309999940 C12 3.7320509 -1.309999940 H13 2.86602545 2.809999940 H14 4.34263182 1.582338210H15 3.94410348 2.272609470H16 3.94410348 0.1073905680H17 4.34263182 0.7976618410H18 1.3894192 0.7976618410H19 1.78794754 0.1073905680H20 1.78794754 2.272609470H21 1.3894192 1.582338210H22 1.46306431 -0.999999940H23 1.46306419 -2.619999890H24 2.86602545 -3.429999830H25 4.2689867 -2.619999890H26 4.2689867 -0.99999994027              0H00000000-0000-0000-0000-0000000000000@"Mݴ jfm@} O1391NƳE?B}_4-Phenylpiperazine-1-carbonitrile, 4-phenylpiperazine-1-carbonitrile, AK664512, IMED1216914637^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=109873102)3˙FWd-Ͼ(U?/|GaC V"@<׵C@gg@A@*̟ŗ MFCD18810851McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=109873102Y*LH{,Intermed - BB[[DD̍Wi C11H13N3e1\@,W 77464-04-1ʹu4O}8V570G5ҊUIgxvJ`iIMED1216914637q!:BJS\ 109873102뒣Am`$v nonpreferred'OB@{USDP̑LOYi*N#CN1CCN(CC1)c1ccccc1OSA$caf47854-2790-4a00-a161-d0e70a9ebadd27N1 2.866025453.50C2 2.866025452.50N3 2.866025451.50C4 3.732050910C5 3.73205091.11022302e-0150N6 2.86602545-0.50C722.22044605e-0160C8210C9 2.86602545-1.50 C102-20 C112-30 C12 2.86602545-3.50 C13 3.7320509-30 C14 3.7320509-20H15 4.34263182 0.8923381570H16 3.94410348 1.582609420H17 3.94410348 -0.5826094150H18 4.34263182 0.1076618660H19 1.3894192 0.1076618660H20 1.78794754 -0.5826094150H21 1.78794754 1.582609420H22 1.3894192 0.8923381570H23 1.46306419 -1.689999940H24 1.46306419 -3.309999940H25 2.86602545 -4.119999890H26 4.2689867 -3.309999940H27 4.2689867 -1.68999994028                0H00000000-0000-0000-0000-000000000000GÑwJ&Y|ˬ jfm@} O80NƳE?B}/1-Phenylpiperazine-2,3-dione, AK387353, P67187^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=44230272)3˙FWd-Ͼ(U/|GaC V"<׵C@g^@A@*̟ŗ MFCD09608129McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=44230272Y*LH{,Tyger Scientific[[DD̍Wi C10H10N2O2e1\@,W 59702-39-5ʹu4O}8V570G5ҊUIxvJ`iP67187q!:BJS\ 44230272뒣Am`$v nonpreferred'OB@{P̑LOYi,O=C1C(=O)NCCN1c1ccccc1`OSA$aaefbe58-9920-4555-bdf7-6f516a55e7ef24O12 0.1899999980C2 2.86602545 0.6899999980C3 2.86602545 1.690000060O42 2.190000060N5 3.7320509 2.190000060C6 4.59807634 1.690000060C7 4.59807634 0.6899999980N8 3.7320509 0.1899999980C9 3.7320509 -0.8100000020 C10 2.86602545 -1.309999940 C11 2.86602545 -2.309999940 C12 3.7320509 -2.809999940 C13 4.59807634 -2.309999940 C14 4.59807634 -1.309999940H15 3.7320509 2.809999940H16 5.20865726 1.582338210H17 4.81012869 2.272609470H18 4.81012869 0.1073905680H19 5.20865726 0.7976618410H20 2.32908964 -0.999999940H21 2.32908964 -2.619999890H22 3.7320509 -3.429999830H23 5.13501215 -2.619999890H24 5.13501215 -0.99999994025                0H00000000-0000-0000-0000-000000000000a Ja*E{^fu~c jfm@} O1365NƳE?B}|2,3,4,4A,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline, 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline, AK441310, DIV 01479^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=81821397)3˙FWd-Ͼ(U/|GaC V"<׵C@gA@*̟ŗ MFCD19374394McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=81821397Y*LH{,Ark Pharm - POA[[DD̍Wi C12H16N2e1\@,W 182208-61-3ʹu4O}28?8OSA$746d3e2d-8a08-43f3-bf3b-2214788e360130N1 2.53573704 -1.288115020C2 2.53573704 -0.2464845030C3 3.44180393 0.2673614030N4 4.33574581 -0.2672998910C5 4.33574581 -1.267300010C6 3.44180393 -1.801960950C7 5.20177078 -1.767300010C8 6.06779718 -1.267300010 C9 6.06779718 -0.2672998910 C10 5.20177078 0.2327000950 C11 5.185711861.2742070 C12 6.08374882 1.801960950 C13 6.98582697 1.281146050C14 6.97779799 0.2395458970H152 -1.600183010H16 2.3266809 0.3372071090H17 1.92488098 -0.3525770010H18 3.84640098 0.7371494170H19 3.04817796 0.7463800910H20 4.34052515 -1.887280940H21 3.04817796 -2.280980110H22 3.84640098 -2.271749020H23 4.80324316 -2.24224710H24 5.60029888 -2.24224710H25 6.27984905 -1.849908950H26 6.67837811 -1.159638050H27 4.64522696 1.577978010H28 6.08135891 2.421957020H29 7.52395391 1.589074020H30 7.51111317 -0.0766421109032                 00290123452021678910111213292827262425222319171815163101122334450552052146677889399101011111212138131329122811271026724725622623419217218115116V570G5ҊUIxvJ`i AK441310q!:BJS\ 81821397뒣Am`$v preferred'OB@{P̑LOYi,N1CCN2C(C1)CCc1c2cccc1OSA$746d3e2d-8a08-43f3-bf3b-2214788e360130N1 2.5357368 -1.288115260C2 2.5357368 -0.2464844730C3 3.44180369 0.2673613730N4 4.33574581 -0.2672998910C5 4.33574581 -1.267299890C6 3.44180369 -1.801961180C7 5.20177126 -1.767299890C8 6.06779671 -1.267299890C9 6.06779671 -0.2672998910 C10 5.20177126 0.2327001090 C11 5.18571186 1.274207120 C12 6.08374882 1.801961180 C13 6.98582745 1.281145810 C14 6.97779751 0.2395458670H152 -1.600182650H16 2.32668138 0.3372070790H17 1.92488134 -0.3525770010H18 3.84640121 0.7371494170H19 3.0481782 0.7463800910H20 4.34052515 -1.887281420H21 3.0481782 -2.280979870H22 3.84640121 -2.271749260H23 4.80324316 -2.242247340H24 5.60029936 -2.242247340H25 6.27984905 -1.849909310H26 6.67837763 -1.159638050H27 4.64522743 1.577977660H28 6.08135891 2.421956540H29 7.52395391 1.58907390H30 7.51111269 -0.0766421109032                0H00000000-0000-0000-0000-000000000000ۑ @ϝl'ґW jfm@} O689NƳE?B}|2,3,4,4A,5,6-HEXAHYDRO-1H-PYRAZINO[1,2-A]QUINOXALINE, 2,3,4,4a,5,6-Hexahydro-1H-pyrazino[1,2-a]quinoxaline, 165230, 65R0241^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=49835493)3˙FWd-Ͼ(U?/|GaC V"@<׵C@g9`A@*̟ŗ MFCD18449200McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=49835493Y*LH{,J & W PharmLab LLC[[DD̍Wi C11H15N3e1\@,W 73187-21-0ʹu4O}29?8OSA$37edc57f-73ab-4280-9cb5-a4563f9f9c3629N1 2.53573704 -1.288115020C2 2.53573704 -0.2464845030C3 3.44180393 0.2673614030N4 4.33574581 -0.2672998910C5 4.33574581 -1.267300010C6 3.44180393 -1.801960950C7 5.20177078 -1.767300010N8 6.06779718 -1.267300010 C9 6.06779718 -0.2672998910 C10 5.20177078 0.2327000950 C11 5.185711861.2742070 C12 6.08374882 1.801960950 C13 6.98582697 1.281146050C14 6.97779799 0.2395458970H152 -1.600183010H16 2.3266809 0.3372071090H17 1.92488098 -0.3525770010H18 3.84640098 0.7371494170H19 3.04817796 0.7463800910H20 4.34052515 -1.887280940H21 3.04817796 -2.280980110H22 3.84640098 -2.271749020H23 4.80324316 -2.24224710H24 5.60029888 -2.24224710H25 6.60473204 -1.577299950H26 4.64522696 1.577978010H27 6.08135891 2.421957020H28 7.52395391 1.589074020H29 7.51111317 -0.0766421109031                002801234520216789101112132827262524222319171815163001122334450552052146677889399101011111212138131328122711261025724622623419217218115116V570G5ҊUIgxvJ`i65R0241q!:BJS\ 49835493뒣Am`$v nonpreferred'OB@{USDP̑LOYi,N1CCN2C(C1)CNc1c2cccc1OSA$37edc57f-73ab-4280-9cb5-a4563f9f9c3629N1 2.5357368 -1.288115260C2 2.5357368 -0.2464844730C3 3.44180369 0.2673613730N4 4.33574581 -0.2672998910C5 4.33574581 -1.267299890C6 3.44180369 -1.801961180C7 5.20177126 -1.767299890N8 6.06779671 -1.267299890C9 6.06779671 -0.2672998910 C10 5.20177126 0.2327001090 C11 5.18571186 1.274207120 C12 6.08374882 1.801961180 C13 6.98582745 1.281145810 C14 6.97779751 0.2395458670H152 -1.600182650H16 2.32668138 0.3372070790H17 1.92488134 -0.3525770010H18 3.84640121 0.7371494170H19 3.0481782 0.7463800910H20 4.34052515 -1.887281420H21 3.0481782 -2.280979870H22 3.84640121 -2.271749260H23 4.80324316 -2.242247340H24 5.60029936 -2.242247340H25 6.60473204 -1.577299950H26 4.64522743 1.577977660H27 6.08135891 2.421956540H28 7.52395391 1.58907390H29 7.51111269 -0.0766421109031                0H00000000-0000-0000-0000-000000000000,+u'DȄ+ jfm@} O503NƳE?B}1-(4-CYANOPHENYL)PIPERAZINE, 1-(4-Cyanophenyl)-piperazine, 1-(4-Cyanophenyl)piperazine, 4-(1-PIPERAZINYL)BENZONITRILE, 4-(1-Piperazinyl)benzonitrile, 4-(Piperazin-1-yl)benzonitrile, 4-(piperazin-1-yl)benzonitrile, 4-Piperazin-1-yl-benzonitrile, 4-Piperazin-1-ylbenzonitrile, 4-Piperazinobenzenecarbonitrile, 4-Piperazinobenzonitrile, 4-piperazinobenzenecarbonitrile, 4-piperazinobenzonitrile, 107824, 165473, 1790, 29312, 3H37-1-1T, 44552, 4R-0247, 500026643, A-21533, AB9304, AD7538, AGN-PC-0KK6AV, AK-61904, AS21228, AX8022165, AXPR03462, B22165, BB10-5352, BP-10548, C-5892, EN300-133039, JK165473, MO07058, OR6866, ST-5229, XS001355, eWS-1031^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=533326)3˙FWd-Ͼ(U@9/|GaC V"@<׵C@gg@A@*̟ŗ MFCD01320890McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=533326Y*LH{,AOKBIO - INSTOCK[[DD̍Wi C11H13N3e1\@,W116290-72-3, 68104-63-2ʹu4O}30?8 OSA$2733781f-4435-4e23-96ca-c2cdb7c9179127N1 2.86602497 -3.809999940C2 2.86602497 -2.809999940C3 2.86602497 -1.809999940C4 3.7320509 -1.309999940C5 3.7320509 -0.3100000020C6 2.86602497 0.1899999980C72 -0.3100000020C82 -1.309999940 N9 2.86602497 1.190000060 C10 3.7320509 1.690000060 C11 3.7320509 2.690000060 N12 2.86602497 3.190000060 C132 2.690000060C142 1.690000060H15 4.26898718-1.620H16 4.268987183.53029805e-090H17 1.463063963.53029805e-090H18 1.46306396-1.620H193.9441031.1073910H20 4.34263182 1.797662020H21 4.34263182 2.582338090H223.9441033.2726090H23 2.86602497 3.809999940H24 1.787948013.2726090H25 1.38941896 2.582338090H26 1.38941896 1.797662020H27 1.787948011.107391028                    00261110985432107616171415131223242526181920212710119108958453423120127675661671731441581312131112122312241325132691891910201021V570G5ҊUIgxvJ`iAB9304q!:BJS\533326뒣Am`$v nonpreferred'OB@{USDP̑LOYi*N#Cc1ccc(cc1)N1CCNCC1OSA$2733781f-4435-4e23-96ca-c2cdb7c9179127N1 2.86602545 -3.809999940C2 2.86602545 -2.809999940C3 2.86602545 -1.809999940C4 3.7320509 -1.309999940C5 3.7320509 -0.3100000020C6 2.86602545 0.1899999980C72 -0.3100000020C82 -1.309999940N9 2.86602545 1.190000060 C10 3.7320509 1.690000060 C11 3.7320509 2.690000060 N12 2.86602545 3.190000060 C132 2.690000060 C142 1.690000060H15 4.2689867-1.620H16 4.26898673.53029805e-0090H17 1.463064193.53029828e-0090H18 1.46306419-1.620H19 3.94410348 1.107390640H20 4.34263182 1.79766190H21 4.34263182 2.582338090H22 3.94410348 3.272609470H23 2.86602545 3.809999940H24 1.78794754 3.272609470H25 1.3894192 2.582338090H26 1.3894192 1.79766190H27 1.78794754 1.10739064028                    0H00000000-0000-0000-0000-000000000000sHKuUj jfm@} ONƳE?B}1-(3-FLUOROPHENYL)PIPERAZINE, 1-(3-Fluorophenyl)-piperazine, 1-(3-Fluorophenyl)piperazine, 1-(3-fluorophenyl)piperazine, 1792, 3H32-3-39, AM-1941, AS74245, AX8033472, B33472, BBV-29350332, BL007993, U23883^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@fA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=912686Y*LH{,[[DD̍Wi C10H13FN2e1\@,W 3801-89-6ʹu4O}31?8OSA$db2054e5-d2e1-4e2d-81c2-fb0d37611af726 F12 -2.809999940C2 2.86602497 -2.309999940C3 3.7320509 -2.809999940C4 4.59807587 -2.309999940C5 4.59807587 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602497 -1.309999940N8 3.7320509 0.1899999980 C9 2.86602497 0.6899999980 C10 2.86602497 1.690000060 N11 3.7320509 2.190000060 C12 4.59807587 1.690000060 C13 4.59807587 0.6899999980H14 3.7320509 -3.430000070H15 5.13501215 -2.619999890H16 5.13501215 -0.9999998810H17 2.32909012 -0.9999998810H182.255445 0.7976617810H19 2.6539731 0.1073905970H20 2.65397312.2726090H212.255445 1.582337980H22 3.7320509 2.809999940H23 5.20865679 1.582337980H24 4.810129172.2726090H25 4.81012917 0.1073905970H26 5.20865679 0.797661781027                  002510987543210616131415121122232425171819202691089785745342312011656616213314415712111210111122112312241225817818919920V570G5ҊUIxvJ`iq!:BJS\912686뒣Am`$v'OB@{P̑LOYi&Fc1cccc(c1)N1CCNCC1OSA$db2054e5-d2e1-4e2d-81c2-fb0d37611af726 F12 -2.809999940C2 2.86602545 -2.309999940C3 3.7320509 -2.809999940C4 4.59807634 -2.309999940C5 4.59807634 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602545 -1.309999940N8 3.7320509 0.1899999980C9 2.86602545 0.6899999980 C10 2.86602545 1.690000060 N11 3.7320509 2.190000060 C12 4.59807634 1.690000060 C13 4.59807634 0.6899999980 H14 3.7320509 -3.429999830H15 5.13501215 -2.619999890H16 5.13501215 -0.999999940H17 2.32908964 -0.999999940H18 2.25544453 0.7976618410H19 2.65397286 0.1073905680H20 2.65397286 2.272609470H21 2.25544453 1.582338210H22 3.7320509 2.809999940H23 5.20865726 1.582338210H24 4.81012869 2.272609470H25 4.81012869 0.1073905680H26 5.20865726 0.797661841027                  0H00000000-0000-0000-0000-000000000000XyEv jfm@} ONƳE?B}1-(4-FLUOROPHENYL)PIPERAZINE, 1-(4-Fluoro-phenyl)-piperazine, 1-(4-Fluorophenyl)Piperazine, 1-(4-Fluorophenyl)piperazine, 1-(4-Fluorophenyl)piperazine Dihydrochloride, 1-(4-fluorophenyl)piperazine, N-(4-Fluorophenyl)piperazine, 1047717, 18454, 37455, 3H32-3-W2, 78838, A-17686, A14541, AGN-PC-0JLP8P, AJP04476, AM-1964, AX8000186, B0186, BB17-0792, BBL004577, BBS-00003614, BBV-34551386, BB_SC-04393, EN300-33937, F2190-0349, F595795, F595796, FE953, OSSL_150107, STK397535^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@fA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=486785Y*LH{,[[DD̍Wi C10H13FN2e1\@,W2252-63-3, 55752-58-4ʹu4O}32?8OSA$40d4560c-c7f3-40da-8243-055974e341bc26 F1 2.86602497 -3.309999940C2 2.86602497 -2.309999940C3 3.7320509 -1.809999940C4 3.7320509 -0.8100000020C5 2.86602497 -0.3100000020C62 -0.8100000020C72 -1.809999940N8 2.86602497 0.6899999980 C9 3.7320509 1.190000060 C10 3.7320509 2.190000060 N11 2.86602497 2.690000060 C122 2.190000060 C132 1.190000060H14 4.26898718 -2.119999890H15 4.26898718-0.50H16 1.46306396-0.50H17 1.46306396 -2.119999890H183.944103 0.6073905830H19 4.34263182 1.297662020H20 4.34263182 2.082338090H213.9441032.7726090H22 2.86602497 3.309999940H23 1.787948012.7726090H24 1.38941896 2.082338090H25 1.38941896 1.297662020H26 1.78794801 0.607390583027                  002510987432106515161314121122232425171819202691089784734231201165645515616213314712111210111122112312241225817818919920V570G5ҊUIxvJ`iq!:BJS\486785뒣Am`$v'OB@{P̑LOYi&Fc1ccc(cc1)N1CCNCC1OSA$40d4560c-c7f3-40da-8243-055974e341bc26 F1 2.86602545 -3.309999940C2 2.86602545 -2.309999940C3 3.7320509 -1.809999940C4 3.7320509 -0.8100000020C5 2.86602545 -0.3100000020C62 -0.8100000020C72 -1.809999940N8 2.86602545 0.6899999980C9 3.7320509 1.190000060 C10 3.7320509 2.190000060 N11 2.86602545 2.690000060 C122 2.190000060 C132 1.190000060 H14 4.2689867 -2.119999890H15 4.2689867-0.50H16 1.46306419-0.50H17 1.46306419 -2.119999890H18 3.94410348 0.6073906420H19 4.34263182 1.29766190H20 4.34263182 2.082338090H21 3.94410348 2.772609470H22 2.86602545 3.309999940H23 1.78794754 2.772609470H24 1.3894192 2.082338090H25 1.3894192 1.29766190H26 1.78794754 0.607390642027                  0H00000000-0000-0000-0000-000000000000;qlBAG̾https://www.emolecules.com/cgi-bin/find?id=522240)3˙FWd-Ͼ(U@9/|GaC V"@<׵C@gg@A@*̟ŗ MFCD00040793McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=522240Y*LH{,AOKBIO - INSTOCK[[DD̍Wi C11H13N3e1\@,W 111373-03-6ʹu4O}33?8<OSA$90383a8c-efe6-4002-86d7-7bdb38ca5b9d27N12 -0.3100000020C2 2.86602497 -0.8100000020C3 3.7320509 -1.309999940C4 3.7320509 -2.309999940C5 4.59807587 -2.809999940C6 5.46410179 -2.309999940C7 5.46410179 -1.309999940C8 4.59807587 -0.8100000020 N9 4.59807587 0.1899999980 C10 5.46410179 0.6899999980 C11 5.46410179 1.690000060 N12 4.59807587 2.190000060 C13 3.7320509 1.690000060C14 3.7320509 0.6899999980H15 3.19511509 -2.619999890H16 4.59807587 -3.430000070H17 6.00103807 -2.619999890H18 6.00103807 -0.9999998810H19 5.67615414 0.1073905970H20 6.07468319 0.7976617810H21 6.07468319 1.582337980H22 5.676154142.2726090H23 4.59807587 2.809999940H24 3.519998072.2726090H25 3.12146997 1.582337980H26 3.12146997 0.7976617810H27 3.51999807 0.107390597028                    00261110987654321014151617131223242526181920212710119108978675645342312012731441551661781312131112122312241325132691891910201021V570G5ҊUIgxvJ`iAC1138q!:BJS\522240뒣Am`$v nonpreferred'OB@{USDP̑LOYi&N#Cc1ccccc1N1CCNCC1OSA$90383a8c-efe6-4002-86d7-7bdb38ca5b9d27N12 -0.3100000020C2 2.86602545 -0.8100000020C3 3.7320509 -1.309999940C4 3.7320509 -2.309999940C5 4.59807634 -2.809999940C6 5.46410179 -2.309999940C7 5.46410179 -1.309999940C8 4.59807634 -0.8100000020N9 4.59807634 0.1899999980 C10 5.46410179 0.6899999980 C11 5.46410179 1.690000060 N12 4.59807634 2.190000060 C13 3.7320509 1.690000060 C14 3.7320509 0.6899999980H15 3.19511509 -2.619999890H16 4.59807634 -3.429999830H17 6.0010376 -2.619999890H18 6.0010376 -0.999999940H19 5.67615414 0.1073905680H20 6.07468271 0.7976618410H21 6.07468271 1.582338210H22 5.67615414 2.272609470H23 4.59807634 2.809999940H24 3.51999831 2.272609470H25 3.12146997 1.582338210H26 3.12146997 0.7976618410H27 3.51999831 0.107390568028                    0H00000000-0000-0000-0000-000000000000X|TEiju jfm@} O1365NƳE?B};2,3-Dihydro-1,4-ethanoquinoxaline-5-carbaldehyde, AK436781^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=81813671)3˙FWd-Ͼ(U/|GaC V"<׵C@g;`A@*̟ŗ MFCD18806291McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=81813671Y*LH{,Ark Pharm - POA[[DD̍Wi C11H12N2Oe1\@,W 138023-46-8ʹu4O}8V570G5ҊUIxvJ`i AK436781q!:BJS\ 81813671뒣Am`$v preferred'OB@{P̑LOYi*O=Cc1cccc2c1N1CCN2CC1OSA$be57e866-fc8c-4318-afed-2ab3c376514526O1 3.10240531 -2.711925030C2 3.73629189 -1.938498970C3 3.38342881 -1.002824070C4 2.35625863 -0.8298600320C52 0.1489528120C6 2.67567873 0.9417030810C7 3.6985743 0.7450320120C8 4.04059458 -0.1946606340N9 5.41329956 0.397359520 C10 4.43550444 2.211925030 C11 5.30152988 2.711925030 N12 5.67211866 1.36328530 C13 7.07105732 0.8544663190 C14 6.81223822 -0.1114595310H15 4.34807682 -2.039093260H16 1.95956397 -1.306340220H17 1.3898387 0.25896740H18 2.47037721 1.526725530H19 4.13077211 2.751867770H20 3.89260626 1.912489530H21 5.88323355 2.92644930H22 5.03831434 3.273278240H23 7.6650238 0.6766924260H24 7.2659874 1.443025710H25 6.61730766 -0.7000189420H26 7.4062047 -0.289233446028                    0H00000000-0000-0000-0000-000000000000<A djcY jfm@} O146NƳE?B}1-(3-Cyanophenyl)piperazine, 3-(1-Piperazinyl)benzonitrile, 3-(PIPERAZIN-1-YL)BENZONITRILE, 3-(Piperazin-1-yl)benzonitrile, 3-(piperazin-1-yl)benzonitrile, A-10606, AB4046, AS22617, AX8115853, B115853, BB95-2545, BBV-33131892, CC00-5290, FS-2101, K-5481, ST-6642, SY007187^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=11649368)3˙FWd-Ͼ(U?/|GaC V"@f`<׵C@gg@A@*̟ŗ MFCD06796181McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=11649368Y*LH{,Activate Scientific[[DD̍Wi C11H13N3e1\@,W 178928-58-0ʹu4O}34?89OSA$888f9d0c-fc1f-4e64-bf78-e52b082a768927N12 -3.059999940C2 2.86602497 -2.559999940C3 3.7320509 -2.059999940C4 4.59807587 -2.559999940C5 5.46410179 -2.059999940C6 5.46410179 -1.059999940C7 4.59807587 -0.5600000020C8 3.7320509 -1.059999940 N9 4.59807587 0.4399999980 C10 5.46410179 0.9399999980 C11 5.46410179 1.940000060 N12 4.59807587 2.440000060 C13 3.7320509 1.940000060C14 3.7320509 0.9399999980H15 4.59807587 -3.180000070H16 6.00103807 -2.369999890H17 6.00103807 -0.7499998810H18 3.19511509 -0.7499998810H19 5.67615414 0.3573906120H20 6.07468319 1.047662020H21 6.07468319 1.832337980H22 5.676154142.5226090H23 4.59807587 3.059999940H24 3.519998072.5226090H25 3.12146997 1.832337980H26 3.12146997 1.047662020H27 3.51999807 0.357390612028                    00261110986543210717141516131223242526181920212710119108968564534231201276771731441551681312131112122312241325132691891910201021V570G5ҊUIgxvJ`iAS22617q!:BJS\ 11649368뒣Am`$v standard'OB@{USDP̑LOYi*N#Cc1cccc(c1)N1CCNCC1 OSA$888f9d0c-fc1f-4e64-bf78-e52b082a768927N12 -3.059999940C2 2.86602545 -2.559999940C3 3.7320509 -2.059999940C4 4.59807634 -2.559999940C5 5.46410179 -2.059999940C6 5.46410179 -1.059999940C7 4.59807634 -0.5600000020C8 3.7320509 -1.059999940N9 4.59807634 0.4399999980 C10 5.46410179 0.9399999980 C11 5.46410179 1.940000060 N12 4.59807634 2.440000060 C13 3.7320509 1.940000060 C14 3.7320509 0.9399999980H15 4.59807634 -3.179999830H16 6.0010376 -2.369999890H17 6.0010376 -0.749999940H18 3.19511509 -0.749999940H19 5.67615414 0.3573905830H20 6.07468271 1.04766190H21 6.07468271 1.832338210H22 5.67615414 2.522609470H23 4.59807634 3.059999940H24 3.51999831 2.522609470H25 3.12146997 1.832338210H26 3.12146997 1.04766190H27 3.51999831 0.357390583028                    0H00000000-0000-0000-0000-000000000000֝z(Iv[*m jfm@} O7NƳE?B}j2-METHYL-1-(3-METHYLPHENYL)PIPERAZINE, 2-METHYL-1-M-TOLYLPIPERAZINE, 2-Methyl-1-(3-methylphenyl)piperazine, 2-Methyl-1-m-tolyl-piperazine, 2-methyl-1-(3-methylphenyl)piperazine, 2-methyl-1-(m-tolyl)piperazine, 80114, AC030200, AH14409, ALBB-021298, BB01-6025, BBL028005, BBS-00003585, BB_SC-06924, EN300-17643, LF-0562, M80318, OSSL_207659, R090-0010, STK450651^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=711786)3˙FWd-Ͼ(U?/|GaC V"@^<׵C@gA@*̟ŗ MFCD00044835McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=711786Y*LH{,ChemDiv[[DD̍Wi C12H18N2e1\@,W 35947-10-5ʹu4O}35?8~OSA$728727db-d52f-48fb-96f1-1b372c3d2f2032C12 -2.809999940C2 2.86602497 -2.309999940C3 3.7320509 -2.809999940C4 4.59807587 -2.309999940C5 4.59807587 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602497 -1.309999940N8 3.7320509 0.1899999980 C9 4.59807587 0.6899999980 C10 4.59807587 1.690000060 N11 3.7320509 2.190000060 C12 2.86602497 1.690000060 C13 2.86602497 0.6899999980C142 0.1899999980H15 1.69000006 -2.27306390H16 1.46306396 -3.119999890H17 2.30999994 -3.346935990H18 3.7320509 -3.430000070H19 5.13501215 -2.619999890H20 5.13501215 -0.9999998810H21 2.32909012 -0.9999998810H22 4.81012917 0.1073905970H23 5.20865679 0.7976617810H24 5.20865679 1.582337980H25 4.810129172.2726090H26 3.7320509 2.809999940H27 2.65397312.2726090H282.255445 1.582337980H29 2.86602497 0.07000000030H30 1.69000006 0.7269356850H31 1.46306396 -0.1199999970 H32 2.30999994 -0.346935689033                    !003110987543210141516620171819121126271329303128212223243291089785745342312010140150161656620217318419712111210111126112712131329133013311228821822923924V570G5ҊUImgxvJ`i R090-0010q!:BJS\711786뒣Am`$v preferred'OB@{USDP̑LOYi(Cc1cccc(c1)N1CCNCC1C!OSA$728727db-d52f-48fb-96f1-1b372c3d2f2032C12 -2.809999940C2 2.86602545 -2.309999940C3 3.7320509 -2.809999940C4 4.59807634 -2.309999940C5 4.59807634 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602545 -1.309999940N8 3.7320509 0.1899999980C9 4.59807634 0.6899999980 C10 4.59807634 1.690000060 N11 3.7320509 2.190000060 C12 2.86602545 1.690000060 C13 2.86602545 0.6899999980 C142 0.1899999980H15 1.69000006 -2.273064140H16 1.46306419 -3.119999890H17 2.30999994 -3.346935750H18 3.7320509 -3.429999830H19 5.13501215 -2.619999890H20 5.13501215 -0.999999940H21 2.32908964 -0.999999940H22 4.81012869 0.1073905680H23 5.20865726 0.7976618410H24 5.20865726 1.582338210H25 4.81012869 2.272609470H26 3.7320509 2.809999940H27 2.65397286 2.272609470H28 2.25544453 1.582338210H29 2.86602545 0.07000000030H30 1.69000006 0.7269357440H31 1.46306419 -0.119999990H32 2.30999994 -0.346935749033                     0H00000000-0000-0000-0000-000000000000WnhCϢX' jfm@} O1391NƳE?B}53-methyl-1-(2-methylphenyl)piperazine, IMED995089081^GP~ܛr@!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=2793807)3˙FWd-Ͼ(U?/|GaC V"@<׵C@gA@*̟ŗ MFCD06804052McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=2793807Y*LH{,Intermed - BB[[DD̍Wi C12H18N2e1\@,Wʹu4O}36?8tOSA$809d7c82-9853-48a7-a722-398992e6902632C12 2.190000060C2 2.86602497 1.690000060N3 3.7320509 2.190000060C4 4.59807587 1.690000060C5 4.59807587 0.6899999980N6 3.7320509 0.1899999980C7 2.86602497 0.6899999980C8 3.7320509 -0.8100000020 C9 4.59807587 -1.309999940 C10 4.59807587 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602497 -2.309999940 C13 2.86602497 -1.309999940C142 -0.8100000020H15 2.30999994 2.72693610H16 1.463063962.50H17 1.69000006 1.653064010H18 2.86602497 2.309999940H19 3.7320509 2.809999940H20 5.20865679 1.582337980H21 4.810129172.2726090H22 4.81012917 0.1073905970H23 5.20865679 0.7976617810H242.255445 0.7976617810H25 2.6539731 0.1073905970H26 5.13501215 -0.9999998810H27 5.13501215 -2.619999890H28 3.7320509 -3.430000070H29 2.32909012 -2.619999890H30 2.30999994 -0.2730641960H31 1.46306396 -0.5000001190 H32 1.69000006 -1.34693599033                 !00312101415166543192021227891011121329303128272625232417321201014015016165645342331932042142257788991010111112712121313291330133111281027926825623624117V570G5ҊUIgxvJ`iIMED995089081q!:BJS\2793807뒣Am`$v nonpreferred'OB@{USDP̑LOYi(CC1NCCN(C1)c1ccccc1COSA$809d7c82-9853-48a7-a722-398992e6902632C12 2.190000060C2 2.86602545 1.690000060N3 3.7320509 2.190000060C4 4.59807634 1.690000060C5 4.59807634 0.6899999980N6 3.7320509 0.1899999980C7 2.86602545 0.6899999980C8 3.7320509 -0.8100000020C9 4.59807634 -1.309999940 C10 4.59807634 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602545 -2.309999940 C13 2.86602545 -1.309999940 C142 -0.8100000020H15 2.30999994 2.726935860H16 1.463064192.50H17 1.69000006 1.653064250H18 2.86602545 2.309999940H19 3.7320509 2.809999940H20 5.20865726 1.582338210H21 4.81012869 2.272609470H22 4.81012869 0.1073905680H23 5.20865726 0.7976618410H24 2.25544453 0.7976618410H25 2.65397286 0.1073905680H26 5.13501215 -0.999999940H27 5.13501215 -2.619999890H28 3.7320509 -3.429999830H29 2.32908964 -2.619999890H30 2.30999994 -0.2730642260H31 1.46306419 -0.500000060H32 1.69000006 -1.34693575033                  0H00000000-0000-0000-0000-0000000000009hNYOⓟ jfm@} ONƳE?B}1-(2,4-Dimethylphenyl)Piperazine, 1-(2,4-Dimethylphenyl)piperazine, 1-(2,4-dimethylphenyl)piperazine, 13694, 393593, A-17130, AGN-PC-0JL9RL, BBL027887, BB_SC-04848, D4136, EN300-300249, FD40318, JK393593, M-2401, OR-0934, STK802251^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@gA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=711718Y*LH{,[[DD̍Wi C12H18N2e1\@,W 1013-76-9ʹu4O}37?8|OSA$d767e2da-cd04-42e4-ac79-4b74a5daf64d32C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807587 -1.809999940C4 4.59807587 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602497 -0.8100000020C7 2.86602497 -1.809999940C82 -0.3100000020 N9 3.7320509 0.6899999980 C10 4.59807587 1.190000060 C11 4.59807587 2.190000060 N12 3.7320509 2.690000060 C13 2.86602497 2.190000060C14 2.86602497 1.190000060H15 3.11205101 -3.309999940H16 3.7320509 -3.930000070H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32909012 -2.119999890H21 2.30999994 0.2269358040H22 1.46306396-1.42131498e-080H23 1.69000006 -0.8469356890H24 4.81012917 0.6073905830H25 5.20865679 1.297662020H26 5.20865679 2.082338090H27 4.810129172.7726090H28 3.7320509 3.309999940H29 2.65397312.7726090H302.255445 2.082338090H312.255445 1.297662020 H32 2.6539731 0.607390583033                    !003111109843210141516657202122191718131228293031232425263210119108948342312010140150161656455772072172261921731881312131112122812291330133192392410251026V570G5ҊUIxvJ`iq!:BJS\711718뒣Am`$v'OB@{P̑LOYi,Cc1ccc(c(c1)C)N1CCNCC1#OSA$d767e2da-cd04-42e4-ac79-4b74a5daf64d32C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807634 -1.809999940C4 4.59807634 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602545 -0.8100000020C7 2.86602545 -1.809999940C82 -0.3100000020N9 3.7320509 0.6899999980 C10 4.59807634 1.190000060 C11 4.59807634 2.190000060 N12 3.7320509 2.690000060 C13 2.86602545 2.190000060 C14 2.86602545 1.190000060H15 3.11205101 -3.309999940H16 3.7320509 -3.929999830H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32908964 -2.119999890H21 2.30999994 0.2269357590H22 1.46306419-1.42131542e-0080H23 1.69000006 -0.8469357490H24 4.81012869 0.6073906420H25 5.20865726 1.29766190H26 5.20865726 2.082338090H27 4.81012869 2.772609470H28 3.7320509 3.309999940H29 2.65397286 2.772609470H30 2.25544453 2.082338090H31 2.25544453 1.29766190H32 2.65397286 0.607390642033                     0H00000000-0000-0000-0000-000000000000v%$JP^\( jfm@} O564NƳE?B}]2-Methyl-1-Para-Tolylpiperazine, 2-methyl-1-(4-methylphenyl)piperazine, 500001205, FCH832186^GP~ܛr?!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=1053777)3˙FWd-Ͼ(U?/|GaC V"@c<׵C@gA@*̟ŗ MFCD00066900McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=1053777Y*LH{,Frontier Scientific Services[[DD̍Wi C12H18N2e1\@,W 35947-11-6ʹu4O}38?8rOSA$baf95c82-ca03-4129-a1ef-ae47117dbf1732C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807587 -1.809999940C4 4.59807587 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602497 -0.8100000020C7 2.86602497 -1.809999940N8 3.7320509 0.6899999980 C9 4.59807587 1.190000060 C10 4.59807587 2.190000060 N11 3.7320509 2.690000060 C12 2.86602497 2.190000060 C13 2.86602497 1.190000060C142 0.6899999980H15 3.11205101 -3.309999940H16 3.7320509 -3.930000070H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32909012-0.50H21 2.32909012 -2.119999890H22 4.81012917 0.6073905830H23 5.20865679 1.297662020H24 5.20865679 2.082338090H25 4.810129172.7726090H26 3.7320509 3.309999940H27 2.65397312.7726090H282.255445 2.082338090H29 2.86602497 0.5700001120H30 1.69000006 1.226935980H31 1.46306396 0.3799999950 H32 2.30999994 0.153064296033                    !003110987432101415166519201718121126271329303128212223243291089784734231201014015016165645519620217318712111210111126112712131329133013311228821822923924V570G5ҊUIgxvJ`i 500001205q!:BJS\1053777뒣Am`$v nonpreferred'OB@{USDP̑LOYi(Cc1ccc(cc1)N1CCNCC1COSA$baf95c82-ca03-4129-a1ef-ae47117dbf1732C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807634 -1.809999940C4 4.59807634 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602545 -0.8100000020C7 2.86602545 -1.809999940N8 3.7320509 0.6899999980C9 4.59807634 1.190000060 C10 4.59807634 2.190000060 N11 3.7320509 2.690000060 C12 2.86602545 2.190000060 C13 2.86602545 1.190000060 C142 0.6899999980H15 3.11205101 -3.309999940H16 3.7320509 -3.929999830H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32908964-0.50H21 2.32908964 -2.119999890H22 4.81012869 0.6073906420H23 5.20865726 1.29766190H24 5.20865726 2.082338090H25 4.81012869 2.772609470H26 3.7320509 3.309999940H27 2.65397286 2.772609470H28 2.25544453 2.082338090H29 2.86602545 0.5700000520H30 1.68999994 1.226935740H31 1.46306431 0.3799999950H32 2.30999994 0.153064251033                     0H00000000-0000-0000-0000-000000000000KlN-Ip$RZ5 jfm@} ONƳE?B}1-(3,5-DIMETHYLPHENYL)-PIPERAZINE, 1-(3,5-Dimethylphenyl)piperazine, 1-(3,5-dimethylphenyl)piperazine, 1-(35-Dimethylphenyl)piperazine, 20627, 60440, A-2352, AX8000913, B0913, FCH4689022, FS-1576, OR-9761^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@gA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=933247Y*LH{,[[DD̍Wi C12H18N2e1\@,W 105907-65-1ʹu4O}39?8OSA$555370d6-e64e-4a4c-988a-d40ec1a82ba932C1 5.46410179 -2.809999940C2 4.59807587 -2.309999940C3 4.59807587 -1.309999940C4 3.7320509 -0.8100000020C5 2.86602497 -1.309999940C6 2.86602497 -2.309999940C7 3.7320509 -2.809999940C82 -2.809999940 N9 3.7320509 0.1899999980 C10 4.59807587 0.6899999980 C11 4.59807587 1.690000060 N12 3.7320509 2.190000060 C13 2.86602497 1.690000060C14 2.86602497 0.6899999980H15 5.15410185 -3.346935990H16 6.00103807 -3.119999890H17 5.77410221 -2.27306390H18 5.13501215 -0.9999998810H19 2.32909012 -0.9999998810H20 3.7320509 -3.430000070H21 1.69000006 -2.27306390H22 1.46306396 -3.119999890H23 2.30999994 -3.346935990H24 4.81012917 0.1073905970H25 5.20865679 0.7976617810H26 5.20865679 1.582337980H27 4.810129172.2726090H28 3.7320509 2.809999940H29 2.65397312.2726090H302.255445 1.582337980H312.255445 0.7976617810 H32 2.6539731 0.107390597033                    !003111109832101415166541872021221917131228293031232425263210119108938231201014015016165645344185772072172261921781312131112122812291330133192392410251026V570G5ҊUIxvJ`iq!:BJS\933247뒣Am`$v'OB@{P̑LOYi,Cc1cc(cc(c1)C)N1CCNCC1'OSA$555370d6-e64e-4a4c-988a-d40ec1a82ba932C1 5.46410179 -2.809999940C2 4.59807634 -2.309999940C3 4.59807634 -1.309999940C4 3.7320509 -0.8100000020C5 2.86602545 -1.309999940C6 2.86602545 -2.309999940C7 3.7320509 -2.809999940C82 -2.809999940N9 3.7320509 0.1899999980 C10 4.59807634 0.6899999980 C11 4.59807634 1.690000060 N12 3.7320509 2.190000060 C13 2.86602545 1.690000060 C14 2.86602545 0.6899999980H15 5.15410185 -3.346935750H16 6.0010376 -3.119999890H17 5.77410173 -2.273064140H18 5.13501215 -0.999999940H19 2.32908964 -0.999999940H20 3.7320509 -3.429999830H21 1.69000006 -2.273064140H22 1.46306419 -3.119999890H23 2.30999994 -3.346935750H24 4.81012869 0.1073905680H25 5.20865726 0.7976618410H26 5.20865726 1.582338210H27 4.81012869 2.272609470H28 3.7320509 2.809999940H29 2.65397286 2.272609470H30 2.25544453 1.582338210H31 2.25544453 0.7976618410H32 2.65397286 0.107390568033                     0H00000000-0000-0000-0000-000000000000|hJh׏PNo jfm@} O1341NƳE?B}>3-methyl-1-(4-methylphenyl)piperazine, 4089664, IMED995089059^GP~ܛr@!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=2793811)3˙FWd-Ͼ(U?/|GaC V"@M<׵C@gA@*̟ŗ MFCD06804054McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=2793811Y*LH{,ChemBridge - BB[[DD̍Wi C12H18N2e1\@,W 180622-24-6ʹu4O}40?8fOSA$bc6b2b20-f239-4586-968b-bb5de0ad9d5132C12 2.690000060C2 2.86602497 2.190000060N3 3.7320509 2.690000060C4 4.59807587 2.190000060C5 4.59807587 1.190000060N6 3.7320509 0.6899999980C7 2.86602497 1.190000060C8 3.7320509 -0.3100000020 C9 2.86602497 -0.8100000020 C10 2.86602497 -1.809999940 C11 3.7320509 -2.309999940 C12 4.59807587 -1.809999940 C13 4.59807587 -0.8100000020C14 3.7320509 -3.309999940H15 2.30999994 3.22693610H16 1.4630639630H17 1.69000006 2.153064010H18 2.86602497 2.809999940H19 3.7320509 3.309999940H20 5.20865679 2.082338090H21 4.810129172.7726090H22 4.81012917 0.6073905830H23 5.20865679 1.297662020H242.255445 1.297662020H25 2.6539731 0.6073905830H26 2.32909012-0.50H27 2.32909012 -2.119999890H28 5.13501215 -2.119999890H29 5.13501215-0.50H30 3.11205101 -3.309999940H31 3.7320509 -3.930000070 H32 4.35205078 -3.30999994033                 !00312101415166543192021227891011122827132930312625232417321201014015016165645342331932042142257788991010111112712122811271013132913301331926825623624117V570G5ҊUIgxvJ`i4089664q!:BJS\2793811뒣Am`$v preferred'OB@{USDP̑LOYi,CC1NCCN(C1)c1ccc(cc1)C OSA$bc6b2b20-f239-4586-968b-bb5de0ad9d5132C12 2.690000060C2 2.86602545 2.190000060N3 3.7320509 2.690000060C4 4.59807634 2.190000060C5 4.59807634 1.190000060N6 3.7320509 0.6899999980C7 2.86602545 1.190000060C8 3.7320509 -0.3100000020C9 2.86602545 -0.8100000020 C10 2.86602545 -1.809999940 C11 3.7320509 -2.309999940 C12 4.59807634 -1.809999940 C13 4.59807634 -0.8100000020 C14 3.7320509 -3.309999940H15 2.30999994 3.226935860H16 1.4630641930H17 1.69000006 2.153064250H18 2.86602545 2.809999940H19 3.7320509 3.309999940H20 5.20865726 2.082338090H21 4.81012869 2.772609470H22 4.81012869 0.6073906420H23 5.20865726 1.29766190H24 2.25544453 1.29766190H25 2.65397286 0.6073906420H26 2.32908964-0.50H27 2.32908964 -2.119999890H28 5.13501215 -2.119999890H29 5.13501215-0.50H30 3.11205101 -3.309999940H31 3.7320509 -3.929999830H32 4.35205078 -3.30999994033                  0H00000000-0000-0000-0000-000000000000ϯLIX jfm@} ONƳE?B}"1-(2,3-Dimethylphenyl)piperazine", 1-(2,3-DIMETHYLPHENYL)PIPERAZINE, 1-(2,3-Dimethyl-phenyl)-piperazine, 1-(2,3-Dimethylphenyl)-piperazine, 1-(2,3-Dimethylphenyl)Piperazine, 1-(2,3-Dimethylphenyl)piperazine, 1-(2,3-dimethylphenyl)piperazine, Piperazine,1-(2,3-dimethylphenyl)-, 13693, 1562, 359037, 3H31-1-29, 4048-4076, 500025079, 85693, A10193, AGN-PC-0JL9RJ, AS74636, AX8000908, B0908, BBL013141, BBS-00003579, BBV-00012662, BB_SC-10969, EN300-34000, FS-1229, H50687, JK359037, OR-2869, OSSL_182223, STT-00161354, U20270, XS03866^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@gA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=711716Y*LH{,[[DD̍Wi C12H18N2e1\@,W1013-22-5, 80836-96-0ʹu4O}41?8zOSA$beb1c72d-d09c-4247-b4f4-1bdd2632899e32C12 -0.8100000020C2 2.86602497 -1.309999940C3 2.86602497 -2.309999940C42 -2.809999940C5 3.7320509 -2.809999940C6 4.59807587 -2.309999940C7 4.59807587 -1.309999940C8 3.7320509 -0.8100000020 N9 3.7320509 0.1899999980 C10 4.59807587 0.6899999980 C11 4.59807587 1.690000060 N12 3.7320509 2.190000060 C13 2.86602497 1.690000060C14 2.86602497 0.6899999980H15 2.30999994 -0.2730641960H16 1.46306396 -0.5000001190H17 1.69000006 -1.346935990H18 1.69000006 -2.27306390H19 1.46306396 -3.119999890H20 2.30999994 -3.346935990H21 3.7320509 -3.430000070H22 5.13501215 -2.619999890H23 5.13501215 -0.9999998810H24 4.81012917 0.1073905970H25 5.20865679 0.7976617810H26 5.20865679 1.582337980H27 4.810129172.2726090H28 3.7320509 2.809999940H29 2.65397312.2726090H302.255445 1.582337980H312.255445 0.7976617810 H32 2.6539731 0.107390597033                    !003111109876542101415163171819202122131228293031232425263210119108978675645241201014015016172331731831942052162281312131112122812291330133192392410251026V570G5ҊUIxvJ`iq!:BJS\711716뒣Am`$v'OB@{P̑LOYi(Cc1c(C)cccc1N1CCNCC1!OSA$beb1c72d-d09c-4247-b4f4-1bdd2632899e32C12 -0.8100000020C2 2.86602545 -1.309999940C3 2.86602545 -2.309999940C42 -2.809999940C5 3.7320509 -2.809999940C6 4.59807634 -2.309999940C7 4.59807634 -1.309999940C8 3.7320509 -0.8100000020N9 3.7320509 0.1899999980 C10 4.59807634 0.6899999980 C11 4.59807634 1.690000060 N12 3.7320509 2.190000060 C13 2.86602545 1.690000060 C14 2.86602545 0.6899999980H15 2.30999994 -0.2730642260H16 1.46306419 -0.500000060H17 1.69000006 -1.346935750H18 1.69000006 -2.273064140H19 1.46306419 -3.119999890H20 2.30999994 -3.346935750H21 3.7320509 -3.429999830H22 5.13501215 -2.619999890H23 5.13501215 -0.999999940H24 4.81012869 0.1073905680H25 5.20865726 0.7976618410H26 5.20865726 1.582338210H27 4.81012869 2.272609470H28 3.7320509 2.809999940H29 2.65397286 2.272609470H30 2.25544453 1.582338210H31 2.25544453 0.7976618410H32 2.65397286 0.107390568033                     0H00000000-0000-0000-0000-000000000000VP_IQ( jfm@} ONƳE?B}&1-(2,5-Dimethyl-phenyl)-piperazine, 1-(2,5-Dimethylphenyl)Piperazine, 1-(2,5-Dimethylphenyl)piperazine, 1-(2,5-dimethylphenyl)piperazine, 13695, 140001, 3H31-1-24, 500034041, AK-968/40173393, BB01-7668, BBS-00003598, EN300-110636, F1939-1103, FF01-7668, L05744, LF-0550, OSSL_184055, STK421185^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@gA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=631862Y*LH{,[[DD̍Wi C12H18N2e1\@,W 1013-25-8ʹu4O}42?8OSA$ef67e0d5-6ee4-40a8-8167-18f9a6642fa332C12 -0.8100000020C2 2.86602497 -1.309999940C3 2.86602497 -2.309999940C4 3.7320509 -2.809999940C5 4.59807587 -2.309999940C6 4.59807587 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980 C9 4.59807587 0.6899999980 C10 4.59807587 1.690000060 N11 3.7320509 2.190000060 C12 2.86602497 1.690000060 C13 2.86602497 0.6899999980C14 5.46410179 -2.809999940H15 2.30999994 -0.2730641960H16 1.46306396 -0.5000001190H17 1.69000006 -1.346935990H18 2.32909012 -2.619999890H19 3.7320509 -3.430000070H20 5.13501215 -0.9999998810H21 4.81012917 0.1073905970H22 5.20865679 0.7976617810H23 5.20865679 1.582337980H24 4.810129172.2726090H25 3.7320509 2.809999940H26 2.65397312.2726090H272.255445 1.582337980H282.255445 0.7976617810H29 2.6539731 0.1073905970H30 5.15410185 -3.346935990H31 6.00103807 -3.119999890 H32 5.77410221 -2.2730639033                     !003110987654321014151617181329303119121125262728202122233291089786756453423120101401501616217318413132913301331519712111210111125112612271228820821922923V570G5ҊUIxvJ`iq!:BJS\631862뒣Am`$v'OB@{P̑LOYi(Cc1ccc(cc1N1CCNCC1)C)OSA$ef67e0d5-6ee4-40a8-8167-18f9a6642fa332C12 -0.8100000020C2 2.86602545 -1.309999940C3 2.86602545 -2.309999940C4 3.7320509 -2.809999940C5 4.59807634 -2.309999940C6 4.59807634 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980C9 4.59807634 0.6899999980 C10 4.59807634 1.690000060 N11 3.7320509 2.190000060 C12 2.86602545 1.690000060 C13 2.86602545 0.6899999980 C14 5.46410179 -2.809999940H15 2.30999994 -0.2730642260H16 1.46306419 -0.500000060H17 1.69000006 -1.346935750H18 2.32908964 -2.619999890H19 3.7320509 -3.429999830H20 5.13501215 -0.999999940H21 4.81012869 0.1073905680H22 5.20865726 0.7976618410H23 5.20865726 1.582338210H24 4.81012869 2.272609470H25 3.7320509 2.809999940H26 2.65397286 2.272609470H27 2.25544453 1.582338210H28 2.25544453 0.7976618410H29 2.65397286 0.1073905680H30 5.15410185 -3.346935750H31 6.0010376 -3.119999890H32 5.77410173 -2.27306414033                      0H00000000-0000-0000-0000-000000000000tA*K} jfm@} O1327NƳE?B}W2,6-Dimethyl-1-phenyl-piperazine, 2,6-dimethyl-1-phenylpiperazine, 1047826, PBMR101506^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=35999762)3˙FWd-Ͼ(U@Y/|GaC V"@o<׵C@gA@*̟ŗ MFCD09894183McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=35999762Y*LH{, Otava BB[[DD̍Wi C12H18N2e1\@,Wʹu4O}43?8OSA$04c63761-ca89-493b-85c5-1bc3f07aa47132C12 0.1899999980C2 2.86602497 0.6899999980C3 2.86602497 1.690000060N4 3.7320509 2.190000060C5 4.59807587 1.690000060C6 4.59807587 0.6899999980N7 3.7320509 0.1899999980C8 3.7320509 -0.8100000020 C9 2.86602497 -1.309999940 C10 2.86602497 -2.309999940 C11 3.7320509 -2.809999940 C12 4.59807587 -2.309999940 C13 4.59807587 -1.309999940C14 5.46410179 0.1899999980H15 1.69000006 0.7269356850H16 1.46306396 -0.1199999970H17 2.30999994 -0.3469356890H18 2.86602497 0.07000000030H19 2.65397312.2726090H202.255445 1.582337980H21 3.7320509 2.809999940H22 5.20865679 1.582337980H23 4.810129172.2726090H24 4.59807587 0.07000000030H25 2.32909012 -0.9999998810H26 2.32909012 -2.619999890H27 3.7320509 -3.430000070H28 5.13501215 -2.619999890H29 5.13501215 -0.9999998810H30 5.15410185 -0.3469356890H31 6.00103807 -0.1199999970 H32 5.77410221 0.726935685033                  !00313210141516654212213293031237891011122827262524171819322312010140150161656453442142251313291330133152367788991010111112712122811271026925824117218219V570G5ҊUImgxvJ`i1047826q!:BJS\ 35999762뒣Am`$v nonpreferred'OB@{USDP̑LOYi(CC1CNCC(N1c1ccccc1)C+OSA$04c63761-ca89-493b-85c5-1bc3f07aa47132C12 0.1899999980C2 2.86602545 0.6899999980C3 2.86602545 1.690000060N4 3.7320509 2.190000060C5 4.59807634 1.690000060C6 4.59807634 0.6899999980N7 3.7320509 0.1899999980C8 3.7320509 -0.8100000020C9 2.86602545 -1.309999940 C10 2.86602545 -2.309999940 C11 3.7320509 -2.809999940 C12 4.59807634 -2.309999940 C13 4.59807634 -1.309999940 C14 5.46410179 0.1899999980H15 1.69000006 0.7269357440H16 1.46306419 -0.119999990H17 2.30999994 -0.3469357490H18 2.86602545 0.07000000030H19 2.65397286 2.272609470H20 2.25544453 1.582338210H21 3.7320509 2.809999940H22 5.20865726 1.582338210H23 4.81012869 2.272609470H24 4.59807634 0.07000000030H25 2.32908964 -0.999999940H26 2.32908964 -2.619999890H27 3.7320509 -3.429999830H28 5.13501215 -2.619999890H29 5.13501215 -0.999999940H30 5.15410185 -0.3469357490H31 6.0010376 -0.119999990H32 5.77410173 0.726935744033                   0H00000000-0000-0000-0000-000000000000%q>Bi> jfm@} ONƳE?B}1-ETHYL-4-PHENYLPIPERAZINE, 1-Ethyl-4-phenylpiperazine, 1-ethyl-4-phenylpiperazine, AX8058276, B58276, IMED57851973, JPM2-00-7633, NRB01140^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@gA@*̟ŗMcK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=7408026Y*LH{,[[DD̍Wi C12H18N2e1\@,W 57498-25-6ʹu4O}8V570G5ҊUIxvJ`iq!:BJS\7408026뒣Am`$v'OB@{P̑LOYi(CCN1CCN(CC1)c1ccccc1OSA$0bb9b9d7-df00-488e-83d3-5b45bd5359c832C123.250C2 2.866025452.750N3 2.866025451.750C4 3.73205091.250C5 3.73205090.250N6 2.86602545-0.250C720.250C821.250C9 2.86602545-1.250 C102-1.750 C112-2.750 C12 2.86602545-3.250 C13 3.7320509-2.750 C14 3.7320509-1.750H15 2.30999994 3.786935810H16 1.46306419 3.559999940H17 1.69000006 2.713064190H18 3.47660637 2.642338040H19 3.07807803 3.332609420H20 4.34263182 1.142338160H21 3.94410348 1.832609420H22 3.94410348 -0.3326094150H23 4.34263182 0.3576618730H24 1.3894192 0.3576618730H25 1.78794754 -0.3326094150H26 1.78794754 1.832609420H27 1.3894192 1.142338160H28 1.46306419 -1.439999940H29 1.46306419 -3.059999940H30 2.86602545 -3.869999890H31 4.2689867 -3.059999940H32 4.2689867 -1.43999994033                 0H00000000-0000-0000-0000-000000000000RL#Hi0r jfm@} ONƳE?B}21-(5-fluoro-2-methylphenyl)piperazine, FCH4689023^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@hGA@*̟ŗMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=35841002Y*LH{,[[DD̍Wi C11H15FN2e1\@,W 511230-95-8ʹu4O}44?8OSA$d64e8f19-16ad-4bb6-8e05-935b53bb5e1229C12 -0.8100000020C2 2.86602497 -1.309999940C3 2.86602497 -2.309999940C4 3.7320509 -2.809999940C5 4.59807587 -2.309999940C6 4.59807587 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980 C9 4.59807587 0.6899999980 C10 4.59807587 1.690000060 N11 3.7320509 2.190000060 C12 2.86602497 1.690000060 C13 2.86602497 0.6899999980 F14 5.46410179 -2.809999940H15 2.30999994 -0.2730641960H16 1.46306396 -0.5000001190H17 1.69000006 -1.346935990H18 2.32909012 -2.619999890H19 3.7320509 -3.430000070H20 5.13501215 -0.9999998810H21 4.81012917 0.1073905970H22 5.20865679 0.7976617810H23 5.20865679 1.582337980H24 4.810129172.2726090H25 3.7320509 2.809999940H26 2.65397312.2726090H272.255445 1.582337980H282.255445 0.7976617810H29 2.6539731 0.107390597030                  002810987654321014151617181319121125262728202122232991089786756453423120101401501616217318413519712111210111125112612271228820821922923V570G5ҊUIxvJ`iq!:BJS\ 35841002뒣Am`$v'OB@{P̑LOYi(Cc1ccc(cc1N1CCNCC1)FOSA$d64e8f19-16ad-4bb6-8e05-935b53bb5e1229C12 -0.8100000020C2 2.86602545 -1.309999940C3 2.86602545 -2.309999940C4 3.7320509 -2.809999940C5 4.59807634 -2.309999940C6 4.59807634 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980C9 4.59807634 0.6899999980 C10 4.59807634 1.690000060 N11 3.7320509 2.190000060 C12 2.86602545 1.690000060 C13 2.86602545 0.6899999980 F14 5.46410179 -2.809999940H15 2.30999994 -0.2730642260H16 1.46306419 -0.500000060H17 1.69000006 -1.346935750H18 2.32908964 -2.619999890H19 3.7320509 -3.429999830H20 5.13501215 -0.999999940H21 4.81012869 0.1073905680H22 5.20865726 0.7976618410H23 5.20865726 1.582338210H24 4.81012869 2.272609470H25 3.7320509 2.809999940H26 2.65397286 2.272609470H27 2.25544453 1.582338210H28 2.25544453 0.7976618410H29 2.65397286 0.107390568030                  0H00000000-0000-0000-0000-000000000000UsBҁ(Y6/T jfm@} ONƳE?B}1-(4-FLUORO-2-METHYLPHENYL)PIPERAZINE, 1-(4-Fluoro-2-methylphenyl)piperazine, 1-(4-fluoro-2-methylphenyl)piperazine, FCH5005854, QN-7172, W11128, WXC01237^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@hGA@*̟ŗMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=35840819Y*LH{,[[DD̍Wi C11H15FN2e1\@,W 307952-16-5ʹu4O}45?8OSA$21adfd88-e92a-482b-ada5-7c363d68997029 F1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807587 -1.809999940C4 4.59807587 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602497 -0.8100000020C7 2.86602497 -1.809999940C82 -0.3100000020 N9 3.7320509 0.6899999980 C10 4.59807587 1.190000060 C11 4.59807587 2.190000060 N12 3.7320509 2.690000060 C13 2.86602497 2.190000060C14 2.86602497 1.190000060H15 5.13501215 -2.119999890H16 5.13501215-0.50H17 2.32909012 -2.119999890H18 2.30999994 0.2269358040H19 1.46306396-1.42131498e-080H20 1.69000006 -0.8469356890H21 4.81012917 0.6073905830H22 5.20865679 1.297662020H23 5.20865679 2.082338090H24 4.810129172.7726090H25 3.7320509 3.309999940H26 2.65397312.7726090H272.255445 2.082338090H282.255445 1.297662020H29 2.6539731 0.607390583030                    002811109843210657171819161415131225262728202122232910119108948342312011656455771771871961621431581312131112122512261327132892092110221023V570G5ҊUIxvJ`iq!:BJS\ 35840819뒣Am`$v'OB@{P̑LOYi,Fc1ccc(c(c1)C)N1CCNCC1|OSA$21adfd88-e92a-482b-ada5-7c363d68997029 F1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807634 -1.809999940C4 4.59807634 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602545 -0.8100000020C7 2.86602545 -1.809999940C82 -0.3100000020N9 3.7320509 0.6899999980 C10 4.59807634 1.190000060 C11 4.59807634 2.190000060 N12 3.7320509 2.690000060 C13 2.86602545 2.190000060 C14 2.86602545 1.190000060H15 5.13501215 -2.119999890H16 5.13501215-0.50H17 2.32908964 -2.119999890H18 2.30999994 0.2269357590H19 1.46306419-1.42131542e-0080H20 1.69000006 -0.8469357490H21 4.81012869 0.6073906420H22 5.20865726 1.29766190H23 5.20865726 2.082338090H24 4.81012869 2.772609470H25 3.7320509 3.309999940H26 2.65397286 2.772609470H27 2.25544453 2.082338090H28 2.25544453 1.29766190H29 2.65397286 0.607390642030                    0H00000000-0000-0000-0000-0000000000000RID3- 6 jfm@} ONƳE?B}21-(3-fluoro-4-methylphenyl)piperazine, FCH4741799^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@hGA@*̟ŗMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=35840934Y*LH{,[[DD̍Wi C11H15FN2e1\@,W 1478-85-9ʹu4O}46?8OSA$3a1b14ec-c6ab-49b6-a122-e8e3d82c19d029C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807587 -1.809999940C4 4.59807587 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602497 -0.8100000020C7 2.86602497 -1.809999940 F82 -2.309999940 N9 3.7320509 0.6899999980 C10 4.59807587 1.190000060 C11 4.59807587 2.190000060 N12 3.7320509 2.690000060 C13 2.86602497 2.190000060C14 2.86602497 1.190000060H15 3.11205101 -3.309999940H16 3.7320509 -3.930000070H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32909012-0.50H21 4.81012917 0.6073905830H22 5.20865679 1.297662020H23 5.20865679 2.082338090H24 4.810129172.7726090H25 3.7320509 3.309999940H26 2.65397312.7726090H272.255445 2.082338090H282.255445 1.297662020H29 2.6539731 0.607390583030                    002811109843210141516651971718131225262728202122232910119108948342312010140150161656455196721731881312131112122512261327132892092110221023V570G5ҊUIxvJ`iq!:BJS\ 35840934뒣Am`$v'OB@{P̑LOYi(Cc1ccc(cc1F)N1CCNCC1mOSA$3a1b14ec-c6ab-49b6-a122-e8e3d82c19d029C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807634 -1.809999940C4 4.59807634 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602545 -0.8100000020C7 2.86602545 -1.809999940 F82 -2.309999940N9 3.7320509 0.6899999980 C10 4.59807634 1.190000060 C11 4.59807634 2.190000060 N12 3.7320509 2.690000060 C13 2.86602545 2.190000060 C14 2.86602545 1.190000060H15 3.11205101 -3.309999940H16 3.7320509 -3.929999830H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32908964-0.50H21 4.81012869 0.6073906420H22 5.20865726 1.29766190H23 5.20865726 2.082338090H24 4.81012869 2.772609470H25 3.7320509 3.309999940H26 2.65397286 2.772609470H27 2.25544453 2.082338090H28 2.25544453 1.29766190H29 2.65397286 0.607390642030                    0H00000000-0000-0000-0000-0000000000003[yB+FG1* jfm@} O729NƳE?B}A1-(2-fluorophenyl)-3-methylpiperazine, EN300-174616, Z1824497871^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=39272823)3˙FWd-Ͼ(U?/|GaC V"@<׵C@hGA@*̟ŗ MFCD16842036McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=39272823Y*LH{,Enamine BB - EU Stock[[DD̍Wi C11H15FN2e1\@,W 1248478-93-4ʹu4O}47?8OSA$9b9a3359-4315-44c9-9d9f-f82925cd432429C12 2.190000060C2 2.86602497 1.690000060N3 3.7320509 2.190000060C4 4.59807587 1.690000060C5 4.59807587 0.6899999980N6 3.7320509 0.1899999980C7 2.86602497 0.6899999980C8 3.7320509 -0.8100000020 C9 4.59807587 -1.309999940 C10 4.59807587 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602497 -2.309999940 C13 2.86602497 -1.309999940 F142 -0.8100000020H15 2.30999994 2.72693610H16 1.463063962.50H17 1.69000006 1.653064010H18 2.86602497 2.309999940H19 3.7320509 2.809999940H20 5.20865679 1.582337980H21 4.810129172.2726090H22 4.81012917 0.1073905970H23 5.20865679 0.7976617810H242.255445 0.7976617810H25 2.6539731 0.1073905970H26 5.13501215 -0.9999998810H27 5.13501215 -2.619999890H28 3.7320509 -3.430000070H29 2.32909012 -2.61999989030              00282101415166543192021227891011121328272625232417291201014015016165645342331932042142257788991010111112712121311281027926825623624117V570G5ҊUIgxvJ`i EN300-174616q!:BJS\ 39272823뒣Am`$v preferred'OB@{USDP̑LOYi(CC1NCCN(C1)c1ccccc1FnOSA$9b9a3359-4315-44c9-9d9f-f82925cd432429C12 2.190000060C2 2.86602545 1.690000060N3 3.7320509 2.190000060C4 4.59807634 1.690000060C5 4.59807634 0.6899999980N6 3.7320509 0.1899999980C7 2.86602545 0.6899999980C8 3.7320509 -0.8100000020C9 4.59807634 -1.309999940 C10 4.59807634 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602545 -2.309999940 C13 2.86602545 -1.309999940 F142 -0.8100000020H15 2.30999994 2.726935860H16 1.463064192.50H17 1.69000006 1.653064250H18 2.86602545 2.309999940H19 3.7320509 2.809999940H20 5.20865726 1.582338210H21 4.81012869 2.272609470H22 4.81012869 0.1073905680H23 5.20865726 0.7976618410H24 2.25544453 0.7976618410H25 2.65397286 0.1073905680H26 5.13501215 -0.999999940H27 5.13501215 -2.619999890H28 3.7320509 -3.429999830H29 2.32908964 -2.61999989030              0H00000000-0000-0000-0000-000000000000(!F͚# jfm@} ONƳE?B}21-(2-fluoro-5-methylphenyl)piperazine, FCH5785429^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@hGA@*̟ŗMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=35840992Y*LH{,[[DD̍Wi C11H15FN2e1\@,W 321602-29-3ʹu4O}48?8OSA$b71e2399-1753-4709-a001-11210cfed3e129 F12 -0.8100000020C2 2.86602497 -1.309999940C3 2.86602497 -2.309999940C4 3.7320509 -2.809999940C5 4.59807587 -2.309999940C6 4.59807587 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980 C9 4.59807587 0.6899999980 C10 4.59807587 1.690000060 N11 3.7320509 2.190000060 C12 2.86602497 1.690000060 C13 2.86602497 0.6899999980C14 5.46410179 -2.809999940H15 2.32909012 -2.619999890H16 3.7320509 -3.430000070H17 5.13501215 -0.9999998810H18 4.81012917 0.1073905970H19 5.20865679 0.7976617810H20 5.20865679 1.582337980H21 4.810129172.2726090H22 3.7320509 2.809999940H23 2.65397312.2726090H242.255445 1.582337980H252.255445 0.7976617810H26 2.6539731 0.1073905970H27 5.15410185 -3.346935990H28 6.00103807 -3.119999890H29 5.77410221 -2.2730639030                     002810987654321014151326272816121122232425171819202991089786756453423120116214315413132613271328516712111210111122112312241225817818919920V570G5ҊUIxvJ`iq!:BJS\ 35840992뒣Am`$v'OB@{P̑LOYi(Fc1ccc(cc1N1CCNCC1)COSA$b71e2399-1753-4709-a001-11210cfed3e129 F12 -0.8100000020C2 2.86602545 -1.309999940C3 2.86602545 -2.309999940C4 3.7320509 -2.809999940C5 4.59807634 -2.309999940C6 4.59807634 -1.309999940C7 3.7320509 -0.8100000020N8 3.7320509 0.1899999980C9 4.59807634 0.6899999980 C10 4.59807634 1.690000060 N11 3.7320509 2.190000060 C12 2.86602545 1.690000060 C13 2.86602545 0.6899999980 C14 5.46410179 -2.809999940H15 2.32908964 -2.619999890H16 3.7320509 -3.429999830H17 5.13501215 -0.999999940H18 4.81012869 0.1073905680H19 5.20865726 0.7976618410H20 5.20865726 1.582338210H21 4.81012869 2.272609470H22 3.7320509 2.809999940H23 2.65397286 2.272609470H24 2.25544453 1.582338210H25 2.25544453 0.7976618410H26 2.65397286 0.1073905680H27 5.15410185 -3.346935750H28 6.0010376 -3.119999890H29 5.77410173 -2.27306414030                     0H00000000-0000-0000-0000-0000000000004npG̛`" jfm@} ONƳE?B}51-(4-fluoro-3-methylphenyl)piperazine, IMED839216829^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@hGA@*̟ŗMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=35840602Y*LH{,[[DD̍Wi C11H15FN2e1\@,Wʹu4O}49?8OSA$beed82db-f5f1-4c2c-ae59-fb4b1fcaec6429 F1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807587 -1.809999940C4 4.59807587 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602497 -0.8100000020C7 2.86602497 -1.809999940C82 -2.309999940 N9 3.7320509 0.6899999980 C10 4.59807587 1.190000060 C11 4.59807587 2.190000060 N12 3.7320509 2.690000060 C13 2.86602497 2.190000060C14 2.86602497 1.190000060H15 5.13501215 -2.119999890H16 5.13501215-0.50H17 2.32909012-0.50H18 1.69000006 -1.773064020H19 1.46306396 -2.619999890H20 2.30999994 -2.846935990H21 4.81012917 0.6073905830H22 5.20865679 1.297662020H23 5.20865679 2.082338090H24 4.810129172.7726090H25 3.7320509 3.309999940H26 2.65397312.7726090H272.255445 2.082338090H282.255445 1.297662020H29 2.6539731 0.607390583030                    002811109843210651671718191415131225262728202122232910119108948342312011656455166771771871921431581312131112122512261327132892092110221023V570G5ҊUIxvJ`iq!:BJS\ 35840602뒣Am`$v'OB@{P̑LOYi(Fc1ccc(cc1C)N1CCNCC1nOSA$beed82db-f5f1-4c2c-ae59-fb4b1fcaec6429 F1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807634 -1.809999940C4 4.59807634 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602545 -0.8100000020C7 2.86602545 -1.809999940C82 -2.309999940N9 3.7320509 0.6899999980 C10 4.59807634 1.190000060 C11 4.59807634 2.190000060 N12 3.7320509 2.690000060 C13 2.86602545 2.190000060 C14 2.86602545 1.190000060H15 5.13501215 -2.119999890H16 5.13501215-0.50H17 2.32908964-0.50H18 1.69000006 -1.773064140H19 1.46306419 -2.619999890H20 2.30999994 -2.846935750H21 4.81012869 0.6073906420H22 5.20865726 1.29766190H23 5.20865726 2.082338090H24 4.81012869 2.772609470H25 3.7320509 3.309999940H26 2.65397286 2.772609470H27 2.25544453 2.082338090H28 2.25544453 1.29766190H29 2.65397286 0.607390642030                    0H00000000-0000-0000-0000-000000000000hpC>0v jfm@} O417NƳE?B}A1-(3-fluorophenyl)-3-methylpiperazine, EN300-219871, Z2216303313^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=39272803)3˙FWd-Ͼ(U@Y/|GaC V"@i<׵C@hGA@*̟ŗ MFCD16842029McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=39272803Y*LH{,Enamine BB - UA Stock[[DD̍Wi C11H15FN2e1\@,Wʹu4O}50?8OSA$a84fb711-7a44-4c85-a93c-a3c0ca266ba629C12 2.190000060C2 2.86602497 1.690000060N3 3.7320509 2.190000060C4 4.59807587 1.690000060C5 4.59807587 0.6899999980N6 3.7320509 0.1899999980C7 2.86602497 0.6899999980C8 3.7320509 -0.8100000020 C9 4.59807587 -1.309999940 C10 4.59807587 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602497 -2.309999940 C13 2.86602497 -1.309999940 F142 -2.809999940H15 2.30999994 2.72693610H16 1.463063962.50H17 1.69000006 1.653064010H18 2.86602497 2.309999940H19 3.7320509 2.809999940H20 5.20865679 1.582337980H21 4.810129172.2726090H22 4.81012917 0.1073905970H23 5.20865679 0.7976617810H242.255445 0.7976617810H25 2.6539731 0.1073905970H26 5.13501215 -0.9999998810H27 5.13501215 -2.619999890H28 3.7320509 -3.430000070H29 2.32909012 -0.999999881030              00282101415166543192021227891011122813272625232417291201014015016165645342331932042142257788991010111112712122811131027926825623624117V570G5ҊUImgxvJ`i EN300-219871q!:BJS\ 39272803뒣Am`$v preferred'OB@{USDP̑LOYi,CC1NCCN(C1)c1cccc(c1)FmOSA$a84fb711-7a44-4c85-a93c-a3c0ca266ba629C12 2.190000060C2 2.86602545 1.690000060N3 3.7320509 2.190000060C4 4.59807634 1.690000060C5 4.59807634 0.6899999980N6 3.7320509 0.1899999980C7 2.86602545 0.6899999980C8 3.7320509 -0.8100000020C9 4.59807634 -1.309999940 C10 4.59807634 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602545 -2.309999940 C13 2.86602545 -1.309999940 F142 -2.809999940H15 2.30999994 2.726935860H16 1.463064192.50H17 1.69000006 1.653064250H18 2.86602545 2.309999940H19 3.7320509 2.809999940H20 5.20865726 1.582338210H21 4.81012869 2.272609470H22 4.81012869 0.1073905680H23 5.20865726 0.7976618410H24 2.25544453 0.7976618410H25 2.65397286 0.1073905680H26 5.13501215 -0.999999940H27 5.13501215 -2.619999890H28 3.7320509 -3.429999830H29 2.32908964 -0.99999994030              0H00000000-0000-0000-0000-000000000000IL~G#| jfm@} O35NƳE?B}71-(3-Fluorophenyl)-4-methylpiperazine, B-8400, OT-1722^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=36749429)3˙FWd-Ͼ(U?/|GaC V"@:<׵C@hGA@*̟ŗ MFCD20441884McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=36749429Y*LH{, Combi-Blocks[[DD̍Wi C11H15FN2e1\@,W 218940-66-0ʹu4O}8V570G5ҊUIgxvJ`iOT-1722q!:BJS\ 36749429뒣Am`$v standard'OB@{USDP̑LOYi,CN1CCN(CC1)c1cccc(c1)FOSA$1541a133-4b85-4428-b6fd-82c67ef733f729C1 2.8660254530N2 2.8660254520C3 3.73205091.50C4 3.73205090.50N5 2.8660254500C620.50C721.50C8 2.86602545-10C92-1.50 C102-2.50 C11 2.86602545-30 C12 3.7320509-2.50 C13 3.7320509-1.50 F14 4.59807634-30H15 3.4860253330H16 2.86602545 3.619999890H17 2.2460255630H18 4.34263182 1.392338160H19 3.94410348 2.082609420H20 3.94410348 -0.082609430H21 4.34263182 0.6076618430H22 1.3894192 0.6076618430H23 1.78794754 -0.082609430H24 1.78794754 2.082609420H25 1.3894192 1.392338160H26 1.46306419 -1.189999940H27 1.46306419 -2.809999940H28 2.86602545 -3.619999890H29 4.2689867 -1.18999994030              0H00000000-0000-0000-0000-000000000000NC? s jfm@} ONƳE?B}21-(2-fluoro-4-methylphenyl)piperazine, FCH5335450^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@hGA@*̟ŗMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=35841008Y*LH{,[[DD̍Wi C11H15FN2e1\@,W 845616-72-0ʹu4O}51?8OSA$22a84c23-eb9c-497b-89d8-e262561e6b5029C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807587 -1.809999940C4 4.59807587 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602497 -0.8100000020C7 2.86602497 -1.809999940 F82 -0.3100000020 N9 3.7320509 0.6899999980 C10 4.59807587 1.190000060 C11 4.59807587 2.190000060 N12 3.7320509 2.690000060 C13 2.86602497 2.190000060C14 2.86602497 1.190000060H15 3.11205101 -3.309999940H16 3.7320509 -3.930000070H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32909012 -2.119999890H21 4.81012917 0.6073905830H22 5.20865679 1.297662020H23 5.20865679 2.082338090H24 4.810129172.7726090H25 3.7320509 3.309999940H26 2.65397312.7726090H272.255445 2.082338090H282.255445 1.297662020H29 2.6539731 0.607390583030                    002811109843210141516657191718131225262728202122232910119108948342312010140150161656455761921731881312131112122512261327132892092110221023V570G5ҊUIxvJ`iq!:BJS\ 35841008뒣Am`$v'OB@{P̑LOYi,Cc1ccc(c(c1)F)N1CCNCC1uOSA$22a84c23-eb9c-497b-89d8-e262561e6b5029C1 3.7320509 -3.309999940C2 3.7320509 -2.309999940C3 4.59807634 -1.809999940C4 4.59807634 -0.8100000020C5 3.7320509 -0.3100000020C6 2.86602545 -0.8100000020C7 2.86602545 -1.809999940 F82 -0.3100000020N9 3.7320509 0.6899999980 C10 4.59807634 1.190000060 C11 4.59807634 2.190000060 N12 3.7320509 2.690000060 C13 2.86602545 2.190000060 C14 2.86602545 1.190000060H15 3.11205101 -3.309999940H16 3.7320509 -3.929999830H17 4.35205078 -3.309999940H18 5.13501215 -2.119999890H19 5.13501215-0.50H20 2.32908964 -2.119999890H21 4.81012869 0.6073906420H22 5.20865726 1.29766190H23 5.20865726 2.082338090H24 4.81012869 2.772609470H25 3.7320509 3.309999940H26 2.65397286 2.772609470H27 2.25544453 2.082338090H28 2.25544453 1.29766190H29 2.65397286 0.607390642030                    0H00000000-0000-0000-0000-000000000000'0Ou5] ' jfm@} O729NƳE?B}41-(2-fluorophenyl)-2-methylpiperazine, EN300-174349^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=40875077)3˙FWd-Ͼ(U?/|GaC V"@<׵C@hGA@*̟ŗ MFCD16303919McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=40875077Y*LH{,Enamine BB - EU Stock[[DD̍Wi C11H15FN2e1\@,W 148888-23-7ʹu4O}52?8OSA$ca73c5e7-ac29-4578-a1dd-17c535d06f3929C12 0.1899999980C2 2.86602497 0.6899999980C3 2.86602497 1.690000060N4 3.7320509 2.190000060C5 4.59807587 1.690000060C6 4.59807587 0.6899999980N7 3.7320509 0.1899999980C8 3.7320509 -0.8100000020 C9 4.59807587 -1.309999940 C10 4.59807587 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602497 -2.309999940 C13 2.86602497 -1.309999940 F142 -0.8100000020H15 1.69000006 0.7269356850H16 1.46306396 -0.1199999970H17 2.30999994 -0.3469356890H18 2.86602497 0.07000000030H19 2.65397312.2726090H202.255445 1.582337980H21 3.7320509 2.809999940H22 5.20865679 1.582337980H23 4.810129172.2726090H24 4.81012917 0.1073905970H25 5.20865679 0.7976617810H26 5.13501215 -0.9999998810H27 5.13501215 -2.619999890H28 3.7320509 -3.430000070H29 2.32909012 -2.61999989030              00283210141516654212223247891011121328272625171819292312010140150161656453442142252352467788991010111112712121311281027926825117218219V570G5ҊUIgxvJ`i EN300-174349q!:BJS\ 40875077뒣Am`$v preferred'OB@{USDP̑LOYi$CC1CNCCN1c1ccccc1FzOSA$ca73c5e7-ac29-4578-a1dd-17c535d06f3929C12 0.1899999980C2 2.86602545 0.6899999980C3 2.86602545 1.690000060N4 3.7320509 2.190000060C5 4.59807634 1.690000060C6 4.59807634 0.6899999980N7 3.7320509 0.1899999980C8 3.7320509 -0.8100000020C9 4.59807634 -1.309999940 C10 4.59807634 -2.309999940 C11 3.7320509 -2.809999940 C12 2.86602545 -2.309999940 C13 2.86602545 -1.309999940 F142 -0.8100000020H15 1.69000006 0.7269357440H16 1.46306419 -0.119999990H17 2.30999994 -0.3469357490H18 2.86602545 0.07000000030H19 2.65397286 2.272609470H20 2.25544453 1.582338210H21 3.7320509 2.809999940H22 5.20865726 1.582338210H23 4.81012869 2.272609470H24 4.81012869 0.1073905680H25 5.20865726 0.7976618410H26 5.13501215 -0.999999940H27 5.13501215 -2.619999890H28 3.7320509 -3.429999830H29 2.32908964 -2.61999989030              0H00000000-0000-0000-0000-000000000000 JB P jfm@} O7NƳE?B} V007-8935^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=32352297)3˙FWd-Ͼ(U@/|GaC V"@^<׵C@iA@*̟ŗ MFCD06804024McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=32352297Y*LH{,ChemDiv[[DD̍Wi C12H16N2Oe1\@,Wʹu4O}53?8(OSA$41134f04-a55a-4b38-adf7-e8a86f7f452431C12 -2.809999940C2 2.86602497 -2.309999940C3 3.7320509 -2.809999940C4 4.59807587 -2.309999940C5 4.59807587 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602497 -1.309999940N8 3.7320509 0.1899999980 C9 4.59807587 0.6899999980 C10 4.59807587 1.690000060 N11 3.7320509 2.190000060 C12 2.86602497 1.690000060 C13 2.86602497 0.6899999980O142 0.1899999980C152 2.190000060H16 1.69000006 -2.27306390H17 1.46306396 -3.119999890H18 2.30999994 -3.346935990H19 3.7320509 -3.430000070H20 5.13501215 -2.619999890H21 5.13501215 -0.9999998810H22 2.32909012 -0.9999998810H23 4.81012917 0.1073905970H24 5.20865679 0.7976617810H25 5.20865679 1.582337980H26 4.810129172.2726090H27 3.7320509 2.809999940H28 2.86602497 2.309999940H29 2.30999994 2.72693610H30 1.463063962.50H31 1.69000006 1.65306401032                 003010987543210151617621181920121114282930271322232425319108978574534231201015016017165662121831942071211121011111414281429143011271213822823924925V570G5ҊUImgxvJ`i V007-8935q!:BJS\ 32352297뒣Am`$v preferred'OB@{USDP̑LOYi0Cc1cccc(c1)N1CCNC(C1=O)COSA$41134f04-a55a-4b38-adf7-e8a86f7f452431C12 -2.809999940C2 2.86602545 -2.309999940C3 3.7320509 -2.809999940C4 4.59807634 -2.309999940C5 4.59807634 -1.309999940C6 3.7320509 -0.8100000020C7 2.86602545 -1.309999940N8 3.7320509 0.1899999980C9 4.59807634 0.6899999980 C10 4.59807634 1.690000060 N11 3.7320509 2.190000060 C12 2.86602545 1.690000060 C13 2.86602545 0.6899999980 O142 0.1899999980C152 2.190000060H16 1.69000006 -2.273064140H17 1.46306419 -3.119999890H18 2.30999994 -3.346935750H19 3.7320509 -3.429999830H20 5.13501215 -2.619999890H21 5.13501215 -0.999999940H22 2.32908964 -0.999999940H23 4.81012869 0.1073905680H24 5.20865726 0.7976618410H25 5.20865726 1.582338210H26 4.81012869 2.272609470H27 3.7320509 2.809999940H28 2.86602545 2.309999940H29 2.30999994 2.726935860H30 1.463064192.50H31 1.69000006 1.65306425032                0H00000000-0000-0000-0000-000000000000`A(C$O jfm@} O503NƳE?B}3-(4-METHYLPIPERAZINYL)BENZALDEHYDE, 3-(4-Methylpiperazin-1-yl)benzaldehyde, 3-(4-Methylpiperazinyl)benzaldehyde, 3-(4-methylpiperazinyl)benzaldehyde, 180863, 29166, A-12731, AC1383, AS20636, AX8080241, B80241, BB95-0658, ST-7669, SY003061^GP~ܛr?!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=2732926)3˙FWd-Ͼ(U@/|GaC V"@0<׵C@iA@*̟ŗ MFCD09030500McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=2732926Y*LH{,AOKBIO - INSTOCK[[DD̍Wi C12H16N2Oe1\@,W 628325-62-2ʹu4O}8V570G5ҊUIgxvJ`iAC1383q!:BJS\2732926뒣Am`$v nonpreferred'OB@{USDP̑LOYi0O=Cc1cccc(c1)N1CCN(CC1)C_OSA$d7bc7664-0b0d-4327-ba6f-4ad85a36901d31O1 2.53693581-3.50C2 2.53693581-2.50C3 3.40296125-20C4 4.2689867-2.50C5 5.13501215-20C6 5.13501215-10C7 4.2689867-0.50C8 3.40296125-10N9 4.26898670.50 C10 5.1350121510 C11 5.1350121520 N12 4.26898672.50 C13 3.4029612520 C14 3.4029612510C15 4.26898673.50H162 -2.190000060H17 4.2689867 -3.119999890H18 5.67194796 -2.309999940H19 5.67194796 -0.6899999980H20 2.86602545 -0.6899999980H21 5.3470645 0.4173905850H22 5.74559307 1.107661840H23 5.74559307 1.892338160H24 5.3470645 2.582609420H25 3.19090867 2.582609420H26 2.79238033 1.892338160H27 2.79238033 1.107661840H28 3.19090867 0.4173905850H29 4.888986593.50H30 4.2689867 4.119999890H31 3.648986823.5032                    0H00000000-0000-0000-0000-00000000000098rLwq! jfm@} O729NƳE?B}14-(3-oxopiperazin-1-yl)benzaldehyde, EN300-90476^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=36790547)3˙FWd-Ͼ(U?/|GaC V"@<׵C@i3@A@*̟ŗ MFCD11156400McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=36790547Y*LH{,Enamine BB - EU Stock[[DD̍Wi C11H12N2O2e1\@,W 1021240-40-3ʹu4O}8V570G5ҊUIgxvJ`i EN300-90476q!:BJS\ 36790547뒣Am`$v preferred'OB@{USDP̑LOYi2O=Cc1ccc(cc1)N1CCNC(=O)C1OSA$248b1fe9-baf3-4d75-8866-8254c9cbbccc27O1 4.59807634 -3.559999940C2 3.7320509 -3.059999940C3 3.7320509 -2.059999940C4 4.59807634 -1.559999940C5 4.59807634 -0.5600000020C6 3.7320509 -0.05999999870C7 2.86602545 -0.5600000020C8 2.86602545 -1.559999940N9 3.7320509 0.9399999980 C10 4.59807634 1.440000060 C11 4.59807634 2.440000060 N12 3.7320509 2.940000060 C13 2.86602545 2.440000060 O142 2.940000060C15 2.86602545 1.440000060H16 3.19511509 -3.369999890H17 5.13501215-1.870H18 5.13501215-0.250H19 2.32908964-0.250H20 2.32908964-1.870H21 4.81012869 0.8573906420H22 5.20865726 1.54766190H23 5.20865726 2.332338090H24 4.81012869 3.022609470H25 3.7320509 3.559999940H26 2.25544453 1.54766190H27 2.65397286 0.857390642028               0H00000000-0000-0000-0000-000000000000g6xhttps://www.emolecules.com/cgi-bin/find?id=109880124)3˙FWd-Ͼ(U/|GaC V"<׵C@iKA@*̟ŗ MFCD19375330McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=109880124Y*LH{,Ark Pharm - POA[[DD̍Wi C10H12N4Oe1\@,W 105685-14-1ʹu4O}54?8)OSA$190b3735-bf02-42b6-8b20-9552f5fd78ad27N1 2.86602497 2.190000060C2 3.7320509 1.690000060C3 3.7320509 0.6899999980N4 2.86602497 0.1899999980C52 0.6899999980C62 1.690000060C7 2.86602497 -0.8100000020C82 -1.309999940 C92 -2.309999940 C10 2.86602497 -2.809999940 C11 3.7320509 -2.309999940 C12 3.7320509 -1.309999940 N13 4.67827082 -1.005267980O14 5.26187897 -1.809999940N15 4.67827082 -2.614732030H16 2.86602497 2.809999940H17 4.34263182 1.582337980H183.9441032.2726090H193.944103 0.1073905970H20 4.34263182 0.7976617810H21 1.38941896 0.7976617810H22 1.78794801 0.1073905970H23 1.787948012.2726090H24 1.38941896 1.582337980H25 1.46306396 -0.9999998810H26 1.46306396 -2.619999890H27 2.86602497 -3.43000007029              0026012345222320216789101112131426252418191617280112233445055225234204213667788991010116111112121313141014926825724218219116117V570G5ҊUIxvJ`i AK667254q!:BJS\ 109880124뒣Am`$v preferred'OB@{P̑LOYi.N1CCN(CC1)c1cccc2c1non2OSA$190b3735-bf02-42b6-8b20-9552f5fd78ad27N1 2.86602545 2.190000060C2 3.7320509 1.690000060C3 3.7320509 0.6899999980N4 2.86602545 0.1899999980C52 0.6899999980C62 1.690000060C7 2.86602545 -0.8100000020C82 -1.309999940C92 -2.309999940 C10 2.86602545 -2.809999940 C11 3.7320509 -2.309999940 C12 3.7320509 -1.309999940 N13 4.67827082 -1.005267740 O14 5.26187944 -1.809999940N15 4.67827082 -2.614732270H16 2.86602545 2.809999940H17 4.34263182 1.582338210H18 3.94410348 2.272609470H19 3.94410348 0.1073905680H20 4.34263182 0.7976618410H21 1.3894192 0.7976618410H22 1.78794754 0.1073905680H23 1.78794754 2.272609470H24 1.3894192 1.582338210H25 1.46306431 -0.999999940H26 1.46306419 -2.619999890H27 2.86602545 -3.42999983029              0H00000000-0000-0000-0000-000000000000Pj!iC@;W& jfm@} O1365NƳE?B}4(S)-3-Methyl-1-phenylpiperazine-2,5-dione, AK462547^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=81855383)3˙FWd-Ͼ(U/|GaC V"<׵C@i3@A@*̟ŗ MFCD18832637McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=81855383Y*LH{,Ark Pharm - POA[[DD̍Wi C11H12N2O2e1\@,W 799783-01-0ʹu4O}8V570G5ҊUIxvJ`i AK462547q!:BJS\ 81855383뒣Am`$v preferred'OB@{P̑LOYi<C[C@@H]1NC(=O)CN(C1=O)c1ccccc1OSA$65657e1c-b8e6-4c8a-aeea-38ae07f25ebc27C12 2.190000060C2 2.86602545 1.690000060H3 2.86602545 2.309999940N4 3.7320509 2.190000060C5 4.59807634 1.690000060O6 5.46410179 2.190000060C7 4.59807634 0.6899999980N8 3.7320509 0.1899999980C9 2.86602545 0.6899999980 O102 0.1899999980 C11 3.7320509 -0.8100000020 C12 2.86602545 -1.309999940 C13 2.86602545 -2.309999940 C14 3.7320509 -2.809999940C15 4.59807634 -2.309999940C16 4.59807634 -1.309999940H17 2.30999994 2.726935860H18 1.463064192.50H19 1.69000006 1.653064250H20 3.7320509 2.809999940H21 4.81012869 0.1073905680H22 5.20865726 0.7976618410H23 2.32908964 -0.999999940H24 2.32908964 -2.619999890H25 3.7320509 -3.429999830H26 5.13501215 -2.619999890H27 5.13501215 -0.99999994028              0H00000000-0000-0000-0000-000000000000![?Of|4pV1F jfm@} O104NƳE?B}56-methyl-1-(2-methylphenyl)piperazin-2-one, 24776932^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=68882402)3˙FWd-Ͼ(U/|GaC V"<׵C@iA@*̟ŗ MFCD26640972McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=68882402Y*LH{, ChemBridge[[DD̍Wi C12H16N2Oe1\@,Wʹu4O}55?8?OSA$1a288b08-8ed5-4363-b233-bbbc30441ca831C12 0.1899999980C2 2.86602497 0.6899999980C3 2.86602497 1.690000060N4 3.7320509 2.190000060C5 4.59807587 1.690000060C6 4.59807587 0.6899999980O7 5.46410179 0.1899999980N8 3.7320509 0.1899999980 C9 3.7320509 -0.8100000020 C10 4.59807587 -1.309999940 C11 4.59807587 -2.309999940 C12 3.7320509 -2.809999940 C13 2.86602497 -2.309999940C14 2.86602497 -1.309999940C152 -0.8100000020H16 1.69000006 0.7269356850H17 1.46306396 -0.1199999970H18 2.30999994 -0.3469356890H19 2.86602497 0.07000000030H20 2.65397312.2726090H212.255445 1.582337980H22 3.7320509 2.809999940H23 5.20865679 1.582337980H24 4.810129172.2726090H25 5.13501215 -0.9999998810H26 5.13501215 -2.619999890H27 3.7320509 -3.430000070H28 2.32909012 -2.619999890H29 2.30999994 -0.2730641960H30 1.46306396 -0.5000001190H31 1.69000006 -1.34693599032                 00303210151617754222368910111213142829302726252418192031231201015016017175745344224235678899101011111212138131314142814291430122711261025924118219220V570G5ҊUIxvJ`i 24776932q!:BJS\ 68882402뒣Am`$v preferred'OB@{P̑LOYi,CC1CNCC(=O)N1c1ccccc1COSA$1a288b08-8ed5-4363-b233-bbbc30441ca831C12 0.1899999980C2 2.86602545 0.6899999980C3 2.86602545 1.690000060N4 3.7320509 2.190000060C5 4.59807634 1.690000060C6 4.59807634 0.6899999980O7 5.46410179 0.1899999980N8 3.7320509 0.1899999980C9 3.7320509 -0.8100000020 C10 4.59807634 -1.309999940 C11 4.59807634 -2.309999940 C12 3.7320509 -2.809999940 C13 2.86602545 -2.309999940 C14 2.86602545 -1.309999940C152 -0.8100000020H16 1.69000006 0.7269357440H17 1.46306419 -0.119999990H18 2.30999994 -0.3469357490H19 2.86602545 0.07000000030H20 2.65397286 2.272609470H21 2.25544453 1.582338210H22 3.7320509 2.809999940H23 5.20865726 1.582338210H24 4.81012869 2.272609470H25 5.13501215 -0.999999940H26 5.13501215 -2.619999890H27 3.7320509 -3.429999830H28 2.32908964 -2.619999890H29 2.30999994 -0.2730642260H30 1.46306419 -0.500000060H31 1.69000006 -1.34693575032                0H00000000-0000-0000-0000-000000000000 C,8 jfm@} O1365NƳE?B},4-Ethyl-1-phenylpiperazin-2-imine, AK459883^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=81851031)3˙FWd-Ͼ(U/|GaC V"<׵C@ii`A@*̟ŗ MFCD28959554McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=81851031Y*LH{,Ark Pharm - POA[[DD̍Wi C12H17N3e1\@,W 752156-64-2ʹu4O}8V570G5ҊUIxvJ`i AK459883q!:BJS\ 81851031뒣Am`$v preferred'OB@{P̑LOYi0CCN1CCN(C(=N)C1)c1ccccc1OSA$fa8bb108-e579-4407-b9a3-3ed747d3f61432C1 5.135012153.250C2 4.26898672.750N3 4.26898671.750C4 5.135012151.250C5 5.135012150.250N6 4.2689867-0.250C7 3.402961250.250N8 2.53693581-0.250C9 3.402961251.250 C10 4.2689867-1.250 C11 3.40296125-1.750 C12 3.40296125-2.750 C13 4.2689867-3.250 C14 5.13501215-2.750C15 5.13501215-1.750H16 5.44501209 2.713064190H17 5.67194796 3.559999940H18 4.82501221 3.786935810H19 4.05693436 3.332609420H20 3.65840578 2.642338040H21 5.74559307 1.142338160H22 5.3470645 1.832609420H23 5.3470645 -0.3326094150H24 5.74559307 0.3576618730H252 0.05999999870H26 3.19090867 1.832609420H27 2.79238033 1.142338160H28 2.86602545 -1.439999940H29 2.86602545 -3.059999940H30 4.2689867 -3.869999890H31 5.67194796 -3.059999940H32 5.67194796 -1.43999994033                0H00000000-0000-0000-0000-000000000000H< 8LY߱G jfm@} O503NƳE?B}4-(4-METHYLPIPERAZIN-1-YL)BENZALDEHYDE, 4-(4-Methyl-piperazin-1-yl)-benzaldehyde, 4-(4-Methylpiperazin-1-yl)benzaldehyde, 4-(4-Methylpiperazino)Benzaldehyde, 4-(4-Methylpiperazino)benzaldehyde, 4-(4-Methylpiperazino)benzenecarbaldehyde, 4-(4-Methylpiperazinyl)benzaldehyde, 4-(4-methylpiperazin-1-yl)benzaldehyde, 4-(4-methylpiperazino)benzaldehyde, 4-(4-methylpiperazino)benzenecarbaldehyde, 110117, 1270709, 17063, 33001, 3T-0301, 4090019, 44249, 4H15-1-T0, 500021933, 65R0003, A-20987, AC-2805, AC1644, AC181012, AH00104, AS21009, AX145000, AX8000014, B0014, B022029, BB05-2255, CC18704, EN300-125051, LN00148520, M1624, OR23309, OSSL_084364, PBMR130026, SS-3206, STK349833, STOCK1S-00302, SY003779, VLA-049^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=720502)3˙FWd-Ͼ(U@9/|GaC V"@<׵C@iA@*̟ŗ MFCD00452233McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=720502Y*LH{,AOKBIO - INSTOCK[[DD̍Wi C12H16N2Oe1\@,W27913-81-1, 27913-99-1ʹu4O}8V570G5ҊUIgxvJ`iAC1644q!:BJS\720502뒣Am`$v nonpreferred'OB@{USDP̑LOYi0O=Cc1ccc(cc1)N1CCN(CC1)CeOSA$e647cf30-60eb-4da7-9339-3d4c1ae6faab31O1 3.7320509-3.750C2 2.86602545-3.250C3 2.86602545-2.250C4 3.7320509-1.750C5 3.7320509-0.750C6 2.86602545-0.250C72-0.750C82-1.750N9 2.866025450.750 C10 3.73205091.250 C11 3.73205092.250 N12 2.866025452.750 C1322.250 C1421.250C15 2.866025453.750H16 2.32908964 -3.559999940H17 4.2689867 -2.059999940H18 4.2689867 -0.4399999980H19 1.46306419 -0.4399999980H20 1.46306419 -2.059999940H21 3.94410348 0.6673905850H22 4.34263182 1.357661840H23 4.34263182 2.142338040H24 3.94410348 2.832609420H25 1.78794754 2.832609420H26 1.3894192 2.142338040H27 1.3894192 1.357661840H28 1.78794754 0.6673905850H29 3.486025333.750H30 2.86602545 4.369999890H31 2.246025563.75032                    0H00000000-0000-0000-0000-000000000000E[-(]@ΤD  jfm@} ONƳE?B}1-(4-METHOXYPHENYL)PIPERAZINE, 1-(4-Methoxyphenyl)-piperazine, 1-(4-Methoxyphenyl)Piperazine, 1-(4-Methoxyphenyl)piperazine, 1-(4-Methoxyphenyl)piperazine Dihydrochloride, 1-(4-Methoxyphenyl)piperazine-d8, 1-(4-methoxyphenyl)piperazine, 1021, 140011, 25583, 29020, 4H07-1-27, A-19450, AGN-PC-0JO1YQ, AJP00755, AM-1950, AS20288-A, AX8033483, B33483, BB17-0746, BBL008940, BB_SC-11234, EN300-20754, F2190-0350, H2960, H55791, LF-0567, M226217, M266225, M67200, OSSL_149937, R090-0023, STK397317^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@hAA@*̟ŗMcK}RA thttps://www.emolecules.com/cgi-bin/more?vid=522678Y*LH{,[[DD̍Wi C11H16N2Oe1\@,W#38212-30-5, 38869-47-5, 84145-43-7ʹu4O}56?8OSA$ba8ca7cb-e51a-4e66-bb2d-d4bf256621e930C1 3.7320509 -3.559999940O2 2.86602497 -3.059999940C3 2.86602497 -2.059999940C4 3.7320509 -1.559999940C5 3.7320509 -0.5600000020C6 2.86602497 -0.05999999870C72 -0.5600000020C82 -1.559999940 N9 2.86602497 0.9399999980 C10 3.7320509 1.440000060 C11 3.7320509 2.440000060 N12 2.86602497 2.940000060 C132 2.440000060C142 1.440000060H15 3.42205095 -4.096936230H16 4.26898718 -3.869999890H17 4.04205084 -3.02306390H18 4.26898718-1.870H19 4.26898718-0.250H20 1.46306396-0.250H21 1.46306396-1.870H223.944103 0.8573905830H23 4.34263182 1.547662020H24 4.34263182 2.332338090H253.9441033.0226090H26 2.86602497 3.559999940H27 1.787948013.0226090H28 1.38941896 2.332338090H29 1.38941896 1.547662020H30 1.78794801 0.857390583031                    00291110985432101415167619201718131226272829212223243010119108958453423120101401501627675661972031741881312131112122612271328132992192210231024V570G5ҊUIxvJ`iq!:BJS\522678뒣Am`$v'OB@{P̑LOYi(COc1ccc(cc1)N1CCNCC1~OSA$ba8ca7cb-e51a-4e66-bb2d-d4bf256621e930C1 3.7320509 -3.559999940O2 2.86602545 -3.059999940C3 2.86602545 -2.059999940C4 3.7320509 -1.559999940C5 3.7320509 -0.5600000020C6 2.86602545 -0.05999999870C72 -0.5600000020C82 -1.559999940N9 2.86602545 0.9399999980 C10 3.7320509 1.440000060 C11 3.7320509 2.440000060 N12 2.86602545 2.940000060 C132 2.440000060 C142 1.440000060H15 3.42205095 -4.096935750H16 4.2689867 -3.869999890H17 4.04205084 -3.023064140H18 4.2689867-1.870H19 4.2689867-0.250H20 1.46306419-0.250H21 1.46306419-1.870H22 3.94410348 0.8573906420H23 4.34263182 1.54766190H24 4.34263182 2.332338090H25 3.94410348 3.022609470H26 2.86602545 3.559999940H27 1.78794754 3.022609470H28 1.3894192 2.332338090H29 1.3894192 1.54766190H30 1.78794754 0.857390642031                    0H00000000-0000-0000-0000-000000000000|@b&܁R jfm@} O503NƳE?B}1-(4-Hydroxyphenyl)-piperazine, 1-(4-Hydroxyphenyl)piperazine, 4-(1-Piperazinyl)phenol, 4-(Piperazin-1-yl)phenol, 4-(piperazin-1-yl)phenol, 4-Piperazin-1-ylphenol, N-(4-HYDROXYPHENYL)PIPERAZINE, N-(4-Hydroxyphenyl)piperazine Dihydrobromide, N-(4-Hydroxyphenyl)piperazine-d8, Dihydrobromide, N-(4-hydroxyphenyl)piperazine, 1043, 109970, 149288, 36715, 4H56-1-QK, 74304, AD7452, AGN-PC-0JLZOG, AK-35666, AS32410, AX147448, AX8012212, B12212, B20122, BB95-6014, BBV-00006125, BBV-34550587, EN300-17230, F14231, FCH2255762, FS-3772, H0891, H47480, H67159, H949465, H949467, JK109970, M-5663, OR6840, QA-4039, STK585941, STOCK5S-93855, SY021141, Z56899148, eWS-1702^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=530606)3˙FWd-Ͼ(U@9/|GaC V"@k`<׵C@fGd`A@*̟ŗ MFCD00066156McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=530606Y*LH{,AOKBIO - INSTOCK[[DD̍Wi C10H14N2Oe1\@,W38869-37-3, 56621-48-8ʹu4O}57?8OSA$05968183-816a-4915-a025-4c74b10ad4ec27O1 2.86602497 -3.154999970C2 2.86602497 -2.154999970C3 3.7320509 -1.654999970C4 3.7320509 -0.6549999710C5 2.86602497 -0.1550000010C62 -0.6549999710C72 -1.654999970N8 2.86602497 0.8450000290 C9 3.7320509 1.345000030 C10 3.7320509 2.345000030 N11 2.86602497 2.845000030 C122 2.345000030 C132 1.345000030H14 3.40296102 -3.464999910H15 4.26898718 -1.965000030H16 4.26898718 -0.3449999990H17 1.46306396 -0.3449999990H18 1.46306396 -1.965000030H193.944103 0.7623906140H20 4.34263182 1.452661990H21 4.34263182 2.237338070H223.944103 2.927608970H23 2.86602497 3.464999910H24 1.78794801 2.927608970H25 1.38941896 2.237338070H26 1.38941896 1.452661990H27 1.78794801 0.762390614028                  00261098743210136516171415121123242526181920212791089784734231201013165645516617214315712111210111123112412251226818819920921V570G5ҊUIgxvJ`iAD7452q!:BJS\530606뒣Am`$v nonpreferred'OB@{USDP̑LOYi&Oc1ccc(cc1)N1CCNCC1OSA$05968183-816a-4915-a025-4c74b10ad4ec27O1 2.86602545 -3.154999970C2 2.86602545 -2.154999970C3 3.7320509 -1.654999970C4 3.7320509 -0.6549999710C5 2.86602545 -0.1550000010C62 -0.6549999710C72 -1.654999970N8 2.86602545 0.8450000290C9 3.7320509 1.345000030 C10 3.7320509 2.345000030 N11 2.86602545 2.845000030 C122 2.345000030 C132 1.345000030 H14 3.40296125 -3.464999910H15 4.2689867 -1.965000030H16 4.2689867 -0.3449999690H17 1.46306431 -0.3449999690H18 1.46306419 -1.965000030H19 3.94410348 0.7623906140H20 4.34263182 1.452661870H21 4.34263182 2.237338070H22 3.94410348 2.927609440H23 2.86602545 3.464999910H24 1.78794754 2.927609440H25 1.3894192 2.237338070H26 1.3894192 1.452661870H27 1.78794754 0.762390614028                  0H00000000-0000-0000-0000-000000000000drK3|j  jfm@} O146NƳE?B}=4-(4-Methyl-piperidin-1-yl)-piperidine, 4-(4-Methylpiperidin-1-yl)piperidine, 4-METHYL-[1,4']BIPIPERIDINYL, 4-Methyl-1,4'-bipiperidine, 4-Methyl-[1,4']bipiperidinyl, 4-methyl-1,4'-bipiperidine, 143434, 1714, 3H32-1-Q9, AK305549, AS74117, BAS 04918781, BB51-3096, BBV-073566, F17136, GN42271, OR-5649, OR0887, PS-3231^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=933375)3˙FWd-Ͼ(U@/|GaC V"@k<׵C@fA@*̟ŗ MFCD03274731McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=933375Y*LH{,Activate Scientific[[DD̍Wi C11H22N2e1\@,W 116797-02-5ʹu4O}58?8 *OSA$47c908e6-ae65-4c03-934e-8117200a14ed35C1 2.86602497 3.309999940C2 2.86602497 2.309999940C3 3.7320509 1.809999940C4 3.7320509 0.8100000020N5 2.86602497 0.3100000020C62 0.8100000020C72 1.809999940C8 2.86602497 -0.6899999980 C92 -1.190000060 C102 -2.190000060 N11 2.86602497 -2.690000060 C12 3.7320509 -2.190000060 C13 3.7320509 -1.190000060H14 3.48602509 3.309999940H15 2.86602497 3.930000070H16 2.24602604 3.309999940H17 3.40296102 2.619999890H18 4.34263182 1.702337980H193.944103 2.392608880H203.944103 0.2273906020H21 4.34263182 0.9176617860H22 1.38941896 0.9176617860H23 1.78794801 0.2273906020H24 1.78794801 2.392608880H25 1.38941896 1.702337980H26 3.40296102 -0.3799999950H27 1.78794801 -0.6073905830H28 1.38941896 -1.297662020H29 1.38941896 -2.082338090H30 1.78794801 -2.7726090H31 2.86602497 -3.309999940 H323.944103 -2.7726090!H33 4.34263182 -2.082338090"H34 4.34263182 -1.297662020#H353.944103 -0.607390583036               ! " !# "$003410987432101314156521222324161718192012113132333425262728293591089784734231201013014015165645521522623624116217218319320712111210111131113212331234725826827928929V570G5ҊUIgxvJ`iAS74117q!:BJS\933375뒣Am`$v standard'OB@{USDP̑LOYi&CC1CCN(CC1)C1CCNCC1OSA$47c908e6-ae65-4c03-934e-8117200a14ed35C1 2.86602545 3.309999940C2 2.86602545 2.309999940C3 3.7320509 1.809999940C4 3.7320509 0.8100000020N5 2.86602545 0.3100000020C62 0.8100000020C72 1.809999940C8 2.86602545 -0.6899999980C92 -1.190000060 C102 -2.190000060 N11 2.86602545 -2.690000060 C12 3.7320509 -2.190000060 C13 3.7320509 -1.190000060 H14 3.48602533 3.309999940H15 2.86602545 3.929999830H16 2.24602556 3.309999940H17 3.40296125 2.619999890H18 4.34263182 1.70233810H19 3.94410348 2.392609360H20 3.94410348 0.2273905720H21 4.34263182 0.9176618460H22 1.3894192 0.9176618460H23 1.78794754 0.2273905720H24 1.78794754 2.392609360H25 1.3894192 1.70233810H26 3.40296125 -0.3799999950H27 1.78794754 -0.6073906420H28 1.3894192 -1.29766190H29 1.3894192 -2.082338090H30 1.78794754 -2.772609470H31 2.86602545 -3.309999940H32 3.94410348 -2.772609470 H33 4.34263182 -2.082338090!H34 4.34263182 -1.29766190"H35 3.94410348 -0.607390642036                ! !" "#0H00000000-0000-0000-0000-000000000000sEٷT jfm@} O104NƳE?B}[1'-methyl-1,4'-bipiperidine, 1-methyl-4-(piperidin-1-yl)piperidine, 5513831, IMED644791499^GP~ܛr?!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114470586)3˙FWd-Ͼ(U/|GaC V"<׵C@fA@*̟ŗ MFCD01826432McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114470586Y*LH{, ChemBridge[[DD̍Wi C11H22N2e1\@,Wʹu4O}8V570G5ҊUIxvJ`i5513831q!:BJS\ 114470586뒣Am`$v preferred'OB@{P̑LOYi&CN1CCC(CC1)N1CCCCC14OSA$1d33fbbc-4ab7-4ec1-886f-af56f96a79c735C1 2.86602545-30N2 2.86602545-20C32-1.50C42-0.50C5 2.8660254500C6 3.7320509-0.50C7 3.7320509-1.50N8 2.8660254510C9 3.73205091.50 C10 3.73205092.50 C11 2.8660254530 C1222.50 C1321.50 H14 2.24602556-30H15 2.86602545 -3.619999890H16 3.48602533-30H17 1.3894192 -1.392338160H18 1.78794754 -2.082609420H19 1.78794754 0.082609430H20 1.3894192 -0.6076618430H21 3.40296125 0.3100000020H22 4.34263182 -0.6076618430H23 3.94410348 0.082609430H24 3.94410348 -2.082609420H25 4.34263182 -1.392338160H26 3.94410348 0.9173905850H27 4.34263182 1.607661840H28 4.34263182 2.392338040H29 3.94410348 3.082609420H30 3.26455379 3.474947450H31 2.46749711 3.474947450H32 1.78794754 3.082609420 H33 1.3894192 2.392338040!H34 1.3894192 1.607661840"H35 1.78794754 0.917390585036                 ! !" "#0H00000000-0000-0000-0000-000000000000#\O; jfm@} O503NƳE?B}o1,4'-Bipiperidine, 1,4'-bipiperidine, 1,4??????-Bipiperidine-2,2,3,3,4,4,5,5,6,6-d10, 1-(Piperidin-4-Yl)Piperidine, 1-(piperidin-4-yl)piperidine, 4-(1-Piperidinyl)piperidine, 4-Piperidinopiperidine, 4-Piperidinopiperidine, , tech., 4-Piperindinopiperidine, [1,4']BIPIPERIDINYL, [1,4']Bipiperidinyl, 165425, 16545, 46742, 500007705, 73487, A-12977, AC1406, AGN-PC-07A1RQ, AJP02840, AK-29294, ALBB-005340, AM-1774, AS20665, AX8012405, B12405, B22028, B398962, BB51-3094, BBL004493, BBV-060229, CHH15534, EN300-43686, G311-A-28, JK165425, LN00174046, M-2844, P-0164, P1638, STK503360, SY003124, TS-01462, XS03799, Z1270207913^GP~ܛr?!i_yc@e rhttps://www.emolecules.com/cgi-bin/find?id=482584)3˙FWd-Ͼ(U@9/|GaC V"@<׵C@eA@*̟ŗ MFCD00006475McK}RA thttps://www.emolecules.com/cgi-bin/more?vid=482584Y*LH{,AOKBIO - INSTOCK[[DD̍Wi C10H20N2e1\@,W4897-50-1, 718613-20-8ʹu4O}59?8bOSA$e5352c5a-cae6-4d1e-988c-ff9146f090a632C1 2.86602497 2.809999940C22 2.309999940C32 1.309999940N4 2.86602497 0.8100000020C5 3.7320509 1.309999940C6 3.7320509 2.309999940C7 2.86602497 -0.1899999980C8 3.7320509 -0.6899999980 C9 3.7320509 -1.690000060 N10 2.86602497 -2.190000060 C112 -1.690000060 C122 -0.6899999980 H13 3.26455402 3.284946920H14 2.46749711 3.284946920H15 1.78794801 2.892608880H16 1.38941896 2.202337980H17 1.38941896 1.417662020H18 1.78794801 0.7273905280H193.944103 0.7273905280H20 4.34263182 1.417662020H21 4.34263182 2.202337980H223.944103 2.892608880H23 3.40296102 0.1199999970H24 4.34263182 -0.7976617810H253.944103 -0.1073905970H263.944103 -2.2726090H27 4.34263182 -1.582337980H28 2.86602497 -2.809999940H29 1.38941896 -1.582337980H30 1.78794801 -2.2726090H31 1.78794801 -0.1073905970 H32 1.38941896 -0.797661781033                !00319876321054181920211213141516171110282930312223242526328978673623120105453441841952052101201311411521621761110119101028102911301131622723724825826V570G5ҊUIgxvJ`iAC1406q!:BJS\482584뒣Am`$v nonpreferred'OB@{USDP̑LOYi$C1CCN(CC1)C1CCNCC1 OSA$e5352c5a-cae6-4d1e-988c-ff9146f090a632C1 2.86602545 2.809999940C22 2.309999940C32 1.309999940N4 2.86602545 0.8100000020C5 3.7320509 1.309999940C6 3.7320509 2.309999940C7 2.86602545 -0.1899999980C8 3.7320509 -0.6899999980C9 3.7320509 -1.690000060 N10 2.86602545 -2.190000060 C112 -1.690000060 C122 -0.6899999980 H13 3.26455379 3.28494740 H14 2.46749711 3.28494740H15 1.78794754 2.892609360H16 1.3894192 2.202337980H17 1.3894192 1.417661790H18 1.78794754 0.7273905280H19 3.94410324 0.7273905280H20 4.34263182 1.417661790H21 4.34263182 2.202337980H22 3.94410348 2.892609360H23 3.40296125 0.1200000050H24 4.34263182 -0.7976618410H25 3.94410348 -0.1073905680H26 3.94410348 -2.272609470H27 4.34263182 -1.582338210H28 2.86602545 -2.809999940H29 1.3894192 -1.582338210H30 1.78794754 -2.272609470H31 1.78794754 -0.1073905680H32 1.3894192 -0.797661841033                0H00000000-0000-0000-0000-000000000000]BQkXDl?t jfm@} O1337NƳE?B} 1,4''-BIPIPERIDIN-2-ONE, 1,4'-bipiperidin-2-one, 1-(piperidin-4-yl)piperidin-2-one, [1,4'-Bipiperidin]-2-one, [1,4']BIPIPERIDINYL-2-ONE, [1,4']Bipiperidinyl-2-one, 53910, AK-25172, AX8159679, B159679, BBV-37187712, EN300-147473, LN00246857, OR-9650, PBMR018877, X-2382^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=24707795)3˙FWd-Ͼ(U?/|GaC V"@j<׵C@fjA@*̟ŗ MFCD03411614McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=24707795Y*LH{,%Princeton BioMolecular Research - BB[[DD̍Wi C10H18N2Oe1\@,W 159874-26-7ʹu4O}60?8#OSA$70a4a495-7c85-4dc0-bc11-4254837443fc31O1 4.59807587 0.8100000020C2 3.7320509 1.309999940C3 3.7320509 2.309999940C4 2.86602497 2.809999940C52 2.309999940C62 1.309999940N7 2.86602497 0.8100000020C8 2.86602497 -0.1899999980 C92 -0.6899999980 C102 -1.690000060 N11 2.86602497 -2.190000060 C12 3.7320509 -1.690000060 C13 3.7320509 -0.6899999980H14 4.34263182 2.202337980H153.944103 2.892608880H16 3.26455402 3.284946920H17 2.46749711 3.284946920H18 1.78794801 2.892608880H19 1.38941896 2.202337980H20 1.38941896 1.417662020H21 1.78794801 0.7273905280H22 3.40296102 0.1199999970H23 1.78794801 -0.1073905970H24 1.38941896 -0.7976617810H25 1.38941896 -1.582337980H26 1.78794801 -2.2726090H27 2.86602497 -2.809999940H283.944103 -2.2726090H29 4.34263182 -1.582337980H30 4.34263182 -0.7976617810H313.944103 -0.107390597032                   0030109876543210131415161718192012112728293021222324253191089786756453423120116213214315316417418519520712111210111127112812291230721822823924925V570G5ҊUIgxvJ`i PBMR018877q!:BJS\ 24707795뒣Am`$v nonpreferred'OB@{USDP̑LOYi$O=C1CCCCN1C1CCNCC1OSA$70a4a495-7c85-4dc0-bc11-4254837443fc31O1 4.59807634 0.8100000020C2 3.7320509 1.309999940C3 3.7320509 2.309999940C4 2.86602545 2.809999940C52 2.309999940C62 1.309999940N7 2.86602545 0.8100000020C8 2.86602545 -0.1899999980C92 -0.6899999980 C102 -1.690000060 N11 2.86602545 -2.190000060 C12 3.7320509 -1.690000060 C13 3.7320509 -0.6899999980 H14 4.34263182 2.202337980H15 3.94410348 2.892609360H16 3.26455379 3.28494740H17 2.46749711 3.28494740H18 1.78794754 2.892609360H19 1.3894192 2.202337980H20 1.3894192 1.417661790H21 1.78794754 0.7273905280H22 3.40296125 0.1200000050H23 1.78794754 -0.1073905680H24 1.3894192 -0.7976618410H25 1.3894192 -1.582338210H26 1.78794754 -2.272609470H27 2.86602545 -2.809999940H28 3.94410348 -2.272609470H29 4.34263182 -1.582338210H30 4.34263182 -0.7976618410H31 3.94410348 -0.107390568032                  0H00000000-0000-0000-0000-000000000000GoLxakz jfm@} O1323NƳE?B} BBV-92573677^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=96934771)3˙FWd-Ͼ(U?/|GaC V"@H<׵C@fGA@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=96934771Y*LH{,UORSY BB - Backordered[[DD̍Wi C11H20N2e1\@,Wʹu4O}61?8OSA$890dcc84-34b8-4342-8be1-660a43ae409033N1 2.536936041.250C2 2.536936040.250C3 3.40296102-0.250C4 4.268987180.250C5 4.268987181.250C6 3.402961021.750N7 5.13501215-0.250C8 5.13501215-1.250 C9 6.00103807-1.750 C10 6.86706305-1.250 C11 6.86706305-0.250 C12 6.001038070.250 C13 7.73360014-0.750H142 1.559999940H151.926355 0.3576619030H16 2.32488298 -0.3326093850H17 3.00443292 -0.7249475720H18 3.80149007 -0.7249475720H19 4.26898718 -0.3700000050H20 4.8795681 1.142338040H21 4.48103905 1.832609060H22 3.80149007 2.224946980H23 3.00443292 2.224946980H24 4.52443123 -1.142338040H25 4.9229598 -1.832609060H26 5.60250902 -2.224947930H27 6.39956617 -2.224946980H28 7.17699385 -1.786975030H29 7.17699385 0.2869754140H30 6.39956617 0.7249475120H31 5.60250902 0.7249475720 H32 8.13208771 -1.224982020!H33 8.13208771 -0.275018513035                ! " #003201234521221920678910112930123132282725262324181617141534011223344505521522419420366778899101011611112911301012912123112321028927825826723724318216217114115V570G5ҊUIgxvJ`i BBV-92573677q!:BJS\ 96934771뒣Am`$v nonpreferred'OB@{USDP̑LOYi.N1CCC(CC1)N1CCC2C(C1)C2OSA$890dcc84-34b8-4342-8be1-660a43ae409033N1 2.536935811.250C2 2.536935810.250C3 3.40296125-0.250C4 4.26898670.250C5 4.26898671.250C6 3.402961251.750N7 5.13501215-0.250C8 5.13501215-1.250C9 6.0010376-1.750 C10 6.86706257-1.250 C11 6.86706257-0.250 C12 6.00103760.250 C13 7.73359966-0.750 H142 1.559999940H151.926355 0.3576618730H16 2.32488322 -0.3326094150H17 3.00443292 -0.7249475720H18 3.80148959 -0.7249475720H19 4.2689867 -0.3700000050H20 4.87956762 1.142338160H21 4.48103905 1.832609420H22 3.80148959 2.224947450H23 3.00443292 2.224947450H24 4.52443123 -1.142338160H25 4.9229598 -1.832609420H26 5.6025095 -2.224947690H27 6.39956617 -2.224947450H28 7.17699385 -1.786975380H29 7.17699385 0.2869753540H30 6.39956617 0.7249475120H31 5.6025095 0.7249475720H32 8.13208771 -1.224981550 H33 8.13208771 -0.275018483035                 ! "0H00000000-0000-0000-0000-000000000000A ԥCv2! jfm@} O1420NƳE?B}E[1,4'-BIPIPERIDIN]-4-ONE, [1,4'-Bipiperidin]-4-one, AK339882, F50392^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=71010496)3˙FWd-Ͼ(U?/|GaC V"@zp<׵C@fjA@*̟ŗ MFCD26701496McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=71010496Y*LH{,Ark Pharm - China Backordered[[DD̍Wi C10H18N2Oe1\@,W 1512132-07-8ʹu4O}62?8"OSA$3de7e6db-fa48-47be-936e-39491d0d349c31O1 2.86602497 3.309999940C2 2.86602497 2.309999940C3 3.7320509 1.809999940C4 3.7320509 0.8100000020N5 2.86602497 0.3100000020C62 0.8100000020C72 1.809999940C8 2.86602497 -0.6899999980 C92 -1.190000060 C102 -2.190000060 N11 2.86602497 -2.690000060 C12 3.7320509 -2.190000060 C13 3.7320509 -1.190000060H14 4.34263182 1.702337980H153.944103 2.392608880H163.944103 0.2273906020H17 4.34263182 0.9176617860H18 1.38941896 0.9176617860H19 1.78794801 0.2273906020H20 1.78794801 2.392608880H21 1.38941896 1.702337980H22 3.40296102 -0.3799999950H23 1.78794801 -0.6073905830H24 1.38941896 -1.297662020H25 1.38941896 -2.082338090H26 1.78794801 -2.7726090H27 2.86602497 -3.309999940H283.944103 -2.7726090H29 4.34263182 -2.082338090H30 4.34263182 -1.297662020H313.944103 -0.607390583032                   0030109874321065171819201314151612112728293021222324253191089784734231201165645517518619620213214315316712111210111127112812291230721822823924925V570G5ҊUIgxvJ`i AK339882q!:BJS\ 71010496뒣Am`$v preferred'OB@{USDP̑LOYi(O=C1CCN(CC1)C1CCNCC1OSA$3de7e6db-fa48-47be-936e-39491d0d349c31O1 2.86602545 3.309999940C2 2.86602545 2.309999940C3 3.7320509 1.809999940C4 3.7320509 0.8100000020N5 2.86602545 0.3100000020C62 0.8100000020C72 1.809999940C8 2.86602545 -0.6899999980C92 -1.190000060 C102 -2.190000060 N11 2.86602545 -2.690000060 C12 3.7320509 -2.190000060 C13 3.7320509 -1.190000060 H14 4.34263182 1.70233810H15 3.94410348 2.392609360H16 3.94410348 0.2273905720H17 4.34263182 0.9176618460H18 1.3894192 0.9176618460H19 1.78794754 0.2273905720H20 1.78794754 2.392609360H21 1.3894192 1.70233810H22 3.40296125 -0.3799999950H23 1.78794754 -0.6073906420H24 1.3894192 -1.29766190H25 1.3894192 -2.082338090H26 1.78794754 -2.772609470H27 2.86602545 -3.309999940H28 3.94410348 -2.772609470H29 4.34263182 -2.082338090H30 4.34263182 -1.29766190H31 3.94410348 -0.607390642032                  0H00000000-0000-0000-0000-000000000000~REȴ9 . jfm@} ONƳE?B}91,4'-Bipiperidine-2,2,3,3,4,4,5,5,6,6-d10, AGN-PC-0TZGVZ^GP~ܛr!i_yc@e )3˙FWd-Ͼ(U/|GaC V"<׵C@fJA@*̟ŗMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=27517060Y*LH{,[[DD̍Wi C10H10D10N2e1\@,W 718613-20-8ʹu4O}63?8OSA$2be358ac-74e6-4345-b6bc-59051994132a32C1 3.48602509 2.541532040D2 3.79602599 3.078468080D3 3.17602491 3.078468080C4 4.35205078 2.041532040D5 4.6620512 2.578468080D6 4.97205114 2.041532040C7 4.35205078 1.041532040D8 4.6620512 0.5045964120 D9 4.97205114 1.041532040 N10 3.48602509 0.5415320990 C11 2.61999989 1.041532040 C12 2.61999989 2.041532040 D13 2.30999994 2.578468080D142 2.041532040D15 2.30999994 0.5045964120D162 1.041532040C17 3.48602509 -0.4584679010C18 2.61999989 -0.9584679010C19 2.61999989 -1.958467960N20 3.48602509 -2.458467960C21 4.35205078 -1.958467960C22 4.35205078 -0.9584679010H23 4.02296114 -0.1484678980H24 2.40794706 -0.3758584860H25 2.00941896 -1.066130040H26 2.00941896 -1.8508060H27 2.40794706 -2.54107690H28 3.48602509 -3.078468080H29 4.56410313 -2.54107690H30 4.96263218 -1.8508060H31 4.96263218 -1.066130040 H32 4.56410313 -0.375858486033              !003119181716963012111014151213457821202829303122232425263218191718161791669360301020111011910101410151112111334356768162120211920202820292130213116221723172418251826V570G5ҊUIxvJ`iq!:BJS\ 27517060뒣Am`$v'OB@{P̑LOYiC1([2H])([2H])C([2H])([2H])C([2H])([2H])N(C(C1([2H])[2H])([2H])[2H])C1CCNCC1OSA$2be358ac-74e6-4345-b6bc-59051994132a32C1 3.48602533 2.541532040D2 3.79602551 3.078467850D3 3.17602539 3.078467850C4 4.35205078 2.041532040D5 4.66205072 2.578467850D6 4.97205067 2.041532040C7 4.35205078 1.041532160D8 4.66205072 0.5045963530D9 4.97205067 1.041532160 N10 3.48602533 0.5415320990 C11 2.61999989 1.041532160 C12 2.61999989 2.041532040 D13 2.30999994 2.578467850 D142 2.041532040D15 2.30999994 0.5045963530D162 1.041532160C17 3.48602533 -0.4584678710C18 2.61999989 -0.9584679010C19 2.61999989 -1.958467840N20 3.48602533 -2.458467960C21 4.35205078 -1.958467840C22 4.35205078 -0.9584679010H23 4.02296114 -0.1484678690H24 2.4079473 -0.3758584860H25 2.00941896 -1.06612980H26 2.00941896 -1.8508060H27 2.4079473 -2.541077140H28 3.48602533 -3.078467850H29 4.56410313 -2.541077140H30 4.9626317 -1.8508060H31 4.9626317 -1.06612980H32 4.56410313 -0.375858486033             0H00000000-0000-0000-0000-000000000000#AGbpT? jfm@} O1296NƳE?B}?2-methyl-1-(piperidin-4-yl)piperidine, BBV-087132, EN300-45086^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37410268)3˙FWd-Ͼ(U@Y/|GaC V"@i`<׵C@fA@*̟ŗ MFCD09949200McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37410268Y*LH{,Enamine BB - UA Backorder[[DD̍Wi C11H22N2e1\@,W 749860-69-3ʹu4O}64?8 -OSA$51698259-b6ac-4a77-b224-edfcf7a916eb35C1 4.59807587 0.8100000020C2 3.7320509 1.309999940C3 3.7320509 2.309999940C4 2.86602497 2.809999940C52 2.309999940C62 1.309999940N7 2.86602497 0.8100000020C8 2.86602497 -0.1899999980 C92 -0.6899999980 C102 -1.690000060 N11 2.86602497 -2.190000060 C12 3.7320509 -1.690000060 C13 3.7320509 -0.6899999980H14 4.28807592 0.2730641960H15 5.13501215 0.5000001190H16 4.90807581 1.346935990H17 3.7320509 0.6899998780H18 4.34263182 2.202337980H193.944103 2.892608880H20 3.26455402 3.284946920H21 2.46749711 3.284946920H22 1.78794801 2.892608880H23 1.38941896 2.202337980H24 1.38941896 1.417662020H25 1.78794801 0.7273905280H26 3.40296102 0.1199999970H27 1.78794801 -0.1073905970H28 1.38941896 -0.7976617810H29 1.38941896 -1.582337980H30 1.78794801 -2.2726090H31 2.86602497 -2.809999940 H323.944103 -2.2726090!H33 4.34263182 -1.582337980"H34 4.34263182 -0.7976617810#H353.944103 -0.107390597036               ! " !# "$003410987654321013141516171819202122232412113132333425262728293591089786756453423120101301401516116217218319320421422523524712111210111131113212331234725826827928929V570G5ҊUImgxvJ`i EN300-45086q!:BJS\ 37410268뒣Am`$v preferred'OB@{USDP̑LOYi"CC1CCCCN1C1CCNCC1OSA$51698259-b6ac-4a77-b224-edfcf7a916eb35C1 4.59807634 0.8100000020C2 3.7320509 1.309999940C3 3.7320509 2.309999940C4 2.86602545 2.809999940C52 2.309999940C62 1.309999940N7 2.86602545 0.8100000020C8 2.86602545 -0.1899999980C92 -0.6899999980 C102 -1.690000060 N11 2.86602545 -2.190000060 C12 3.7320509 -1.690000060 C13 3.7320509 -0.6899999980 H14 4.2880764 0.2730642260H15 5.13501215 0.500000060H16 4.90807629 1.346935750H17 3.7320509 0.6899999380H18 4.34263182 2.202337980H19 3.94410348 2.892609360H20 3.26455379 3.28494740H21 2.46749711 3.28494740H22 1.78794754 2.892609360H23 1.3894192 2.202337980H24 1.3894192 1.417661790H25 1.78794754 0.7273905280H26 3.40296125 0.1200000050H27 1.78794754 -0.1073905680H28 1.3894192 -0.7976618410H29 1.3894192 -1.582338210H30 1.78794754 -2.272609470H31 2.86602545 -2.809999940H32 3.94410348 -2.272609470 H33 4.34263182 -1.582338210!H34 4.34263182 -0.7976618410"H35 3.94410348 -0.107390568036                ! !" "#0H00000000-0000-0000-0000-000000000000PKEZwvf jfm@} O564NƳE?B}1,4'-bipiperidin-3-ylmethanol, [1,4'-Bipiperidin]-3-ylmethanol, [1,4']Bipiperidinyl-3-Yl-Methanol, 4100010, 500019397, AK481003^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=15212368)3˙FWd-Ͼ(U?/|GaC V"@i<׵C@h€A@*̟ŗ MFCD05864537McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=15212368Y*LH{,Frontier Scientific Services[[DD̍Wi C11H22N2Oe1\@,W 749860-71-7ʹu4O}65?8 OSA$f9f2e20d-0c73-4f8e-bddb-183a767b713e36O1 2.53693604 3.154999970C2 2.53693604 2.154999970C3 3.40296102 1.654999970C4 4.26898718 2.154999970C5 5.13501215 1.654999970C6 5.13501215 0.6549999710N7 4.26898718 0.1550000010C8 3.40296102 0.6549999710 C9 4.26898718 -0.8450000290 C10 3.40296102 -1.345000030 C11 3.40296102 -2.345000030 N12 4.26898718 -2.845000030 C13 5.13501215 -2.345000030C14 5.13501215 -1.345000030H152 3.464999910H161.926355 2.262661930H17 2.32488298 1.572391030H18 3.40296102 2.27500010H19 4.6675148 2.629946950H20 3.87045789 2.629946950H21 5.74559307 1.547338010H22 5.34706402 2.237608910H23 5.34706402 0.07239054140H24 5.74559307 0.7626618150H25 2.79238009 0.7626618150H26 3.19090891 0.07239054140H27 4.80592299 -0.5350000260H28 3.19090891 -0.7623906140H29 2.79238009 -1.452661990H30 2.79238009 -2.237338070H31 3.19090891 -2.927608970 H32 4.26898718 -3.464999910!H33 5.34706402 -2.927608970"H34 5.74559307 -2.237338070#H35 5.74559307 -1.452661990$H36 5.34706402 -0.762390614037                ! " !# "$ #%00351110986543210141516724251718192021222313123233343526272829303610119108968564534231201014115116276772472521731831942042152252381312131112123212331334133582692792810291030V570G5ҊUIgxvJ`i 500019397q!:BJS\ 15212368뒣Am`$v nonpreferred'OB@{USDP̑LOYi(OCC1CCCN(C1)C1CCNCC1OSA$f9f2e20d-0c73-4f8e-bddb-183a767b713e36O1 2.53693581 3.154999970C2 2.53693581 2.154999970C3 3.40296125 1.654999970C4 4.2689867 2.154999970C5 5.13501215 1.654999970C6 5.13501215 0.6549999710N7 4.2689867 0.1550000010C8 3.40296125 0.6549999710C9 4.2689867 -0.8450000290 C10 3.40296125 -1.345000030 C11 3.40296125 -2.345000030 N12 4.2689867 -2.845000030 C13 5.13501215 -2.345000030 C14 5.13501215 -1.345000030H152 3.464999910H161.926355 2.262661930H17 2.32488322 1.572390560H18 3.40296125 2.274999860H19 4.6675148 2.629947420H20 3.87045836 2.629947420H21 5.74559307 1.547338130H22 5.3470645 2.237609390H23 5.3470645 0.07239054140H24 5.74559307 0.7626618150H25 2.79238033 0.7626618150H26 3.19090867 0.07239054140H27 4.80592251 -0.5350000260H28 3.19090867 -0.7623906140H29 2.79238033 -1.452661870H30 2.79238033 -2.237338070H31 3.19090867 -2.927609440H32 4.2689867 -3.464999910 H33 5.3470645 -2.927609440!H34 5.74559307 -2.237338070"H35 5.74559307 -1.452661870#H36 5.3470645 -0.762390614037                 ! !" "# #$0H00000000-0000-0000-0000-000000000000?wENF$ʯv jfm@} O1312NƳE?B}?1-{3-hydroxy-[1,4'-bipiperidine]-1'-yl}ethan-1-one, F6541-0792^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=104445692)3˙FWd-Ͼ(U@o@/|GaC V"@h<׵C@lJA@*̟ŗ MFCD28115989McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=104445692Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H22N2O2e1\@,Wʹu4O}8V570G5ҊUImgxvJ`i F6541-0792q!:BJS\ 104445692뒣Am`$v preferred'OB@{USDP̑LOYi6OC1CCCN(C1)C1CCN(CC1)C(=O)CFOSA$d12f5b1d-e3a4-4876-89ae-84f80ba3ce2338O1 4.59807634 2.940000060C2 3.7320509 2.440000060C3 2.86602545 2.940000060C42 2.440000060C52 1.440000060N6 2.86602545 0.9399999980C7 3.7320509 1.440000060C8 2.86602545 -0.05999999870C9 3.7320509 -0.5600000020 C10 3.7320509 -1.559999940 N11 2.86602545 -2.059999940 C122 -1.559999940 C132 -0.5600000020 C14 2.86602545 -3.059999940O15 3.7320509 -3.559999940C162 -3.559999940H17 4.59807634 3.559999940H18 3.7320509 3.059999940H19 3.26455379 3.414947510H20 2.46749711 3.414947510H21 1.78794754 3.022609470H22 1.3894192 2.332338090H23 1.3894192 1.54766190H24 1.78794754 0.8573906420H25 3.94410348 0.8573906420H26 4.34263182 1.54766190H27 3.402961250.250H28 4.34263182 -0.6676618460H29 3.94410348 0.02260942570H30 3.94410348 -2.142609360H31 4.34263182 -1.45233810H32 1.3894192 -1.45233810 H33 1.78794754 -2.142609360!H34 1.78794754 0.02260942570"H35 1.3894192 -0.6676618460#H36 1.69000006 -3.023064140$H37 1.46306419 -3.869999890%H38 2.30999994 -4.09693575039                 ! !" "##$$%%&0H00000000-0000-0000-0000-000000000000n{HhIB jfm@} O1312NƳE?B}?1-{4-hydroxy-[1,4'-bipiperidine]-1'-yl}ethan-1-one, F1908-3150^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=104420127)3˙FWd-Ͼ(U@o@/|GaC V"@h<׵C@lJA@*̟ŗ MFCD28115988McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=104420127Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H22N2O2e1\@,Wʹu4O}8V570G5ҊUImgxvJ`i F1908-3150q!:BJS\ 104420127뒣Am`$v preferred'OB@{USDP̑LOYi6OC1CCN(CC1)C1CCN(CC1)C(=O)CPOSA$0545b3cc-0df1-499d-9114-aff481ffbbbb38O1 2.86602545 3.595000030C2 2.86602545 2.595000030C32 2.095000030C42 1.095000030N5 2.86602545 0.5950000290C6 3.7320509 1.095000030C7 3.7320509 2.095000030C8 2.86602545 -0.4050000010C9 3.7320509 -0.9049999710 C10 3.7320509 -1.904999970 N11 2.86602545 -2.404999970 C122 -1.904999970 C132 -0.9049999710 C14 2.86602545 -3.404999970O152 -3.904999970C16 3.7320509 -3.904999970H17 2.32908964 3.904999970H18 3.40296125 2.904999970H19 1.78794754 2.677609440H20 1.3894192 1.987338190H21 1.3894192 1.202661870H22 1.78794754 0.5123906140H23 3.94410348 0.5123906140H24 4.34263182 1.202661870H25 4.34263182 1.987338190H26 3.94410348 2.677609440H27 3.40296125 -0.09499999140H28 4.34263182 -1.012661810H29 3.94410348 -0.3223905270H30 3.94410348 -2.487609390H31 4.34263182 -1.797338130H32 1.3894192 -1.797338130 H33 1.78794754 -2.487609390!H34 1.78794754 -0.3223905270"H35 1.3894192 -1.012661810#H36 3.42205095 -4.441935540$H37 4.2689867 -4.215000150%H38 4.04205084 -3.36806417039                 ! !" "##$$%%&0H00000000-0000-0000-0000-000000000000mK[b jfm@} O1312NƳE?B}/2-(ethoxymethyl)-1,4'-bipiperidine, F1907-5292^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70095973)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@lKtA@*̟ŗ MFCD29995840McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70095973Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C13H26N2Oe1\@,Wʹu4O}66?8 %OSA$b71908bf-6dac-45fd-823d-966c25056cd042C12 1.309999940C2 2.86602497 0.8100000020O3 3.7320509 1.309999940C4 4.59807587 0.8100000020C5 5.46410179 1.309999940C6 5.46410179 2.309999940C7 6.33012676 2.809999940C8 7.19615221 2.309999940 C9 7.19615221 1.309999940 N10 6.33012676 0.8100000020 C11 6.33012676 -0.1899999980 C12 5.46410179 -0.6899999980 C13 5.46410179 -1.690000060N14 6.33012676 -2.190000060C15 7.19615221 -1.690000060C16 7.19615221 -0.6899999980H17 2.30999994 1.846935990H18 1.463063961.620H19 1.69000006 0.7730641960H20 2.46749711 0.3350524010H21 3.26455402 0.3350524010H22 4.19954777 0.3350524010H23 4.99660397 0.3350524010H24 5.46410179 0.6899998780H25 5.25204897 2.892608880H26 4.85352087 2.202337980H27 6.72865582 3.284946920H28 5.93159914 3.284948110H29 7.80673313 2.202337980H30 7.40820503 2.892608880H31 7.40820503 0.7273905280 H32 7.80673313 1.417662020!H33 6.86706305 0.11999990"H34 5.25204897 -0.1073905970#H35 4.85352087 -0.7976617810$H36 4.85352087 -1.582337980%H37 5.25204897 -2.2726090&H38 6.33012676 -2.809999940'H39 7.40820503 -2.2726090(H40 7.80673313 -1.582337980)H41 7.80673313 -0.7976619010*H42 7.40820503 -0.107390597043             ! " !# "$ #% $& %'&(')(*)+00411312111098765432101617181920212223242526272829303115143839404132333435364212131112101191089786756453423120101601701811912032132249423524525626627728729830831101514151314143814391540154110321133113412351236V570G5ҊUImgxvJ`i F1907-5292q!:BJS\ 70095973뒣Am`$v preferred'OB@{USDP̑LOYi(CCOCC1CCCCN1C1CCNCC1 ZOSA$b71908bf-6dac-45fd-823d-966c25056cd042C12 1.309999940C2 2.86602545 0.8100000020O3 3.7320509 1.309999940C4 4.59807634 0.8100000020C5 5.46410179 1.309999940C6 5.46410179 2.309999940C7 6.33012724 2.809999940C8 7.19615221 2.309999940C9 7.19615221 1.309999940 N10 6.33012724 0.8100000020 C11 6.33012724 -0.1899999980 C12 5.46410179 -0.6899999980 C13 5.46410179 -1.690000060 N14 6.33012724 -2.190000060C15 7.19615221 -1.690000060C16 7.19615221 -0.6899999980H17 2.30999994 1.846935750H18 1.46306419 1.619999890H19 1.69000006 0.7730641960H20 2.46749711 0.3350524310H21 3.26455379 0.3350524310H22 4.19954824 0.3350524310H23 4.99660444 0.3350524310H24 5.46410179 0.6899999380H25 5.25204945 2.892609360H26 4.85352087 2.202337980H27 6.72865582 3.28494740H28 5.93159914 3.284947630H29 7.80673313 2.202337980H30 7.40820456 2.892609360H31 7.40820456 0.7273905280H32 7.80673313 1.417661910 H33 6.86706305 0.1199999450!H34 5.25204945 -0.1073905680"H35 4.85352087 -0.7976618410#H36 4.85352087 -1.582338210$H37 5.25204945 -2.272609470%H38 6.33012724 -2.809999940&H39 7.40820456 -2.272609470'H40 7.80673313 -1.582338090(H41 7.80673313 -0.7976619010)H42 7.40820456 -0.107390605043             ! !" "# #$ $% %&&''(())*0H00000000-0000-0000-0000-000000000000&\ITA jfm@} O1312NƳE?B}94-(methoxymethyl)-4-methyl-1,4'-bipiperidine, F1907-6989^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70099336)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@lKtA@*̟ŗ MFCD29997487McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70099336Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C13H26N2Oe1\@,Wʹu4O}67?8 OSA$89e4a9ba-c16b-40ec-a21a-f725a560e95642C12 3.676024910O22.5 2.809999940C33.5 2.809999940C44 1.943974970C54.5 2.809999940C6 4.86602497 1.443974970C7 4.86602497 0.4439746140N84 -0.05602540080 C9 3.13397503 0.4439746140 C10 3.13397503 1.443974970 C114 -1.056025030 C12 3.13397503 -1.556025030 C13 3.13397503 -2.556025980N144 -3.056025980C15 4.86602497 -2.556025980C16 4.86602497 -1.556025030H17 2.53693604 3.986025090H18 1.69000006 4.21296120H19 1.46306396 3.366024970H20 4.082610133.0220530H21 3.39233804 3.42058110H22 5.036935812.50H23 4.80999994 3.346935990H24 3.96306396 3.119999890H25 5.47660589 1.336313010H26 5.07807779 2.026583910H27 5.07807779 -0.1386348010H28 5.47660589 0.5516365170H29 2.52339411 0.5516365170H30 2.92192197 -0.1386348010H31 2.92192197 2.026583910 H32 2.52339411 1.336313010!H33 4.53693581 -0.7460253830"H34 2.92192197 -0.9734159710#H35 2.52339411 -1.663686990$H36 2.52339411 -2.448364020%H37 2.92192197 -3.138634920&H384 -3.676024910'H39 5.07807779 -3.138634920(H40 5.47660589 -2.448364020)H41 5.47660589 -1.663686990*H42 5.07807779 -0.973415971043              ! " !# "$ #% $& %'&(')(*)+00411312111076532101617181920421222398282930312425262715143839404132333435364212131112101171067563523120101601701821922034421422423398978828829930931524525626627101514151314143814391540154110321133113412351236V570G5ҊUImgxvJ`i F1907-6989q!:BJS\ 70099336뒣Am`$v preferred'OB@{USDP̑LOYi0COCC1(C)CCN(CC1)C1CCNCC1 OSA$89e4a9ba-c16b-40ec-a21a-f725a560e95642C12 3.676025390O22.5 2.809999940C33.5 2.809999940C44 1.943974610C54.5 2.809999940C6 4.86602545 1.443974610C7 4.86602545 0.4439745840N84 -0.05602540450C9 3.13397455 0.4439745840 C10 3.13397455 1.443974610 C114 -1.056025390 C12 3.13397455 -1.556025390 C13 3.13397455 -2.556025510 N144 -3.056025510C15 4.86602545 -2.556025510C16 4.86602545 -1.556025390H17 2.53693581 3.986025330H18 1.69000006 4.21296120H19 1.46306419 3.366025450H20 4.08260965 3.022052530H21 3.39233804 3.420580860H22 5.036935812.50H23 4.80999994 3.346935750H24 3.96306419 3.119999890H25 5.47660637 1.336312770H26 5.07807779 2.026584150H27 5.07807779 -0.1386348460H28 5.47660637 0.5516364570H29 2.52339363 0.5516364570H30 2.92192197 -0.1386348460H31 2.92192197 2.026584150H32 2.52339363 1.336312770 H33 4.53693581 -0.7460253830!H34 2.92192197 -0.9734159710"H35 2.52339363 -1.663687230#H36 2.52339363 -2.448363540$H37 2.92192197 -3.138634920%H384 -3.676025390&H39 5.07807779 -3.138634920'H40 5.47660637 -2.448363540(H41 5.47660637 -1.663687230)H42 5.07807779 -0.973415971043               ! !" "# #$ $% %&&''(())*0H00000000-0000-0000-0000-000000000000VunK4NE jfm@} O1312NƳE?B}14-(2-methoxyethyl)-1,4'-bipiperidine, F1907-5325^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70096037)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@lKtA@*̟ŗ MFCD29995871McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70096037Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C13H26N2Oe1\@,Wʹu4O}68?8 OSA$013baeff-004a-4c39-907b-f7f0a823811b42C12 4.309999940O2 2.86602497 3.809999940C3 2.86602497 2.809999940C4 3.7320509 2.309999940C5 3.7320509 1.309999940C6 4.59807587 0.8100000020C7 4.59807587 -0.1899999980N8 3.7320509 -0.6899999980 C9 2.86602497 -0.1899999980 C10 2.86602497 0.8100000020 C11 3.7320509 -1.690000060 C12 2.86602497 -2.190000060 C13 2.86602497 -3.190000060N14 3.7320509 -3.690000060C15 4.59807587 -3.190000060C16 4.59807587 -2.190000060H17 2.30999994 4.846936230H18 1.46306396 4.619999890H19 1.69000006 3.77306390H202.255445 2.917661910H21 2.65397312.2273910H22 4.34263182 2.202337980H233.944103 2.892608880H24 4.268987181.620H25 5.20865679 0.7023382190H26 4.810129171.3926090H27 4.81012917 -0.7726094130H28 5.20865679 -0.0823381320H292.255445 -0.0823381320H30 2.6539731 -0.7726094130H31 2.65397311.3926090 H322.255445 0.7023382190!H33 4.26898718-1.380"H34 2.6539731 -1.6073910#H352.255445 -2.297662020$H362.255445 -3.082338090%H37 2.6539731 -3.7726090&H38 3.7320509 -4.309999940'H39 4.81012917 -3.7726090(H40 5.20865679 -3.082338090)H41 5.20865679 -2.297662020*H42 4.81012917 -1.607391043              ! " !# "$ #% $& %'&(')(*)+00411312111076543210161718192021229828293031232425262715143839404132333435364212131112101171067564534231201016017018219220321322498978828829930931423524525626627101514151314143814391540154110321133113412351236V570G5ҊUImgxvJ`i F1907-5325q!:BJS\ 70096037뒣Am`$v preferred'OB@{USDP̑LOYi,COCCC1CCN(CC1)C1CCNCC1 HOSA$013baeff-004a-4c39-907b-f7f0a823811b42C12 4.309999940O2 2.86602545 3.809999940C3 2.86602545 2.809999940C4 3.7320509 2.309999940C5 3.7320509 1.309999940C6 4.59807634 0.8100000020C7 4.59807634 -0.1899999980N8 3.7320509 -0.6899999980C9 2.86602545 -0.1899999980 C10 2.86602545 0.8100000020 C11 3.7320509 -1.690000060 C12 2.86602545 -2.190000060 C13 2.86602545 -3.190000060 N14 3.7320509 -3.690000060C15 4.59807634 -3.190000060C16 4.59807634 -2.190000060H17 2.30999994 4.846935750H18 1.46306419 4.619999890H19 1.69000006 3.773064140H20 2.25544453 2.917661910H21 2.65397286 2.227390530H22 4.34263182 2.202337980H23 3.94410348 2.892609360H24 4.26898671.620H25 5.20865726 0.7023381590H26 4.81012869 1.392609480H27 4.81012869 -0.7726094130H28 5.20865726 -0.0823381320H29 2.25544453 -0.0823381320H30 2.65397286 -0.7726094130H31 2.6539731 1.392609480H32 2.25544453 0.7023381590 H33 4.2689867-1.380!H34 2.65397286 -1.607390640"H35 2.25544453 -2.297662020#H36 2.25544453 -3.082338090$H37 2.65397286 -3.772609470%H38 3.7320509 -4.309999940&H39 4.81012869 -3.772609470'H40 5.20865726 -3.082338090(H41 5.20865726 -2.297662020)H42 4.81012869 -1.60739064043               ! !" "# #$ $% %&&''(())*0H00000000-0000-0000-0000-000000000000CJ=2mp jfm@} O1312NƳE?B}/4-(ethoxymethyl)-1,4'-bipiperidine, F1907-5058^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70095526)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@lKtA@*̟ŗ MFCD29995607McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70095526Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C13H26N2Oe1\@,Wʹu4O}69?8 OSA$566dd0ec-c1c4-4f63-b788-9ded67255d7642C12 4.309999940C2 2.86602497 3.809999940O3 2.86602497 2.809999940C4 3.7320509 2.309999940C5 3.7320509 1.309999940C6 4.59807587 0.8100000020C7 4.59807587 -0.1899999980N8 3.7320509 -0.6899999980 C9 2.86602497 -0.1899999980 C10 2.86602497 0.8100000020 C11 3.7320509 -1.690000060 C12 2.86602497 -2.190000060 C13 2.86602497 -3.190000060N14 3.7320509 -3.690000060C15 4.59807587 -3.190000060C16 4.59807587 -2.190000060H17 2.30999994 4.846936230H18 1.46306396 4.619999890H19 1.69000006 3.77306390H20 3.47660589 3.702337980H21 3.07807803 4.392610070H22 4.34263182 2.202337980H233.944103 2.892608880H24 4.268987181.620H25 5.20865679 0.7023382190H26 4.810129171.3926090H27 4.81012917 -0.7726094130H28 5.20865679 -0.0823381320H292.255445 -0.0823381320H30 2.6539731 -0.7726094130H31 2.65397311.3926090 H322.255445 0.7023382190!H33 4.26898718-1.380"H34 2.6539731 -1.6073910#H352.255445 -2.297662020$H362.255445 -3.082338090%H37 2.6539731 -3.7726090&H38 3.7320509 -4.309999940'H39 4.81012917 -3.7726090(H40 5.20865679 -3.082338090)H41 5.20865679 -2.297662020*H42 4.81012917 -1.607391043              ! " !# "$ #% $& %'&(')(*)+00411312111076543210161718192021229828293031232425262715143839404132333435364212131112101171067564534231201016017018119120321322498978828829930931423524525626627101514151314143814391540154110321133113412351236V570G5ҊUImgxvJ`i F1907-5058q!:BJS\ 70095526뒣Am`$v preferred'OB@{USDP̑LOYi,CCOCC1CCN(CC1)C1CCNCC1 GOSA$566dd0ec-c1c4-4f63-b788-9ded67255d7642C12 4.309999940C2 2.86602545 3.809999940O3 2.86602545 2.809999940C4 3.7320509 2.309999940C5 3.7320509 1.309999940C6 4.59807634 0.8100000020C7 4.59807634 -0.1899999980N8 3.7320509 -0.6899999980C9 2.86602545 -0.1899999980 C10 2.86602545 0.8100000020 C11 3.7320509 -1.690000060 C12 2.86602545 -2.190000060 C13 2.86602545 -3.190000060 N14 3.7320509 -3.690000060C15 4.59807634 -3.190000060C16 4.59807634 -2.190000060H17 2.30999994 4.846935750H18 1.46306419 4.619999890H19 1.69000006 3.773064140H20 3.47660637 3.702337980H21 3.07807803 4.39260960H22 4.34263182 2.202337980H23 3.94410348 2.892609360H24 4.26898671.620H25 5.20865726 0.7023381590H26 4.81012869 1.392609480H27 4.81012869 -0.7726094130H28 5.20865726 -0.0823381320H29 2.25544453 -0.0823381320H30 2.65397286 -0.7726094130H31 2.6539731 1.392609480H32 2.25544453 0.7023381590 H33 4.2689867-1.380!H34 2.65397286 -1.607390640"H35 2.25544453 -2.297662020#H36 2.25544453 -3.082338090$H37 2.65397286 -3.772609470%H38 3.7320509 -4.309999940&H39 4.81012869 -3.772609470'H40 5.20865726 -3.082338090(H41 5.20865726 -2.297662020)H42 4.81012869 -1.60739064043               ! !" "# #$ $% %&&''(())*0H00000000-0000-0000-0000-000000000000}JDv] jfm@} O1312NƳE?B}/3-(ethoxymethyl)-1,4'-bipiperidine, F1907-5120^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70095638)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@lKtA@*̟ŗ MFCD29995669McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70095638Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C13H26N2Oe1\@,Wʹu4O}70?8 OSA$3961e292-ad3a-4ad8-8ab9-a88956d436eb42C12 4.059999940C22 3.059999940O3 2.86602497 2.559999940C4 2.86602497 1.559999940C5 3.7320509 1.059999940C6 4.59807587 1.559999940C7 5.46410179 1.059999940C8 5.46410179 0.05999999870 N9 4.59807587 -0.4399999980 C10 3.7320509 0.05999999870 C11 4.59807587 -1.440000060 C12 3.7320509 -1.940000060 C13 3.7320509 -2.940000060N14 4.59807587 -3.440000060C15 5.46410179 -2.940000060C16 5.46410179 -1.940000060H17 2.61999989 4.059999940H182 4.679999830H191.38 4.059999940H20 1.38941896 3.167661910H21 1.787948012.4773910H222.255445 1.667662020H23 2.6539731 0.9773905280H24 3.7320509 1.679999950H25 4.99660397 2.034946920H26 4.19954777 2.034946920H27 6.07468319 0.9523380990H28 5.676154141.6426090H29 5.67615414 -0.5226094130H30 6.07468319 0.1676619050H31 3.12146997 0.1676619050 H32 3.51999807 -0.5226094130!H33 5.13501215-1.130"H34 3.51999807 -1.3573910#H35 3.12146997 -2.047662020$H36 3.12146997 -2.832338090%H37 3.51999807 -3.5226090&H38 4.59807587 -4.059999940'H39 5.67615414 -3.5226090(H40 6.07468319 -2.832338090)H41 6.07468319 -2.047662020*H42 5.67615414 -1.357391043              ! " !# "$ #% $& %'&(')(*)+00411312111087654321016171819202122930312324252627282915143839404132333435364212131112101181078675645342312010160170181191203213224989930931423524525626627728729101514151314143814391540154110321133113412351236V570G5ҊUImgxvJ`i F1907-5120q!:BJS\ 70095638뒣Am`$v preferred'OB@{USDP̑LOYi,CCOCC1CCCN(C1)C1CCNCC1 3OSA$3961e292-ad3a-4ad8-8ab9-a88956d436eb42C12 4.059999940C22 3.059999940O3 2.86602545 2.559999940C4 2.86602545 1.559999940C5 3.7320509 1.059999940C6 4.59807634 1.559999940C7 5.46410179 1.059999940C8 5.46410179 0.05999999870N9 4.59807634 -0.4399999980 C10 3.7320509 0.05999999870 C11 4.59807634 -1.440000060 C12 3.7320509 -1.940000060 C13 3.7320509 -2.940000060 N14 4.59807634 -3.440000060C15 5.46410179 -2.940000060C16 5.46410179 -1.940000060H17 2.61999989 4.059999940H182 4.679999830H191.38 4.059999940H20 1.3894192 3.167661910H21 1.78794754 2.477390530H22 2.25544453 1.667661790H23 2.65397286 0.9773905280H24 3.7320509 1.679999950H25 4.99660444 2.03494740H26 4.19954824 2.03494740H27 6.07468271 0.9523380990H28 5.67615414 1.642609360H29 5.67615414 -0.5226094130H30 6.07468271 0.1676618610H31 3.12146997 0.1676618610H32 3.51999831 -0.5226094130 H33 5.13501215-1.130!H34 3.51999831 -1.357390640"H35 3.12146997 -2.047662020#H36 3.12146997 -2.832338090$H37 3.51999831 -3.522609470%H38 4.59807634 -4.059999940&H39 5.67615414 -3.522609470'H40 6.07468271 -2.832338090(H41 6.07468271 -2.047662020)H42 5.67615414 -1.35739064043               ! !" "# #$ $% %&&''(())*0H00000000-0000-0000-0000-0000000000003,kOY8@+?L|S jfm@} O64NƳE?B}5783265^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=181274354)3˙FWd-Ͼ(U/|GaC V"<׵C@lJA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=181274354Y*LH{,Otava[[DD̍Wi C12H22N2O2e1\@,Wʹu4O}8V570G5ҊUIxvJ`i5783265q!:BJS\ 181274354뒣Am`$v nonpreferred'OB@{P̑LOYi2COC(=O)N1CCC(CC1)N1CCCCC1OSA$439952c4-edbb-402c-8e1e-e4349ecdcfce38C1 3.7320509-3.750O2 3.7320509-2.750C3 2.86602545-2.250O42-2.750N5 2.86602545-1.250C62-0.750C720.250C8 2.866025450.750C9 3.73205090.250 C10 3.7320509-0.750 N11 2.866025451.750 C12 3.73205092.250 C13 3.73205093.250 C14 2.866025453.750C1523.250C1622.250H17 3.11205101-3.750H18 3.7320509 -4.369999890H19 4.35205078-3.750H20 1.3894192 -0.6423381570H21 1.78794754 -1.332609420H22 1.78794754 0.8326094150H23 1.3894192 0.1423381270H24 3.40296125 1.060000060H25 4.34263182 0.1423381270H26 3.94410348 0.8326094150H27 3.94410348 -1.332609420H28 4.34263182 -0.6423381570H29 3.94410348 1.667390580H30 4.34263182 2.357661960H31 4.34263182 3.142338040H32 3.94410348 3.832609420 H33 3.26455379 4.224947450!H34 2.46749711 4.224947450"H35 1.78794754 3.832609420#H36 1.3894192 3.142338040$H37 1.3894192 2.357661960%H38 1.78794754 1.66739058039                   ! !""##$$%%&0H00000000-0000-0000-0000-000000000000mZLbY jfm@} O40NƳE?B} Z644707834^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=32027890)3˙FWd-Ͼ(U?/|GaC V"@Z@<׵C@lKtA@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=32027890Y*LH{,Enamine Screening Compounds[[DD̍Wi C13H26N2Oe1\@,Wʹu4O}8V570G5ҊUImgxvJ`i Z644707834q!:BJS\ 32027890뒣Am`$v preferred'OB@{USDP̑LOYi,COCCN1CCC(CC1)N1CCCCC1OSA$06db40d3-e8f8-432d-adab-8eebb692f96342C1 4.59807634-40O2 3.7320509-3.50C3 3.7320509-2.50C4 2.86602545-20N5 2.86602545-10C62-0.50C720.50C8 2.8660254510C9 3.73205090.50 C10 3.7320509-0.50 N11 2.8660254520 C12 3.73205092.50 C13 3.73205093.50 C14 2.8660254540C1523.50C1622.50H17 4.2880764 -4.536935810H18 5.13501215 -4.309999940H19 4.90807629 -3.463064190H20 4.34263182 -2.607661960H21 3.94410348 -1.917390580H22 2.25544453 -1.892338160H23 2.65397286 -2.582609420H24 1.3894192 -0.3923381270H25 1.78794754 -1.082609420H26 1.78794754 1.082609420H27 1.3894192 0.3923381270H28 3.40296125 1.310000060H29 4.34263182 0.3923381270H30 3.94410348 1.082609420H31 3.94410348 -1.082609420H32 4.34263182 -0.3923381270 H33 3.94410348 1.917390580!H34 4.34263182 2.607661960"H35 4.34263182 3.392338040#H36 3.94410348 4.082609650$H37 3.26455379 4.474947450%H38 2.46749711 4.474947450&H39 1.78794754 4.082609650'H40 1.3894192 3.392338040(H41 1.3894192 2.607661960)H42 1.78794754 1.91739058043               ! !" "# #$ $% %&&''(())*0H00000000-0000-0000-0000-000000000000I($d jfm@} O1312NƳE?B}-3-propyl-[1,4'-bipiperidin]-4-ol, F1907-6837^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70099032)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@lKtA@*̟ŗ MFCD29997338McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70099032Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C13H26N2Oe1\@,Wʹu4O}71?8 &OSA$e31620ef-c395-4e2f-8dc6-ad28041f601342C12 2.154999970C2 2.86602497 1.654999970C3 3.7320509 2.154999970C4 4.59807587 1.654999970C5 4.59807587 0.6549999710N6 5.46410179 0.1550000010C7 6.33012676 0.6549999710C8 6.33012676 1.654999970 C9 5.46410179 2.154999970 O10 5.46410179 3.154999970 C11 5.46410179 -0.8450000290 C12 4.59807587 -1.345000030 C13 4.59807587 -2.345000030N14 5.46410179 -2.845000030C15 6.33012676 -2.345000030C16 6.33012676 -1.345000030H17 2.30999994 2.691936020H18 1.46306396 2.464999910H19 1.69000006 1.618064050H20 2.46749711 1.180052040H21 3.26455402 1.180052040H22 4.13057899 2.629946950H23 3.33352304 2.629946950H24 4.59807587 2.27500010H25 3.98749495 0.7626618150H264.386024 0.07239054140H27 6.54218006 0.07239054140H28 6.94070816 0.7626618150H29 6.94070816 1.547338010H30 6.54218006 2.237608910H31 6.00103807 2.464999910 H32 6.00103807 3.464999910!H33 6.00103807 -0.5350000260"H344.386024 -0.7623906140#H35 3.98749495 -1.452661990$H36 3.98749495 -2.237338070%H374.386024 -2.927608970&H38 5.46410179 -3.464999910'H39 6.54218006 -2.927608970(H40 6.94070816 -2.237338070)H41 6.94070816 -1.452661990*H42 6.54218006 -0.762390614043            ! " !# "$ #% $& %'&(')(*)+00411312111054321016171819202122876262728299313023242515143839404132333435364212131112101151045342312010160170181191202212223878675662662772872989931830323424425101514151314143814391540154110321133113412351236V570G5ҊUImgxvJ`i F1907-6837q!:BJS\ 70099032뒣Am`$v preferred'OB@{USDP̑LOYi,CCCC1CN(CCC1O)C1CCNCC1 LOSA$e31620ef-c395-4e2f-8dc6-ad28041f601342C12 2.154999970C2 2.86602545 1.654999970C3 3.7320509 2.154999970C4 4.59807634 1.654999970C5 4.59807634 0.6549999710N6 5.46410179 0.1550000010C7 6.33012724 0.6549999710C8 6.33012724 1.654999970C9 5.46410179 2.154999970 O10 5.46410179 3.154999970 C11 5.46410179 -0.8450000290 C12 4.59807634 -1.345000030 C13 4.59807634 -2.345000030 N14 5.46410179 -2.845000030C15 6.33012724 -2.345000030C16 6.33012724 -1.345000030H17 2.30999994 2.691935780H18 1.46306419 2.464999910H19 1.69000006 1.618064170H20 2.46749711 1.18005240H21 3.26455379 1.18005240H22 4.13057899 2.629947420H23 3.33352256 2.629947420H24 4.59807634 2.274999860H25 3.98749542 0.7626618150H264.386024 0.07239054140H27 6.54217958 0.07239054140H28 6.94070816 0.7626618150H29 6.94070816 1.547338130H30 6.54217958 2.237609390H31 6.0010376 2.464999910H32 6.0010376 3.464999910 H33 6.0010376 -0.5350000260!H344.386024 -0.7623906140"H35 3.98749542 -1.452661870#H36 3.98749542 -2.237338070$H374.386024 -2.927609440%H38 5.46410179 -3.464999910&H39 6.54217958 -2.927609440'H40 6.94070816 -2.237338070(H41 6.94070816 -1.452661870)H42 6.54217958 -0.762390614043             ! !" "# #$ $% %&&''(())*0H00000000-0000-0000-0000-000000000000?HU jfm@} O1312NƳE?B},3-ethyl-[1,4'-bipiperidin]-4-ol, F1907-6803^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70098964)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jA@*̟ŗ MFCD29997304McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70098964Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H24N2Oe1\@,Wʹu4O}72?8 _OSA$87e134ef-a133-4479-8ea0-5bd8beea11d939C12 1.654999970C2 2.86602497 2.154999970C3 3.7320509 1.654999970C4 3.7320509 0.6549999710N5 4.59807587 0.1550000010C6 5.46410179 0.6549999710C7 5.46410179 1.654999970C8 4.59807587 2.154999970 O9 4.59807587 3.154999970 C10 4.59807587 -0.8450000290 C11 3.7320509 -1.345000030 C12 3.7320509 -2.345000030 N13 4.59807587 -2.845000030C14 5.46410179 -2.345000030C15 5.46410179 -1.345000030H16 1.69000006 2.191936020H17 1.46306396 1.345000030H18 2.30999994 1.118064050H19 3.26455402 2.629946950H20 2.46749711 2.629946950H21 3.7320509 2.27500010H22 3.12146997 0.7626618150H23 3.51999807 0.07239054140H24 5.67615414 0.07239054140H25 6.07468319 0.7626618150H26 6.07468319 1.547338010H27 5.67615414 2.237608910H28 5.13501215 2.464999910H29 5.13501215 3.464999910H30 5.13501215 -0.5350000260H31 3.51999807 -0.7623906140 H32 3.12146997 -1.452661990!H33 3.12146997 -2.237338070"H34 3.51999807 -2.927608970#H35 4.59807587 -3.464999910$H36 5.67615414 -2.927608970%H37 6.07468319 -2.237338070&H38 6.07468319 -1.452661990'H39 5.67615414 -0.762390614040              ! " !# "$ #% $&%'&(00381211109432101516171819765232425268282720212214133536373829303132333911121011910493423120101501601711811927675645523524625626788287272203213229141314121313351336143714389291030103111321133V570G5ҊUImgxvJ`i F1907-6803q!:BJS\ 70098964뒣Am`$v preferred'OB@{USDP̑LOYi*CCC1CN(CCC1O)C1CCNCC1OSA$87e134ef-a133-4479-8ea0-5bd8beea11d939C12 1.654999970C2 2.86602545 2.154999970C3 3.7320509 1.654999970C4 3.7320509 0.6549999710N5 4.59807634 0.1550000010C6 5.46410179 0.6549999710C7 5.46410179 1.654999970C8 4.59807634 2.154999970O9 4.59807634 3.154999970 C10 4.59807634 -0.8450000290 C11 3.7320509 -1.345000030 C12 3.7320509 -2.345000030 N13 4.59807634 -2.845000030 C14 5.46410179 -2.345000030C15 5.46410179 -1.345000030H16 1.69000006 2.191935780H17 1.46306419 1.345000030H18 2.30999994 1.118064170H19 3.26455379 2.629947420H20 2.46749711 2.629947420H21 3.7320509 2.274999860H22 3.12146997 0.7626618150H23 3.51999831 0.07239054140H24 5.67615414 0.07239054140H25 6.07468271 0.7626618150H26 6.07468271 1.547338130H27 5.67615414 2.237609390H28 5.13501215 2.464999910H29 5.13501215 3.464999910H30 5.13501215 -0.5350000260H31 3.51999831 -0.7623906140H32 3.12146997 -1.452661870 H33 3.12146997 -2.237338070!H34 3.51999831 -2.927609440"H35 4.59807634 -3.464999910#H36 5.67615414 -2.927609440$H37 6.07468271 -2.237338070%H38 6.07468271 -1.452661870&H39 5.67615414 -0.762390614040               ! !" "# #$ $%%&&'0H00000000-0000-0000-0000-0000000000009y*RO3Bu jfm@} O1312NƳE?B}21-([1,4'-bipiperidin]-4-yl)ethan-1-ol, F1907-5405^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70096192)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jA@*̟ŗ MFCD29995946McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70096192Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H24N2Oe1\@,Wʹu4O}73?8 OSA$1b4c2a85-06d7-4734-9b8a-81ebc0390aa239C1 3.73205093.250C2 2.866024972.750C3 2.866024971.750C4 3.73205091.250C5 3.73205090.250N6 2.86602497-0.250C720.250C821.250 C9 2.86602497-1.250 C102-1.750 C112-2.750 N12 2.86602497-3.250 C13 3.7320509-2.750C14 3.7320509-1.750O1523.250H16 4.04205084 2.713063960H17 4.26898718 3.559999940H18 3.42205095 3.786936040H19 2.86602497 3.369999890H20 3.40296102 2.059999940H21 4.34263182 1.142338040H223.944103 1.832609060H233.944103 -0.3326093850H24 4.34263182 0.3576619030H25 1.38941896 0.3576619030H26 1.78794801 -0.3326093850H27 1.78794801 1.832609060H28 1.38941896 1.142338040H29 3.40296102 -0.9399999980H30 1.78794801 -1.167390940H31 1.38941896 -1.857661960 H32 1.38941896 -2.642338040!H33 1.78794801 -3.332608940"H34 2.86602497 -3.869999890#H353.944103 -3.332608940$H36 4.34263182 -2.642338040%H37 4.34263182 -1.857661960&H383.944103 -1.167390940'H392 3.86999989040              ! " !# "$ #% $& %'&(003811109854321015161714381876242526271920212223131234353637282930313239101191089584534231201015016017114143811827675662462572672721932032142242381312131112123412351336133782892993010311032V570G5ҊUImgxvJ`i F1907-5405q!:BJS\ 70096192뒣Am`$v preferred'OB@{USDP̑LOYi.CC(C1CCN(CC1)C1CCNCC1)OOSA$1b4c2a85-06d7-4734-9b8a-81ebc0390aa239C1 3.73205093.250C2 2.866025452.750C3 2.866025451.750C4 3.73205091.250C5 3.73205090.250N6 2.86602545-0.250C720.250C821.250C9 2.86602545-1.250 C102-1.750 C112-2.750 N12 2.86602545-3.250 C13 3.7320509-2.750 C14 3.7320509-1.750O1523.250H16 4.04205084 2.713064190H17 4.2689867 3.559999940H18 3.42205095 3.786935810H19 2.86602545 3.369999890H20 3.40296125 2.059999940H21 4.34263182 1.142338160H22 3.94410348 1.832609420H23 3.94410348 -0.3326094150H24 4.34263182 0.3576618730H25 1.3894192 0.3576618730H26 1.78794754 -0.3326094150H27 1.78794754 1.832609420H28 1.3894192 1.142338160H29 3.40296125 -0.9399999980H30 1.78794754 -1.167390580H31 1.3894192 -1.857661840H32 1.3894192 -2.642338040 H33 1.78794754 -3.332609420!H34 2.86602545 -3.869999890"H35 3.94410348 -3.332609420#H36 4.34263182 -2.642338040$H37 4.34263182 -1.857661840%H38 3.94410348 -1.167390580&H392 3.86999989040               ! !" "# #$ $% %&&'0H00000000-0000-0000-0000-0000000000008BH] jfm@} O1391NƳE?B}@4-(methylsulfanyl)-1-(piperidin-4-yl)piperidine, IMED1992497475^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114734200)3˙FWd-Ͼ(U?/|GaC V"@p<׵C@j@A@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114734200Y*LH{,Intermed - BB[[DD̍Wi C11H22N2Se1\@,Wʹu4O}74?8 jOSA$6f39f11a-51a1-46f1-8dd7-c0ccfd95fc9836C12 3.559999940S2 2.86602497 3.059999940C3 2.86602497 2.059999940C4 3.7320509 1.559999940C5 3.7320509 0.5600000020N6 2.86602497 0.05999999870C72 0.5600000020C82 1.559999940 C9 2.86602497 -0.9399999980 C102 -1.440000060 C112 -2.440000060 N12 2.86602497 -2.940000060 C13 3.7320509 -2.440000060C14 3.7320509 -1.440000060H15 2.30999994 4.096936230H16 1.46306396 3.869999890H17 1.69000006 3.02306390H18 3.40296102 2.369999890H19 4.34263182 1.452337980H203.944103 2.142608880H213.944103 -0.02260942940H22 4.34263182 0.6676617860H23 1.38941896 0.6676617860H24 1.78794801 -0.02260942940H25 1.78794801 2.142608880H26 1.38941896 1.452337980H27 3.40296102 -0.6299999950H28 1.78794801 -0.8573905830H29 1.38941896 -1.547662020H30 1.38941896 -2.332338090H31 1.78794801 -3.0226090 H32 2.86602497 -3.559999940!H333.944103 -3.0226090"H34 4.34263182 -2.332338090#H35 4.34263182 -1.547662020$H363.944103 -0.857390583037                ! " !# "$ #%00351110985432101415167622232425171819202113123233343526272829303610119108958453423120101401501627675662262372472521731831942042181312131112123212331334133582692792810291030V570G5ҊUIgxvJ`iIMED1992497475q!:BJS\ 114734200뒣Am`$v nonpreferred'OB@{USDP̑LOYi(CSC1CCN(CC1)C1CCNCC1OSA$6f39f11a-51a1-46f1-8dd7-c0ccfd95fc9836C12 3.559999940S2 2.86602545 3.059999940C3 2.86602545 2.059999940C4 3.7320509 1.559999940C5 3.7320509 0.5600000020N6 2.86602545 0.05999999870C72 0.5600000020C82 1.559999940C9 2.86602545 -0.9399999980 C102 -1.440000060 C112 -2.440000060 N12 2.86602545 -2.940000060 C13 3.7320509 -2.440000060 C14 3.7320509 -1.440000060H15 2.30999994 4.096935750H16 1.46306419 3.869999890H17 1.69000006 3.023064140H18 3.40296125 2.369999890H19 4.34263182 1.45233810H20 3.94410348 2.142609360H21 3.94410348 -0.02260942570H22 4.34263182 0.6676618460H23 1.3894192 0.6676618460H24 1.78794754 -0.02260942570H25 1.78794754 2.142609360H26 1.3894192 1.45233810H27 3.40296125 -0.6299999950H28 1.78794754 -0.8573906420H29 1.3894192 -1.54766190H30 1.3894192 -2.332338090H31 1.78794754 -3.022609470H32 2.86602545 -3.559999940 H33 3.94410348 -3.022609470!H34 4.34263182 -2.332338090"H35 4.34263182 -1.54766190#H36 3.94410348 -0.857390642037                 ! !" "# #$0H00000000-0000-0000-0000-000000000000BK # jfm@} O1312NƳE?B}84-(fluoromethyl)-4-methyl-1,4'-bipiperidine, F1907-7049^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70099456)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jVA@*̟ŗ MFCD29997547McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70099456Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H23FN2e1\@,Wʹu4O}75?8 OSA$599ab305-0730-473c-91b8-b00a39bcc2cb38 F12 3.243012910C23 3.243012910C33.5 2.376986980C44 3.243012910C5 4.36602497 1.876986980C6 4.36602497 0.8769872780N73.5 0.3769873080C8 2.63397503 0.8769872780 C9 2.63397503 1.876986980 C103.5 -0.6230127220 C11 2.63397503 -1.123013020 C12 2.63397503 -2.123013020 N133.5 -2.623013020C14 4.36602497 -2.123013020C15 4.36602497 -1.123013020H16 3.58260894 3.455065010H17 2.89233804 3.853594060H18 4.53693581 2.933012960H19 4.309999943.7799480H20 3.46306396 3.553013090H21 4.97660589 1.769325020H22 4.57807779 2.459597110H23 4.57807779 0.2943778040H24 4.97660589 0.9846491220H25 2.02339411 0.9846491220H26 2.42192197 0.2943778040H27 2.42192197 2.459597110H28 2.02339411 1.769325020H29 4.03693581 -0.3130126890H30 2.42192197 -0.5404031870H31 2.02339411 -1.230674980 H32 2.02339411 -2.015351060!H33 2.42192197 -2.705621960"H343.5 -3.243012910#H35 4.57807779 -2.705621960$H36 4.97660589 -2.015351060%H37 4.97660589 -1.230674980&H38 4.57807779 -0.540403187039               ! " !# "$ #%$&%'003712111096542101516317181987242526272021222314133435363728293031323811121011910695645241201115116233173183192878677247258268274204215225239141314121313341335143614379281029103011311132V570G5ҊUImgxvJ`i F1907-7049q!:BJS\ 70099456뒣Am`$v preferred'OB@{USDP̑LOYi.FCC1(C)CCN(CC1)C1CCNCC1COSA$599ab305-0730-473c-91b8-b00a39bcc2cb38 F12 3.243012670C23 3.243012670C33.5 2.376987220C44 3.243012670C5 4.36602545 1.876987340C6 4.36602545 0.8769872780N73.5 0.3769873080C8 2.63397455 0.8769872780C9 2.63397455 1.876987340 C103.5 -0.6230127220 C11 2.63397455 -1.123012660 C12 2.63397455 -2.123012780 N133.5 -2.623012780 C14 4.36602545 -2.123012780C15 4.36602545 -1.123012660H16 3.58260942 3.455065250H17 2.89233804 3.853593590H18 4.53693581 2.933012720H19 4.30999994 3.779948470H20 3.46306419 3.553012610H21 4.97660637 1.769325490H22 4.57807779 2.459596870H23 4.57807779 0.2943778340H24 4.97660637 0.9846491220H25 2.02339363 0.9846491220H26 2.42192197 0.2943778340H27 2.42192221 2.459596870H28 2.02339363 1.769325490H29 4.03693581 -0.3130126890H30 2.42192221 -0.5404032470H31 2.02339363 -1.230674510H32 2.02339363 -2.015350820 H33 2.42192197 -2.70562220!H343.5 -3.243012670"H35 4.57807779 -2.70562220#H36 4.97660637 -2.015350820$H37 4.97660637 -1.230674510%H38 4.57807779 -0.540403247039                ! !" "# #$$%%&0H00000000-0000-0000-0000-000000000000rbnqLE~@x jfm@} O1312NƳE?B}04-(2-fluoroethyl)-1,4'-bipiperidine, F1907-4590^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70094612)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jVA@*̟ŗ MFCD29995177McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70094612Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H23FN2e1\@,Wʹu4O}76?8 OSA$12030e0a-6609-468f-b04f-251abde0846138 F12 4.059999940C22 3.059999940C3 2.86602497 2.559999940C4 2.86602497 1.559999940C5 3.7320509 1.059999940C6 3.7320509 0.05999999870N7 2.86602497 -0.4399999980C82 0.05999999870 C92 1.059999940 C10 2.86602497 -1.440000060 C112 -1.940000060 C122 -2.940000060 N13 2.86602497 -3.440000060C14 3.7320509 -2.940000060C15 3.7320509 -1.940000060H16 1.38941896 3.167661910H17 1.787948012.4773910H18 3.47660589 2.452337980H19 3.07807803 3.142608880H20 3.402961021.870H21 4.34263182 0.9523380990H223.9441031.6426090H233.944103 -0.5226094130H24 4.34263182 0.1676619050H25 1.38941896 0.1676619050H26 1.78794801 -0.5226094130H27 1.787948011.6426090H28 1.38941896 0.9523380990H29 3.40296102-1.130H30 1.78794801 -1.3573910H31 1.38941896 -2.047662020 H32 1.38941896 -2.832338090!H33 1.78794801 -3.5226090"H34 2.86602497 -4.059999940#H353.944103 -3.5226090$H36 4.34263182 -2.832338090%H37 4.34263182 -2.047662020&H383.944103 -1.357391039               ! " !# "$ #%$&%'003712111096543210151617188724252627192021222314133435363728293031323811121011910695645342312011151162172183878677247258268273194204215225239141314121313341335143614379281029103011311132V570G5ҊUImgxvJ`i F1907-4590q!:BJS\ 70094612뒣Am`$v preferred'OB@{USDP̑LOYi*FCCC1CCN(CC1)C1CCNCC1;OSA$12030e0a-6609-468f-b04f-251abde0846138 F12 4.059999940C22 3.059999940C3 2.86602545 2.559999940C4 2.86602545 1.559999940C5 3.7320509 1.059999940C6 3.7320509 0.05999999870N7 2.86602545 -0.4399999980C82 0.05999999870C92 1.059999940 C10 2.86602545 -1.440000060 C112 -1.940000060 C122 -2.940000060 N13 2.86602545 -3.440000060 C14 3.7320509 -2.940000060C15 3.7320509 -1.940000060H16 1.3894192 3.167661910H17 1.78794754 2.477390530H18 3.47660637 2.452337980H19 3.07807803 3.142609360H20 3.402961251.870H21 4.34263182 0.9523380990H22 3.94410348 1.642609360H23 3.94410348 -0.5226094130H24 4.34263182 0.1676618610H25 1.3894192 0.1676618610H26 1.78794754 -0.5226094130H27 1.78794754 1.642609360H28 1.3894192 0.9523380990H29 3.40296125-1.130H30 1.78794754 -1.357390640H31 1.3894192 -2.047662020H32 1.3894192 -2.832338090 H33 1.78794754 -3.522609470!H34 2.86602545 -4.059999940"H35 3.94410348 -3.522609470#H36 4.34263182 -2.832338090$H37 4.34263182 -2.047662020%H38 3.94410348 -1.35739064039                ! !" "# #$$%%&0H00000000-0000-0000-0000-000000000000m@D0c jfm@} O1312NƳE?B}02-(methoxymethyl)-1,4'-bipiperidine, F1907-5258^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70095905)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jA@*̟ŗ MFCD29995806McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70095905Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H24N2Oe1\@,Wʹu4O}77?8 ]OSA$44525deb-c417-4485-87bf-332d54b4cd6a39C12 0.8100000020O2 2.86602497 1.309999940C3 3.7320509 0.8100000020C4 4.59807587 1.309999940C5 4.59807587 2.309999940C6 5.46410179 2.809999940C7 6.33012676 2.309999940C8 6.33012676 1.309999940 N9 5.46410179 0.8100000020 C10 5.46410179 -0.1899999980 C11 4.59807587 -0.6899999980 C12 4.59807587 -1.690000060 N13 5.46410179 -2.190000060C14 6.33012676 -1.690000060C15 6.33012676 -0.6899999980H16 1.69000006 1.346935990H17 1.46306396 0.5000001190H18 2.30999994 0.2730641960H19 3.33352304 0.3350524010H20 4.13057899 0.3350524010H21 4.59807587 0.6899998780H224.386024 2.892608880H23 3.98749495 2.202337980H24 5.86262989 3.284946920H25 5.06557417 3.284946920H26 6.94070816 2.202337980H27 6.54218006 2.892608880H28 6.54218006 0.7273905280H29 6.94070816 1.417662020H30 6.00103807 0.1199999970H314.386024 -0.1073905970 H32 3.98749495 -0.7976617810!H33 3.98749495 -1.582337980"H344.386024 -2.2726090#H35 5.46410179 -2.809999940$H36 6.54218006 -2.2726090%H37 6.94070816 -1.582337980&H38 6.94070816 -0.7976617810'H39 6.54218006 -0.107390597040              ! " !# "$ #% $&%'&(00381211109876543210151617181920212223242526272814133536373829303132333911121011910897867564534231201015016017218219383204214225235246256267277289141314121313351336143714389291030103111321133V570G5ҊUImgxvJ`i F1907-5258q!:BJS\ 70095905뒣Am`$v preferred'OB@{USDP̑LOYi&COCC1CCCCN1C1CCNCC1OSA$44525deb-c417-4485-87bf-332d54b4cd6a39C12 0.8100000020O2 2.86602545 1.309999940C3 3.7320509 0.8100000020C4 4.59807634 1.309999940C5 4.59807634 2.309999940C6 5.46410179 2.809999940C7 6.33012724 2.309999940C8 6.33012724 1.309999940N9 5.46410179 0.8100000020 C10 5.46410179 -0.1899999980 C11 4.59807634 -0.6899999980 C12 4.59807634 -1.690000060 N13 5.46410179 -2.190000060 C14 6.33012724 -1.690000060C15 6.33012724 -0.6899999980H16 1.69000006 1.346935750H17 1.46306419 0.500000060H18 2.30999994 0.2730642260H19 3.33352256 0.3350524310H20 4.13057899 0.3350524310H21 4.59807634 0.6899999380H224.386024 2.892609360H23 3.98749542 2.202337980H24 5.86262989 3.28494740H25 5.06557369 3.28494740H26 6.94070816 2.202337980H27 6.54217958 2.892609360H28 6.54217958 0.7273905280H29 6.94070816 1.417661790H30 6.0010376 0.1200000050H314.386024 -0.1073905680H32 3.98749542 -0.7976618410 H33 3.98749542 -1.582338210!H344.386024 -2.272609470"H35 5.46410179 -2.809999940#H36 6.54217958 -2.272609470$H37 6.94070816 -1.582338210%H38 6.94070816 -0.7976618410&H39 6.54217958 -0.107390568040               ! !" "# #$ $%%&&'0H00000000-0000-0000-0000-000000000000y>a_D[♅ jfm@} O1312NƳE?B}21-([1,4'-bipiperidin]-2-yl)ethan-1-ol, F1907-5516^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70096414)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jA@*̟ŗ MFCD29996057McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70096414Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H24N2Oe1\@,Wʹu4O}78?8 TOSA$e33c3afd-4aa0-4703-a46e-cde19e4a7cc439C1 3.40296102 -0.1899999980C2 3.40296102 0.8100000020C3 4.26898718 1.309999940C4 4.26898718 2.309999940C5 5.13501215 2.809999940C6 6.00103807 2.309999940C7 6.00103807 1.309999940N8 5.13501215 0.8100000020 C9 5.13501215 -0.1899999980 C10 4.26898718 -0.6899999980 C11 4.26898718 -1.690000060 N12 5.13501215 -2.190000060 C13 6.00103807 -1.690000060C14 6.00103807 -0.6899999980O15 2.53693604 1.309999940H16 2.78296089 -0.1899999980H17 3.40296102 -0.8100000020H18 4.02296114 -0.1899999980H19 3.40296102 1.429999950H20 4.26898718 0.6899998780H21 4.05693388 2.892608880H22 3.65840602 2.202337980H23 5.53353977 3.284946920H24 4.73648405 3.284946920H256.611619 2.202337980H26 6.21308994 2.892608880H27 6.21308994 0.7273905280H286.611619 1.417662020H29 5.67194796 0.1199999970H30 4.05693388 -0.1073905970H31 3.65840602 -0.7976617810 H32 3.65840602 -1.582337980!H33 4.05693388 -2.2726090"H34 5.13501215 -2.809999940#H35 6.21308994 -2.2726090$H366.611619 -1.582337980%H376.611619 -0.7976617810&H38 6.21308994 -0.1073905970'H3921040              ! " !# "$ #% $& %'&(003811109876543210151617143818192021222324252627131234353637282930313239101191089786756453423120101501601711414381182721932032142242352452562662781312131112123412351336133782892993010311032V570G5ҊUImgxvJ`i F1907-5516q!:BJS\ 70096414뒣Am`$v preferred'OB@{USDP̑LOYi*CC(C1CCCCN1C1CCNCC1)OOSA$e33c3afd-4aa0-4703-a46e-cde19e4a7cc439C1 3.40296125 -0.1899999980C2 3.40296125 0.8100000020C3 4.2689867 1.309999940C4 4.2689867 2.309999940C5 5.13501215 2.809999940C6 6.0010376 2.309999940C7 6.0010376 1.309999940N8 5.13501215 0.8100000020C9 5.13501215 -0.1899999980 C10 4.2689867 -0.6899999980 C11 4.2689867 -1.690000060 N12 5.13501215 -2.190000060 C13 6.0010376 -1.690000060 C14 6.0010376 -0.6899999980O15 2.53693581 1.309999940H16 2.78296137 -0.1899999980H17 3.40296125 -0.8100000020H18 4.02296114 -0.1899999980H19 3.40296125 1.429999950H20 4.2689867 0.6899999380H21 4.05693436 2.892609360H22 3.65840578 2.202337980H23 5.53354025 3.28494740H24 4.73648405 3.28494740H25 6.61161852 2.202337980H26 6.21308994 2.892609360H27 6.21308994 0.7273905280H28 6.61161852 1.417661790H29 5.67194796 0.1200000050H30 4.05693436 -0.1073905680H31 3.65840578 -0.7976618410H32 3.65840578 -1.582338210 H33 4.05693436 -2.272609470!H34 5.13501215 -2.809999940"H35 6.21308994 -2.272609470#H36 6.61161852 -1.582338210$H37 6.61161852 -0.7976618410%H38 6.21308994 -0.1073905680&H3921040               ! !" "# #$ $% %&&'0H00000000-0000-0000-0000-000000000000jͻE[Xv  jfm@} O1312NƳE?B}22-([1,4'-bipiperidin]-4-yl)ethan-1-ol, F1907-4914^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70095244)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jA@*̟ŗ MFCD29995474McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70095244Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H24N2Oe1\@,Wʹu4O}79?8 ^OSA$686f79d4-438c-46c2-b91c-46fa71969ef239O1 2.53693604 3.904999970C2 2.53693604 2.904999970C3 3.40296102 2.404999970C4 3.40296102 1.404999970C5 4.26898718 0.9049999710C6 4.26898718 -0.09499999880N7 3.40296102 -0.5950000290C8 2.53693604 -0.09499999880 C9 2.53693604 0.9049999710 C10 3.40296102 -1.595000030 C11 2.53693604 -2.095000030 C12 2.53693604 -3.095000030 N13 3.40296102 -3.595000030C14 4.26898718 -3.095000030C15 4.26898718 -2.095000030H162 4.215000150H171.926355 3.012661930H18 2.32488298 2.322391030H19 4.01354218 2.297338010H20 3.61501408 2.987608910H21 3.93989706 1.715000030H22 4.8795681 0.7973381280H23 4.48103905 1.487609030H24 4.48103905 -0.6776093840H25 4.8795681 0.01266186960H261.926355 0.01266186960H27 2.32488298 -0.6776093840H28 2.32488298 1.487609030H291.926355 0.7973381280H30 3.93989706 -1.284999970H31 2.32488298 -1.512390970 H321.926355 -2.202661990!H331.926355 -2.987338070"H34 2.32488298 -3.677608970#H35 3.40296102 -4.215000150$H36 4.48103905 -3.677608970%H37 4.8795681 -2.987338070&H38 4.8795681 -2.202661990'H39 4.48103905 -1.51239097040              ! " !# "$ #% $&%'&(00381211109654321015161718198725262728202122232414133536373829303132333911121011910695645342312010151161172182193878677257268278283204214225235249141314121313351336143714389291030103111321133V570G5ҊUImgxvJ`i F1907-4914q!:BJS\ 70095244뒣Am`$v preferred'OB@{USDP̑LOYi*OCCC1CCN(CC1)C1CCNCC1OSA$686f79d4-438c-46c2-b91c-46fa71969ef239O1 2.53693581 3.904999970C2 2.53693581 2.904999970C3 3.40296125 2.404999970C4 3.40296125 1.404999970C5 4.2689867 0.9049999710C6 4.2689867 -0.09499999880N7 3.40296125 -0.5950000290C8 2.53693581 -0.09499999880C9 2.53693581 0.9049999710 C10 3.40296125 -1.595000030 C11 2.53693581 -2.095000030 C12 2.53693581 -3.095000030 N13 3.40296125 -3.595000030 C14 4.2689867 -3.095000030C15 4.2689867 -2.095000030H162 4.215000150H171.926355 3.012661930H18 2.32488322 2.322390560H19 4.01354218 2.297338010H20 3.61501384 2.987609390H21 3.93989706 1.715000030H22 4.87956762 0.7973381280H23 4.48103905 1.487609390H24 4.48103905 -0.6776094440H25 4.87956762 0.01266186680H261.926355 0.01266186680H27 2.32488322 -0.6776094440H28 2.32488322 1.487609390H291.926355 0.7973381280H30 3.93989706 -1.284999970H31 2.32488322 -1.512390610H321.926355 -2.202661990 H331.926355 -2.987338070!H34 2.32488322 -3.677609440"H35 3.40296125 -4.215000150#H36 4.48103905 -3.677609440$H37 4.87956762 -2.987338070%H38 4.87956762 -2.202661990&H39 4.48103905 -1.51239061040               ! !" "# #$ $%%&&'0H00000000-0000-0000-0000-000000000000Ս>[+Ok[ jfm@} O1312NƳE?B}21-([1,4'-bipiperidin]-3-yl)ethan-1-ol, F1907-5442^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70096266)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@jA@*̟ŗ MFCD29995983McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70096266Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C12H24N2Oe1\@,Wʹu4O}80?8 _OSA$b571ca5b-5ce4-428e-a2e2-46f451d51d2339C12 1.654999970C2 2.86602497 2.154999970C3 3.7320509 1.654999970C4 4.59807587 2.154999970C5 5.46410179 1.654999970C6 5.46410179 0.6549999710N7 4.59807587 0.1550000010C8 3.7320509 0.6549999710 C9 4.59807587 -0.8450000290 C10 3.7320509 -1.345000030 C11 3.7320509 -2.345000030 N12 4.59807587 -2.845000030 C13 5.46410179 -2.345000030C14 5.46410179 -1.345000030O15 2.86602497 3.154999970H16 1.69000006 2.191936020H17 1.46306396 1.345000030H18 2.30999994 1.118064050H19 3.40296102 2.464999910H20 4.26898718 1.345000030H21 4.99660397 2.629946950H22 4.19954777 2.629946950H23 6.07468319 1.547338010H24 5.67615414 2.237608910H25 5.67615414 0.07239054140H26 6.07468319 0.7626618150H27 3.12146997 0.7626618150H28 3.51999807 0.07239054140H29 5.13501215 -0.5350000260H30 3.51999807 -0.7623906140H31 3.12146997 -1.452661990 H32 3.12146997 -2.237338070!H33 3.51999807 -2.927608970"H34 4.59807587 -3.464999910#H35 5.67615414 -2.927608970$H36 6.07468319 -2.237338070%H37 6.07468319 -1.452661990&H38 5.67615414 -0.7623906140'H39 2.32909012 3.46499991040              ! " !# "$ #% $& %'&(003811109865432101516171438187262719202122232425131234353637282930313239101191089685645342312010150160171141438118276772672721932032142242352452581312131112123412351336133782892993010311032V570G5ҊUImgxvJ`i F1907-5442q!:BJS\ 70096266뒣Am`$v preferred'OB@{USDP̑LOYi.CC(C1CCCN(C1)C1CCNCC1)OOSA$b571ca5b-5ce4-428e-a2e2-46f451d51d2339C12 1.654999970C2 2.86602545 2.154999970C3 3.7320509 1.654999970C4 4.59807634 2.154999970C5 5.46410179 1.654999970C6 5.46410179 0.6549999710N7 4.59807634 0.1550000010C8 3.7320509 0.6549999710C9 4.59807634 -0.8450000290 C10 3.7320509 -1.345000030 C11 3.7320509 -2.345000030 N12 4.59807634 -2.845000030 C13 5.46410179 -2.345000030 C14 5.46410179 -1.345000030O15 2.86602545 3.154999970H16 1.69000006 2.191935780H17 1.46306419 1.345000030H18 2.30999994 1.118064170H19 3.40296125 2.464999910H20 4.2689867 1.344999910H21 4.99660444 2.629947420H22 4.19954824 2.629947420H23 6.07468271 1.547338130H24 5.67615414 2.237609390H25 5.67615414 0.07239054140H26 6.07468271 0.7626618150H27 3.12146997 0.7626618150H28 3.51999831 0.07239054140H29 5.13501215 -0.5350000260H30 3.51999831 -0.7623906140H31 3.12146997 -1.452661870H32 3.12146997 -2.237338070 H33 3.51999831 -2.927609440!H34 4.59807634 -3.464999910"H35 5.67615414 -2.927609440#H36 6.07468271 -2.237338070$H37 6.07468271 -1.452661870%H38 5.67615414 -0.7623906140&H39 2.32908964 3.46499991040               ! !" "# #$ $% %&&'0H00000000-0000-0000-0000-0000000000006QWC"H*!% jfm@} O1296NƳE?B}=4-ethenyl-4-(4-methylpiperidin-1-yl)piperidine, EN300-336710^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=106519839)3˙FWd-Ͼ(U@Y/|GaC V"@u<׵C@j A@*̟ŗ MFCD30498553McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=106519839Y*LH{,Enamine BB - UA Backorder[[DD̍Wi C13H24N2e1\@,Wʹu4O}81?8 OSA$69ca6dd8-0db0-4dcf-8133-492f77cfa8d539C15.5 0.4439746140C24.5 0.4439746140C34 -0.4220508040C4 3.13397503 -0.9220507740C5 3.13397503 -1.922050950N64 -2.422050950C7 4.86602497 -1.922050950C8 4.86602497 -0.9220507740 N93.5 0.4439746140 C104 1.309999940 C113.5 2.176024910 C122.5 2.176024910 C132 1.309999940C142.5 0.4439746140C152 3.042051080H16 5.80999994 -0.09296116230H17 5.80999994 0.980910420H18 4.19000006 0.980910420H19 2.92192197 -0.3394413890H20 2.52339411 -1.029713030H21 2.52339411 -1.814388990H22 2.92192197 -2.504659890H234 -3.042051080H24 5.07807779 -2.504659890H25 5.47660589 -1.814388990H26 5.47660589 -1.029713030H27 5.07807779 -0.3394413890H28 4.47494698 0.9114716050H29 4.47494698 1.708528040H30 4.08261013 2.388077970H31 3.39233804 2.786606070 H321.88 2.176024910!H33 1.52505195 1.708528040"H34 1.52505195 0.9114716050#H35 1.91739094 0.2319221050$H36 2.60766196 -0.1666062030%H37 2.53693604 3.352051020&H38 1.69000006 3.578986880'H39 1.46306396 2.7320509040                 ! " !# "$ #%$&%'&(0038543210151617762324252689101112133435323314363738312930272818192021394534231201015016117276756623624725726288991010111112121381313341335123212331114143614371438113110291030927928318319420421V570G5ҊUImgxvJ`i EN300-336710q!:BJS\ 106519839뒣Am`$v preferred'OB@{USDP̑LOYi0C=CC1(CCNCC1)N1CCC(CC1)CZOSA$69ca6dd8-0db0-4dcf-8133-492f77cfa8d539C15.5 0.4439745840C24.5 0.4439745840C34 -0.4220508040C4 3.13397455 -0.9220508340C5 3.13397455 -1.922050830N64 -2.422050710C7 4.86602545 -1.922050830C8 4.86602545 -0.9220508340N93.5 0.4439745840 C104 1.309999940 C113.5 2.176025390 C122.5 2.176025390 C132 1.309999940 C142.5 0.4439745840C152 3.042050840H16 5.80999994 -0.09296116230H17 5.80999994 0.9809103610H18 4.19000006 0.9809103610H19 2.92192197 -0.3394414190H20 2.52339363 -1.029712680H21 2.52339363 -1.814388990H22 2.92192221 -2.504660370H234 -3.042050840H24 5.07807779 -2.504660370H25 5.47660637 -1.814388990H26 5.47660637 -1.029712680H27 5.07807779 -0.3394414190H28 4.47494745 0.9114716050H29 4.47494745 1.708528280H30 4.08260965 2.388077970H31 3.39233804 2.786606310H321.88 2.176025390 H33 1.52505243 1.708528280!H34 1.52505243 0.9114716050"H35 1.91739058 0.2319220750#H36 2.60766196 -0.1666062180$H37 2.53693581 3.352050780%H38 1.69000006 3.578986640&H39 1.46306419 2.7320509040                  ! !" "# #$$%%&&'0H00000000-0000-0000-0000-000000000000 j"FNF  jfm@} O40NƳE?B} Z644710266^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37976655)3˙FWd-Ͼ(U/|GaC V"<׵C@ivA@*̟ŗ MFCD14631774McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37976655Y*LH{,Enamine Screening Compounds[[DD̍Wi C13H22N2e1\@,Wʹu4O}8V570G5ҊUIxvJ`i Z644710266q!:BJS\ 37976655뒣Am`$v preferred'OB@{P̑LOYi,C#CCN1CCC(CC1)N1CCCCC1OSA$d62b0567-ad05-4a48-82d5-db7d4197b70037C1 4.59807634 -3.345000030C2 3.7320509 -2.845000030C3 2.86602545 -2.345000030N4 2.86602545 -1.345000030C52 -0.8450000290C62 0.1550000010C7 2.86602545 0.6549999710C8 3.7320509 0.1550000010C9 3.7320509 -0.8450000290 N10 2.86602545 1.654999970 C11 3.7320509 2.154999970 C12 3.7320509 3.154999970 C13 2.86602545 3.654999970 C142 3.154999970C152 2.154999970H16 5.13501215 -3.654999970H17 2.25544453 -2.237338070H18 2.65397286 -2.927609440H19 1.3894192 -0.7373381850H20 1.78794754 -1.427609440H21 1.78794754 0.7376094460H22 1.3894192 0.04733813930H23 3.40296125 0.9649999740H24 4.34263182 0.04733813930H25 3.94410348 0.7376094460H26 3.94410348 -1.427609440H27 4.34263182 -0.7373381850H28 3.94410348 1.572390560H29 4.34263182 2.262661930H30 4.34263182 3.047338010H31 3.94410348 3.737609390H32 3.26455379 4.129947660 H33 2.46749711 4.129947660!H34 1.78794754 3.737609390"H35 1.3894192 3.047338010#H36 1.3894192 2.262661930$H37 1.78794754 1.57239056038                 ! !" "##$$%0H00000000-0000-0000-0000-000000000000˄`fGVؕ0O  jfm@} O1312NƳE?B}/3-(fluoromethyl)-1,4'-bipiperidine, F1907-4505^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70094442)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@i xA@*̟ŗ MFCD29995092McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70094442Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C11H21FN2e1\@,Wʹu4O}82?8 ;OSA$a60c2f12-ea27-4834-9a7d-90b02d30374b35 F12 3.309999940C22 2.309999940C3 2.86602497 1.809999940C4 3.7320509 2.309999940C5 4.59807587 1.809999940C6 4.59807587 0.8100000020N7 3.7320509 0.3100000020C8 2.86602497 0.8100000020 C9 3.7320509 -0.6899999980 C10 2.86602497 -1.190000060 C11 2.86602497 -2.190000060 N12 3.7320509 -2.690000060 C13 4.59807587 -2.190000060C14 4.59807587 -1.190000060H15 1.38941896 2.417661910H16 1.787948011.7273910H17 2.86602497 2.430000070H18 4.13057899 2.784946920H19 3.33352304 2.784946920H20 5.20865679 1.702337980H21 4.81012917 2.392608880H22 4.81012917 0.2273906020H23 5.20865679 0.9176617860H242.255445 0.9176617860H25 2.6539731 0.2273906020H26 4.26898718 -0.3799999950H27 2.6539731 -0.6073905830H282.255445 -1.297662020H292.255445 -2.082338090H30 2.6539731 -2.7726090H31 3.7320509 -3.309999940 H32 4.81012917 -2.7726090!H33 5.20865679 -2.082338090"H34 5.20865679 -1.297662020#H35 4.81012917 -0.607390583036                 ! " !# "$003411109865432101415723241617181920212213123132333425262728293510119108968564534231201114115276772372421631731841942052152281312131112123112321333133482592692710281029V570G5ҊUImgxvJ`i F1907-4505q!:BJS\ 70094442뒣Am`$v preferred'OB@{USDP̑LOYi(FCC1CCCN(C1)C1CCNCC1OSA$a60c2f12-ea27-4834-9a7d-90b02d30374b35 F12 3.309999940C22 2.309999940C3 2.86602545 1.809999940C4 3.7320509 2.309999940C5 4.59807634 1.809999940C6 4.59807634 0.8100000020N7 3.7320509 0.3100000020C8 2.86602545 0.8100000020C9 3.7320509 -0.6899999980 C10 2.86602545 -1.190000060 C11 2.86602545 -2.190000060 N12 3.7320509 -2.690000060 C13 4.59807634 -2.190000060 C14 4.59807634 -1.190000060H15 1.3894192 2.417661910H16 1.78794754 1.727390530H17 2.86602545 2.429999830H18 4.13057899 2.78494740H19 3.33352256 2.78494740H20 5.20865726 1.70233810H21 4.81012869 2.392609360H22 4.81012869 0.2273905720H23 5.20865726 0.9176618460H24 2.25544453 0.9176618460H25 2.65397286 0.2273905720H26 4.2689867 -0.3799999950H27 2.65397286 -0.6073906420H28 2.25544453 -1.29766190H29 2.25544453 -2.082338090H30 2.65397286 -2.772609470H31 3.7320509 -3.309999940H32 4.81012869 -2.772609470 H33 5.20865726 -2.082338090!H34 5.20865726 -1.29766190"H35 4.81012869 -0.607390642036                  ! !" "#0H00000000-0000-0000-0000-000000000000hxoDQ% , jfm@} O1312NƳE?B}f3,3-difluoro-1,4'-bipiperidine, 3,3-difluoro-1-(piperidin-4-yl)piperidine, F1907-4255, IMED2467587292^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70093936)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@iQA@*̟ŗ MFCD29994853McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70093936Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C10H18F2N2e1\@,Wʹu4O}83?8dOSA$e5b11fec-83b8-44af-b577-702bd4d6b94732 F12 2.126986980C23 2.126986980 F32.5 2.993012910C4 3.86602497 2.626986980C5 4.7320509 2.126986980C6 4.7320509 1.126986980N7 3.86602497 0.6269872780C83 1.126986980 C9 3.86602497 -0.3730126920 C103 -0.8730127220 C113 -1.873013020 N12 3.86602497 -2.373013020 C13 4.7320509 -1.873013020C14 4.7320509 -0.8730127220H15 4.26455402 3.101934910H16 3.46749711 3.101934910H17 5.34263182 2.019325020H18 4.94410276 2.709597110H19 4.94410276 0.5443779230H20 5.34263182 1.234648940H21 2.38941908 1.234648940H22 2.78794694 0.5443779230H23 4.40296078 -0.06301268940H24 2.78794694 -0.2904033060H25 2.38941908 -0.9806746240H26 2.38941908 -1.765351060H27 2.78794694 -2.455621960H28 3.86602497 -2.993012910H29 4.94410276 -2.455621960H30 5.34263182 -1.765351060H31 5.34263182 -0.9806746240 H32 4.94410276 -0.290403306033                    !003111109865431027202114151617181913122829303122232425263210119108968564534130112176772072131431541641751851981312131112122812291330133182292392410251026V570G5ҊUImgxvJ`i F1907-4255q!:BJS\ 70093936뒣Am`$v preferred'OB@{USDP̑LOYi,FC1(F)CCCN(C1)C1CCNCC1OSA$e5b11fec-83b8-44af-b577-702bd4d6b94732 F12 2.126987220C23 2.126987220 F32.5 2.993012670C4 3.86602545 2.626987220C5 4.7320509 2.126987220C6 4.7320509 1.126987340N7 3.86602545 0.6269872780C83 1.126987340C9 3.86602545 -0.3730126920 C103 -0.8730127220 C113 -1.873012660 N12 3.86602545 -2.373012780 C13 4.7320509 -1.873012660 C14 4.7320509 -0.8730127220H15 4.26455355 3.101934670H16 3.46749711 3.101934670H17 5.34263182 2.019325260H18 4.94410324 2.709596630H19 4.94410324 0.5443779230H20 5.34263182 1.234649180H21 2.38941908 1.234649180H22 2.78794742 0.5443779230H23 4.40296125 -0.06301268940H24 2.78794742 -0.2904033060H25 2.38941908 -0.9806745650H26 2.38941908 -1.765350820H27 2.78794742 -2.455621960H28 3.86602545 -2.993012670H29 4.94410324 -2.455621960H30 5.34263182 -1.765350820H31 5.34263182 -0.9806745650H32 4.94410324 -0.290403306033                     0H00000000-0000-0000-0000-000000000000dK;6Z jfm@} O1312NƳE?B}t4,4-difluoro-1,4'-bipiperidine, 4,4-difluoro-1-(piperidin-4-yl)piperidine, BBV-45214279, F1908-0193, IMED1509251941^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=104416385)3˙FWd-Ͼ(U@o@/|GaC V"@h<׵C@iQA@*̟ŗ MFCD22191320McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=104416385Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C10H18F2N2e1\@,Wʹu4O}84?8kOSA$fefb0eb9-f619-40a1-8a76-cb8c99cef65232 F1 3.36602497 3.243012910C2 2.86602497 2.376986980 F3 2.36602497 3.243012910C4 3.7320509 1.876986980C5 3.7320509 0.8769872780N6 2.86602497 0.3769873080C72 0.8769872780C82 1.876986980 C9 2.86602497 -0.6230127220 C102 -1.123013020 C112 -2.123013020 N12 2.86602497 -2.623013020 C13 3.7320509 -2.123013020C14 3.7320509 -1.123013020H15 4.34263182 1.769325020H163.944103 2.459597110H173.944103 0.2943778040H18 4.34263182 0.9846491220H19 1.38941896 0.9846491220H20 1.78794801 0.2943778040H21 1.78794801 2.459597110H22 1.38941896 1.769325020H23 3.40296102 -0.3130126890H24 1.78794801 -0.5404031870H25 1.38941896 -1.230674980H26 1.38941896 -2.015351060H27 1.78794801 -2.705621960H28 2.86602497 -3.243012910H293.944103 -2.705621960H30 4.34263182 -2.015351060H31 4.34263182 -1.230674980 H323.944103 -0.540403187033                    !003111109854310276181920211415161713122829303122232425263210119108958453413011217675661861972072131431541641781312131112122812291330133182292392410251026V570G5ҊUImgxvJ`i F1908-0193q!:BJS\ 104416385뒣Am`$v preferred'OB@{USDP̑LOYi,FC1(F)CCN(CC1)C1CCNCC1 OSA$fefb0eb9-f619-40a1-8a76-cb8c99cef65232 F1 3.36602545 3.243012670C2 2.86602545 2.376987220 F3 2.36602545 3.243012670C4 3.7320509 1.876987340C5 3.7320509 0.8769872780N6 2.86602545 0.3769873080C72 0.8769872780C82 1.876987340C9 2.86602545 -0.6230127220 C102 -1.123012660 C112 -2.123012780 N12 2.86602545 -2.623012780 C13 3.7320509 -2.123012780 C14 3.7320509 -1.123012660H15 4.34263182 1.769325490H16 3.94410324 2.459596870H17 3.94410348 0.2943778340H18 4.34263182 0.9846491220H19 1.3894192 0.9846491220H20 1.78794754 0.2943778340H21 1.78794754 2.459596870H22 1.3894192 1.769325490H23 3.40296125 -0.3130126890H24 1.78794754 -0.5404032470H25 1.3894192 -1.230674510H26 1.3894192 -2.015350820H27 1.78794754 -2.70562220H28 2.86602545 -3.243012670H29 3.94410348 -2.70562220H30 4.34263182 -2.015350820H31 4.34263182 -1.230674510H32 3.94410324 -0.540403247033                     0H00000000-0000-0000-0000-000000000000߼EG^=޵M jfm@} O40NƳE?B} Z644708600^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=42954342)3˙FWd-Ͼ(U/|GaC V"<׵C@j A@*̟ŗNoneMcK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=42954342Y*LH{,Enamine Screening Compounds[[DD̍Wi C13H24N2e1\@,Wʹu4O}8V570G5ҊUIxvJ`i Z644708600q!:BJS\ 42954342뒣Am`$v preferred'OB@{P̑LOYi,C=CCN1CCC(CC1)N1CCCCC1*OSA$447754f6-4b7d-406d-b930-746c27befe5a39C1 3.7320509-3.750C2 3.7320509-2.750C3 2.86602545-2.250N4 2.86602545-1.250C52-0.750C620.250C7 2.866025450.750C8 3.73205090.250C9 3.7320509-0.750 N10 2.866025451.750 C11 3.73205092.250 C12 3.73205093.250 C13 2.866025453.750 C1423.250C1522.250H16 3.19511509 -4.059999940H17 4.2689867 -4.059999940H18 4.2689867 -2.440000060H19 2.25544453 -2.142338040H20 2.65397286 -2.832609420H21 1.3894192 -0.6423381570H22 1.78794754 -1.332609420H23 1.78794754 0.8326094150H24 1.3894192 0.1423381270H25 3.40296125 1.060000060H26 4.34263182 0.1423381270H27 3.94410348 0.8326094150H28 3.94410348 -1.332609420H29 4.34263182 -0.6423381570H30 3.94410348 1.667390580H31 4.34263182 2.357661960H32 4.34263182 3.142338040 H33 3.94410348 3.832609420!H34 3.26455379 4.224947450"H35 2.46749711 4.224947450#H36 1.78794754 3.832609420$H37 1.3894192 3.142338040%H38 1.3894192 2.357661960&H39 1.78794754 1.66739058040               ! !" "# #$ $%%&&'0H00000000-0000-0000-0000-000000000000dACc jfm@} O119NƳE?B}1-Methyl-4-(piperidin-1-yl)-piperidine-4-carbonitrile, 1-methyl-4-(piperidin-1-yl)piperidine-4-carbonitrile, 133837, F8880-3274, L21216, STK361568^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=17928739)3˙FWd-Ͼ(U?/|GaC V"@A<׵C@iA@*̟ŗ MFCD10005380McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=17928739Y*LH{, Vitas M Labs[[DD̍Wi C12H21N3e1\@,W 91859-02-8ʹu4O}8V570G5ҊUImgxvJ`i STK361568q!:BJS\ 17928739뒣Am`$v preferred'OB@{USDP̑LOYi0N#CC1(CCN(CC1)C)N1CCCCC1OSA$ea37bc05-1f4c-4c99-9f1a-b14e032295d136N15 1.933012720C24.5 1.066987280C34 0.2009618880C4 3.13397455 -0.2990381120C5 3.13397455 -1.299038050N64 -1.799038050C7 4.86602545 -1.299038050C8 4.86602545 -0.2990381120C94 -2.799038170 N103.5 1.066987280 C114 1.933012720 C123.5 2.799038170 C132.5 2.799038170 C142 1.933012720C152.5 1.066987280H16 2.92192197 0.2835713030H17 2.52339363 -0.4066999850H18 2.52339363 -1.191376210H19 2.92192197 -1.881647470H20 5.07807779 -1.881647470H21 5.47660637 -1.191376210H22 5.47660637 -0.4066999850H23 5.07807779 0.2835713030H24 3.38000011 -2.799038170H254 -3.419038060H26 4.61999989 -2.799038170H27 4.47494745 1.534484390H28 4.47494745 2.331541060H29 4.08260965 3.011090760H30 3.39233804 3.409619090H31 2.60766196 3.409619090H32 1.91739058 3.011090760 H33 1.52505243 2.331541060!H34 1.52505243 1.534484390"H35 1.91739058 0.8549348120#H36 2.60766196 0.456406474037                  ! !""##$0H00000000-0000-0000-0000-000000000000@Hs jfm@} O1296NƳE?B}=4-ethenyl-4-(3-methylpiperidin-1-yl)piperidine, EN300-336701^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=106519817)3˙FWd-Ͼ(U@Y/|GaC V"@u<׵C@j A@*̟ŗ MFCD30498546McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=106519817Y*LH{,Enamine BB - UA Backorder[[DD̍Wi C13H24N2e1\@,Wʹu4O}85?8 OSA$c27364f0-d912-4f25-9e45-88f75775959e39C15.5 0.4439746140C24.5 0.4439746140C34 -0.4220508040C4 3.13397503 -0.9220507740C5 3.13397503 -1.922050950N64 -2.422050950C7 4.86602497 -1.922050950C8 4.86602497 -0.9220507740 N93.5 0.4439746140 C102.5 0.4439746140 C112 1.309999940 C122.5 2.176024910 C133.5 2.176024910C144 1.309999940C154 3.042051080H16 5.80999994 -0.09296116230H17 5.80999994 0.980910420H18 4.19000006 0.980910420H19 2.92192197 -0.3394413890H20 2.52339411 -1.029713030H21 2.52339411 -1.814388990H22 2.92192197 -2.504659890H234 -3.042051080H24 5.07807779 -2.504659890H25 5.47660589 -1.814388990H26 5.47660589 -1.029713030H27 5.07807779 -0.3394413890H28 1.91739094 0.2319221050H29 2.60766196 -0.1666062030H30 1.52505195 1.708528040H31 1.52505195 0.9114716050 H32 2.60766196 2.786606070!H33 1.91739094 2.388077970"H34 4.11999989 2.176024910#H35 4.47494698 0.9114716050$H36 4.47494698 1.708528040%H37 4.53693581 2.73205090&H38 4.30999994 3.578986880'H39 3.46306396 3.35205102040                 ! " !# "$ #%$&%'&(0038543210151617762324252689101112133435143637383331322930272818192021394534231201015016117276756623624725726288991010111112121381313341335121414361437143812331131113210291030927928318319420421V570G5ҊUImgxvJ`i EN300-336701q!:BJS\ 106519817뒣Am`$v preferred'OB@{USDP̑LOYi0C=CC1(CCNCC1)N1CCCC(C1)C`OSA$c27364f0-d912-4f25-9e45-88f75775959e39C15.5 0.4439745840C24.5 0.4439745840C34 -0.4220508040C4 3.13397455 -0.9220508340C5 3.13397455 -1.922050830N64 -2.422050710C7 4.86602545 -1.922050830C8 4.86602545 -0.9220508340N93.5 0.4439745840 C102.5 0.4439745840 C112 1.309999940 C122.5 2.176025390 C133.5 2.176025390 C144 1.309999940C154 3.042050840H16 5.80999994 -0.09296116230H17 5.80999994 0.9809103610H18 4.19000006 0.9809103610H19 2.92192197 -0.3394414190H20 2.52339363 -1.029712680H21 2.52339363 -1.814388990H22 2.92192221 -2.504660370H234 -3.042050840H24 5.07807779 -2.504660370H25 5.47660637 -1.814388990H26 5.47660637 -1.029712680H27 5.07807779 -0.3394414190H28 1.91739058 0.2319220750H29 2.60766196 -0.1666062180H30 1.52505243 1.708528280H31 1.52505243 0.9114716050H32 2.60766196 2.786606310 H33 1.91739058 2.388077970!H34 4.11999989 2.176025390"H35 4.47494745 0.9114716050#H36 4.47494745 1.708528280$H37 4.53693581 2.73205090%H38 4.30999994 3.578986640&H39 3.46306419 3.35205078040                  ! !" "# #$$%%&&'0H00000000-0000-0000-0000-000000000000-{Lf\S jfm@} O1296NƳE?B}81-(4-ethenylpiperidin-4-yl)piperidin-4-ol, EN300-336712^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=106519845)3˙FWd-Ͼ(U@Y/|GaC V"@u<׵C@jJA@*̟ŗ MFCD30498555McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=106519845Y*LH{,Enamine BB - UA Backorder[[DD̍Wi C12H22N2Oe1\@,Wʹu4O}86?8 OSA$8d3caffd-75d7-4d95-8de0-887fa34c3b7c37C1 6.11999989 0.4439746140C2 5.11999989 0.4439746140C3 4.61999989 -0.4220508040C4 3.75397491 -0.9220507740C5 3.75397491 -1.922050950N6 4.61999989 -2.422050950C7 5.48602486 -1.922050950C8 5.48602486 -0.9220507740 N9 4.11999989 0.4439746140 C10 4.61999989 1.309999940 C11 4.11999989 2.176024910 C12 3.11999989 2.176024910 C13 2.61999989 1.309999940C14 3.11999989 0.4439746140O15 2.61999989 3.042051080H16 6.42999983 -0.09296116230H17 6.42999983 0.980910420H18 4.80999994 0.980910420H19 3.54192209 -0.3394413890H20 3.14339399 -1.029713030H21 3.14339399 -1.814388990H22 3.54192209 -2.504659890H23 4.61999989 -3.042051080H24 5.69807816 -2.504659890H25 6.09660578 -1.814388990H26 6.09660578 -1.029713030H27 5.69807816 -0.3394413890H28 5.09494686 0.9114716050H29 5.09494686 1.708528040H30 4.70261002 2.388077970H31 4.01233816 2.786606070 H322.5 2.176024910!H33 2.14505196 1.708528040"H34 2.14505196 0.9114716050#H35 2.53738999 0.2319221050$H36 3.22766209 -0.1666062030%H372 3.04205108038                 ! " !# "$ #%$&0036543210151617762324252689101112133435323314363129302728181920213745342312010150161172767566236247257262889910101111121213813133413351232123311141436113110291030927928318319420421V570G5ҊUImgxvJ`i EN300-336712q!:BJS\ 106519845뒣Am`$v preferred'OB@{USDP̑LOYi0C=CC1(CCNCC1)N1CCC(CC1)OCOSA$8d3caffd-75d7-4d95-8de0-887fa34c3b7c37C1 6.11999989 0.4439745840C2 5.11999989 0.4439745840C3 4.61999989 -0.4220508040C4 3.75397468 -0.9220508340C5 3.75397468 -1.922050830N6 4.61999989 -2.422050710C7 5.48602533 -1.922050830C8 5.48602533 -0.9220508340N9 4.11999989 0.4439745840 C10 4.61999989 1.309999940 C11 4.11999989 2.176025390 C12 3.11999989 2.176025390 C13 2.61999989 1.309999940 C14 3.11999989 0.4439745840O15 2.61999989 3.042050840H16 6.42999983 -0.09296116230H17 6.42999983 0.9809103610H18 4.80999994 0.9809103610H19 3.54192209 -0.3394414190H20 3.14339375 -1.029712680H21 3.14339375 -1.814388990H22 3.54192209 -2.504660370H23 4.61999989 -3.042050840H24 5.69807768 -2.504660370H25 6.09660625 -1.814388990H26 6.09660625 -1.029712680H27 5.69807768 -0.3394414190H28 5.09494734 0.9114716050H29 5.09494734 1.708528280H30 4.70260954 2.388077970H31 4.01233816 2.786606310H322.5 2.176025390 H33 2.14505243 1.708528280!H34 2.14505243 0.9114716050"H35 2.53739047 0.2319220750#H36 3.22766185 -0.1666062180$H372 3.04205084038                  ! !" "# #$$%0H00000000-0000-0000-0000-000000000000l0JFLm  jfm@} O729NƳE?B}81-(1-methylpiperidin-4-yl)piperidin-4-one, EN300-100274^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=37629930)3˙FWd-Ͼ(U?/|GaC V"@<׵C@h?A@*̟ŗ MFCD12167323McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=37629930Y*LH{,Enamine BB - EU Stock[[DD̍Wi C11H20N2Oe1\@,W 1096339-75-1ʹu4O}8V570G5ҊUIgxvJ`i EN300-100274q!:BJS\ 37629930뒣Am`$v preferred'OB@{USDP̑LOYi.CN1CCC(CC1)N1CCC(=O)CC1OSA$6532fe0d-8236-4a5c-ac8a-4e33058e5db334C1 2.86602545-3.50N2 2.86602545-2.50C32-20C42-10C5 2.86602545-0.50C6 3.7320509-10C7 3.7320509-20N8 2.866025450.50C9 3.732050910 C10 3.732050920 C11 2.866025452.50 O12 2.866025453.50 C13220 C14210H15 2.24602556-3.50H16 2.86602545 -4.119999890H17 3.48602533-3.50H18 1.3894192 -1.892338160H19 1.78794754 -2.582609420H20 1.78794754 -0.4173905850H21 1.3894192 -1.107661840H22 3.40296125 -0.1899999980H23 4.34263182 -1.107661840H24 3.94410348 -0.4173905850H25 3.94410348 -2.582609420H26 4.34263182 -1.892338160H27 3.94410348 0.4173905850H28 4.34263182 1.107661840H29 4.34263182 1.892338160H30 3.94410348 2.582609420H31 1.78794754 2.582609420H32 1.3894192 1.892338160 H33 1.3894192 1.107661840!H34 1.78794754 0.417390585035               ! !"0H00000000-0000-0000-0000-000000000000:@tI jfm@} O1296NƳE?B}54-ethenyl-4-(piperidin-1-yl)piperidine, EN300-336715^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=106519854)3˙FWd-Ͼ(U@Y/|GaC V"@u<׵C@hJA@*̟ŗ MFCD30498558McK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=106519854Y*LH{,Enamine BB - UA Backorder[[DD̍Wi C12H22N2e1\@,Wʹu4O}87?8 JOSA$af201834-c702-48a2-9a21-c530b538c3ca36C15.5 0.8769872780C24.5 0.8769872780C34 0.01096189020C4 3.13397503 -0.489038110C5 3.13397503 -1.489037990N64 -1.989037990C7 4.86602497 -1.489037990C8 4.86602497 -0.489038110 N93.5 0.8769872780 C104 1.743013020 C113.5 2.609038110 C122.5 2.609038110 C132 1.743013020C142.5 0.8769872780H15 5.80999994 0.3400515020H16 5.80999994 1.413923030H17 4.19000006 1.413923030H18 2.92192197 0.09357132020H19 2.52339411 -0.5967000130H20 2.52339411 -1.381376030H21 2.92192197 -2.071647880H224 -2.609038110H23 5.07807779 -2.071647880H24 5.47660589 -1.381376030H25 5.47660589 -0.5967000130H26 5.07807779 0.09357132020H27 4.47494698 1.344483970H28 4.474946982.1415410H29 4.08261013 2.821090940H30 3.39233804 3.219619040H31 2.60766196 3.219619040 H32 1.91739094 2.821090940!H33 1.525051952.1415410"H34 1.52505195 1.344483970#H35 1.91739094 0.6649348140$H36 2.60766196 0.266406506037                 ! " !# "$ #%0035543210141516762223242589101112133435323330312829262717181920364534231201014015116276756622623724725288991010111112121381313341335123212331130113110281029926927317318419420V570G5ҊUImgxvJ`i EN300-336715q!:BJS\ 106519854뒣Am`$v preferred'OB@{USDP̑LOYi*C=CC1(CCNCC1)N1CCCCC1OSA$af201834-c702-48a2-9a21-c530b538c3ca36C15.5 0.8769872780C24.5 0.8769872780C34 0.01096189390C4 3.13397455 -0.489038110C5 3.13397455 -1.489038110N64 -1.989038110C7 4.86602545 -1.489038110C8 4.86602545 -0.489038110N93.5 0.8769872780 C104 1.743012670 C113.5 2.609038110 C122.5 2.609038110 C132 1.743012670 C142.5 0.8769872780H15 5.80999994 0.3400515320H16 5.80999994 1.413923030H17 4.19000006 1.413923030H18 2.92192197 0.09357132020H19 2.52339363 -0.5966999530H20 2.52339363 -1.381376270H21 2.92192197 -2.071647640H224 -2.609038110H23 5.07807779 -2.071647640H24 5.47660637 -1.381376270H25 5.47660637 -0.5966999530H26 5.07807779 0.09357132020H27 4.47494745 1.344484330H28 4.474947452.1415410H29 4.08260965 2.82109070H30 3.39233804 3.219619040H31 2.60766196 3.219619040H32 1.91739058 2.82109070 H33 1.525052432.1415410!H34 1.52505243 1.344484330"H35 1.91739058 0.6649348140#H36 2.60766196 0.266406476037                  ! !" "# #$0H00000000-0000-0000-0000-000000000000'i6yK`E jfm@} O1391NƳE?B}:1-(1-methylpiperidin-4-yl)piperidin-3-one, IMED2591838588^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114614262)3˙FWd-Ͼ(U?/|GaC V"@t<׵C@h?A@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114614262Y*LH{,Intermed - BB[[DD̍Wi C11H20N2Oe1\@,Wʹu4O}8V570G5ҊUIgxvJ`iIMED2591838588q!:BJS\ 114614262뒣Am`$v nonpreferred'OB@{USDP̑LOYi.CN1CCC(CC1)N1CCCC(=O)C1OSA$8a623b80-7e70-4829-a5e9-30c92c414ae834C1 2.86602545-30N2 2.86602545-20C32-1.50C42-0.50C5 2.86602545-8.8817842e-0160C6 3.7320509-0.50C7 3.7320509-1.50N8 2.8660254510C921.50 C1022.50 C11 2.8660254530 C12 3.73205092.50 O13 4.5980763430 C14 3.73205091.50H15 2.24602556-30H16 2.86602545 -3.619999890H17 3.48602533-30H18 1.3894192 -1.392338160H19 1.78794754 -2.082609420H20 1.78794754 0.082609430H21 1.3894192 -0.6076618430H22 3.40296125 0.3100000020H23 4.34263182 -0.6076618430H24 3.94410348 0.082609430H25 3.94410348 -2.082609420H26 4.34263182 -1.392338160H27 1.3894192 1.607661840H28 1.78794754 0.9173905850H29 1.78794754 3.082609420H30 1.3894192 2.392338040H31 3.26455379 3.474947450H32 2.46749711 3.474947450 H33 3.94410348 0.9173905850!H34 4.34263182 1.60766184035               ! !"0H00000000-0000-0000-0000-000000000000o/RnC5. 8Me jfm@} O1391NƳE?B}=2-(piperidin-4-yl)-2-azabicyclo[2.2.2]octane, IMED2182171638^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114589592)3˙FWd-Ͼ(U?/|GaC V"@H<׵C@hJA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114589592Y*LH{,Intermed - BB[[DD̍Wi C12H22N2e1\@,Wʹu4O}88?8 OSA$704b3ff7-26ce-4b45-a782-6db4427380f136N1 2.57357597 -2.531799080C2 3.56977105 -2.444643020C3 3.99238896 -1.538336040C4 3.41881299 -0.7191833850C5 2.42261791 -0.8063392040C62 -1.712646960N7 3.8414309 0.1871242970C8 3.49941111 1.126816990 C9 5.47295618 1.745069980 C10 6.871893881.2362510 C11 6.61307478 0.2703253920 C12 5.21413708 0.7791445260 C134.236341 2.593709950C14 5.10236597 3.093709950H152.311553 -3.093709950H16 3.51573396 -3.062283990H17 4.16864491 -2.605110880H18 4.50026417 -1.893952970H19 4.43079615 -1.099928980H20 4.0364542 -0.6651468870H21 2.47665501 -0.18869850H22 1.82374406 -0.645871520H23 1.49212599 -1.357030030H24 1.56159401 -2.151052950H25 3.30511808 1.715587020H26 2.91365409 0.923620820H27 5.92868519 2.165441040H28 7.465860841.0584780H29 7.06682396 1.824810980H30 6.41814518 -0.3182339970H31 7.20704222 0.09255169330 H32 5.61953878 1.248237970!H33 3.93160892 3.133652930"H34 3.69344306 2.294274090#H35 5.68407011 3.308233980$H36 4.83915091 3.65506291038                ! " # !$ "% #&003501234522232021678910111213343532333129302728262425191718151637011223344505522523420421366778899101011611111212138131334133512321233113110291030927928826724725319217218115116V570G5ҊUIgxvJ`iIMED2182171638q!:BJS\ 114589592뒣Am`$v nonpreferred'OB@{USDP̑LOYi,N1CCC(CC1)N1CC2CCC1CC2OSA$704b3ff7-26ce-4b45-a782-6db4427380f136N1 2.57357645 -2.531799080C2 3.56977105 -2.444643260C3 3.99238944 -1.538335560C4 3.41881299 -0.7191834450C5 2.42261815 -0.8063392040C62 -1.712646960N7 3.84143114 0.1871243270C8 3.49941111 1.126816990C9 5.4729557 1.745070340 C10 6.87189388 1.236251240 C11 6.61307526 0.2703254220 C12 5.2141366 0.7791444660 C134.236341 2.593709950 C14 5.10236645 3.093709950H152.311553 -3.093709950H16 3.51573443 -3.062283990H17 4.16864491 -2.605111120H18 4.50026369 -1.893952970H19 4.43079567 -1.099929330H20 4.03645372 -0.6651468870H21 2.47665477 -0.1886984850H22 1.82374418 -0.645871460H23 1.49212575 -1.357029560H24 1.56159377 -2.151053190H25 3.30511785 1.715587020H26 2.91365409 0.923620760H27 5.92868471 2.165440560H28 7.46586084 1.058477520H29 7.06682396 1.824810620H30 6.41814518 -0.3182339970H31 7.20704222 0.09255169330H32 5.61953926 1.248238090 H33 3.93160868 3.133652690!H34 3.69344282 2.294274330"H35 5.68407011 3.308234450#H36 4.83915091 3.65506315038                 ! " !# "$ #%0H00000000-0000-0000-0000-000000000000{(/KF ܰZܙC jfm@} O1391NƳE?B}<1-(piperidin-4-yl)piperidine-3-carbonitrile, IMED2582913789^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114572812)3˙FWd-Ͼ(U?/|GaC V"@<׵C@h)?A@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114572812Y*LH{,Intermed - BB[[DD̍Wi C11H19N3e1\@,Wʹu4O}89?8OSA$b2f1babc-2061-41f2-9776-71e351e7762833N12 3.059999940C2 2.86602497 2.559999940C3 3.7320509 2.059999940C4 4.59807587 2.559999940C5 5.46410179 2.059999940C6 5.46410179 1.059999940N7 4.59807587 0.5600000020C8 3.7320509 1.059999940 C9 4.59807587 -0.4399999980 C10 3.7320509 -0.9399999980 C11 3.7320509 -1.940000060 N12 4.59807587 -2.440000060 C13 5.46410179 -1.940000060C14 5.46410179 -0.9399999980H15 3.7320509 2.680000070H16 4.99660397 3.034946920H17 4.19954777 3.034946920H18 6.07468319 1.952337980H19 5.67615414 2.642608880H20 5.67615414 0.4773904980H21 6.07468319 1.167662020H22 3.12146997 1.167662020H23 3.51999903 0.4773904980H24 5.13501215 -0.1299999950H25 3.51999807 -0.3573906120H26 3.12146997 -1.047662020H27 3.12146997 -1.832337980H28 3.51999807 -2.5226090H29 4.59807587 -3.059999940H30 5.67615414 -2.5226090H31 6.07468319 -1.832337980 H32 6.07468319 -1.047662020!H33 5.67615414 -0.357390612034                   ! "00321110986543210721221415161718192013122930313223242526273310119108968564534231201276772172221431531641741851952081312131112122912301331133282392492510261027V570G5ҊUIgxvJ`iIMED2582913789q!:BJS\ 114572812뒣Am`$v nonpreferred'OB@{USDP̑LOYi*N#CC1CCCN(C1)C1CCNCC1[OSA$b2f1babc-2061-41f2-9776-71e351e7762833N12 3.059999940C2 2.86602545 2.559999940C3 3.7320509 2.059999940C4 4.59807634 2.559999940C5 5.46410179 2.059999940C6 5.46410179 1.059999940N7 4.59807634 0.5600000020C8 3.7320509 1.059999940C9 4.59807634 -0.4399999980 C10 3.7320509 -0.9399999980 C11 3.7320509 -1.940000060 N12 4.59807634 -2.440000060 C13 5.46410179 -1.940000060 C14 5.46410179 -0.9399999980H15 3.7320509 2.679999830H16 4.99660444 3.03494740H17 4.19954824 3.03494740H18 6.07468271 1.95233810H19 5.67615414 2.642609360H20 5.67615414 0.4773904980H21 6.07468271 1.167661790H22 3.12146997 1.167661790H23 3.51999855 0.4773904980H24 5.13501215 -0.1299999950H25 3.51999831 -0.3573905830H26 3.12146997 -1.04766190H27 3.12146997 -1.832338210H28 3.51999831 -2.522609470H29 4.59807634 -3.059999940H30 5.67615414 -2.522609470H31 6.07468271 -1.832338210H32 6.07468271 -1.04766190 H33 5.67615414 -0.357390583034                    !0H00000000-0000-0000-0000-000000000000pLƩj3\ jfm@} O1391NƳE?B}95-(piperidin-4-yl)-5-azaspiro[2.5]octane, IMED2583189728^GP~ܛr@!i_yc@e xhttps://www.emolecules.com/cgi-bin/find?id=114589160)3˙FWd-Ͼ(U?/|GaC V"@<׵C@hJA@*̟ŗNoneMcK}RA zhttps://www.emolecules.com/cgi-bin/more?vid=114589160Y*LH{,Intermed - BB[[DD̍Wi C12H22N2e1\@,Wʹu4O}90?8 OSA$465b9009-71cb-44de-8465-54257451699f36N1 2.53693604 1.683012960C2 2.53693604 0.6830127240C3 3.40296102 0.1830126940C4 4.26898718 0.6830127240C5 4.26898718 1.683012960C6 3.40296102 2.183012960N7 5.13501215 0.1830126940C8 6.00103807 0.6830127240 C9 6.86706305 0.1830126940 C10 6.86706305 -0.8169872760 C11 6.00103807 -1.316987040 C12 5.13501215 -0.8169872760 C13 6.50103807 -2.183012960C14 5.50103807 -2.183012960H152 1.993013020H161.926355 0.7906746270H17 2.32488298 0.1004033010H18 3.00443292 -0.2919347880H19 3.80149007 -0.2919347880H20 4.26898718 0.06301272660H21 4.87956811.5753510H22 4.48103905 2.26562190H23 3.80149007 2.657959940H24 3.00443292 2.657959940H25 6.39956617 1.157960060H26 5.60250902 1.157960060H27 7.47764301 0.07535079120H28 7.07911491 0.7656220790H29 7.07911491 -1.399597050H30 7.47764301 -0.7093253730H31 4.52443123 -0.7093253730 H32 4.9229598 -1.399597050!H33 6.60869884 -2.793593880"H34 7.08364677 -1.970960020#H35 4.91842794 -1.970960020$H36 5.39337587 -2.79359388038               ! " # !$ "% #&003501234522232021678910113031121334353233282926272425191718151637011223344505522523420421366778899101011611113011311012121310131334133512321233928929826827724725319217218115116V570G5ҊUIgxvJ`iIMED2583189728q!:BJS\ 114589160뒣Am`$v nonpreferred'OB@{USDP̑LOYi0N1CCC(CC1)N1CCCC2(C1)CC2OSA$465b9009-71cb-44de-8465-54257451699f36N1 2.53693581 1.683012720C2 2.53693581 0.6830127240C3 3.40296125 0.1830127090C4 4.2689867 0.6830127240C5 4.2689867 1.683012720C6 3.40296125 2.183012720N7 5.13501215 0.1830127090C8 6.0010376 0.6830127240C9 6.86706257 0.1830127090 C10 6.86706257 -0.8169872760 C11 6.0010376 -1.316987280 C12 5.13501215 -0.8169872760 C13 6.5010376 -2.183012720 C14 5.5010376 -2.183012720H152 1.993012670H161.926355 0.7906745670H17 2.32488322 0.1004032940H18 3.00443292 -0.2919348480H19 3.80148959 -0.2919348480H20 4.2689867 0.06301272660H21 4.87956762 1.575350880H22 4.48103905 2.265622140H23 3.80148959 2.657960180H24 3.00443292 2.657960180H25 6.39956617 1.157960180H26 5.6025095 1.15796030H27 7.47764349 0.07535079120H28 7.07911491 0.7656220790H29 7.07911491 -1.399596690H30 7.47764349 -0.7093253730H31 4.52443123 -0.7093254330H32 4.9229598 -1.399596690 H33 6.60869932 -2.793593650!H34 7.08364725 -1.970960260"H35 4.91842794 -1.970960260#H36 5.39337587 -2.79359365038                ! " !# "$ #%0H00000000-0000-0000-0000-000000000000x@">R% jfm@} O729NƳE?B}P1-(piperidin-4-yl)piperidine-2,6-dione, EN300-154097, PB1728707074, Z1728629606^GP~ܛr?!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=38227665)3˙FWd-Ͼ(U?/|GaC V"@<׵C@h@A@*̟ŗ MFCD14626745McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=38227665Y*LH{,Enamine BB - EU Stock[[DD̍Wi C10H16N2O2e1\@,W 75483-36-2ʹu4O}91?8OSA$1d135e1b-e79f-4063-8af8-42494ce9996a30O12 0.8100000020C2 2.86602497 1.309999940C3 2.86602497 2.309999940C4 3.7320509 2.809999940C5 4.59807587 2.309999940C6 4.59807587 1.309999940O7 5.46410179 0.8100000020N8 3.7320509 0.8100000020 C9 3.7320509 -0.1899999980 C10 2.86602497 -0.6899999980 C11 2.86602497 -1.690000060 N12 3.7320509 -2.190000060 C13 4.59807587 -1.690000060C14 4.59807587 -0.6899999980H15 2.6539731 2.892608880H162.255445 2.202337980H17 4.13057899 3.284946920H18 3.33352304 3.284946920H19 5.20865679 2.202337980H20 4.81012917 2.892608880H21 4.26898718 0.1199999970H22 2.6539731 -0.1073905970H232.255445 -0.7976617810H242.255445 -1.582337980H25 2.6539731 -2.2726090H26 3.7320509 -2.809999940H27 4.81012917 -2.2726090H28 5.20865679 -1.582337980H29 5.20865679 -0.7976617810H30 4.81012917 -0.107390597031                    00291110987543210141516171819613122627282920212223243010119108978574534231201172142153163174184195681312131112122612271328132982092192210231024V570G5ҊUIgxvJ`i EN300-154097q!:BJS\ 38227665뒣Am`$v preferred'OB@{USDP̑LOYi,O=C1CCCC(=O)N1C1CCNCC1OSA$1d135e1b-e79f-4063-8af8-42494ce9996a30O12 0.8100000020C2 2.86602545 1.309999940C3 2.86602545 2.309999940C4 3.7320509 2.809999940C5 4.59807634 2.309999940C6 4.59807634 1.309999940O7 5.46410179 0.8100000020N8 3.7320509 0.8100000020C9 3.7320509 -0.1899999980 C10 2.86602545 -0.6899999980 C11 2.86602545 -1.690000060 N12 3.7320509 -2.190000060 C13 4.59807634 -1.690000060 C14 4.59807634 -0.6899999980H15 2.65397286 2.892609360H16 2.25544453 2.202337980H17 4.13057899 3.28494740H18 3.33352256 3.28494740H19 5.20865726 2.202337980H20 4.81012869 2.892609360H21 4.2689867 0.1200000050H22 2.65397286 -0.1073905680H23 2.25544453 -0.7976618410H24 2.25544453 -1.582338210H25 2.65397286 -2.272609470H26 3.7320509 -2.809999940H27 4.81012869 -2.272609470H28 5.20865726 -1.582338210H29 5.20865726 -0.7976618410H30 4.81012869 -0.107390568031                    0H00000000-0000-0000-0000-0000000000002(YE3:* jfm@} O1312NƳE?B}l1-(piperidin-4-yl)piperidine-4-carbonitrile, [1,4'-bipiperidine]-4-carbonitrile, F1907-8595, IMED2582913838^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70102503)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@h)?A@*̟ŗ MFCD29999057McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70102503Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C11H19N3e1\@,Wʹu4O}92?8OSA$8151f2a7-183e-4cb2-be1b-83f8e56ddb5d33N1 2.86602497 3.809999940C2 2.86602497 2.809999940C3 2.86602497 1.809999940C4 3.7320509 1.309999940C5 3.7320509 0.3100000020N6 2.86602497 -0.1899999980C72 0.3100000020C82 1.309999940 C9 2.86602497 -1.190000060 C102 -1.690000060 C112 -2.690000060 N12 2.86602497 -3.190000060 C13 3.7320509 -2.690000060C14 3.7320509 -1.690000060H15 3.40296102 2.119999890H16 4.34263182 1.202337980H173.9441031.8926090H183.944103 -0.2726094130H19 4.34263182 0.4176619050H20 1.38941896 0.4176619050H21 1.78794801 -0.2726094130H22 1.787948011.8926090H23 1.38941896 1.202337980H24 3.40296102 -0.8800001140H25 1.78794801 -1.1073910H26 1.38941896 -1.797662020H27 1.38941896 -2.582338090H28 1.78794801 -3.2726090H29 2.86602497 -3.809999940H303.944103 -3.2726090H31 4.34263182 -2.582338090 H32 4.34263182 -1.797662020!H333.944103 -1.107391034                   ! "00321110985432107619202122141516171813122930313223242526273310119108958453423120127675661962072172221431531641741881312131112122912301331133282392492510261027V570G5ҊUImgxvJ`i F1907-8595q!:BJS\ 70102503뒣Am`$v preferred'OB@{USDP̑LOYi*N#CC1CCN(CC1)C1CCNCC1@OSA$8151f2a7-183e-4cb2-be1b-83f8e56ddb5d33N1 2.86602545 3.809999940C2 2.86602545 2.809999940C3 2.86602545 1.809999940C4 3.7320509 1.309999940C5 3.7320509 0.3100000020N6 2.86602545 -0.1899999980C72 0.3100000020C82 1.309999940C9 2.86602545 -1.190000060 C102 -1.690000060 C112 -2.690000060 N12 2.86602545 -3.190000060 C13 3.7320509 -2.690000060 C14 3.7320509 -1.690000060H15 3.40296125 2.119999890H16 4.34263182 1.20233810H17 3.94410348 1.892609360H18 3.94410348 -0.2726094130H19 4.34263182 0.4176618750H20 1.3894192 0.4176618750H21 1.78794754 -0.2726094130H22 1.78794754 1.892609360H23 1.3894192 1.20233810H24 3.40296125 -0.8800000550H25 1.78794754 -1.107390640H26 1.3894192 -1.79766190H27 1.3894192 -2.582338090H28 1.78794754 -3.272609470H29 2.86602545 -3.809999940H30 3.94410348 -3.272609470H31 4.34263182 -2.582338090H32 4.34263182 -1.79766190 H33 3.94410348 -1.10739064034                    !0H00000000-0000-0000-0000-000000000000 HYI~L jfm@} O1312NƳE?B}>3-(piperidin-4-yl)-3-azabicyclo[3.1.1]heptan-6-ol, F1907-5991^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=70097331)3˙FWd-Ͼ(U@o@/|GaC V"@|<׵C@h?A@*̟ŗ MFCD29996508McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=70097331Y*LH{,Life Chemicals - UA Backorder[[DD̍Wi C11H20N2Oe1\@,Wʹu4O}93?8 ,OSA$624fa191-5689-4072-92ea-07146735a51234O1 9.81661224 -0.2366116940C2 8.85068703 0.02220734950C3 7.45174789 0.01338830960C4 6.23072481 -0.8522732260N5 5.40168715 -0.29308030C6 5.67732477 0.6681814190C77.710567 0.9793140890C8 6.97395277 1.961928010 C9 4.46199512 -0.6351004240 C10 3.69595003 0.007687199860 C11 2.75625801 -0.3343329130 N12 2.58260894 -1.319141030 C13 3.34865403 -1.961928010C14 4.28834581 -1.619907980H15 10.2550201 0.2017945050H16 8.77169895 -0.5927404760H17 7.83286715 0.5024166110H18 5.82488203 -1.320986030H19 6.64737988 -1.311401010H20 5.67227507 1.288161040H21 5.06301212 0.751967490H22 8.16087914 1.405482050H23 7.29175615 2.494282960H24 6.3608098 2.053884030H25 4.9369421 -1.033628940H26 4.17089796 0.4062154890H27 3.38595009 0.5446230170H28 2.64859605 0.2762478890H29 2.13625789 -0.3343330030H302 -1.531193020H31 2.8737061 -2.360455990 H32 3.65865397 -2.498863940!H33 4.39600801 -2.230489020"H34 4.90834618 -1.61990798036                 ! " # !$003311109843210146519207222321151617181312303132332425262728351011910894834231201014165645519520672772272362111521631731881312131112123012311332133382492592610271028V570G5ҊUImgxvJ`i F1907-5991q!:BJS\ 70097331뒣Am`$v preferred'OB@{USDP̑LOYi,OC1C2CN(CC1C2)C1CCNCC1OSA$624fa191-5689-4072-92ea-07146735a51234O1 9.81661224 -0.2366116940C2 8.85068703 0.02220735140C3 7.45174837 0.01338830590C4 6.23072481 -0.8522731660N5 5.40168715 -0.293080270C6 5.67732477 0.6681814190C7 7.71056747 0.9793141480C8 6.97395277 1.961928250C9 4.46199465 -0.6351004240 C10 3.69595027 0.007687200330 C11 2.75625753 -0.3343329430 N12 2.58260942 -1.319140670 C13 3.34865379 -1.961928250 C14 4.28834629 -1.619908210H15 10.2550192 0.2017945050H16 8.77169895 -0.5927404760H17 7.83286715 0.5024165510H18 5.82488155 -1.320985560H19 6.64737988 -1.311401130H20 5.67227459 1.28816080H21 5.06301212 0.7519675490H22 8.16087914 1.405482170H23 7.29175568 2.494282720H24 6.3608098 2.053884030H25 4.9369421 -1.033628820H26 4.17089796 0.4062154890H27 3.38595033 0.5446229580H28 2.64859557 0.2762478590H29 2.13625765 -0.3343329730H302 -1.531193140H31 2.87370634 -2.360456470H32 3.65865374 -2.498863940 H33 4.39600801 -2.230489020!H34 4.90834618 -1.61990833036                  ! " !#0H00000000-0000-0000-0000-000000000000L8Ms;TC jfm@} O261NƳE?B}2Methyl Aziridine-2-carboxylate (stabilized with HQ), METHYL AZIRIDINE-2-CARBOXYLATE, methyl (2R)-aziridine-2-carboxylate, Methyl aziridine-2-carboxylate, Methyl aziridine-2-carboxylate >97.(GC)(T), Aziridine-2-carboxylic acid methylester, Methyl Aziridine-2-carboxylate, Methyl aziridine-2-carboxylate >97.0percent(GC)(T), -, methyl aziridine-2-carboxylate, Aziridine-2-carboxylic acid methyl ester, FA147135, IBS-L0217964, 124356, ST-7117, U23254, A1207, AG200103, 86-53910, PB92038, AG166156, AN062103, AG003RZB, ALBB-031806, AS-37969, A-71990, 63227, ES09914^GP~ܛr@!i_yc@e thttps://www.emolecules.com/cgi-bin/find?id=6883807)3˙FWd-Ͼ(U@o@/|GaC V"@t<׵C@YF`A@*̟ŗ MFCD00143640McK}RA vhttps://www.emolecules.com/cgi-bin/more?vid=6883807Y*LH{,Biosynth Carbosynth[[DD̍WiC4H7NO2e1\@,W103539-32-8, 5950-34-5ʹu4O}94?8OSA$02575ddf-127f-4989-9531-4dae7c4a2cde14C12 -1.743013020O2 2.86602497 -1.243013020C3 2.86602497 -0.2430126970O42 0.2569873030C5 3.7320509 0.2569873030C6 4.7320509 0.2569873030N7 4.2320509 1.123013020H8 1.69000006 -1.206076980 H9 1.46306396 -2.053013090 H10 2.30999994 -2.2799480 H11 3.29364491 0.6953935030 H12 4.8397131 -0.3535934980 H13 5.31466103 0.4690397980H14 4.2320509 1.74301302014         001365421078931011121356452412010708092346410511512V570G5ҊUImgxvJ`i FA147135q!:BJS\6883807뒣Am`$v nonpreferred'OB@{USDP̑LOYiCOC(=O)C1CN1COC(=O)C1CN1-OSA$02575ddf-127f-4989-9531-4dae7c4a2cde14C12 -1.743012670O2 2.86602545 -1.243012670C3 2.86602545 -0.2430126970O42 0.2569873030C5 3.7320509 0.2569873030C6 4.7320509 0.2569873030N7 4.2320509 1.123012660H8 1.69000006 -1.206076860H9 1.46306419 -2.053012610 H10 2.30999994 -2.279948470 H11 3.29364467 0.6953935030 H12 4.83971262 -0.3535934980 H13 5.31466055 0.4690397980 H14 4.2320509 1.74301267014          0H00000000-0000-0000-0000-000000000000)}@,63o jfm@} O35NƳE?B};4,5,6,7-Tetrahydro-1h-pyrazolo[4,3-c]pyridin-3-ol, QC-1060^GP~ܛr@!i_yc@e vhttps://www.emolecules.com/cgi-bin/find?id=45989272)3˙FWd-Ͼ(U@o@/|GaC V"@i <׵C@ae`A@*̟ŗ MFCD11501667McK}RA xhttps://www.emolecules.com/cgi-bin/more?vid=45989272Y*LH{, Combi-Blocks[[DD̍WiC6H9N3Oe1\@,W 1093759-88-6ʹu4O}95?8&OSA$1ba7262f-9337-417a-9cea-d4fbf5279f5819O1 5.52586794 1.510725980C2 5.21520615 0.5602055790N3 5.79881477 -0.2445266990N4 5.21520615 -1.049258950H5 5.40781689 -1.638581990C6 4.26898718 -0.7445266840C7 3.40296102 -1.244526980C8 2.53693604 -0.7445266840 N9 2.53693604 0.2554732860 C10 3.40296102 0.7554733160 C11 4.26898718 0.2554732860 H12 6.13254213 1.638581990 H13 3.00443292 -1.719473960H14 3.80149007 -1.719473960H151.926355 -0.6368647810H16 2.32488298 -1.327136040H172 0.5654733180H18 3.80149007 1.230420950H19 3.00443292 1.23042095020              00188765321011109171841213141519786756352312010111109108991791851034612613714715V570G5ҊUImgxvJ`iQC-1060q!:BJS\ 45989272뒣Am`$v standard'OB@{USDP̑LOYi"Oc1n[nH]c2CCNCc12"C1CNCc2c1[nH]nc2OWOSA$1ba7262f-9337-417a-9cea-d4fbf5279f5819O1 5.52586842 1.510725980C2 5.21520615 0.5602056380N3 5.79881525 -0.2445266690N4 5.21520615 -1.049258950H5 5.40781689 -1.638581630C6 4.2689867 -0.7445266840C7 3.40296125 -1.244526620C8 2.53693581 -0.7445266840N9 2.53693581 0.2554733460 C10 3.40296125 0.7554733160 C11 4.2689867 0.2554733460 H12 6.13254213 1.638581630 H13 3.00443292 -1.71947420 H14 3.80148959 -1.71947420H151.926355 -0.6368648410H16 2.32488346 -1.327136160H172 0.5654733180H18 3.80148959 1.230420830H19 3.00443292 1.23042083020              0H00000000-0000-0000-0000-000000000000G>zBމ^2Library2Library #GD܇t877ZV%bKϯ_.V:cfĘ@9NE?GVg8 <Rule> <Column></Column> <UserCreated>0</UserCreated> <RemoveSalts>1</RemoveSalts> <UseFileDiagramCoords>True</UseFileDiagramCoords> <CombineConformers>False</CombineConformers> </Rule> </Rule> 80I{jg@6FlexX Score 2XJX XJX_A_1232CiHEADER CHAPERONE 06-JUL-10 2XJX TITLE STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 9-236; COMPND 5 SYNONYM: HSP90, HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA COMPND 6 ANTIGEN NY-REN-38; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS CHAPERONE, ATP BINDING DOMAIN, STRESS RESPONSE EXPDTA X-RAY DIFFRACTION AUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWAN, AUTHOR 2 J.E.COYLE,R.DOWNHAM,E.FIGUEROA,M.FREDERICKSON,B.GRAHAM,R.MCMENAMIN, AUTHOR 3 M.A.OBRIEN,S.PATEL,T.R.PHILLIPS,G.WILLIAMS,A.J.WOODHEAD, AUTHOR 4 A.J.A.WOOLFORD REVDAT 4 18-FEB-15 2XJX 1 AUTHOR HETNAM HETSYN FORMUL REVDAT 3 24-APR-13 2XJX 1 TITLE REMARK VERSN REVDAT 2 13-JUL-11 2XJX 1 JRNL REMARK REVDAT 1 11-AUG-10 2XJX 0 JRNL AUTH A.J.WOODHEAD,H.ANGOVE,M.G.CARR,G.CHESSARI,M.CONGREVE, JRNL AUTH 2 J.E.COYLE,J.COSME,B.GRAHAM,P.J.DAY,R.DOWNHAM,L.FAZAL, JRNL AUTH 3 R.FELTELL,E.FIGUEROA,M.FREDERICKSON,J.LEWIS,R.MCMENAMIN, JRNL AUTH 4 C.W.MURRAY,M.A.O'BRIEN,L.PARRA,S.PATEL,T.PHILLIPS,D.C.REES, JRNL AUTH 5 S.RICH,D.M.SMITH,G.TREWARTHA,M.VINKOVIC,B.WILLIAMS, JRNL AUTH 6 A.J.WOOLFORD JRNL TITL DISCOVERY OF (2,4-DIHYDROXY-5-ISOPROPYLPHENYL)-[5- JRNL TITL 2 (4-METHYLPIPERAZIN-1-YLMETHYL)-1,3-DIHYDROISOINDOL- JRNL TITL 3 2-YL]METHANONE (AT13387), A NOVEL INHIBITOR OF THE JRNL TITL 4 MOLECULAR CHAPERONE HSP90 BY FRAGMENT BASED DRUG DESIGN. JRNL REF J.MED.CHEM. V. 53 5956 2010 JRNL REFN ISSN 0022-2623 JRNL PMID 20662534 JRNL DOI 10.1021/JM100060B REMARK 2 REMARK 2 RESOLUTION. 1.66 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER-TNT 2.5.1 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK, REMARK 3 : MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.99 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.46 REMARK 3 NUMBER OF REFLECTIONS : 20155 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) : 0.1577 REMARK 3 R VALUE (WORKING SET) : 0.1550 REMARK 3 FREE R VALUE : 0.2076 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 REMARK 3 FREE R VALUE TEST SET COUNT : 1012 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 9 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 1.76 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.46 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 3164 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.1968 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3010 REMARK 3 BIN R VALUE (WORKING SET) : 0.1948 REMARK 3 BIN FREE R VALUE : 0.2332 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.87 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 154 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1765 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 30 REMARK 3 SOLVENT ATOMS : 198 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.279 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.03 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.08742065 REMARK 3 B22 (A**2) : 0.13840185 REMARK 3 B33 (A**2) : 0.94901880 REMARK 3 B12 (A**2) : 0.00000000 REMARK 3 B13 (A**2) : -6.93572824 REMARK 3 B23 (A**2) : 0.00000000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : NULL REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : NULL 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 : NULL REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : NULL ; NULL ; NULL REMARK 3 BOND ANGLES : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS : NULL ; NULL ; NULL REMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULL REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : NULL ; NULL ; NULL 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 : NULL ; NULL ; NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.394 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULL REMARK 3 OTHER TORSION ANGLES (DEGREES) : 16.228 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2XJX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-JUL-10. REMARK 100 THE PDBE ID CODE IS EBI-44517. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID23-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD (QUANTUM 315R) REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20868 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.66 REMARK 200 RESOLUTION RANGE LOW (A) : 43.99 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 200 DATA REDUNDANCY : 3.3 REMARK 200 R MERGE (I) : 0.06 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NONE REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 22.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.59 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 20.52500 REMARK 290 SMTRY3 2 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: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -12 REMARK 465 GLY A -11 REMARK 465 SER A -10 REMARK 465 SER A -9 REMARK 465 HIS A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 SER A -2 REMARK 465 SER A -1 REMARK 465 GLY A 0 REMARK 465 LEU A 1 REMARK 465 VAL A 2 REMARK 465 PRO A 3 REMARK 465 ARG A 4 REMARK 465 GLY A 5 REMARK 465 SER A 6 REMARK 465 HIS A 7 REMARK 465 MET A 8 REMARK 465 ASP A 9 REMARK 465 GLN A 10 REMARK 465 ASP A 232 REMARK 465 ASP A 233 REMARK 465 GLU A 234 REMARK 465 ALA A 235 REMARK 465 GLU A 236 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 MET A 12 -95.77 62.23 REMARK 500 THR A 94 41.19 -108.29 REMARK 500 ALA A 166 -141.17 65.43 REMARK 500 GLU A 178 107.58 -48.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE XJX A1232 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2CDD RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO- REMARK 900 BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H- REMARK 900 PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 1YES RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "OPEN REMARK 900 " CONFORMATION REMARK 900 RELATED ID: 1UY9 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1BYQ RELATED DB: PDB REMARK 900 HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG REMARK 900 RELATED ID: 2BSM RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1OSF RELATED DB: PDB REMARK 900 HUMAN HSP90 IN COMPLEX WITH 17-DESMETHOXY- REMARK 900 17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN REMARK 900 RELATED ID: 2WI3 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY8 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3- REMARK 900 TRIMETHOXY-BENZYL)-9H-PURIN-6YLAMINE REMARK 900 RELATED ID: 2BUG RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE TPR DOMAIN FROM REMARK 900 PROTEIN PHOSPHATASE 5 IN COMPLEX WITH HSP90 REMARK 900 DERIVED PEPTIDE REMARK 900 RELATED ID: 2WI4 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2UWD RELATED DB: PDB REMARK 900 INHIBITION OF THE HSP90 MOLECULAR CHAPERONE REMARK 900 IN VITRO AND IN VIVO BY NOVEL, SYNTHETIC REMARK 900 , POTENT RESORCINYLIC PYRAZOLE, ISOXAZOLE AMIDE REMARK 900 ANALOGS REMARK 900 RELATED ID: 2XHX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI7 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2BT0 RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1YER RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, " REMARK 900 CLOSED" CONFORMATION REMARK 900 RELATED ID: 2XDU RELATED DB: PDB REMARK 900 STRUCTUE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYG RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2BZ5 RELATED DB: PDB REMARK 900 STRUCTURE-BASED DISCOVERY OF A NEW CLASS REMARK 900 OF HSP90 INHIBITORS REMARK 900 RELATED ID: 2CCU RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4- REMARK 900 METHANESULPHONYL-BENZYL)-PIERAZIN-1-YL)-1H- REMARK 900 PYRAZOL-3-YL)-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 2XDS RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2XDX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2CCS RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN- REMARK 900 1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL REMARK 900 RELATED ID: 1UYF RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4- REMARK 900 YLNYL-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YC3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 1UYI RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1UYD RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2- REMARK 900 CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN- REMARK 900 6-YLAMINE REMARK 900 RELATED ID: 2BYI RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2XDL RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI2 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY6 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2VCI RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 2WI1 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2VCJ RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 1YC4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2C2L RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE CHIP U-BOX E3 REMARK 900 UBIQUITIN LIGASE REMARK 900 RELATED ID: 2FWZ RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H71 REMARK 900 RELATED ID: 2XDK RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYH RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 2XJG RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYK RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2CCT RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 5-(5-CHLORO-2,4- REMARK 900 DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL-2H- REMARK 900 PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE REMARK 900 RELATED ID: 2FWY RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H64 REMARK 900 RELATED ID: 1UYL RELATED DB: PDB REMARK 900 STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE- REMARK 900 BASED INHIBITOR BINDING TO HSP90 ISOFORMS REMARK 900 RELATED ID: 1UYE RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2WI6 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XAB RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND REMARK 900 RELATED ID: 1YC1 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2XHR RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYC RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2XHT RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UY7 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(4- REMARK 900 METHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YET RELATED DB: PDB REMARK 900 GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN- REMARK 900 BINDING DOMAIN REMARK 900 RELATED ID: 2JJC RELATED DB: PDB REMARK 900 HSP90 ALPHA ATPASE DOMAIN WITH BOUND SMALL REMARK 900 MOLECULE FRAGMENT REMARK 900 RELATED ID: 2BYH RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2WI5 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XJJ RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND DBREF 2XJX A 9 236 UNP P07900 HS90A_HUMAN 9 236 SEQADV 2XJX MET A -12 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A -11 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -10 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -9 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -8 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -7 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -5 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -4 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -3 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -2 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -1 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 0 UNP P07900 EXPRESSION TAG SEQADV 2XJX LEU A 1 UNP P07900 EXPRESSION TAG SEQADV 2XJX VAL A 2 UNP P07900 EXPRESSION TAG SEQADV 2XJX PRO A 3 UNP P07900 EXPRESSION TAG SEQADV 2XJX ARG A 4 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 5 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A 6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A 7 UNP P07900 EXPRESSION TAG SEQADV 2XJX MET A 8 UNP P07900 EXPRESSION TAG SEQRES 1 A 249 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 249 LEU VAL PRO ARG GLY SER HIS MET ASP GLN PRO MET GLU SEQRES 3 A 249 GLU GLU GLU VAL GLU THR PHE ALA PHE GLN ALA GLU ILE SEQRES 4 A 249 ALA GLN LEU MET SER LEU ILE ILE ASN THR PHE TYR SER SEQRES 5 A 249 ASN LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN SER SEQRES 6 A 249 SER ASP ALA LEU ASP LYS ILE ARG TYR GLU SER LEU THR SEQRES 7 A 249 ASP PRO SER LYS LEU ASP SER GLY LYS GLU LEU HIS ILE SEQRES 8 A 249 ASN LEU ILE PRO ASN LYS GLN ASP ARG THR LEU THR ILE SEQRES 9 A 249 VAL ASP THR GLY ILE GLY MET THR LYS ALA ASP LEU ILE SEQRES 10 A 249 ASN ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA SEQRES 11 A 249 PHE MET GLU ALA LEU GLN ALA GLY ALA ASP ILE SER MET SEQRES 12 A 249 ILE GLY GLN PHE GLY VAL GLY PHE TYR SER ALA TYR LEU SEQRES 13 A 249 VAL ALA GLU LYS VAL THR VAL ILE THR LYS HIS ASN ASP SEQRES 14 A 249 ASP GLU GLN TYR ALA TRP GLU SER SER ALA GLY GLY SER SEQRES 15 A 249 PHE THR VAL ARG THR ASP THR GLY GLU PRO MET GLY ARG SEQRES 16 A 249 GLY THR LYS VAL ILE LEU HIS LEU LYS GLU ASP GLN THR SEQRES 17 A 249 GLU TYR LEU GLU GLU ARG ARG ILE LYS GLU ILE VAL LYS SEQRES 18 A 249 LYS HIS SER GLN PHE ILE GLY TYR PRO ILE THR LEU PHE SEQRES 19 A 249 VAL GLU LYS GLU ARG ASP LYS GLU VAL SER ASP ASP GLU SEQRES 20 A 249 ALA GLU HET XJX A1232 30 HETNAM XJX ONALESPIB HETSYN XJX AT13387 FORMUL 2 XJX C24 H31 N3 O3 FORMUL 3 HOH *198(H2 O) HELIX 1 1 GLN A 23 THR A 36 1 14 HELIX 2 2 GLU A 42 ASP A 66 1 25 HELIX 3 3 PRO A 67 ASP A 71 5 5 HELIX 4 4 THR A 99 LEU A 107 1 9 HELIX 5 5 GLY A 114 ALA A 124 1 11 HELIX 6 6 ASP A 127 GLN A 133 5 7 HELIX 7 7 VAL A 136 TYR A 139 5 4 HELIX 8 8 SER A 140 VAL A 144 1 5 HELIX 9 9 GLU A 192 LEU A 198 5 7 HELIX 10 10 GLU A 199 SER A 211 1 13 HELIX 11 11 ASP A 227 SER A 231 5 5 SHEET 1 AA 8 VAL A 17 ALA A 21 0 SHEET 2 AA 8 SER A 169 THR A 174 -1 O PHE A 170 N PHE A 20 SHEET 3 AA 8 TYR A 160 SER A 164 -1 O ALA A 161 N ARG A 173 SHEET 4 AA 8 ALA A 145 LYS A 153 -1 O VAL A 148 N SER A 164 SHEET 5 AA 8 GLY A 183 LEU A 190 -1 O GLY A 183 N LYS A 153 SHEET 6 AA 8 THR A 88 ASP A 93 -1 O LEU A 89 N LEU A 188 SHEET 7 AA 8 ILE A 78 ASN A 83 -1 O ASN A 79 N VAL A 92 SHEET 8 AA 8 ILE A 218 LEU A 220 1 O THR A 219 N LEU A 80 SITE 1 AC1 13 LEU A 48 ASN A 51 ASP A 54 ALA A 55 SITE 2 AC1 13 ASP A 93 GLY A 97 MET A 98 PHE A 138 SITE 3 AC1 13 THR A 184 VAL A 186 HOH A2039 HOH A2084 SITE 4 AC1 13 HOH A2198 CRYST1 44.950 41.050 49.230 90.00 101.86 90.00 P 1 21 1 2 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 0.022247 0.000000 0.004672 0.00000 SCALE2 0.000000 0.024361 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020756 0.00000 ATOM 1 N PRO A 11 34.268 9.815 30.997 1.00 53.18 N ATOM 2 CA PRO A 11 35.333 9.029 30.391 1.00 53.05 C ATOM 3 C PRO A 11 35.173 7.572 30.734 1.00 58.99 C ATOM 4 O PRO A 11 34.075 7.011 30.638 1.00 59.78 O ATOM 5 CB PRO A 11 36.579 9.592 31.063 1.00 55.02 C ATOM 6 CG PRO A 11 36.276 11.053 31.164 1.00 61.02 C ATOM 7 CD PRO A 11 34.741 11.175 31.273 1.00 56.68 C ATOM 8 N MET A 12 36.280 6.963 31.138 1.00 56.59 N ATOM 9 CA MET A 12 36.304 5.556 31.443 1.00 55.84 C ATOM 10 C MET A 12 35.958 4.777 30.172 1.00 48.95 C ATOM 11 O MET A 12 36.817 4.592 29.318 1.00 47.17 O ATOM 12 CB MET A 12 35.368 5.228 32.613 1.00 59.95 C ATOM 13 CG MET A 12 35.944 5.634 33.966 1.00 65.87 C ATOM 14 SD MET A 12 37.665 5.071 34.183 1.00 72.23 S ATOM 15 CE MET A 12 37.408 3.274 34.484 1.00 68.69 C ATOM 16 N GLU A 13 34.694 4.403 30.002 1.00 38.00 N ATOM 17 CA GLU A 13 34.286 3.653 28.814 1.00 34.37 C ATOM 18 C GLU A 13 33.942 4.572 27.644 1.00 28.12 C ATOM 19 O GLU A 13 33.490 5.688 27.832 1.00 23.66 O ATOM 20 CB GLU A 13 33.131 2.733 29.180 1.00 36.29 C ATOM 21 CG GLU A 13 33.462 1.953 30.455 1.00 55.50 C ATOM 22 CD GLU A 13 32.348 1.969 31.491 1.00 85.37 C ATOM 23 OE1 GLU A 13 31.926 3.071 31.911 1.00 81.31 O ATOM 24 OE2 GLU A 13 31.936 0.874 31.928 1.00 84.78 O ATOM 25 N GLU A 14 34.230 4.112 26.439 1.00 22.24 N ATOM 26 CA GLU A 14 34.064 4.930 25.247 1.00 23.44 C ATOM 27 C GLU A 14 33.115 4.251 24.287 1.00 25.21 C ATOM 28 O GLU A 14 33.186 3.046 24.114 1.00 28.26 O ATOM 29 CB GLU A 14 35.417 5.046 24.556 1.00 25.94 C ATOM 30 CG GLU A 14 35.572 6.258 23.720 1.00 42.59 C ATOM 31 CD GLU A 14 36.925 6.873 23.916 1.00 72.19 C ATOM 32 OE1 GLU A 14 37.909 6.304 23.400 1.00 61.56 O ATOM 33 OE2 GLU A 14 37.004 7.888 24.645 1.00 71.65 O ATOM 34 N GLU A 15 32.245 5.020 23.650 1.00 16.92 N ATOM 35 CA GLU A 15 31.290 4.441 22.689 1.00 14.84 C ATOM 36 C GLU A 15 31.198 5.379 21.495 1.00 17.66 C ATOM 37 O GLU A 15 31.109 6.585 21.685 1.00 15.13 O ATOM 38 CB GLU A 15 29.902 4.280 23.303 1.00 16.86 C ATOM 39 CG GLU A 15 28.869 3.644 22.372 1.00 30.46 C ATOM 40 CD GLU A 15 27.534 3.373 23.056 1.00 59.35 C ATOM 41 OE1 GLU A 15 26.822 2.448 22.619 1.00 59.66 O ATOM 42 OE2 GLU A 15 27.199 4.075 24.036 1.00 59.15 O ATOM 43 N GLU A 16 31.252 4.823 20.279 1.00 13.53 N ATOM 44 CA GLU A 16 31.192 5.628 19.080 1.00 13.75 C ATOM 45 C GLU A 16 29.728 6.015 18.940 1.00 17.06 C ATOM 46 O GLU A 16 28.859 5.140 18.930 1.00 15.53 O ATOM 47 CB GLU A 16 31.631 4.788 17.857 1.00 15.57 C ATOM 48 CG GLU A 16 31.384 5.471 16.515 1.00 17.11 C ATOM 49 CD GLU A 16 32.368 6.582 16.208 1.00 16.71 C ATOM 50 OE1 GLU A 16 32.198 7.244 15.131 1.00 16.75 O ATOM 51 OE2 GLU A 16 33.357 6.745 16.991 1.00 17.86 O ATOM 52 N VAL A 17 29.462 7.317 18.821 1.00 14.77 N ATOM 53 CA VAL A 17 28.091 7.816 18.653 1.00 13.55 C ATOM 54 C VAL A 17 28.174 8.956 17.654 1.00 19.92 C ATOM 55 O VAL A 17 28.894 9.919 17.880 1.00 22.07 O ATOM 56 CB VAL A 17 27.520 8.354 19.948 1.00 17.24 C ATOM 57 CG1 VAL A 17 26.086 8.886 19.677 1.00 17.41 C ATOM 58 CG2 VAL A 17 27.491 7.235 21.027 1.00 16.90 C ATOM 59 N GLU A 18 27.484 8.815 16.529 1.00 12.70 N ATOM 60 CA GLU A 18 27.531 9.778 15.448 1.00 11.13 C ATOM 61 C GLU A 18 26.210 10.489 15.285 1.00 16.48 C ATOM 62 O GLU A 18 25.169 9.838 15.268 1.00 16.21 O ATOM 63 CB GLU A 18 27.918 9.049 14.155 1.00 13.19 C ATOM 64 CG GLU A 18 29.302 8.411 14.297 1.00 13.76 C ATOM 65 CD GLU A 18 29.601 7.386 13.207 1.00 23.16 C ATOM 66 OE1 GLU A 18 30.609 6.681 13.344 1.00 22.09 O ATOM 67 OE2 GLU A 18 28.811 7.241 12.254 1.00 16.33 O ATOM 68 N THR A 19 26.274 11.823 15.163 1.00 13.93 N ATOM 69 CA THR A 19 25.083 12.670 15.083 1.00 13.28 C ATOM 70 C THR A 19 24.852 13.119 13.676 1.00 15.74 C ATOM 71 O THR A 19 25.769 13.610 13.024 1.00 15.49 O ATOM 72 CB THR A 19 25.168 13.893 16.052 1.00 19.61 C ATOM 73 OG1 THR A 19 25.319 13.430 17.401 1.00 22.49 O ATOM 74 CG2 THR A 19 23.882 14.669 15.993 1.00 23.06 C ATOM 75 N PHE A 20 23.609 12.931 13.205 1.00 13.17 N ATOM 76 CA PHE A 20 23.242 13.239 11.847 1.00 13.32 C ATOM 77 C PHE A 20 22.000 14.083 11.752 1.00 18.07 C ATOM 78 O PHE A 20 21.149 14.053 12.634 1.00 17.09 O ATOM 79 CB PHE A 20 22.917 11.954 11.083 1.00 13.75 C ATOM 80 CG PHE A 20 24.078 11.038 10.913 1.00 14.08 C ATOM 81 CD1 PHE A 20 24.923 11.166 9.812 1.00 16.16 C ATOM 82 CD2 PHE A 20 24.251 9.971 11.779 1.00 14.18 C ATOM 83 CE1 PHE A 20 26.001 10.286 9.636 1.00 16.43 C ATOM 84 CE2 PHE A 20 25.332 9.087 11.603 1.00 17.49 C ATOM 85 CZ PHE A 20 26.198 9.273 10.533 1.00 15.32 C ATOM 86 N ALA A 21 21.914 14.845 10.659 1.00 14.09 N ATOM 87 CA ALA A 21 20.694 15.556 10.391 1.00 12.29 C ATOM 88 C ALA A 21 19.932 14.681 9.404 1.00 14.40 C ATOM 89 O ALA A 21 20.501 14.140 8.436 1.00 13.70 O ATOM 90 CB ALA A 21 21.010 16.919 9.679 1.00 13.29 C ATOM 91 N PHE A 22 18.628 14.626 9.571 1.00 11.41 N ATOM 92 CA PHE A 22 17.801 14.032 8.559 1.00 10.52 C ATOM 93 C PHE A 22 17.922 14.854 7.290 1.00 12.74 C ATOM 94 O PHE A 22 18.035 16.082 7.342 1.00 14.42 O ATOM 95 CB PHE A 22 16.346 14.080 9.005 1.00 11.04 C ATOM 96 CG PHE A 22 16.004 13.017 9.993 1.00 12.96 C ATOM 97 CD1 PHE A 22 16.042 11.686 9.602 1.00 14.90 C ATOM 98 CD2 PHE A 22 15.721 13.347 11.328 1.00 12.34 C ATOM 99 CE1 PHE A 22 15.732 10.670 10.503 1.00 13.85 C ATOM 100 CE2 PHE A 22 15.410 12.333 12.222 1.00 12.40 C ATOM 101 CZ PHE A 22 15.429 10.995 11.792 1.00 12.11 C ATOM 102 N GLN A 23 17.859 14.172 6.150 1.00 13.82 N ATOM 103 CA GLN A 23 17.842 14.834 4.854 1.00 14.69 C ATOM 104 C GLN A 23 16.627 15.793 4.860 1.00 16.05 C ATOM 105 O GLN A 23 15.614 15.533 5.495 1.00 14.73 O ATOM 106 CB GLN A 23 17.714 13.795 3.746 1.00 15.78 C ATOM 107 CG GLN A 23 17.842 14.356 2.349 1.00 18.18 C ATOM 108 CD GLN A 23 16.508 14.803 1.765 1.00 16.53 C ATOM 109 OE1 GLN A 23 15.435 14.397 2.237 1.00 16.48 O ATOM 110 NE2 GLN A 23 16.569 15.612 0.699 1.00 17.06 N ATOM 111 N ALA A 24 16.806 16.976 4.296 1.00 13.14 N ATOM 112 CA ALA A 24 15.775 18.023 4.429 1.00 14.54 C ATOM 113 C ALA A 24 14.306 17.623 4.171 1.00 15.71 C ATOM 114 O ALA A 24 13.407 18.037 4.911 1.00 15.04 O ATOM 115 CB ALA A 24 16.151 19.267 3.604 1.00 14.76 C ATOM 116 N GLU A 25 14.057 16.832 3.150 1.00 14.35 N ATOM 117 CA GLU A 25 12.661 16.470 2.873 1.00 14.39 C ATOM 118 C GLU A 25 12.149 15.438 3.881 1.00 14.87 C ATOM 119 O GLU A 25 10.977 15.477 4.278 1.00 15.57 O ATOM 120 CB GLU A 25 12.520 16.035 1.411 1.00 16.23 C ATOM 121 CG GLU A 25 12.577 17.269 0.495 1.00 21.45 C ATOM 122 CD GLU A 25 13.228 17.018 -0.846 1.00 44.06 C ATOM 123 OE1 GLU A 25 14.093 16.127 -0.968 1.00 33.22 O ATOM 124 OE2 GLU A 25 12.924 17.792 -1.771 1.00 45.71 O ATOM 125 N ILE A 26 13.041 14.577 4.357 1.00 11.78 N ATOM 126 C ILE A 26 12.293 14.389 6.644 1.00 15.16 C ATOM 127 O ILE A 26 11.321 14.086 7.303 1.00 13.39 O ATOM 128 CA AILE A 26 12.645 13.606 5.385 0.50 11.59 C ATOM 129 CB AILE A 26 13.746 12.547 5.645 0.50 13.98 C ATOM 130 CG1AILE A 26 13.957 11.663 4.402 0.50 14.76 C ATOM 131 CG2AILE A 26 13.412 11.720 6.894 0.50 15.79 C ATOM 132 CD1AILE A 26 12.885 10.618 4.197 0.50 20.10 C ATOM 133 CA BILE A 26 12.639 13.613 5.392 0.50 11.13 C ATOM 134 CB BILE A 26 13.732 12.583 5.691 0.50 13.00 C ATOM 135 CG1BILE A 26 13.927 11.647 4.498 0.50 13.22 C ATOM 136 CG2BILE A 26 13.410 11.822 6.990 0.50 14.70 C ATOM 137 CD1BILE A 26 15.152 10.825 4.633 0.50 8.69 C ATOM 138 N ALA A 27 13.084 15.426 6.961 1.00 14.14 N ATOM 139 CA ALA A 27 12.785 16.239 8.159 1.00 14.19 C ATOM 140 C ALA A 27 11.401 16.940 8.008 1.00 15.82 C ATOM 141 O ALA A 27 10.581 16.977 8.929 1.00 13.51 O ATOM 142 CB ALA A 27 13.921 17.241 8.472 1.00 15.59 C ATOM 143 N GLN A 28 11.150 17.464 6.825 1.00 14.24 N ATOM 144 CA GLN A 28 9.868 18.139 6.553 1.00 13.43 C ATOM 145 C GLN A 28 8.698 17.151 6.731 1.00 15.39 C ATOM 146 O GLN A 28 7.671 17.472 7.320 1.00 16.03 O ATOM 147 CB GLN A 28 9.930 18.590 5.096 1.00 16.53 C ATOM 148 CG GLN A 28 8.721 19.277 4.552 1.00 25.71 C ATOM 149 CD GLN A 28 9.087 20.103 3.314 1.00 39.16 C ATOM 150 OE1 GLN A 28 8.439 21.093 3.014 1.00 48.97 O ATOM 151 NE2 GLN A 28 10.213 19.773 2.689 1.00 21.17 N ATOM 152 N LEU A 29 8.872 15.945 6.214 1.00 11.46 N ATOM 153 CA LEU A 29 7.864 14.888 6.353 1.00 13.17 C ATOM 154 C LEU A 29 7.635 14.510 7.802 1.00 17.59 C ATOM 155 O LEU A 29 6.493 14.387 8.247 1.00 15.55 O ATOM 156 CB LEU A 29 8.294 13.668 5.525 1.00 14.54 C ATOM 157 CG LEU A 29 7.400 12.433 5.727 1.00 20.26 C ATOM 158 CD1 LEU A 29 5.930 12.789 5.478 1.00 21.27 C ATOM 159 CD2 LEU A 29 7.842 11.321 4.755 1.00 21.08 C ATOM 160 N MET A 30 8.726 14.275 8.552 1.00 13.84 N ATOM 161 CA MET A 30 8.561 13.900 9.949 1.00 12.55 C ATOM 162 C MET A 30 7.807 15.006 10.681 1.00 15.29 C ATOM 163 O MET A 30 6.979 14.728 11.505 1.00 16.36 O ATOM 164 CB MET A 30 9.930 13.679 10.601 1.00 13.42 C ATOM 165 CG MET A 30 10.579 12.403 10.069 1.00 13.69 C ATOM 166 SD MET A 30 12.224 12.127 10.774 1.00 15.49 S ATOM 167 CE MET A 30 11.699 11.542 12.466 1.00 15.40 C ATOM 168 N SER A 31 8.084 16.268 10.349 1.00 13.04 N ATOM 169 CA SER A 31 7.440 17.392 11.066 1.00 13.46 C ATOM 170 C SER A 31 5.928 17.377 10.731 1.00 17.60 C ATOM 171 O SER A 31 5.087 17.631 11.587 1.00 20.14 O ATOM 172 CB SER A 31 8.075 18.731 10.650 1.00 17.23 C ATOM 173 OG SER A 31 7.517 19.790 11.433 1.00 23.57 O ATOM 174 N LEU A 32 5.582 17.019 9.512 1.00 17.98 N ATOM 175 CA LEU A 32 4.161 16.912 9.134 1.00 20.86 C ATOM 176 C LEU A 32 3.531 15.800 9.975 1.00 26.45 C ATOM 177 O LEU A 32 2.509 15.993 10.624 1.00 26.69 O ATOM 178 CB LEU A 32 4.022 16.494 7.657 1.00 22.79 C ATOM 179 CG LEU A 32 3.699 17.527 6.588 1.00 28.29 C ATOM 180 CD1 LEU A 32 3.186 16.720 5.394 1.00 28.41 C ATOM 181 CD2 LEU A 32 2.601 18.445 7.126 1.00 31.65 C ATOM 182 N ILE A 33 4.179 14.639 9.973 1.00 19.45 N ATOM 183 CA ILE A 33 3.704 13.443 10.661 1.00 18.74 C ATOM 184 C ILE A 33 3.419 13.683 12.117 1.00 24.06 C ATOM 185 O ILE A 33 2.431 13.194 12.657 1.00 25.97 O ATOM 186 CB ILE A 33 4.693 12.262 10.452 1.00 19.49 C ATOM 187 CG1 ILE A 33 4.536 11.695 9.041 1.00 18.32 C ATOM 188 CG2 ILE A 33 4.477 11.145 11.483 1.00 22.00 C ATOM 189 CD1 ILE A 33 5.635 10.796 8.631 1.00 20.70 C ATOM 190 N ILE A 34 4.299 14.441 12.748 1.00 19.72 N ATOM 191 CA ILE A 34 4.236 14.714 14.159 1.00 19.71 C ATOM 192 C ILE A 34 3.301 15.860 14.530 1.00 24.75 C ATOM 193 O ILE A 34 2.681 15.838 15.614 1.00 26.22 O ATOM 194 CB ILE A 34 5.676 15.015 14.668 1.00 22.48 C ATOM 195 CG1 ILE A 34 6.596 13.810 14.468 1.00 22.52 C ATOM 196 CG2 ILE A 34 5.668 15.606 16.053 1.00 22.18 C ATOM 197 CD1 ILE A 34 8.067 14.113 14.768 1.00 24.13 C ATOM 198 N ASN A 35 3.301 16.909 13.711 1.00 20.34 N ATOM 199 CA ASN A 35 2.579 18.141 14.042 1.00 20.95 C ATOM 200 C ASN A 35 1.212 18.316 13.423 1.00 28.26 C ATOM 201 O ASN A 35 0.561 19.341 13.634 1.00 30.37 O ATOM 202 CB ASN A 35 3.458 19.349 13.718 1.00 21.21 C ATOM 203 CG ASN A 35 4.757 19.339 14.511 1.00 32.34 C ATOM 204 OD1 ASN A 35 5.844 19.138 13.960 1.00 28.68 O ATOM 205 ND2 ASN A 35 4.641 19.508 15.820 1.00 25.46 N ATOM 206 N THR A 36 0.805 17.342 12.623 1.00 22.70 N ATOM 207 CA THR A 36 -0.476 17.391 11.949 1.00 22.08 C ATOM 208 C THR A 36 -1.315 16.213 12.423 1.00 25.10 C ATOM 209 O THR A 36 -0.815 15.095 12.603 1.00 23.59 O ATOM 210 CB THR A 36 -0.283 17.325 10.421 1.00 31.01 C ATOM 211 OG1 THR A 36 0.483 18.464 10.003 1.00 31.07 O ATOM 212 CG2 THR A 36 -1.664 17.288 9.688 1.00 29.67 C ATOM 213 N PHE A 37 -2.611 16.432 12.582 1.00 20.02 N ATOM 214 CA PHE A 37 -3.422 15.313 13.003 1.00 19.78 C ATOM 215 C PHE A 37 -3.724 14.410 11.814 1.00 23.62 C ATOM 216 O PHE A 37 -4.050 14.901 10.726 1.00 23.79 O ATOM 217 CB PHE A 37 -4.719 15.775 13.682 1.00 22.52 C ATOM 218 CG PHE A 37 -5.670 14.646 13.983 1.00 24.48 C ATOM 219 CD1 PHE A 37 -5.620 13.988 15.196 1.00 28.98 C ATOM 220 CD2 PHE A 37 -6.628 14.271 13.048 1.00 25.67 C ATOM 221 CE1 PHE A 37 -6.501 12.934 15.467 1.00 30.03 C ATOM 222 CE2 PHE A 37 -7.528 13.236 13.322 1.00 28.53 C ATOM 223 CZ PHE A 37 -7.456 12.566 14.522 1.00 27.15 C ATOM 224 N TYR A 38 -3.548 13.098 11.988 1.00 18.65 N ATOM 225 CA TYR A 38 -3.911 12.156 10.941 1.00 16.94 C ATOM 226 C TYR A 38 -4.736 11.063 11.560 1.00 19.96 C ATOM 227 O TYR A 38 -4.395 10.558 12.621 1.00 19.81 O ATOM 228 CB TYR A 38 -2.682 11.507 10.290 1.00 18.79 C ATOM 229 CG TYR A 38 -1.855 12.489 9.479 1.00 22.37 C ATOM 230 CD1 TYR A 38 -2.329 12.995 8.278 1.00 25.73 C ATOM 231 CD2 TYR A 38 -0.646 12.981 9.981 1.00 23.41 C ATOM 232 CE1 TYR A 38 -1.609 13.963 7.571 1.00 25.03 C ATOM 233 CE2 TYR A 38 0.098 13.916 9.262 1.00 24.42 C ATOM 234 CZ TYR A 38 -0.386 14.399 8.065 1.00 28.46 C ATOM 235 OH TYR A 38 0.359 15.324 7.358 1.00 27.98 O ATOM 236 N SER A 39 -5.819 10.671 10.901 1.00 16.41 N ATOM 237 CA SER A 39 -6.606 9.574 11.450 1.00 15.57 C ATOM 238 C SER A 39 -5.920 8.258 11.015 1.00 18.36 C ATOM 239 O SER A 39 -5.051 8.262 10.134 1.00 18.14 O ATOM 240 CB SER A 39 -8.022 9.584 10.837 1.00 23.39 C ATOM 241 OG SER A 39 -8.569 10.888 10.867 1.00 29.37 O ATOM 242 N ASN A 40 -6.422 7.132 11.532 1.00 14.01 N ATOM 243 CA ASN A 40 -5.983 5.803 11.099 1.00 13.69 C ATOM 244 C ASN A 40 -4.477 5.548 11.198 1.00 13.15 C ATOM 245 O ASN A 40 -3.867 4.958 10.297 1.00 14.64 O ATOM 246 CB ASN A 40 -6.466 5.570 9.661 1.00 14.44 C ATOM 247 CG ASN A 40 -7.982 5.830 9.520 1.00 28.21 C ATOM 248 OD1 ASN A 40 -8.760 5.265 10.283 1.00 21.58 O ATOM 249 ND2 ASN A 40 -8.371 6.816 8.693 1.00 18.12 N ATOM 250 N LYS A 41 -3.943 5.861 12.366 1.00 10.97 N ATOM 251 CA LYS A 41 -2.522 5.656 12.638 1.00 11.09 C ATOM 252 C LYS A 41 -2.132 4.180 12.858 1.00 14.92 C ATOM 253 O LYS A 41 -0.948 3.839 12.856 1.00 15.37 O ATOM 254 CB LYS A 41 -2.159 6.516 13.859 1.00 12.76 C ATOM 255 CG LYS A 41 -2.198 7.999 13.531 1.00 12.84 C ATOM 256 CD LYS A 41 -1.796 8.852 14.761 1.00 14.13 C ATOM 257 CE LYS A 41 -1.400 10.259 14.318 1.00 19.63 C ATOM 258 NZ LYS A 41 -0.987 11.091 15.500 1.00 26.32 N ATOM 259 N GLU A 42 -3.108 3.321 13.099 1.00 14.44 N ATOM 260 CA GLU A 42 -2.786 1.933 13.425 1.00 13.53 C ATOM 261 C GLU A 42 -1.922 1.235 12.382 1.00 14.85 C ATOM 262 O GLU A 42 -1.292 0.215 12.676 1.00 14.60 O ATOM 263 CB GLU A 42 -4.060 1.131 13.645 1.00 14.38 C ATOM 264 CG GLU A 42 -4.895 0.957 12.381 1.00 17.46 C ATOM 265 CD GLU A 42 -6.214 0.286 12.705 1.00 36.99 C ATOM 266 OE1 GLU A 42 -6.753 -0.428 11.846 1.00 26.43 O ATOM 267 OE2 GLU A 42 -6.642 0.367 13.877 1.00 28.27 O ATOM 268 N ILE A 43 -1.851 1.821 11.183 1.00 12.53 N ATOM 269 CA ILE A 43 -1.054 1.235 10.091 1.00 12.16 C ATOM 270 C ILE A 43 0.443 1.272 10.367 1.00 11.28 C ATOM 271 O ILE A 43 1.229 0.612 9.680 1.00 12.72 O ATOM 272 CB ILE A 43 -1.421 1.806 8.718 1.00 14.69 C ATOM 273 CG1 ILE A 43 -1.172 3.303 8.669 1.00 14.29 C ATOM 274 CG2 ILE A 43 -2.923 1.545 8.418 1.00 13.96 C ATOM 275 CD1 ILE A 43 0.245 3.697 8.352 1.00 19.33 C ATOM 276 N PHE A 44 0.852 1.965 11.427 1.00 9.58 N ATOM 277 CA PHE A 44 2.294 1.966 11.737 1.00 9.12 C ATOM 278 C PHE A 44 2.768 0.536 11.995 1.00 13.31 C ATOM 279 O PHE A 44 3.912 0.188 11.682 1.00 13.50 O ATOM 280 CB PHE A 44 2.626 2.872 12.960 1.00 11.17 C ATOM 281 CG PHE A 44 2.327 2.221 14.277 1.00 11.87 C ATOM 282 CD1 PHE A 44 1.062 2.315 14.834 1.00 12.96 C ATOM 283 CD2 PHE A 44 3.302 1.482 14.928 1.00 13.35 C ATOM 284 CE1 PHE A 44 0.728 1.620 16.023 1.00 13.80 C ATOM 285 CE2 PHE A 44 2.984 0.783 16.138 1.00 14.37 C ATOM 286 CZ PHE A 44 1.691 0.861 16.664 1.00 13.37 C ATOM 287 N LEU A 45 1.917 -0.287 12.599 1.00 13.03 N ATOM 288 CA LEU A 45 2.334 -1.639 12.936 1.00 10.83 C ATOM 289 C LEU A 45 2.505 -2.464 11.682 1.00 13.95 C ATOM 290 O LEU A 45 3.424 -3.291 11.588 1.00 14.03 O ATOM 291 CB LEU A 45 1.382 -2.296 13.957 1.00 10.98 C ATOM 292 CG LEU A 45 1.902 -3.598 14.573 1.00 15.47 C ATOM 293 CD1 LEU A 45 3.336 -3.477 15.182 1.00 16.64 C ATOM 294 CD2 LEU A 45 0.910 -4.128 15.598 1.00 14.89 C ATOM 295 N ARG A 46 1.611 -2.245 10.723 1.00 8.86 N ATOM 296 CA ARG A 46 1.669 -2.976 9.472 1.00 9.92 C ATOM 297 C ARG A 46 3.025 -2.692 8.799 1.00 15.70 C ATOM 298 O ARG A 46 3.666 -3.581 8.279 1.00 17.03 O ATOM 299 CB ARG A 46 0.562 -2.450 8.549 1.00 11.63 C ATOM 300 CG ARG A 46 0.501 -3.208 7.207 1.00 21.38 C ATOM 301 CD ARG A 46 -0.295 -2.435 6.140 1.00 21.41 C ATOM 302 NE ARG A 46 0.273 -1.115 5.876 1.00 20.16 N ATOM 303 CZ ARG A 46 -0.423 -0.068 5.443 1.00 19.71 C ATOM 304 NH1 ARG A 46 -1.743 -0.173 5.283 1.00 18.27 N ATOM 305 NH2 ARG A 46 0.188 1.092 5.201 1.00 20.57 N ATOM 306 N GLU A 47 3.441 -1.425 8.808 1.00 13.81 N ATOM 307 CA GLU A 47 4.698 -1.039 8.163 1.00 13.86 C ATOM 308 C GLU A 47 5.909 -1.706 8.829 1.00 15.88 C ATOM 309 O GLU A 47 6.811 -2.210 8.152 1.00 14.98 O ATOM 310 CB GLU A 47 4.841 0.481 8.185 1.00 15.52 C ATOM 311 CG GLU A 47 3.790 1.163 7.322 1.00 15.10 C ATOM 312 CD GLU A 47 3.961 0.789 5.849 1.00 27.64 C ATOM 313 OE1 GLU A 47 5.109 0.650 5.397 1.00 21.26 O ATOM 314 OE2 GLU A 47 2.954 0.602 5.154 1.00 27.04 O ATOM 315 N LEU A 48 5.887 -1.744 10.148 1.00 12.24 N ATOM 316 CA LEU A 48 6.973 -2.364 10.901 1.00 11.53 C ATOM 317 C LEU A 48 7.040 -3.866 10.600 1.00 12.33 C ATOM 318 O LEU A 48 8.114 -4.397 10.352 1.00 11.86 O ATOM 319 CB LEU A 48 6.799 -2.153 12.413 1.00 12.63 C ATOM 320 CG LEU A 48 7.183 -0.753 12.914 1.00 18.03 C ATOM 321 CD1 LEU A 48 6.515 -0.500 14.229 1.00 17.54 C ATOM 322 CD2 LEU A 48 8.679 -0.660 13.166 1.00 26.06 C ATOM 323 N ILE A 49 5.895 -4.537 10.616 1.00 12.10 N ATOM 324 CA ILE A 49 5.852 -5.988 10.359 1.00 9.21 C ATOM 325 C ILE A 49 6.243 -6.262 8.916 1.00 13.24 C ATOM 326 O ILE A 49 6.927 -7.256 8.618 1.00 12.63 O ATOM 327 CB ILE A 49 4.483 -6.556 10.709 1.00 12.89 C ATOM 328 CG1 ILE A 49 4.217 -6.401 12.224 1.00 11.61 C ATOM 329 CG2 ILE A 49 4.337 -7.971 10.178 1.00 13.10 C ATOM 330 CD1 ILE A 49 2.798 -6.867 12.630 1.00 12.56 C ATOM 331 N SER A 50 5.903 -5.353 8.009 1.00 12.98 N ATOM 332 C SER A 50 7.809 -5.491 6.467 1.00 14.47 C ATOM 333 O SER A 50 8.406 -6.304 5.731 1.00 12.90 O ATOM 334 CA ASER A 50 6.296 -5.535 6.611 0.50 13.12 C ATOM 335 CB ASER A 50 5.642 -4.473 5.725 0.50 16.73 C ATOM 336 OG ASER A 50 4.277 -4.772 5.600 0.50 16.87 O ATOM 337 CA BSER A 50 6.285 -5.538 6.610 0.50 13.40 C ATOM 338 CB BSER A 50 5.626 -4.476 5.714 0.50 17.96 C ATOM 339 OG BSER A 50 6.125 -4.588 4.396 0.50 22.94 O ATOM 340 N ASN A 51 8.426 -4.539 7.165 1.00 12.44 N ATOM 341 CA ASN A 51 9.874 -4.377 7.122 1.00 11.64 C ATOM 342 C ASN A 51 10.548 -5.595 7.722 1.00 13.17 C ATOM 343 O ASN A 51 11.521 -6.090 7.163 1.00 12.87 O ATOM 344 CB ASN A 51 10.348 -3.065 7.790 1.00 10.59 C ATOM 345 CG ASN A 51 10.072 -1.831 6.910 1.00 24.22 C ATOM 346 OD1 ASN A 51 10.118 -1.921 5.694 1.00 32.54 O ATOM 347 ND2 ASN A 51 10.001 -0.669 7.524 1.00 25.00 N ATOM 348 N SER A 52 9.963 -6.131 8.805 1.00 10.34 N ATOM 349 CA SER A 52 10.524 -7.314 9.426 1.00 10.45 C ATOM 350 C SER A 52 10.421 -8.479 8.439 1.00 9.70 C ATOM 351 O SER A 52 11.375 -9.246 8.245 1.00 9.90 O ATOM 352 CB SER A 52 9.762 -7.639 10.701 1.00 11.63 C ATOM 353 OG SER A 52 10.047 -6.689 11.737 1.00 12.83 O ATOM 354 N SER A 53 9.245 -8.632 7.827 1.00 10.29 N ATOM 355 CA SER A 53 9.024 -9.720 6.878 1.00 10.25 C ATOM 356 C SER A 53 10.004 -9.657 5.730 1.00 12.24 C ATOM 357 O SER A 53 10.576 -10.679 5.369 1.00 12.82 O ATOM 358 CB SER A 53 7.571 -9.681 6.327 1.00 15.32 C ATOM 359 OG SER A 53 7.357 -10.783 5.434 1.00 20.15 O ATOM 360 N ASP A 54 10.238 -8.470 5.155 1.00 10.53 N ATOM 361 CA ASP A 54 11.243 -8.327 4.093 1.00 11.42 C ATOM 362 C ASP A 54 12.659 -8.728 4.551 1.00 12.51 C ATOM 363 O ASP A 54 13.410 -9.396 3.822 1.00 13.22 O ATOM 364 CB ASP A 54 11.282 -6.882 3.605 1.00 14.48 C ATOM 365 CG ASP A 54 10.016 -6.487 2.886 1.00 21.03 C ATOM 366 OD1 ASP A 54 9.227 -7.394 2.576 1.00 22.29 O ATOM 367 OD2 ASP A 54 9.926 -5.316 2.460 1.00 23.13 O ATOM 368 N ALA A 55 13.007 -8.336 5.768 1.00 10.64 N ATOM 369 CA ALA A 55 14.347 -8.666 6.313 1.00 11.31 C ATOM 370 C ALA A 55 14.466 -10.186 6.535 1.00 13.44 C ATOM 371 O ALA A 55 15.535 -10.788 6.362 1.00 12.87 O ATOM 372 CB ALA A 55 14.540 -7.953 7.603 1.00 11.55 C ATOM 373 N LEU A 56 13.367 -10.787 6.961 1.00 10.18 N ATOM 374 CA LEU A 56 13.348 -12.219 7.216 1.00 9.53 C ATOM 375 C LEU A 56 13.445 -12.950 5.872 1.00 13.64 C ATOM 376 O LEU A 56 14.195 -13.898 5.728 1.00 12.33 O ATOM 377 CB LEU A 56 12.084 -12.617 7.967 1.00 9.57 C ATOM 378 CG LEU A 56 12.127 -12.213 9.464 1.00 11.35 C ATOM 379 CD1 LEU A 56 10.740 -12.216 10.141 1.00 9.99 C ATOM 380 CD2 LEU A 56 13.021 -13.207 10.227 1.00 13.03 C ATOM 381 N ASP A 57 12.681 -12.503 4.883 1.00 12.20 N ATOM 382 CA ASP A 57 12.796 -13.063 3.524 1.00 11.84 C ATOM 383 C ASP A 57 14.249 -13.065 3.028 1.00 14.21 C ATOM 384 O ASP A 57 14.707 -14.042 2.407 1.00 13.18 O ATOM 385 CB ASP A 57 11.992 -12.194 2.542 1.00 12.04 C ATOM 386 CG ASP A 57 10.479 -12.486 2.569 1.00 18.43 C ATOM 387 OD1 ASP A 57 10.015 -13.480 3.187 1.00 17.53 O ATOM 388 OD2 ASP A 57 9.743 -11.701 1.937 1.00 17.03 O ATOM 389 N LYS A 58 14.940 -11.957 3.249 1.00 11.57 N ATOM 390 CA LYS A 58 16.330 -11.793 2.773 1.00 11.47 C ATOM 391 C LYS A 58 17.307 -12.807 3.381 1.00 14.52 C ATOM 392 O LYS A 58 18.055 -13.469 2.649 1.00 14.17 O ATOM 393 CB LYS A 58 16.810 -10.370 2.996 1.00 12.91 C ATOM 394 CG LYS A 58 18.078 -10.021 2.226 1.00 16.76 C ATOM 395 CD LYS A 58 17.874 -9.947 0.759 1.00 28.14 C ATOM 396 CE LYS A 58 19.197 -9.482 0.172 1.00 41.56 C ATOM 397 NZ LYS A 58 20.124 -10.634 -0.030 1.00 49.18 N ATOM 398 N ILE A 59 17.280 -12.950 4.707 1.00 10.61 N ATOM 399 CA ILE A 59 18.147 -13.948 5.362 1.00 10.04 C ATOM 400 C ILE A 59 17.730 -15.357 4.958 1.00 13.45 C ATOM 401 O ILE A 59 18.579 -16.188 4.726 1.00 13.48 O ATOM 402 CB ILE A 59 18.233 -13.807 6.890 1.00 12.85 C ATOM 403 CG1 ILE A 59 19.229 -14.831 7.481 1.00 14.77 C ATOM 404 CG2 ILE A 59 16.853 -13.986 7.543 1.00 11.37 C ATOM 405 CD1 ILE A 59 20.690 -14.626 7.060 1.00 18.04 C ATOM 406 N ARG A 60 16.433 -15.632 4.819 1.00 10.05 N ATOM 407 C ARG A 60 16.584 -17.247 2.991 1.00 12.52 C ATOM 408 O ARG A 60 17.163 -18.308 2.744 1.00 12.86 O ATOM 409 CA AARG A 60 16.011 -16.957 4.393 0.50 10.01 C ATOM 410 CB AARG A 60 14.493 -17.012 4.331 0.50 9.29 C ATOM 411 CG AARG A 60 13.994 -18.324 3.808 0.50 9.73 C ATOM 412 CD AARG A 60 12.492 -18.367 3.900 0.50 16.02 C ATOM 413 NE AARG A 60 11.859 -17.357 3.068 0.50 14.76 N ATOM 414 CZ AARG A 60 10.542 -17.183 3.030 0.50 42.24 C ATOM 415 NH1AARG A 60 9.756 -17.909 3.819 0.50 38.12 N ATOM 416 NH2AARG A 60 10.013 -16.284 2.224 0.50 29.53 N ATOM 417 CA BARG A 60 16.007 -16.961 4.395 0.50 10.04 C ATOM 418 CB BARG A 60 14.482 -17.012 4.340 0.50 10.20 C ATOM 419 CG BARG A 60 13.944 -18.172 3.535 0.50 13.85 C ATOM 420 CD BARG A 60 12.437 -18.294 3.718 0.50 18.47 C ATOM 421 NE BARG A 60 12.102 -18.775 5.055 0.50 21.93 N ATOM 422 CZ BARG A 60 10.893 -18.690 5.594 0.50 33.42 C ATOM 423 NH1BARG A 60 9.899 -18.133 4.914 0.50 28.06 N ATOM 424 NH2BARG A 60 10.673 -19.170 6.809 0.50 17.26 N ATOM 425 N TYR A 61 16.425 -16.290 2.079 1.00 9.70 N ATOM 426 CA TYR A 61 16.937 -16.428 0.706 1.00 8.42 C ATOM 427 C TYR A 61 18.442 -16.667 0.666 1.00 11.69 C ATOM 428 O TYR A 61 18.943 -17.559 -0.069 1.00 10.56 O ATOM 429 CB TYR A 61 16.600 -15.168 -0.086 1.00 9.47 C ATOM 430 CG TYR A 61 16.780 -15.304 -1.579 1.00 11.61 C ATOM 431 CD1 TYR A 61 15.821 -15.918 -2.358 1.00 13.46 C ATOM 432 CD2 TYR A 61 17.901 -14.760 -2.201 1.00 13.39 C ATOM 433 CE1 TYR A 61 15.964 -16.023 -3.742 1.00 16.01 C ATOM 434 CE2 TYR A 61 18.047 -14.826 -3.576 1.00 15.11 C ATOM 435 CZ TYR A 61 17.102 -15.493 -4.330 1.00 17.40 C ATOM 436 OH TYR A 61 17.266 -15.520 -5.700 1.00 17.16 O ATOM 437 N GLU A 62 19.191 -15.863 1.426 1.00 10.75 N ATOM 438 CA GLU A 62 20.650 -16.039 1.448 1.00 11.00 C ATOM 439 C GLU A 62 21.028 -17.397 2.021 1.00 10.81 C ATOM 440 O GLU A 62 22.007 -18.017 1.564 1.00 12.78 O ATOM 441 CB GLU A 62 21.324 -14.903 2.204 1.00 12.57 C ATOM 442 CG GLU A 62 21.053 -13.544 1.563 1.00 14.70 C ATOM 443 CD GLU A 62 21.993 -12.449 2.059 1.00 26.16 C ATOM 444 OE1 GLU A 62 21.769 -11.297 1.664 1.00 27.86 O ATOM 445 OE2 GLU A 62 22.930 -12.721 2.854 1.00 24.23 O ATOM 446 N SER A 63 20.260 -17.850 3.021 1.00 10.15 N ATOM 447 CA SER A 63 20.535 -19.123 3.671 1.00 10.36 C ATOM 448 C SER A 63 20.323 -20.345 2.773 1.00 17.22 C ATOM 449 O SER A 63 20.870 -21.395 3.076 1.00 15.12 O ATOM 450 CB SER A 63 19.711 -19.312 4.970 1.00 11.88 C ATOM 451 OG SER A 63 18.348 -19.518 4.690 1.00 14.48 O ATOM 452 N LEU A 64 19.537 -20.202 1.696 1.00 15.43 N ATOM 453 CA LEU A 64 19.325 -21.306 0.731 1.00 16.25 C ATOM 454 C LEU A 64 20.683 -21.762 0.230 1.00 18.13 C ATOM 455 O LEU A 64 20.912 -22.951 -0.001 1.00 20.19 O ATOM 456 CB LEU A 64 18.550 -20.806 -0.479 1.00 15.90 C ATOM 457 CG LEU A 64 17.065 -20.556 -0.269 1.00 16.30 C ATOM 458 CD1 LEU A 64 16.560 -19.958 -1.550 1.00 17.91 C ATOM 459 CD2 LEU A 64 16.368 -21.898 -0.045 1.00 16.65 C ATOM 460 N THR A 65 21.573 -20.796 0.043 1.00 12.79 N ATOM 461 CA THR A 65 22.895 -21.044 -0.520 1.00 12.76 C ATOM 462 C THR A 65 23.985 -21.169 0.530 1.00 19.52 C ATOM 463 O THR A 65 24.960 -21.896 0.343 1.00 18.78 O ATOM 464 CB THR A 65 23.242 -19.890 -1.477 1.00 12.94 C ATOM 465 OG1 THR A 65 22.180 -19.776 -2.423 1.00 15.15 O ATOM 466 CG2 THR A 65 24.560 -20.177 -2.195 1.00 16.71 C ATOM 467 N ASP A 66 23.826 -20.447 1.638 1.00 16.63 N ATOM 468 CA ASP A 66 24.860 -20.478 2.668 1.00 15.50 C ATOM 469 C ASP A 66 24.234 -20.595 4.053 1.00 16.90 C ATOM 470 O ASP A 66 23.955 -19.603 4.698 1.00 14.90 O ATOM 471 CB ASP A 66 25.731 -19.243 2.539 1.00 19.16 C ATOM 472 CG ASP A 66 26.876 -19.215 3.544 1.00 24.88 C ATOM 473 OD1 ASP A 66 27.018 -20.194 4.292 1.00 26.78 O ATOM 474 OD2 ASP A 66 27.608 -18.194 3.594 1.00 32.91 O ATOM 475 N PRO A 67 24.007 -21.832 4.513 1.00 17.44 N ATOM 476 CA PRO A 67 23.427 -22.162 5.822 1.00 18.80 C ATOM 477 C PRO A 67 24.187 -21.484 6.960 1.00 20.83 C ATOM 478 O PRO A 67 23.594 -21.201 8.010 1.00 19.25 O ATOM 479 CB PRO A 67 23.618 -23.682 5.916 1.00 20.97 C ATOM 480 CG PRO A 67 23.613 -24.155 4.485 1.00 23.30 C ATOM 481 CD PRO A 67 24.043 -22.996 3.615 1.00 17.76 C ATOM 482 N SER A 68 25.471 -21.203 6.740 1.00 17.82 N ATOM 483 CA SER A 68 26.309 -20.573 7.761 1.00 18.56 C ATOM 484 C SER A 68 25.836 -19.175 8.152 1.00 21.28 C ATOM 485 O SER A 68 26.119 -18.676 9.261 1.00 20.02 O ATOM 486 CB SER A 68 27.802 -20.604 7.394 1.00 21.28 C ATOM 487 OG SER A 68 28.139 -19.585 6.479 1.00 26.99 O ATOM 488 N LYS A 69 25.051 -18.566 7.275 1.00 15.77 N ATOM 489 CA LYS A 69 24.505 -17.255 7.585 1.00 14.79 C ATOM 490 C LYS A 69 23.512 -17.343 8.732 1.00 14.89 C ATOM 491 O LYS A 69 23.195 -16.333 9.344 1.00 14.03 O ATOM 492 CB LYS A 69 23.880 -16.626 6.349 1.00 14.88 C ATOM 493 CG LYS A 69 24.931 -16.185 5.345 1.00 18.44 C ATOM 494 CD LYS A 69 24.328 -15.560 4.163 1.00 15.90 C ATOM 495 CE LYS A 69 25.399 -14.811 3.347 1.00 25.38 C ATOM 496 NZ LYS A 69 24.952 -14.509 1.961 1.00 35.46 N ATOM 497 N LEU A 70 23.016 -18.539 9.029 1.00 12.84 N ATOM 498 CA LEU A 70 22.103 -18.727 10.160 1.00 14.01 C ATOM 499 C LEU A 70 22.837 -19.039 11.476 1.00 19.60 C ATOM 500 O LEU A 70 22.185 -19.245 12.490 1.00 22.80 O ATOM 501 CB LEU A 70 21.074 -19.845 9.896 1.00 13.88 C ATOM 502 CG LEU A 70 20.208 -19.631 8.647 1.00 17.83 C ATOM 503 CD1 LEU A 70 19.477 -20.930 8.274 1.00 19.18 C ATOM 504 CD2 LEU A 70 19.236 -18.433 8.865 1.00 14.54 C ATOM 505 N ASP A 71 24.173 -19.051 11.454 1.00 15.48 N ATOM 506 CA ASP A 71 25.000 -19.314 12.663 1.00 15.19 C ATOM 507 C ASP A 71 24.557 -18.418 13.830 1.00 20.94 C ATOM 508 O ASP A 71 24.492 -18.858 14.990 1.00 22.15 O ATOM 509 CB ASP A 71 26.476 -19.042 12.348 1.00 15.86 C ATOM 510 CG ASP A 71 27.186 -20.252 11.709 1.00 30.34 C ATOM 511 OD1 ASP A 71 26.527 -21.288 11.446 1.00 31.70 O ATOM 512 OD2 ASP A 71 28.426 -20.192 11.567 1.00 35.57 O ATOM 513 N SER A 72 24.232 -17.173 13.482 1.00 15.04 N ATOM 514 CA SER A 72 23.810 -16.115 14.399 1.00 16.61 C ATOM 515 C SER A 72 22.334 -16.127 14.865 1.00 24.24 C ATOM 516 O SER A 72 21.864 -15.186 15.518 1.00 23.34 O ATOM 517 CB SER A 72 24.110 -14.765 13.729 1.00 20.45 C ATOM 518 OG SER A 72 23.561 -14.741 12.403 1.00 22.67 O ATOM 519 N GLY A 73 21.582 -17.154 14.503 1.00 20.42 N ATOM 520 CA GLY A 73 20.201 -17.244 14.932 1.00 19.96 C ATOM 521 C GLY A 73 19.487 -18.090 13.900 1.00 21.32 C ATOM 522 O GLY A 73 19.409 -17.682 12.741 1.00 18.32 O ATOM 523 N LYS A 74 19.056 -19.294 14.285 1.00 15.40 N ATOM 524 CA LYS A 74 18.470 -20.205 13.304 1.00 15.18 C ATOM 525 C LYS A 74 16.976 -20.005 13.097 1.00 16.57 C ATOM 526 O LYS A 74 16.425 -20.444 12.109 1.00 16.83 O ATOM 527 CB LYS A 74 18.763 -21.669 13.686 1.00 18.82 C ATOM 528 CG LYS A 74 20.291 -21.917 13.785 1.00 26.65 C ATOM 529 CD LYS A 74 20.747 -23.170 13.095 1.00 34.09 C ATOM 530 CE LYS A 74 22.279 -23.195 13.020 1.00 41.09 C ATOM 531 NZ LYS A 74 22.908 -22.744 14.279 1.00 43.02 N ATOM 532 N GLU A 75 16.316 -19.358 14.060 1.00 12.90 N ATOM 533 CA GLU A 75 14.885 -19.222 14.016 1.00 13.82 C ATOM 534 C GLU A 75 14.479 -17.888 13.389 1.00 19.87 C ATOM 535 O GLU A 75 14.953 -16.838 13.816 1.00 19.16 O ATOM 536 CB GLU A 75 14.304 -19.342 15.444 1.00 15.58 C ATOM 537 CG GLU A 75 12.819 -19.067 15.508 1.00 28.82 C ATOM 538 CD GLU A 75 11.973 -20.316 15.525 1.00 64.49 C ATOM 539 OE1 GLU A 75 11.616 -20.799 14.433 1.00 59.76 O ATOM 540 OE2 GLU A 75 11.575 -20.748 16.630 1.00 67.44 O ATOM 541 N LEU A 76 13.593 -17.959 12.392 1.00 14.55 N ATOM 542 CA LEU A 76 13.119 -16.779 11.672 1.00 13.35 C ATOM 543 C LEU A 76 11.738 -16.459 12.203 1.00 15.59 C ATOM 544 O LEU A 76 10.786 -17.204 11.953 1.00 15.51 O ATOM 545 CB LEU A 76 13.069 -17.084 10.171 1.00 12.36 C ATOM 546 CG LEU A 76 14.423 -17.436 9.541 1.00 17.20 C ATOM 547 CD1 LEU A 76 14.353 -17.396 7.981 1.00 17.12 C ATOM 548 CD2 LEU A 76 15.457 -16.393 10.006 1.00 14.72 C ATOM 549 N HIS A 77 11.642 -15.412 13.026 1.00 12.21 N ATOM 550 CA HIS A 77 10.369 -15.058 13.609 1.00 11.82 C ATOM 551 C HIS A 77 10.249 -13.603 14.039 1.00 14.12 C ATOM 552 O HIS A 77 11.217 -12.887 13.960 1.00 13.12 O ATOM 553 CB HIS A 77 10.000 -16.002 14.754 1.00 13.80 C ATOM 554 CG HIS A 77 10.802 -15.826 15.999 1.00 19.68 C ATOM 555 ND1 HIS A 77 12.164 -15.609 15.998 1.00 23.13 N ATOM 556 CD2 HIS A 77 10.459 -16.024 17.297 1.00 22.85 C ATOM 557 CE1 HIS A 77 12.609 -15.567 17.242 1.00 22.78 C ATOM 558 NE2 HIS A 77 11.597 -15.825 18.050 1.00 24.46 N ATOM 559 N ILE A 78 9.051 -13.183 14.472 1.00 12.81 N ATOM 560 CA ILE A 78 8.814 -11.803 14.924 1.00 11.52 C ATOM 561 C ILE A 78 8.183 -11.862 16.298 1.00 15.78 C ATOM 562 O ILE A 78 7.257 -12.670 16.505 1.00 15.88 O ATOM 563 CB ILE A 78 7.824 -11.092 13.935 1.00 12.61 C ATOM 564 CG1 ILE A 78 8.401 -11.001 12.521 1.00 13.21 C ATOM 565 CG2 ILE A 78 7.403 -9.696 14.434 1.00 11.97 C ATOM 566 CD1 ILE A 78 7.350 -10.642 11.492 1.00 12.92 C ATOM 567 N ASN A 79 8.609 -10.988 17.214 1.00 12.43 N ATOM 568 CA ASN A 79 7.993 -10.921 18.537 1.00 11.73 C ATOM 569 C ASN A 79 7.471 -9.515 18.719 1.00 13.95 C ATOM 570 O ASN A 79 8.155 -8.564 18.351 1.00 12.63 O ATOM 571 CB ASN A 79 9.014 -11.178 19.652 1.00 14.26 C ATOM 572 CG ASN A 79 9.516 -12.609 19.673 1.00 17.75 C ATOM 573 OD1 ASN A 79 8.836 -13.505 19.239 1.00 18.94 O ATOM 574 ND2 ASN A 79 10.715 -12.804 20.168 1.00 18.53 N ATOM 575 N LEU A 80 6.282 -9.382 19.300 1.00 12.03 N ATOM 576 CA LEU A 80 5.733 -8.037 19.576 1.00 12.68 C ATOM 577 C LEU A 80 5.664 -7.951 21.082 1.00 14.96 C ATOM 578 O LEU A 80 5.062 -8.806 21.731 1.00 12.31 O ATOM 579 CB LEU A 80 4.317 -7.857 19.009 1.00 13.67 C ATOM 580 CG LEU A 80 4.120 -8.179 17.528 1.00 17.66 C ATOM 581 CD1 LEU A 80 2.632 -7.857 17.161 1.00 16.70 C ATOM 582 CD2 LEU A 80 5.065 -7.299 16.716 1.00 20.54 C ATOM 583 N ILE A 81 6.194 -6.855 21.622 1.00 11.96 N ATOM 584 CA ILE A 81 6.354 -6.710 23.033 1.00 11.58 C ATOM 585 C ILE A 81 5.852 -5.408 23.589 1.00 12.38 C ATOM 586 O ILE A 81 6.572 -4.412 23.618 1.00 13.91 O ATOM 587 CB ILE A 81 7.857 -6.881 23.410 1.00 15.52 C ATOM 588 CG1 ILE A 81 8.431 -8.128 22.723 1.00 15.96 C ATOM 589 CG2 ILE A 81 7.999 -6.984 24.943 1.00 17.47 C ATOM 590 CD1 ILE A 81 9.917 -8.259 22.883 1.00 22.88 C ATOM 591 N PRO A 82 4.608 -5.387 24.021 1.00 11.93 N ATOM 592 CA PRO A 82 4.191 -4.143 24.657 1.00 11.08 C ATOM 593 C PRO A 82 4.642 -4.139 26.102 1.00 17.50 C ATOM 594 O PRO A 82 4.692 -5.190 26.774 1.00 19.34 O ATOM 595 CB PRO A 82 2.671 -4.170 24.557 1.00 14.10 C ATOM 596 CG PRO A 82 2.303 -5.634 24.443 1.00 19.48 C ATOM 597 CD PRO A 82 3.519 -6.387 23.957 1.00 15.72 C ATOM 598 N ASN A 83 5.027 -2.968 26.590 1.00 12.86 N ATOM 599 CA ASN A 83 5.495 -2.902 27.980 1.00 13.50 C ATOM 600 C ASN A 83 4.835 -1.711 28.637 1.00 16.94 C ATOM 601 O ASN A 83 5.192 -0.575 28.383 1.00 15.70 O ATOM 602 CB ASN A 83 7.023 -2.788 28.031 1.00 15.93 C ATOM 603 CG ASN A 83 7.567 -2.752 29.452 1.00 25.60 C ATOM 604 OD1 ASN A 83 6.819 -2.571 30.415 1.00 28.60 O ATOM 605 ND2 ASN A 83 8.870 -2.956 29.589 1.00 23.36 N ATOM 606 N LYS A 84 3.839 -1.989 29.471 1.00 16.84 N ATOM 607 CA LYS A 84 3.139 -0.928 30.163 1.00 18.63 C ATOM 608 C LYS A 84 3.971 -0.205 31.210 1.00 20.98 C ATOM 609 O LYS A 84 3.586 0.875 31.661 1.00 22.40 O ATOM 610 CB LYS A 84 1.880 -1.492 30.797 1.00 20.84 C ATOM 611 CG LYS A 84 0.855 -1.893 29.771 1.00 25.34 C ATOM 612 CD LYS A 84 -0.406 -2.454 30.442 1.00 36.11 C ATOM 613 CE LYS A 84 -1.409 -2.899 29.384 1.00 47.29 C ATOM 614 NZ LYS A 84 -2.769 -3.151 29.936 1.00 63.02 N ATOM 615 N GLN A 85 5.062 -0.816 31.655 1.00 19.61 N ATOM 616 CA GLN A 85 5.916 -0.183 32.670 1.00 19.50 C ATOM 617 C GLN A 85 6.540 1.073 32.134 1.00 22.02 C ATOM 618 O GLN A 85 6.554 2.108 32.804 1.00 20.95 O ATOM 619 CB GLN A 85 7.049 -1.125 33.127 1.00 20.64 C ATOM 620 CG GLN A 85 6.563 -2.372 33.906 1.00 27.06 C ATOM 621 CD GLN A 85 7.677 -3.390 34.230 1.00 41.91 C ATOM 622 OE1 GLN A 85 7.398 -4.520 34.657 1.00 31.81 O ATOM 623 NE2 GLN A 85 8.927 -2.983 34.065 1.00 28.21 N ATOM 624 N ASP A 86 7.073 0.987 30.918 1.00 17.65 N ATOM 625 CA ASP A 86 7.726 2.144 30.312 1.00 17.11 C ATOM 626 C ASP A 86 7.051 2.680 29.044 1.00 17.00 C ATOM 627 O ASP A 86 7.605 3.552 28.377 1.00 18.81 O ATOM 628 CB ASP A 86 9.231 1.907 30.126 1.00 19.94 C ATOM 629 CG ASP A 86 9.520 0.823 29.123 1.00 20.34 C ATOM 630 OD1 ASP A 86 8.533 0.289 28.608 1.00 22.29 O ATOM 631 OD2 ASP A 86 10.706 0.541 28.841 1.00 28.38 O ATOM 632 N ARG A 87 5.807 2.261 28.790 1.00 14.59 N ATOM 633 CA ARG A 87 5.008 2.766 27.689 1.00 13.74 C ATOM 634 C ARG A 87 5.761 2.612 26.381 1.00 16.01 C ATOM 635 O ARG A 87 5.802 3.530 25.565 1.00 16.04 O ATOM 636 CB ARG A 87 4.676 4.254 27.907 1.00 18.34 C ATOM 637 CG ARG A 87 3.259 4.624 27.554 1.00 32.04 C ATOM 638 CD ARG A 87 2.884 5.980 28.144 1.00 43.07 C ATOM 639 NE ARG A 87 3.477 7.064 27.371 1.00 50.60 N ATOM 640 CZ ARG A 87 3.516 8.329 27.771 1.00 65.48 C ATOM 641 NH1 ARG A 87 2.981 8.676 28.939 1.00 50.29 N ATOM 642 NH2 ARG A 87 4.082 9.246 26.995 1.00 46.57 N ATOM 643 N THR A 88 6.343 1.434 26.193 1.00 11.99 N ATOM 644 CA THR A 88 6.977 1.105 24.929 1.00 12.31 C ATOM 645 C THR A 88 6.280 -0.054 24.245 1.00 14.07 C ATOM 646 O THR A 88 5.701 -0.933 24.888 1.00 14.73 O ATOM 647 CB THR A 88 8.492 0.736 25.088 1.00 18.13 C ATOM 648 OG1 THR A 88 8.619 -0.388 25.973 1.00 16.22 O ATOM 649 CG2 THR A 88 9.296 1.922 25.561 1.00 15.93 C ATOM 650 N LEU A 89 6.443 -0.109 22.929 1.00 10.95 N ATOM 651 CA LEU A 89 5.997 -1.238 22.123 1.00 10.93 C ATOM 652 C LEU A 89 7.212 -1.569 21.288 1.00 14.19 C ATOM 653 O LEU A 89 7.716 -0.700 20.550 1.00 12.41 O ATOM 654 CB LEU A 89 4.857 -0.856 21.201 1.00 11.32 C ATOM 655 CG LEU A 89 4.477 -2.006 20.254 1.00 14.61 C ATOM 656 CD1 LEU A 89 4.160 -3.270 21.082 1.00 14.20 C ATOM 657 CD2 LEU A 89 3.303 -1.593 19.397 1.00 17.81 C ATOM 658 N THR A 90 7.711 -2.801 21.450 1.00 11.35 N ATOM 659 CA THR A 90 8.908 -3.220 20.736 1.00 11.02 C ATOM 660 C THR A 90 8.544 -4.312 19.729 1.00 14.63 C ATOM 661 O THR A 90 7.738 -5.197 20.044 1.00 12.02 O ATOM 662 CB THR A 90 9.948 -3.758 21.759 1.00 16.45 C ATOM 663 OG1 THR A 90 10.272 -2.724 22.696 1.00 15.99 O ATOM 664 CG2 THR A 90 11.201 -4.226 21.065 1.00 14.61 C ATOM 665 N ILE A 91 9.121 -4.221 18.530 1.00 11.48 N ATOM 666 CA ILE A 91 8.942 -5.258 17.520 1.00 11.97 C ATOM 667 C ILE A 91 10.335 -5.833 17.299 1.00 15.09 C ATOM 668 O ILE A 91 11.229 -5.107 16.892 1.00 13.10 O ATOM 669 CB ILE A 91 8.380 -4.685 16.201 1.00 15.89 C ATOM 670 CG1 ILE A 91 6.947 -4.165 16.430 1.00 20.48 C ATOM 671 CG2 ILE A 91 8.372 -5.793 15.147 1.00 16.55 C ATOM 672 CD1 ILE A 91 6.892 -2.788 17.035 1.00 32.06 C ATOM 673 N VAL A 92 10.495 -7.147 17.480 1.00 11.43 N ATOM 674 CA VAL A 92 11.813 -7.779 17.295 1.00 9.86 C ATOM 675 C VAL A 92 11.732 -8.798 16.179 1.00 13.65 C ATOM 676 O VAL A 92 10.805 -9.628 16.174 1.00 12.57 O ATOM 677 CB VAL A 92 12.243 -8.599 18.589 1.00 15.52 C ATOM 678 CG1 VAL A 92 13.578 -9.242 18.345 1.00 17.41 C ATOM 679 CG2 VAL A 92 12.297 -7.761 19.822 1.00 16.36 C ATOM 680 N ASP A 93 12.725 -8.814 15.282 1.00 10.64 N ATOM 681 CA ASP A 93 12.729 -9.865 14.279 1.00 10.22 C ATOM 682 C ASP A 93 14.138 -10.406 14.175 1.00 13.78 C ATOM 683 O ASP A 93 15.094 -9.761 14.593 1.00 14.34 O ATOM 684 CB ASP A 93 12.219 -9.372 12.904 1.00 13.30 C ATOM 685 CG ASP A 93 13.168 -8.373 12.236 1.00 13.72 C ATOM 686 OD1 ASP A 93 14.312 -8.757 11.878 1.00 13.10 O ATOM 687 OD2 ASP A 93 12.773 -7.203 12.096 1.00 13.24 O ATOM 688 N THR A 94 14.245 -11.601 13.617 1.00 7.72 N ATOM 689 CA THR A 94 15.535 -12.243 13.428 1.00 9.46 C ATOM 690 C THR A 94 15.870 -12.227 11.935 1.00 11.39 C ATOM 691 O THR A 94 16.426 -13.195 11.385 1.00 10.10 O ATOM 692 CB THR A 94 15.567 -13.668 14.036 1.00 18.05 C ATOM 693 OG1 THR A 94 14.408 -14.393 13.578 1.00 11.58 O ATOM 694 CG2 THR A 94 15.519 -13.552 15.607 1.00 14.82 C ATOM 695 N GLY A 95 15.578 -11.096 11.282 1.00 9.23 N ATOM 696 CA GLY A 95 15.913 -10.973 9.867 1.00 8.89 C ATOM 697 C GLY A 95 17.403 -10.734 9.614 1.00 11.23 C ATOM 698 O GLY A 95 18.266 -10.903 10.503 1.00 10.80 O ATOM 699 N ILE A 96 17.714 -10.324 8.373 1.00 10.96 N ATOM 700 CA ILE A 96 19.078 -10.107 7.968 1.00 11.06 C ATOM 701 C ILE A 96 19.801 -8.962 8.691 1.00 12.60 C ATOM 702 O ILE A 96 21.022 -8.918 8.737 1.00 13.60 O ATOM 703 CB ILE A 96 19.151 -9.946 6.432 1.00 13.14 C ATOM 704 CG1 ILE A 96 20.598 -10.059 5.981 1.00 16.68 C ATOM 705 CG2 ILE A 96 18.514 -8.594 6.039 1.00 14.27 C ATOM 706 CD1 ILE A 96 20.746 -10.727 4.667 1.00 26.54 C ATOM 707 N GLY A 97 19.059 -8.042 9.296 1.00 10.56 N ATOM 708 CA GLY A 97 19.670 -6.953 10.026 1.00 10.16 C ATOM 709 C GLY A 97 20.235 -5.913 9.061 1.00 11.40 C ATOM 710 O GLY A 97 20.179 -6.079 7.840 1.00 11.46 O ATOM 711 N MET A 98 20.817 -4.860 9.613 1.00 9.75 N ATOM 712 CA MET A 98 21.369 -3.814 8.761 1.00 8.12 C ATOM 713 C MET A 98 22.816 -3.557 9.159 1.00 15.27 C ATOM 714 O MET A 98 23.148 -3.569 10.344 1.00 14.55 O ATOM 715 CB MET A 98 20.545 -2.529 9.023 1.00 10.70 C ATOM 716 CG MET A 98 19.221 -2.527 8.273 1.00 12.29 C ATOM 717 SD MET A 98 18.182 -1.104 8.699 1.00 15.45 S ATOM 718 CE MET A 98 17.755 -1.587 10.406 1.00 14.19 C ATOM 719 N THR A 99 23.641 -3.196 8.179 1.00 10.60 N ATOM 720 CA THR A 99 24.976 -2.757 8.447 1.00 12.59 C ATOM 721 C THR A 99 24.908 -1.273 8.834 1.00 14.48 C ATOM 722 O THR A 99 23.851 -0.618 8.813 1.00 14.61 O ATOM 723 CB THR A 99 25.834 -2.860 7.199 1.00 15.14 C ATOM 724 OG1 THR A 99 25.295 -1.970 6.197 1.00 15.04 O ATOM 725 CG2 THR A 99 25.807 -4.314 6.673 1.00 14.36 C ATOM 726 N LYS A 100 26.060 -0.721 9.164 1.00 11.44 N ATOM 727 CA LYS A 100 26.075 0.678 9.508 1.00 11.38 C ATOM 728 C LYS A 100 25.625 1.540 8.333 1.00 13.37 C ATOM 729 O LYS A 100 24.800 2.456 8.506 1.00 13.96 O ATOM 730 CB LYS A 100 27.489 1.098 9.892 1.00 14.47 C ATOM 731 CG LYS A 100 27.514 2.448 10.596 1.00 17.42 C ATOM 732 CD LYS A 100 28.999 2.771 10.805 1.00 24.99 C ATOM 733 CE LYS A 100 29.235 4.109 11.434 1.00 35.94 C ATOM 734 NZ LYS A 100 30.716 4.411 11.320 1.00 24.33 N ATOM 735 N ALA A 101 26.135 1.218 7.140 1.00 12.65 N ATOM 736 CA ALA A 101 25.785 1.977 5.938 1.00 12.47 C ATOM 737 C ALA A 101 24.294 1.813 5.682 1.00 14.87 C ATOM 738 O ALA A 101 23.617 2.782 5.360 1.00 14.31 O ATOM 739 CB ALA A 101 26.598 1.528 4.718 1.00 13.83 C ATOM 740 N ASP A 102 23.755 0.602 5.893 1.00 11.85 N ATOM 741 CA ASP A 102 22.297 0.392 5.656 1.00 11.69 C ATOM 742 C ASP A 102 21.481 1.297 6.605 1.00 15.19 C ATOM 743 O ASP A 102 20.459 1.894 6.189 1.00 13.55 O ATOM 744 CB ASP A 102 21.893 -1.049 5.907 1.00 14.62 C ATOM 745 CG ASP A 102 22.546 -2.035 4.935 1.00 19.30 C ATOM 746 OD1 ASP A 102 23.003 -1.591 3.836 1.00 18.18 O ATOM 747 OD2 ASP A 102 22.573 -3.263 5.269 1.00 19.83 O ATOM 748 N LEU A 103 21.872 1.378 7.880 1.00 14.75 N ATOM 749 CA LEU A 103 21.151 2.285 8.796 1.00 16.02 C ATOM 750 C LEU A 103 21.215 3.724 8.285 1.00 16.87 C ATOM 751 O LEU A 103 20.233 4.430 8.214 1.00 15.95 O ATOM 752 CB LEU A 103 21.748 2.278 10.210 1.00 16.56 C ATOM 753 CG LEU A 103 21.329 1.245 11.234 1.00 18.93 C ATOM 754 CD1 LEU A 103 22.082 1.561 12.509 1.00 16.89 C ATOM 755 CD2 LEU A 103 19.823 1.244 11.476 1.00 18.19 C ATOM 756 N ILE A 104 22.423 4.188 8.024 1.00 11.28 N ATOM 757 CA ILE A 104 22.641 5.564 7.595 1.00 11.19 C ATOM 758 C ILE A 104 21.883 5.913 6.304 1.00 13.45 C ATOM 759 O ILE A 104 21.330 6.995 6.200 1.00 16.35 O ATOM 760 CB ILE A 104 24.162 5.798 7.496 1.00 13.60 C ATOM 761 CG1 ILE A 104 24.757 5.931 8.905 1.00 14.65 C ATOM 762 CG2 ILE A 104 24.526 6.980 6.566 1.00 15.49 C ATOM 763 CD1 ILE A 104 26.258 5.712 8.930 1.00 21.53 C ATOM 764 N ASN A 105 21.896 5.000 5.313 1.00 10.41 N ATOM 765 CA ASN A 105 21.206 5.200 4.049 1.00 11.33 C ATOM 766 C ASN A 105 19.701 5.094 4.180 1.00 13.91 C ATOM 767 O ASN A 105 18.966 5.815 3.521 1.00 15.03 O ATOM 768 CB ASN A 105 21.681 4.164 2.954 1.00 9.34 C ATOM 769 CG ASN A 105 23.083 4.463 2.464 1.00 17.59 C ATOM 770 OD1 ASN A 105 23.480 5.636 2.398 1.00 18.26 O ATOM 771 ND2 ASN A 105 23.857 3.425 2.144 1.00 15.70 N ATOM 772 N ASN A 106 19.236 4.111 4.939 1.00 13.39 N ATOM 773 CA ASN A 106 17.797 3.852 5.003 1.00 13.60 C ATOM 774 C ASN A 106 17.061 4.688 6.021 1.00 16.49 C ATOM 775 O ASN A 106 15.848 4.882 5.904 1.00 16.67 O ATOM 776 CB ASN A 106 17.533 2.393 5.331 1.00 15.30 C ATOM 777 CG ASN A 106 17.653 1.507 4.133 1.00 30.81 C ATOM 778 OD1 ASN A 106 17.429 1.946 3.012 1.00 32.00 O ATOM 779 ND2 ASN A 106 18.011 0.240 4.358 1.00 36.38 N ATOM 780 N LEU A 107 17.777 5.107 7.054 1.00 12.70 N ATOM 781 CA LEU A 107 17.144 5.812 8.152 1.00 13.29 C ATOM 782 C LEU A 107 17.465 7.271 8.280 1.00 16.73 C ATOM 783 O LEU A 107 17.507 7.814 9.393 1.00 16.57 O ATOM 784 CB LEU A 107 17.329 5.039 9.470 1.00 12.73 C ATOM 785 CG LEU A 107 16.616 3.678 9.491 1.00 15.92 C ATOM 786 CD1 LEU A 107 16.592 3.059 10.893 1.00 15.96 C ATOM 787 CD2 LEU A 107 15.188 3.698 8.887 1.00 20.18 C ATOM 788 N GLY A 108 17.690 7.942 7.150 1.00 14.40 N ATOM 789 CA GLY A 108 17.657 9.381 7.221 1.00 16.04 C ATOM 790 C GLY A 108 18.616 10.306 6.531 1.00 18.71 C ATOM 791 O GLY A 108 18.334 11.483 6.382 1.00 17.98 O ATOM 792 N THR A 109 19.798 9.812 6.231 1.00 14.94 N ATOM 793 CA THR A 109 20.849 10.684 5.737 1.00 18.00 C ATOM 794 C THR A 109 20.673 11.130 4.276 1.00 24.03 C ATOM 795 O THR A 109 21.215 12.166 3.843 1.00 25.42 O ATOM 796 CB THR A 109 22.143 9.899 5.953 1.00 25.50 C ATOM 797 OG1 THR A 109 23.154 10.694 6.557 1.00 35.27 O ATOM 798 CG2 THR A 109 22.556 9.204 4.700 1.00 15.06 C ATOM 799 N ILE A 110 19.962 10.334 3.494 1.00 18.89 N ATOM 800 CA ILE A 110 19.793 10.650 2.094 1.00 18.68 C ATOM 801 C ILE A 110 18.333 10.713 1.701 1.00 22.68 C ATOM 802 O ILE A 110 17.457 10.145 2.364 1.00 22.43 O ATOM 803 CB ILE A 110 20.493 9.605 1.204 1.00 22.62 C ATOM 804 CG1 ILE A 110 19.855 8.234 1.406 1.00 21.72 C ATOM 805 CG2 ILE A 110 21.999 9.603 1.484 1.00 25.36 C ATOM 806 CD1 ILE A 110 20.535 7.144 0.582 1.00 24.15 C ATOM 807 N ALA A 111 18.087 11.370 0.575 1.00 19.51 N ATOM 808 CA ALA A 111 16.736 11.513 0.050 1.00 20.37 C ATOM 809 C ALA A 111 16.132 10.182 -0.314 1.00 24.70 C ATOM 810 O ALA A 111 16.836 9.287 -0.759 1.00 26.02 O ATOM 811 CB ALA A 111 16.752 12.424 -1.208 1.00 21.98 C ATOM 812 N LYS A 112 14.821 10.071 -0.151 1.00 19.81 N ATOM 813 CA LYS A 112 14.085 8.898 -0.582 1.00 19.88 C ATOM 814 C LYS A 112 13.226 9.411 -1.749 1.00 24.50 C ATOM 815 O LYS A 112 12.643 10.481 -1.662 1.00 24.72 O ATOM 816 CB LYS A 112 13.176 8.366 0.551 1.00 22.77 C ATOM 817 CG LYS A 112 13.925 7.561 1.670 1.00 27.23 C ATOM 818 CD LYS A 112 14.102 6.104 1.245 1.00 39.78 C ATOM 819 CE LYS A 112 15.206 5.368 2.032 1.00 44.97 C ATOM 820 NZ LYS A 112 16.613 5.494 1.454 1.00 33.35 N ATOM 821 N SER A 113 13.188 8.661 -2.838 1.00 22.07 N ATOM 822 CA SER A 113 12.439 9.023 -4.031 1.00 23.23 C ATOM 823 C SER A 113 11.010 9.520 -3.786 1.00 28.52 C ATOM 824 O SER A 113 10.514 10.407 -4.491 1.00 26.51 O ATOM 825 CB SER A 113 12.311 7.788 -4.941 1.00 26.64 C ATOM 826 OG SER A 113 13.548 7.140 -5.114 1.00 44.39 O ATOM 827 N GLY A 114 10.295 8.863 -2.882 1.00 25.23 N ATOM 828 CA GLY A 114 8.892 9.197 -2.737 1.00 25.10 C ATOM 829 C GLY A 114 8.513 10.258 -1.723 1.00 27.24 C ATOM 830 O GLY A 114 7.337 10.609 -1.594 1.00 24.85 O ATOM 831 N THR A 115 9.499 10.817 -1.044 1.00 22.22 N ATOM 832 CA THR A 115 9.190 11.783 0.008 1.00 20.94 C ATOM 833 C THR A 115 8.333 12.976 -0.402 1.00 22.72 C ATOM 834 O THR A 115 7.331 13.274 0.242 1.00 21.58 O ATOM 835 CB THR A 115 10.446 12.243 0.766 1.00 24.72 C ATOM 836 OG1 THR A 115 11.270 11.112 1.063 1.00 25.34 O ATOM 837 CG2 THR A 115 10.043 12.946 2.064 1.00 20.66 C ATOM 838 N LYS A 116 8.805 13.716 -1.398 1.00 19.65 N ATOM 839 CA LYS A 116 8.123 14.925 -1.833 1.00 19.00 C ATOM 840 C LYS A 116 6.705 14.617 -2.288 1.00 21.05 C ATOM 841 O LYS A 116 5.737 15.288 -1.893 1.00 21.25 O ATOM 842 CB LYS A 116 8.919 15.592 -2.964 1.00 21.52 C ATOM 843 CG LYS A 116 9.998 16.547 -2.468 1.00 37.95 C ATOM 844 CD LYS A 116 10.731 17.207 -3.630 1.00 46.42 C ATOM 845 CE LYS A 116 11.797 16.283 -4.198 1.00 57.73 C ATOM 846 NZ LYS A 116 12.676 16.988 -5.170 1.00 70.70 N ATOM 847 N ALA A 117 6.576 13.615 -3.143 1.00 19.33 N ATOM 848 CA ALA A 117 5.265 13.268 -3.655 1.00 20.05 C ATOM 849 C ALA A 117 4.354 12.835 -2.539 1.00 22.22 C ATOM 850 O ALA A 117 3.148 13.115 -2.547 1.00 24.34 O ATOM 851 CB ALA A 117 5.377 12.184 -4.707 1.00 21.42 C ATOM 852 N PHE A 118 4.917 12.164 -1.547 1.00 19.17 N ATOM 853 CA PHE A 118 4.101 11.710 -0.451 1.00 17.60 C ATOM 854 C PHE A 118 3.606 12.870 0.372 1.00 20.62 C ATOM 855 O PHE A 118 2.427 12.943 0.710 1.00 20.10 O ATOM 856 CB PHE A 118 4.781 10.657 0.405 1.00 19.17 C ATOM 857 CG PHE A 118 3.902 10.165 1.528 1.00 20.64 C ATOM 858 CD1 PHE A 118 2.605 9.735 1.252 1.00 23.53 C ATOM 859 CD2 PHE A 118 4.269 10.342 2.856 1.00 22.57 C ATOM 860 CE1 PHE A 118 1.751 9.333 2.278 1.00 23.39 C ATOM 861 CE2 PHE A 118 3.422 9.941 3.883 1.00 25.60 C ATOM 862 CZ PHE A 118 2.169 9.429 3.587 1.00 24.15 C ATOM 863 N MET A 119 4.471 13.850 0.606 1.00 19.10 N ATOM 864 CA MET A 119 4.052 15.029 1.352 1.00 17.59 C ATOM 865 C MET A 119 2.969 15.744 0.549 1.00 22.79 C ATOM 866 O MET A 119 1.991 16.204 1.116 1.00 20.58 O ATOM 867 CB MET A 119 5.239 15.949 1.590 1.00 19.06 C ATOM 868 CG MET A 119 6.266 15.327 2.503 1.00 22.34 C ATOM 869 SD MET A 119 7.397 16.526 3.157 1.00 27.08 S ATOM 870 CE MET A 119 8.322 16.838 1.668 1.00 23.43 C ATOM 871 N GLU A 120 3.144 15.827 -0.774 1.00 19.59 N ATOM 872 CA GLU A 120 2.134 16.501 -1.586 1.00 20.07 C ATOM 873 C GLU A 120 0.785 15.788 -1.509 1.00 24.27 C ATOM 874 O GLU A 120 -0.243 16.431 -1.450 1.00 25.73 O ATOM 875 CB GLU A 120 2.607 16.708 -3.041 1.00 20.88 C ATOM 876 CG GLU A 120 3.730 17.734 -3.132 1.00 28.26 C ATOM 877 CD GLU A 120 4.264 17.945 -4.533 1.00 44.88 C ATOM 878 OE1 GLU A 120 5.498 18.035 -4.679 1.00 35.33 O ATOM 879 OE2 GLU A 120 3.458 18.138 -5.467 1.00 29.99 O ATOM 880 N ALA A 121 0.805 14.461 -1.448 1.00 20.35 N ATOM 881 CA ALA A 121 -0.415 13.664 -1.309 1.00 20.82 C ATOM 882 C ALA A 121 -1.050 13.909 0.046 1.00 24.37 C ATOM 883 O ALA A 121 -2.267 14.049 0.153 1.00 21.76 O ATOM 884 CB ALA A 121 -0.090 12.217 -1.452 1.00 21.77 C ATOM 885 N LEU A 122 -0.231 13.965 1.093 1.00 20.73 N ATOM 886 CA LEU A 122 -0.771 14.196 2.430 1.00 22.92 C ATOM 887 C LEU A 122 -1.441 15.545 2.454 1.00 30.23 C ATOM 888 O LEU A 122 -2.586 15.692 2.901 1.00 29.68 O ATOM 889 CB LEU A 122 0.334 14.154 3.469 1.00 23.89 C ATOM 890 CG LEU A 122 0.787 12.754 3.848 1.00 27.42 C ATOM 891 CD1 LEU A 122 1.846 12.916 4.967 1.00 26.47 C ATOM 892 CD2 LEU A 122 -0.393 11.901 4.329 1.00 25.55 C ATOM 893 N GLN A 123 -0.736 16.523 1.915 1.00 28.92 N ATOM 894 CA GLN A 123 -1.242 17.883 1.858 1.00 30.05 C ATOM 895 C GLN A 123 -2.576 17.992 1.118 1.00 36.66 C ATOM 896 O GLN A 123 -3.388 18.857 1.442 1.00 37.79 O ATOM 897 CB GLN A 123 -0.161 18.832 1.318 1.00 31.28 C ATOM 898 CG GLN A 123 1.019 18.942 2.304 1.00 32.96 C ATOM 899 CD GLN A 123 2.241 19.646 1.733 1.00 56.61 C ATOM 900 OE1 GLN A 123 2.901 20.425 2.426 1.00 53.80 O ATOM 901 NE2 GLN A 123 2.594 19.314 0.495 1.00 48.10 N ATOM 902 N ALA A 124 -2.840 17.039 0.221 1.00 33.68 N ATOM 903 CA ALA A 124 -4.091 16.970 -0.528 1.00 34.42 C ATOM 904 C ALA A 124 -5.152 16.172 0.224 1.00 41.83 C ATOM 905 O ALA A 124 -6.277 16.008 -0.263 1.00 42.45 O ATOM 906 CB ALA A 124 -3.855 16.347 -1.891 1.00 34.81 C ATOM 907 N GLY A 125 -4.792 15.634 1.387 1.00 37.74 N ATOM 908 CA GLY A 125 -5.745 14.866 2.166 1.00 36.26 C ATOM 909 C GLY A 125 -5.657 13.357 2.024 1.00 37.25 C ATOM 910 O GLY A 125 -6.574 12.638 2.424 1.00 37.61 O ATOM 911 N ALA A 126 -4.554 12.861 1.469 1.00 30.10 N ATOM 912 CA ALA A 126 -4.393 11.426 1.331 1.00 28.02 C ATOM 913 C ALA A 126 -4.427 10.812 2.733 1.00 28.17 C ATOM 914 O ALA A 126 -4.161 11.489 3.738 1.00 26.80 O ATOM 915 CB ALA A 126 -3.061 11.097 0.643 1.00 28.70 C ATOM 916 N ASP A 127 -4.750 9.529 2.797 1.00 24.03 N ATOM 917 CA ASP A 127 -4.743 8.863 4.071 1.00 24.21 C ATOM 918 C ASP A 127 -3.306 8.467 4.357 1.00 25.78 C ATOM 919 O ASP A 127 -2.557 8.091 3.445 1.00 25.28 O ATOM 920 CB ASP A 127 -5.620 7.630 4.077 1.00 27.13 C ATOM 921 CG ASP A 127 -5.871 7.120 5.489 1.00 35.74 C ATOM 922 OD1 ASP A 127 -6.640 7.780 6.266 1.00 34.21 O ATOM 923 OD2 ASP A 127 -5.258 6.082 5.813 1.00 35.15 O ATOM 924 N ILE A 128 -2.925 8.584 5.622 1.00 20.38 N ATOM 925 CA ILE A 128 -1.565 8.258 6.024 1.00 19.44 C ATOM 926 C ILE A 128 -1.182 6.826 5.607 1.00 19.51 C ATOM 927 O ILE A 128 -0.006 6.513 5.426 1.00 16.34 O ATOM 928 CB ILE A 128 -1.371 8.497 7.534 1.00 21.80 C ATOM 929 CG1 ILE A 128 0.126 8.560 7.880 1.00 22.17 C ATOM 930 CG2 ILE A 128 -2.100 7.421 8.329 1.00 23.27 C ATOM 931 CD1 ILE A 128 0.817 9.861 7.471 1.00 25.31 C ATOM 932 N SER A 129 -2.181 5.957 5.454 1.00 21.38 N ATOM 933 CA SER A 129 -1.942 4.578 5.042 1.00 21.77 C ATOM 934 C SER A 129 -1.127 4.410 3.746 1.00 23.34 C ATOM 935 O SER A 129 -0.510 3.377 3.525 1.00 22.73 O ATOM 936 CB SER A 129 -3.272 3.825 4.938 1.00 28.31 C ATOM 937 OG SER A 129 -3.052 2.487 4.509 1.00 43.74 O ATOM 938 N MET A 130 -1.115 5.434 2.903 1.00 23.13 N ATOM 939 CA MET A 130 -0.373 5.399 1.633 1.00 24.69 C ATOM 940 C MET A 130 1.134 5.452 1.840 1.00 24.33 C ATOM 941 O MET A 130 1.932 5.159 0.927 1.00 24.37 O ATOM 942 CB MET A 130 -0.801 6.606 0.782 1.00 29.03 C ATOM 943 CG MET A 130 -2.214 6.482 0.252 1.00 35.81 C ATOM 944 SD MET A 130 -2.246 4.970 -0.710 1.00 42.20 S ATOM 945 CE MET A 130 -1.226 5.523 -2.151 1.00 38.51 C ATOM 946 N ILE A 131 1.534 5.821 3.048 1.00 20.12 N ATOM 947 CA ILE A 131 2.964 6.005 3.359 1.00 18.31 C ATOM 948 C ILE A 131 3.888 4.886 2.885 1.00 22.09 C ATOM 949 O ILE A 131 5.016 5.139 2.450 1.00 22.08 O ATOM 950 CB ILE A 131 3.164 6.323 4.866 1.00 18.90 C ATOM 951 CG1 ILE A 131 4.622 6.755 5.154 1.00 20.36 C ATOM 952 CG2 ILE A 131 2.834 5.110 5.686 1.00 16.60 C ATOM 953 CD1 ILE A 131 4.813 7.471 6.492 1.00 17.99 C ATOM 954 N GLY A 132 3.463 3.647 3.084 1.00 20.70 N ATOM 955 CA GLY A 132 4.282 2.500 2.720 1.00 20.23 C ATOM 956 C GLY A 132 4.599 2.465 1.229 1.00 23.01 C ATOM 957 O GLY A 132 5.735 2.217 0.835 1.00 21.90 O ATOM 958 N GLN A 133 3.586 2.677 0.394 1.00 20.19 N ATOM 959 CA GLN A 133 3.848 2.669 -1.048 1.00 21.08 C ATOM 960 C GLN A 133 4.918 3.656 -1.463 1.00 24.31 C ATOM 961 O GLN A 133 5.563 3.484 -2.516 1.00 23.67 O ATOM 962 CB GLN A 133 2.567 2.985 -1.804 1.00 22.68 C ATOM 963 CG GLN A 133 1.474 1.981 -1.600 1.00 27.50 C ATOM 964 CD GLN A 133 0.143 2.515 -2.075 1.00 51.11 C ATOM 965 OE1 GLN A 133 0.040 3.035 -3.180 1.00 45.55 O ATOM 966 NE2 GLN A 133 -0.856 2.485 -1.203 1.00 46.27 N ATOM 967 N PHE A 134 5.007 4.769 -0.731 1.00 21.11 N ATOM 968 CA PHE A 134 5.947 5.829 -1.084 1.00 20.39 C ATOM 969 C PHE A 134 7.375 5.587 -0.620 1.00 25.35 C ATOM 970 O PHE A 134 8.241 6.427 -0.845 1.00 27.14 O ATOM 971 CB PHE A 134 5.453 7.197 -0.625 1.00 21.91 C ATOM 972 CG PHE A 134 4.305 7.734 -1.426 1.00 22.25 C ATOM 973 CD1 PHE A 134 3.006 7.444 -1.074 1.00 25.23 C ATOM 974 CD2 PHE A 134 4.542 8.613 -2.498 1.00 25.82 C ATOM 975 CE1 PHE A 134 1.943 7.996 -1.775 1.00 25.78 C ATOM 976 CE2 PHE A 134 3.498 9.176 -3.193 1.00 27.12 C ATOM 977 CZ PHE A 134 2.207 8.863 -2.856 1.00 25.92 C ATOM 978 N GLY A 135 7.620 4.449 0.028 1.00 19.19 N ATOM 979 CA GLY A 135 8.962 4.068 0.436 1.00 19.37 C ATOM 980 C GLY A 135 9.416 4.697 1.739 1.00 21.45 C ATOM 981 O GLY A 135 10.544 4.473 2.169 1.00 21.18 O ATOM 982 N VAL A 136 8.535 5.458 2.377 1.00 19.90 N ATOM 983 CA VAL A 136 8.881 6.110 3.649 1.00 19.41 C ATOM 984 C VAL A 136 8.092 5.513 4.808 1.00 20.62 C ATOM 985 O VAL A 136 7.852 6.208 5.800 1.00 17.65 O ATOM 986 CB VAL A 136 8.724 7.668 3.575 1.00 22.46 C ATOM 987 CG1 VAL A 136 9.900 8.270 2.785 1.00 22.08 C ATOM 988 CG2 VAL A 136 7.431 8.047 2.876 1.00 21.81 C ATOM 989 N GLY A 137 7.690 4.245 4.684 1.00 17.58 N ATOM 990 CA GLY A 137 6.871 3.599 5.715 1.00 16.46 C ATOM 991 C GLY A 137 7.435 3.632 7.122 1.00 15.38 C ATOM 992 O GLY A 137 6.685 3.727 8.104 1.00 14.33 O ATOM 993 N PHE A 138 8.760 3.565 7.252 1.00 12.04 N ATOM 994 CA PHE A 138 9.348 3.531 8.613 1.00 12.22 C ATOM 995 C PHE A 138 8.874 4.734 9.461 1.00 10.10 C ATOM 996 O PHE A 138 8.594 4.606 10.646 1.00 11.66 O ATOM 997 CB PHE A 138 10.881 3.574 8.490 1.00 14.93 C ATOM 998 CG PHE A 138 11.552 3.906 9.779 1.00 15.45 C ATOM 999 CD1 PHE A 138 11.487 3.005 10.843 1.00 17.40 C ATOM 1000 CD2 PHE A 138 12.100 5.157 9.989 1.00 15.53 C ATOM 1001 CE1 PHE A 138 12.026 3.340 12.080 1.00 17.69 C ATOM 1002 CE2 PHE A 138 12.671 5.479 11.212 1.00 15.05 C ATOM 1003 CZ PHE A 138 12.607 4.583 12.256 1.00 14.28 C ATOM 1004 N TYR A 139 8.793 5.891 8.817 1.00 9.11 N ATOM 1005 CA TYR A 139 8.445 7.140 9.511 1.00 8.88 C ATOM 1006 C TYR A 139 7.060 7.183 10.098 1.00 11.12 C ATOM 1007 O TYR A 139 6.767 8.015 10.967 1.00 12.08 O ATOM 1008 CB TYR A 139 8.740 8.339 8.592 1.00 9.01 C ATOM 1009 CG TYR A 139 10.245 8.434 8.318 1.00 10.90 C ATOM 1010 CD1 TYR A 139 11.140 8.819 9.314 1.00 12.55 C ATOM 1011 CD2 TYR A 139 10.766 7.982 7.108 1.00 12.38 C ATOM 1012 CE1 TYR A 139 12.559 8.822 9.063 1.00 13.38 C ATOM 1013 CE2 TYR A 139 12.132 8.017 6.831 1.00 12.73 C ATOM 1014 CZ TYR A 139 13.024 8.444 7.807 1.00 13.76 C ATOM 1015 OH TYR A 139 14.391 8.317 7.574 1.00 14.85 O ATOM 1016 N SER A 140 6.217 6.236 9.698 1.00 11.75 N ATOM 1017 CA SER A 140 4.894 6.085 10.318 1.00 13.35 C ATOM 1018 C SER A 140 5.009 5.803 11.825 1.00 13.52 C ATOM 1019 O SER A 140 4.061 6.098 12.614 1.00 13.01 O ATOM 1020 CB SER A 140 4.112 4.934 9.642 1.00 14.41 C ATOM 1021 OG SER A 140 4.707 3.688 9.931 1.00 11.28 O ATOM 1022 N ALA A 141 6.201 5.364 12.269 1.00 10.64 N ATOM 1023 CA ALA A 141 6.382 5.110 13.680 1.00 11.53 C ATOM 1024 C ALA A 141 6.120 6.421 14.443 1.00 12.53 C ATOM 1025 O ALA A 141 5.669 6.393 15.584 1.00 13.27 O ATOM 1026 CB ALA A 141 7.788 4.582 14.005 1.00 11.20 C ATOM 1027 N TYR A 142 6.460 7.547 13.831 1.00 13.00 N ATOM 1028 CA TYR A 142 6.279 8.846 14.486 1.00 11.23 C ATOM 1029 C TYR A 142 4.837 9.356 14.622 1.00 13.78 C ATOM 1030 O TYR A 142 4.554 10.388 15.272 1.00 13.29 O ATOM 1031 CB TYR A 142 7.223 9.903 13.922 1.00 10.06 C ATOM 1032 CG TYR A 142 8.669 9.597 14.261 1.00 9.05 C ATOM 1033 CD1 TYR A 142 9.194 9.989 15.484 1.00 12.12 C ATOM 1034 CD2 TYR A 142 9.428 8.761 13.449 1.00 10.94 C ATOM 1035 CE1 TYR A 142 10.505 9.686 15.851 1.00 11.01 C ATOM 1036 CE2 TYR A 142 10.740 8.390 13.821 1.00 12.79 C ATOM 1037 CZ TYR A 142 11.235 8.819 15.041 1.00 13.07 C ATOM 1038 OH TYR A 142 12.515 8.494 15.397 1.00 13.98 O ATOM 1039 N LEU A 143 3.918 8.595 14.061 1.00 12.24 N ATOM 1040 CA LEU A 143 2.500 8.887 14.220 1.00 11.48 C ATOM 1041 C LEU A 143 2.137 8.563 15.652 1.00 15.31 C ATOM 1042 O LEU A 143 1.278 9.228 16.220 1.00 14.83 O ATOM 1043 CB LEU A 143 1.676 7.959 13.316 1.00 11.16 C ATOM 1044 CG LEU A 143 1.787 8.260 11.821 1.00 14.47 C ATOM 1045 CD1 LEU A 143 1.108 7.099 11.052 1.00 15.66 C ATOM 1046 CD2 LEU A 143 1.165 9.602 11.436 1.00 14.07 C ATOM 1047 N VAL A 144 2.801 7.552 16.222 1.00 10.48 N ATOM 1048 CA VAL A 144 2.475 7.092 17.586 1.00 8.84 C ATOM 1049 C VAL A 144 3.582 7.227 18.650 1.00 13.32 C ATOM 1050 O VAL A 144 3.297 7.109 19.849 1.00 13.45 O ATOM 1051 CB VAL A 144 1.964 5.623 17.587 1.00 13.19 C ATOM 1052 CG1 VAL A 144 0.672 5.472 16.684 1.00 12.63 C ATOM 1053 CG2 VAL A 144 3.087 4.710 17.074 1.00 13.90 C ATOM 1054 N ALA A 145 4.827 7.377 18.216 1.00 12.23 N ATOM 1055 CA ALA A 145 5.957 7.405 19.145 1.00 11.67 C ATOM 1056 C ALA A 145 6.659 8.749 19.182 1.00 15.17 C ATOM 1057 O ALA A 145 6.790 9.409 18.128 1.00 14.30 O ATOM 1058 CB ALA A 145 6.962 6.327 18.695 1.00 11.47 C ATOM 1059 N GLU A 146 7.072 9.182 20.374 1.00 13.81 N ATOM 1060 CA GLU A 146 7.845 10.406 20.507 1.00 14.08 C ATOM 1061 C GLU A 146 9.328 10.154 20.394 1.00 15.86 C ATOM 1062 O GLU A 146 10.109 11.096 20.143 1.00 16.89 O ATOM 1063 CB GLU A 146 7.562 11.127 21.821 1.00 16.38 C ATOM 1064 CG GLU A 146 7.418 10.188 22.986 1.00 21.57 C ATOM 1065 CD GLU A 146 6.898 10.911 24.219 1.00 41.20 C ATOM 1066 OE1 GLU A 146 6.335 12.015 24.076 1.00 38.30 O ATOM 1067 OE2 GLU A 146 7.042 10.370 25.327 1.00 30.88 O ATOM 1068 N LYS A 147 9.710 8.890 20.518 1.00 11.44 N ATOM 1069 CA LYS A 147 11.101 8.504 20.324 1.00 11.10 C ATOM 1070 C LYS A 147 11.113 7.095 19.791 1.00 11.19 C ATOM 1071 O LYS A 147 10.288 6.264 20.211 1.00 11.97 O ATOM 1072 CB LYS A 147 11.852 8.582 21.637 1.00 11.41 C ATOM 1073 CG LYS A 147 13.286 8.161 21.560 1.00 15.30 C ATOM 1074 CD LYS A 147 13.980 8.420 22.880 1.00 25.79 C ATOM 1075 CE LYS A 147 15.221 7.535 23.034 1.00 44.92 C ATOM 1076 NZ LYS A 147 16.006 7.828 24.285 1.00 40.25 N ATOM 1077 N VAL A 148 12.040 6.804 18.879 1.00 10.13 N ATOM 1078 CA VAL A 148 12.152 5.468 18.302 1.00 9.22 C ATOM 1079 C VAL A 148 13.612 5.080 18.359 1.00 13.14 C ATOM 1080 O VAL A 148 14.473 5.913 18.073 1.00 12.47 O ATOM 1081 CB VAL A 148 11.651 5.430 16.833 1.00 13.06 C ATOM 1082 CG1 VAL A 148 11.912 4.034 16.175 1.00 12.78 C ATOM 1083 CG2 VAL A 148 10.169 5.861 16.747 1.00 13.72 C ATOM 1084 N THR A 149 13.870 3.856 18.799 1.00 10.69 N ATOM 1085 CA THR A 149 15.238 3.320 18.847 1.00 10.39 C ATOM 1086 C THR A 149 15.208 2.097 17.932 1.00 13.39 C ATOM 1087 O THR A 149 14.262 1.317 17.998 1.00 14.11 O ATOM 1088 CB THR A 149 15.600 2.885 20.274 1.00 13.32 C ATOM 1089 OG1 THR A 149 15.480 4.008 21.177 1.00 15.60 O ATOM 1090 CG2 THR A 149 17.051 2.337 20.338 1.00 16.49 C ATOM 1091 N VAL A 150 16.195 1.958 17.056 1.00 11.13 N ATOM 1092 CA VAL A 150 16.303 0.793 16.183 1.00 9.36 C ATOM 1093 C VAL A 150 17.674 0.162 16.508 1.00 12.99 C ATOM 1094 O VAL A 150 18.714 0.775 16.258 1.00 12.61 O ATOM 1095 CB VAL A 150 16.240 1.204 14.716 1.00 12.78 C ATOM 1096 CG1 VAL A 150 16.526 0.026 13.781 1.00 13.27 C ATOM 1097 CG2 VAL A 150 14.895 1.935 14.389 1.00 11.86 C ATOM 1098 N ILE A 151 17.651 -1.074 17.020 1.00 10.82 N ATOM 1099 CA ILE A 151 18.885 -1.822 17.371 1.00 8.02 C ATOM 1100 C ILE A 151 18.997 -2.870 16.265 1.00 12.93 C ATOM 1101 O ILE A 151 18.026 -3.561 15.982 1.00 11.59 O ATOM 1102 CB ILE A 151 18.786 -2.511 18.746 1.00 10.96 C ATOM 1103 CG1 ILE A 151 18.303 -1.537 19.859 1.00 13.55 C ATOM 1104 CG2 ILE A 151 20.138 -3.145 19.080 1.00 14.77 C ATOM 1105 CD1 ILE A 151 19.237 -0.393 20.059 1.00 26.59 C ATOM 1106 N THR A 152 20.154 -2.966 15.607 1.00 11.15 N ATOM 1107 CA THR A 152 20.269 -3.905 14.498 1.00 9.43 C ATOM 1108 C THR A 152 21.609 -4.624 14.499 1.00 12.53 C ATOM 1109 O THR A 152 22.622 -4.057 14.914 1.00 11.74 O ATOM 1110 CB THR A 152 19.975 -3.164 13.155 1.00 11.67 C ATOM 1111 OG1 THR A 152 19.808 -4.108 12.086 1.00 15.67 O ATOM 1112 CG2 THR A 152 21.097 -2.189 12.848 1.00 11.33 C ATOM 1113 N LYS A 153 21.617 -5.845 13.970 1.00 11.48 N ATOM 1114 CA LYS A 153 22.833 -6.632 13.885 1.00 10.89 C ATOM 1115 C LYS A 153 22.811 -7.473 12.629 1.00 14.36 C ATOM 1116 O LYS A 153 21.865 -8.234 12.393 1.00 12.10 O ATOM 1117 CB LYS A 153 22.990 -7.516 15.118 1.00 13.18 C ATOM 1118 CG LYS A 153 24.187 -8.488 15.020 1.00 17.47 C ATOM 1119 CD LYS A 153 25.515 -7.786 15.119 1.00 17.07 C ATOM 1120 CE LYS A 153 26.701 -8.817 15.216 1.00 16.02 C ATOM 1121 NZ LYS A 153 26.959 -9.498 13.910 1.00 17.25 N ATOM 1122 N HIS A 154 23.782 -7.215 11.765 1.00 11.89 N ATOM 1123 CA HIS A 154 23.951 -7.940 10.503 1.00 11.26 C ATOM 1124 C HIS A 154 25.221 -8.808 10.633 1.00 15.53 C ATOM 1125 O HIS A 154 26.185 -8.385 11.268 1.00 13.86 O ATOM 1126 CB HIS A 154 24.199 -6.894 9.377 1.00 11.80 C ATOM 1127 CG HIS A 154 24.241 -7.481 7.998 1.00 14.89 C ATOM 1128 ND1 HIS A 154 23.191 -7.351 7.105 1.00 16.63 N ATOM 1129 CD2 HIS A 154 25.188 -8.208 7.364 1.00 16.63 C ATOM 1130 CE1 HIS A 154 23.511 -7.947 5.966 1.00 15.89 C ATOM 1131 NE2 HIS A 154 24.702 -8.501 6.107 1.00 17.52 N ATOM 1132 N ASN A 155 25.214 -9.980 9.997 1.00 12.78 N ATOM 1133 CA ASN A 155 26.390 -10.863 9.952 1.00 14.98 C ATOM 1134 C ASN A 155 27.593 -10.076 9.447 1.00 17.44 C ATOM 1135 O ASN A 155 27.476 -9.284 8.521 1.00 17.96 O ATOM 1136 CB ASN A 155 26.139 -12.039 8.992 1.00 15.92 C ATOM 1137 CG ASN A 155 25.154 -13.060 9.547 1.00 20.80 C ATOM 1138 OD1 ASN A 155 24.547 -13.832 8.792 1.00 22.39 O ATOM 1139 ND2 ASN A 155 24.976 -13.060 10.845 1.00 11.61 N ATOM 1140 N ASP A 156 28.765 -10.330 10.027 1.00 18.61 N ATOM 1141 CA ASP A 156 30.000 -9.670 9.573 1.00 20.40 C ATOM 1142 C ASP A 156 30.088 -8.195 9.930 1.00 25.25 C ATOM 1143 O ASP A 156 30.941 -7.475 9.391 1.00 25.59 O ATOM 1144 CB ASP A 156 30.200 -9.815 8.049 1.00 22.80 C ATOM 1145 CG ASP A 156 30.016 -11.257 7.553 1.00 40.04 C ATOM 1146 OD1 ASP A 156 30.550 -12.196 8.190 1.00 41.92 O ATOM 1147 OD2 ASP A 156 29.350 -11.440 6.506 1.00 46.30 O ATOM 1148 N ASP A 157 29.167 -7.702 10.758 1.00 19.00 N ATOM 1149 CA ASP A 157 29.233 -6.305 11.183 1.00 17.70 C ATOM 1150 C ASP A 157 28.933 -6.316 12.668 1.00 19.80 C ATOM 1151 O ASP A 157 28.531 -7.358 13.204 1.00 19.22 O ATOM 1152 CB ASP A 157 28.252 -5.410 10.401 1.00 18.43 C ATOM 1153 CG ASP A 157 28.641 -3.914 10.445 1.00 23.94 C ATOM 1154 OD1 ASP A 157 29.528 -3.544 11.244 1.00 22.12 O ATOM 1155 OD2 ASP A 157 28.106 -3.106 9.645 1.00 27.89 O ATOM 1156 N GLU A 158 29.171 -5.197 13.350 1.00 14.79 N ATOM 1157 CA GLU A 158 28.846 -5.119 14.782 1.00 15.66 C ATOM 1158 C GLU A 158 27.428 -4.587 14.979 1.00 17.37 C ATOM 1159 O GLU A 158 26.753 -4.166 14.009 1.00 19.28 O ATOM 1160 CB GLU A 158 29.857 -4.275 15.575 1.00 17.34 C ATOM 1161 CG GLU A 158 30.038 -2.900 15.036 1.00 22.20 C ATOM 1162 CD GLU A 158 31.236 -2.843 14.085 1.00 64.37 C ATOM 1163 OE1 GLU A 158 31.034 -3.030 12.866 1.00 61.89 O ATOM 1164 OE2 GLU A 158 32.391 -2.735 14.568 1.00 66.52 O ATOM 1165 N GLN A 159 26.951 -4.623 16.217 1.00 13.26 N ATOM 1166 CA GLN A 159 25.590 -4.172 16.466 1.00 10.81 C ATOM 1167 C GLN A 159 25.561 -2.660 16.592 1.00 14.62 C ATOM 1168 O GLN A 159 26.449 -2.050 17.220 1.00 14.70 O ATOM 1169 CB GLN A 159 25.051 -4.840 17.732 1.00 12.70 C ATOM 1170 CG GLN A 159 23.653 -4.422 18.113 1.00 12.09 C ATOM 1171 CD GLN A 159 23.103 -5.377 19.153 1.00 16.10 C ATOM 1172 OE1 GLN A 159 23.237 -6.575 18.977 1.00 20.10 O ATOM 1173 NE2 GLN A 159 22.662 -4.853 20.290 1.00 16.30 N ATOM 1174 N TYR A 160 24.506 -2.055 16.055 1.00 10.64 N ATOM 1175 CA TYR A 160 24.349 -0.607 16.120 1.00 12.11 C ATOM 1176 C TYR A 160 22.980 -0.257 16.665 1.00 15.54 C ATOM 1177 O TYR A 160 22.029 -1.051 16.592 1.00 13.61 O ATOM 1178 CB TYR A 160 24.390 -0.004 14.714 1.00 13.47 C ATOM 1179 CG TYR A 160 25.699 -0.225 14.020 1.00 14.40 C ATOM 1180 CD1 TYR A 160 26.791 0.554 14.345 1.00 15.22 C ATOM 1181 CD2 TYR A 160 25.834 -1.208 13.041 1.00 17.74 C ATOM 1182 CE1 TYR A 160 28.060 0.263 13.797 1.00 15.27 C ATOM 1183 CE2 TYR A 160 27.048 -1.446 12.432 1.00 18.77 C ATOM 1184 CZ TYR A 160 28.149 -0.710 12.819 1.00 25.01 C ATOM 1185 OH TYR A 160 29.327 -0.938 12.189 1.00 21.48 O ATOM 1186 N ALA A 161 22.873 0.958 17.178 1.00 12.83 N ATOM 1187 CA ALA A 161 21.589 1.458 17.678 1.00 13.47 C ATOM 1188 C ALA A 161 21.418 2.852 17.084 1.00 19.25 C ATOM 1189 O ALA A 161 22.223 3.757 17.365 1.00 17.65 O ATOM 1190 CB ALA A 161 21.585 1.585 19.196 1.00 15.03 C ATOM 1191 N TRP A 162 20.334 3.013 16.333 1.00 11.37 N ATOM 1192 CA TRP A 162 19.901 4.284 15.757 1.00 11.93 C ATOM 1193 C TRP A 162 18.822 4.843 16.695 1.00 13.43 C ATOM 1194 O TRP A 162 18.035 4.083 17.288 1.00 11.17 O ATOM 1195 CB TRP A 162 19.290 3.988 14.391 1.00 11.20 C ATOM 1196 CG TRP A 162 18.703 5.110 13.666 1.00 11.05 C ATOM 1197 CD1 TRP A 162 19.242 5.723 12.556 1.00 13.83 C ATOM 1198 CD2 TRP A 162 17.387 5.680 13.842 1.00 10.52 C ATOM 1199 NE1 TRP A 162 18.376 6.679 12.084 1.00 14.32 N ATOM 1200 CE2 TRP A 162 17.198 6.605 12.788 1.00 12.93 C ATOM 1201 CE3 TRP A 162 16.302 5.401 14.705 1.00 10.06 C ATOM 1202 CZ2 TRP A 162 16.005 7.324 12.624 1.00 11.88 C ATOM 1203 CZ3 TRP A 162 15.133 6.162 14.573 1.00 12.35 C ATOM 1204 CH2 TRP A 162 15.012 7.140 13.547 1.00 11.79 C ATOM 1205 N GLU A 163 18.775 6.159 16.857 1.00 11.67 N ATOM 1206 CA GLU A 163 17.795 6.726 17.782 1.00 12.38 C ATOM 1207 C GLU A 163 17.416 8.097 17.325 1.00 15.49 C ATOM 1208 O GLU A 163 18.273 8.848 16.871 1.00 11.72 O ATOM 1209 CB GLU A 163 18.349 6.851 19.207 1.00 14.22 C ATOM 1210 CG GLU A 163 17.330 7.185 20.274 1.00 29.05 C ATOM 1211 CD GLU A 163 17.881 6.902 21.679 1.00 59.51 C ATOM 1212 OE1 GLU A 163 18.266 5.745 21.953 1.00 52.14 O ATOM 1213 OE2 GLU A 163 17.979 7.843 22.492 1.00 59.10 O ATOM 1214 N SER A 164 16.136 8.444 17.479 1.00 13.22 N ATOM 1215 CA SER A 164 15.682 9.784 17.116 1.00 11.40 C ATOM 1216 C SER A 164 14.367 10.106 17.800 1.00 14.26 C ATOM 1217 O SER A 164 13.472 9.243 17.932 1.00 13.20 O ATOM 1218 CB SER A 164 15.493 9.944 15.617 1.00 15.08 C ATOM 1219 OG SER A 164 15.115 11.266 15.272 1.00 15.78 O ATOM 1220 N SER A 165 14.304 11.351 18.259 1.00 11.96 N ATOM 1221 CA SER A 165 13.077 11.927 18.795 1.00 11.46 C ATOM 1222 C SER A 165 12.638 13.013 17.810 1.00 15.25 C ATOM 1223 O SER A 165 11.981 13.969 18.193 1.00 14.99 O ATOM 1224 CB SER A 165 13.345 12.480 20.192 1.00 15.79 C ATOM 1225 OG SER A 165 13.647 11.383 21.063 1.00 19.56 O ATOM 1226 N ALA A 166 12.985 12.834 16.539 1.00 13.95 N ATOM 1227 CA ALA A 166 12.642 13.786 15.480 1.00 15.63 C ATOM 1228 C ALA A 166 13.359 15.104 15.720 1.00 19.13 C ATOM 1229 O ALA A 166 14.534 15.088 16.069 1.00 18.11 O ATOM 1230 CB ALA A 166 11.119 13.948 15.345 1.00 17.49 C ATOM 1231 N GLY A 167 12.726 16.249 15.472 1.00 16.84 N ATOM 1232 CA GLY A 167 13.489 17.471 15.695 1.00 16.41 C ATOM 1233 C GLY A 167 14.639 17.669 14.706 1.00 18.82 C ATOM 1234 O GLY A 167 15.529 18.494 14.925 1.00 17.35 O ATOM 1235 N GLY A 168 14.651 16.883 13.633 1.00 13.54 N ATOM 1236 CA GLY A 168 15.651 16.999 12.596 1.00 13.89 C ATOM 1237 C GLY A 168 16.979 16.266 12.797 1.00 12.82 C ATOM 1238 O GLY A 168 17.846 16.376 11.952 1.00 12.72 O ATOM 1239 N SER A 169 17.075 15.445 13.835 1.00 10.91 N ATOM 1240 CA SER A 169 18.352 14.825 14.171 1.00 12.20 C ATOM 1241 C SER A 169 18.165 13.386 14.541 1.00 13.25 C ATOM 1242 O SER A 169 17.108 13.008 15.032 1.00 13.37 O ATOM 1243 CB SER A 169 18.847 15.560 15.439 1.00 16.78 C ATOM 1244 OG SER A 169 20.116 15.145 15.848 1.00 31.62 O ATOM 1245 N PHE A 170 19.219 12.591 14.367 1.00 10.86 N ATOM 1246 CA PHE A 170 19.200 11.192 14.786 1.00 10.19 C ATOM 1247 C PHE A 170 20.630 10.818 15.102 1.00 11.39 C ATOM 1248 O PHE A 170 21.552 11.493 14.668 1.00 14.01 O ATOM 1249 CB PHE A 170 18.623 10.247 13.731 1.00 10.88 C ATOM 1250 CG PHE A 170 19.433 10.138 12.473 1.00 10.56 C ATOM 1251 CD1 PHE A 170 19.172 10.966 11.408 1.00 14.72 C ATOM 1252 CD2 PHE A 170 20.323 9.079 12.293 1.00 12.47 C ATOM 1253 CE1 PHE A 170 19.816 10.774 10.189 1.00 16.09 C ATOM 1254 CE2 PHE A 170 21.011 8.912 11.091 1.00 16.01 C ATOM 1255 CZ PHE A 170 20.711 9.737 10.029 1.00 15.75 C ATOM 1256 N THR A 171 20.817 9.794 15.908 1.00 9.71 N ATOM 1257 CA THR A 171 22.187 9.360 16.191 1.00 10.28 C ATOM 1258 C THR A 171 22.333 7.891 15.783 1.00 15.01 C ATOM 1259 O THR A 171 21.346 7.142 15.780 1.00 14.09 O ATOM 1260 CB THR A 171 22.552 9.513 17.660 1.00 15.34 C ATOM 1261 OG1 THR A 171 21.593 8.808 18.485 1.00 17.97 O ATOM 1262 CG2 THR A 171 22.602 10.995 18.087 1.00 15.25 C ATOM 1263 N VAL A 172 23.576 7.489 15.493 1.00 10.97 N ATOM 1264 CA VAL A 172 23.908 6.084 15.253 1.00 11.54 C ATOM 1265 C VAL A 172 25.057 5.738 16.194 1.00 14.86 C ATOM 1266 O VAL A 172 26.114 6.379 16.165 1.00 13.16 O ATOM 1267 CB VAL A 172 24.309 5.800 13.792 1.00 14.21 C ATOM 1268 CG1 VAL A 172 24.794 4.360 13.661 1.00 16.23 C ATOM 1269 CG2 VAL A 172 23.092 5.973 12.881 1.00 14.59 C ATOM 1270 N ARG A 173 24.811 4.804 17.101 1.00 13.57 N ATOM 1271 CA ARG A 173 25.876 4.408 18.006 1.00 15.72 C ATOM 1272 C ARG A 173 26.254 2.926 17.929 1.00 21.12 C ATOM 1273 O ARG A 173 25.459 2.063 17.537 1.00 17.34 O ATOM 1274 CB ARG A 173 25.559 4.822 19.419 1.00 20.63 C ATOM 1275 CG ARG A 173 24.378 4.167 20.013 1.00 32.56 C ATOM 1276 CD ARG A 173 24.228 4.571 21.476 1.00 46.33 C ATOM 1277 NE ARG A 173 22.987 4.049 22.024 1.00 50.58 N ATOM 1278 CZ ARG A 173 22.843 2.821 22.504 1.00 61.69 C ATOM 1279 NH1 ARG A 173 23.883 1.992 22.539 1.00 47.08 N ATOM 1280 NH2 ARG A 173 21.661 2.430 22.956 1.00 43.55 N ATOM 1281 N THR A 174 27.504 2.626 18.252 1.00 18.97 N ATOM 1282 C THR A 174 27.340 0.746 19.595 1.00 27.91 C ATOM 1283 O THR A 174 27.495 1.396 20.641 1.00 30.64 O ATOM 1284 CA ATHR A 174 27.930 1.239 18.289 0.50 20.89 C ATOM 1285 CB ATHR A 174 29.451 1.145 18.255 0.50 30.49 C ATOM 1286 OG1ATHR A 174 29.983 1.844 19.388 0.50 32.39 O ATOM 1287 CG2ATHR A 174 29.955 1.788 16.984 0.50 27.98 C ATOM 1288 CA BTHR A 174 27.922 1.239 18.282 0.50 20.28 C ATOM 1289 CB BTHR A 174 29.448 1.147 18.140 0.50 22.67 C ATOM 1290 OG1BTHR A 174 29.799 1.747 16.895 0.50 18.44 O ATOM 1291 CG2BTHR A 174 29.939 -0.297 18.166 0.50 22.18 C ATOM 1292 N ASP A 175 26.529 -0.300 19.515 1.00 24.78 N ATOM 1293 CA ASP A 175 25.786 -0.788 20.670 1.00 25.37 C ATOM 1294 C ASP A 175 26.489 -1.941 21.345 1.00 35.76 C ATOM 1295 O ASP A 175 26.680 -2.988 20.744 1.00 37.08 O ATOM 1296 CB ASP A 175 24.387 -1.241 20.203 1.00 25.45 C ATOM 1297 CG ASP A 175 23.424 -1.537 21.355 1.00 30.54 C ATOM 1298 OD1 ASP A 175 23.534 -0.917 22.438 1.00 37.05 O ATOM 1299 OD2 ASP A 175 22.443 -2.262 21.119 1.00 31.49 O ATOM 1300 N THR A 176 26.825 -1.769 22.610 1.00 35.17 N ATOM 1301 CA THR A 176 27.438 -2.871 23.349 1.00 36.91 C ATOM 1302 C THR A 176 26.477 -3.421 24.406 1.00 43.75 C ATOM 1303 O THR A 176 26.864 -4.189 25.279 1.00 43.90 O ATOM 1304 CB THR A 176 28.856 -2.535 23.868 1.00 41.30 C ATOM 1305 OG1 THR A 176 28.875 -1.207 24.405 1.00 43.22 O ATOM 1306 CG2 THR A 176 29.860 -2.620 22.727 1.00 41.27 C ATOM 1307 N GLY A 177 25.200 -3.080 24.259 1.00 42.65 N ATOM 1308 CA GLY A 177 24.148 -3.549 25.149 1.00 42.83 C ATOM 1309 C GLY A 177 23.636 -4.948 24.813 1.00 44.68 C ATOM 1310 O GLY A 177 24.377 -5.780 24.301 1.00 45.53 O ATOM 1311 N GLU A 178 22.370 -5.208 25.133 1.00 37.81 N ATOM 1312 CA GLU A 178 21.744 -6.496 24.857 1.00 35.41 C ATOM 1313 C GLU A 178 22.000 -6.927 23.420 1.00 30.40 C ATOM 1314 O GLU A 178 21.429 -6.355 22.494 1.00 27.76 O ATOM 1315 CB GLU A 178 20.236 -6.396 25.082 1.00 36.92 C ATOM 1316 CG GLU A 178 19.453 -7.641 24.662 1.00 49.72 C ATOM 1317 CD GLU A 178 17.959 -7.447 24.821 1.00 74.52 C ATOM 1318 OE1 GLU A 178 17.565 -6.608 25.664 1.00 57.75 O ATOM 1319 OE2 GLU A 178 17.185 -8.115 24.097 1.00 73.40 O ATOM 1320 N PRO A 179 22.861 -7.931 23.223 1.00 26.11 N ATOM 1321 CA PRO A 179 23.220 -8.458 21.902 1.00 24.95 C ATOM 1322 C PRO A 179 22.054 -9.216 21.316 1.00 26.46 C ATOM 1323 O PRO A 179 21.440 -10.057 21.982 1.00 25.47 O ATOM 1324 CB PRO A 179 24.357 -9.437 22.197 1.00 27.27 C ATOM 1325 CG PRO A 179 24.150 -9.826 23.598 1.00 32.11 C ATOM 1326 CD PRO A 179 23.679 -8.557 24.275 1.00 28.29 C ATOM 1327 N MET A 180 21.776 -8.942 20.057 1.00 22.39 N ATOM 1328 CA MET A 180 20.672 -9.615 19.397 1.00 22.53 C ATOM 1329 C MET A 180 20.980 -10.778 18.517 1.00 22.18 C ATOM 1330 O MET A 180 20.058 -11.384 18.005 1.00 22.35 O ATOM 1331 CB MET A 180 19.765 -8.671 18.642 1.00 26.74 C ATOM 1332 CG MET A 180 20.428 -7.843 17.628 1.00 33.25 C ATOM 1333 SD MET A 180 19.450 -6.359 17.824 1.00 40.91 S ATOM 1334 CE MET A 180 18.436 -6.904 19.232 1.00 36.26 C ATOM 1335 N GLY A 181 22.247 -11.055 18.268 1.00 16.48 N ATOM 1336 CA GLY A 181 22.567 -12.232 17.445 1.00 14.96 C ATOM 1337 C GLY A 181 22.553 -11.815 16.014 1.00 13.74 C ATOM 1338 O GLY A 181 23.590 -11.727 15.346 1.00 14.41 O ATOM 1339 N ARG A 182 21.341 -11.584 15.517 1.00 11.75 N ATOM 1340 CA ARG A 182 21.171 -11.092 14.169 1.00 11.19 C ATOM 1341 C ARG A 182 19.722 -10.641 14.064 1.00 14.68 C ATOM 1342 O ARG A 182 18.821 -11.333 14.542 1.00 14.24 O ATOM 1343 CB ARG A 182 21.373 -12.184 13.126 1.00 12.16 C ATOM 1344 CG ARG A 182 21.266 -11.666 11.665 1.00 13.40 C ATOM 1345 CD ARG A 182 21.039 -12.806 10.651 1.00 15.19 C ATOM 1346 NE ARG A 182 19.755 -13.469 10.873 1.00 13.26 N ATOM 1347 CZ ARG A 182 19.639 -14.698 11.351 1.00 17.83 C ATOM 1348 NH1 ARG A 182 20.759 -15.397 11.627 1.00 12.56 N ATOM 1349 NH2 ARG A 182 18.433 -15.204 11.599 1.00 13.08 N ATOM 1350 N GLY A 183 19.516 -9.524 13.387 1.00 10.72 N ATOM 1351 CA GLY A 183 18.171 -9.004 13.156 1.00 9.64 C ATOM 1352 C GLY A 183 18.009 -7.543 13.558 1.00 14.27 C ATOM 1353 O GLY A 183 18.979 -6.831 13.760 1.00 12.90 O ATOM 1354 N THR A 184 16.759 -7.113 13.709 1.00 11.02 N ATOM 1355 CA THR A 184 16.473 -5.740 14.100 1.00 11.91 C ATOM 1356 C THR A 184 15.408 -5.749 15.194 1.00 14.39 C ATOM 1357 O THR A 184 14.465 -6.573 15.173 1.00 14.83 O ATOM 1358 CB THR A 184 16.032 -4.981 12.827 1.00 17.15 C ATOM 1359 OG1 THR A 184 17.160 -4.897 11.941 1.00 15.54 O ATOM 1360 CG2 THR A 184 15.422 -3.578 13.124 1.00 15.26 C ATOM 1361 N LYS A 185 15.508 -4.770 16.093 1.00 11.62 N ATOM 1362 CA LYS A 185 14.525 -4.583 17.152 1.00 11.80 C ATOM 1363 C LYS A 185 14.159 -3.101 17.087 1.00 14.72 C ATOM 1364 O LYS A 185 15.055 -2.257 17.093 1.00 14.26 O ATOM 1365 CB LYS A 185 15.198 -4.824 18.521 1.00 15.58 C ATOM 1366 CG LYS A 185 14.291 -4.495 19.719 1.00 20.08 C ATOM 1367 CD LYS A 185 15.077 -4.402 21.041 1.00 29.05 C ATOM 1368 CE LYS A 185 15.663 -5.713 21.485 1.00 38.90 C ATOM 1369 NZ LYS A 185 16.379 -5.537 22.793 1.00 41.49 N ATOM 1370 N VAL A 186 12.868 -2.790 16.941 1.00 9.98 N ATOM 1371 CA VAL A 186 12.389 -1.402 16.912 1.00 9.77 C ATOM 1372 C VAL A 186 11.634 -1.127 18.221 1.00 13.80 C ATOM 1373 O VAL A 186 10.650 -1.798 18.522 1.00 11.77 O ATOM 1374 CB VAL A 186 11.492 -1.103 15.694 1.00 13.70 C ATOM 1375 CG1 VAL A 186 11.150 0.395 15.661 1.00 14.03 C ATOM 1376 CG2 VAL A 186 12.244 -1.474 14.419 1.00 13.43 C ATOM 1377 N ILE A 187 12.084 -0.119 18.963 1.00 9.56 N ATOM 1378 CA ILE A 187 11.462 0.218 20.250 1.00 10.18 C ATOM 1379 C ILE A 187 10.732 1.545 20.089 1.00 12.80 C ATOM 1380 O ILE A 187 11.363 2.567 19.831 1.00 12.18 O ATOM 1381 CB ILE A 187 12.518 0.361 21.376 1.00 14.46 C ATOM 1382 CG1 ILE A 187 13.391 -0.892 21.509 1.00 16.20 C ATOM 1383 CG2 ILE A 187 11.816 0.717 22.711 1.00 15.41 C ATOM 1384 CD1 ILE A 187 14.597 -0.681 22.431 1.00 18.17 C ATOM 1385 N LEU A 188 9.408 1.500 20.199 1.00 9.99 N ATOM 1386 CA LEU A 188 8.595 2.687 20.101 1.00 11.19 C ATOM 1387 C LEU A 188 8.248 3.216 21.476 1.00 12.93 C ATOM 1388 O LEU A 188 7.599 2.503 22.277 1.00 13.10 O ATOM 1389 CB LEU A 188 7.283 2.362 19.389 1.00 11.44 C ATOM 1390 CG LEU A 188 7.469 1.628 18.035 1.00 18.33 C ATOM 1391 CD1 LEU A 188 6.100 1.276 17.461 1.00 19.95 C ATOM 1392 CD2 LEU A 188 8.255 2.474 17.065 1.00 20.56 C ATOM 1393 N HIS A 189 8.689 4.435 21.793 1.00 11.90 N ATOM 1394 CA HIS A 189 8.280 5.063 23.079 1.00 12.15 C ATOM 1395 C HIS A 189 7.002 5.820 22.758 1.00 13.55 C ATOM 1396 O HIS A 189 7.036 6.899 22.144 1.00 15.07 O ATOM 1397 CB HIS A 189 9.327 6.036 23.562 1.00 15.69 C ATOM 1398 CG HIS A 189 10.541 5.352 24.085 1.00 20.60 C ATOM 1399 ND1 HIS A 189 11.507 4.825 23.258 1.00 23.00 N ATOM 1400 CD2 HIS A 189 10.849 4.939 25.336 1.00 23.56 C ATOM 1401 CE1 HIS A 189 12.412 4.195 23.990 1.00 22.11 C ATOM 1402 NE2 HIS A 189 12.033 4.249 25.251 1.00 23.80 N ATOM 1403 N LEU A 190 5.866 5.229 23.106 1.00 12.26 N ATOM 1404 CA LEU A 190 4.579 5.752 22.655 1.00 9.80 C ATOM 1405 C LEU A 190 4.216 7.081 23.313 1.00 15.45 C ATOM 1406 O LEU A 190 4.558 7.315 24.469 1.00 14.07 O ATOM 1407 CB LEU A 190 3.464 4.762 22.963 1.00 9.61 C ATOM 1408 CG LEU A 190 3.567 3.431 22.190 1.00 14.06 C ATOM 1409 CD1 LEU A 190 2.407 2.543 22.607 1.00 13.71 C ATOM 1410 CD2 LEU A 190 3.565 3.655 20.688 1.00 13.74 C ATOM 1411 N LYS A 191 3.526 7.918 22.538 1.00 13.16 N ATOM 1412 CA LYS A 191 3.006 9.183 23.033 1.00 12.86 C ATOM 1413 C LYS A 191 1.868 8.872 24.007 1.00 17.27 C ATOM 1414 O LYS A 191 1.236 7.817 23.950 1.00 15.21 O ATOM 1415 CB LYS A 191 2.402 9.976 21.872 1.00 16.38 C ATOM 1416 CG LYS A 191 3.420 10.589 20.929 1.00 18.52 C ATOM 1417 CD LYS A 191 2.707 11.139 19.697 1.00 20.57 C ATOM 1418 CE LYS A 191 3.681 11.250 18.534 1.00 32.63 C ATOM 1419 NZ LYS A 191 3.073 11.888 17.344 1.00 35.23 N ATOM 1420 N GLU A 192 1.581 9.834 24.881 1.00 15.59 N ATOM 1421 CA GLU A 192 0.531 9.655 25.883 1.00 17.21 C ATOM 1422 C GLU A 192 -0.847 9.370 25.302 1.00 18.27 C ATOM 1423 O GLU A 192 -1.639 8.653 25.924 1.00 20.29 O ATOM 1424 CB GLU A 192 0.445 10.886 26.772 1.00 20.83 C ATOM 1425 CG GLU A 192 -0.577 10.718 27.903 1.00 35.16 C ATOM 1426 CD GLU A 192 -0.219 11.514 29.145 1.00 66.81 C ATOM 1427 OE1 GLU A 192 -0.733 11.166 30.235 1.00 68.80 O ATOM 1428 OE2 GLU A 192 0.583 12.473 29.032 1.00 62.00 O ATOM 1429 N ASP A 193 -1.149 9.965 24.154 1.00 15.57 N ATOM 1430 CA ASP A 193 -2.459 9.720 23.514 1.00 16.98 C ATOM 1431 C ASP A 193 -2.450 8.510 22.563 1.00 20.46 C ATOM 1432 O ASP A 193 -3.363 8.320 21.785 1.00 20.65 O ATOM 1433 CB ASP A 193 -3.005 10.970 22.802 1.00 18.85 C ATOM 1434 CG ASP A 193 -2.104 11.475 21.683 1.00 28.51 C ATOM 1435 OD1 ASP A 193 -1.028 10.901 21.466 1.00 30.96 O ATOM 1436 OD2 ASP A 193 -2.481 12.465 21.013 1.00 36.37 O ATOM 1437 N GLN A 194 -1.415 7.681 22.658 1.00 16.16 N ATOM 1438 CA GLN A 194 -1.305 6.494 21.796 1.00 14.09 C ATOM 1439 C GLN A 194 -1.038 5.190 22.571 1.00 17.70 C ATOM 1440 O GLN A 194 -0.648 4.179 21.981 1.00 16.07 O ATOM 1441 CB GLN A 194 -0.262 6.713 20.674 1.00 15.97 C ATOM 1442 CG GLN A 194 -0.412 8.023 19.871 1.00 15.59 C ATOM 1443 CD GLN A 194 -1.704 8.122 19.031 1.00 31.44 C ATOM 1444 OE1 GLN A 194 -2.202 9.224 18.774 1.00 26.16 O ATOM 1445 NE2 GLN A 194 -2.203 6.992 18.557 1.00 23.70 N ATOM 1446 N THR A 195 -1.305 5.197 23.871 1.00 14.84 N ATOM 1447 CA THR A 195 -1.141 4.009 24.718 1.00 14.83 C ATOM 1448 C THR A 195 -2.087 2.855 24.385 1.00 18.83 C ATOM 1449 O THR A 195 -1.944 1.744 24.931 1.00 19.72 O ATOM 1450 CB THR A 195 -1.207 4.378 26.220 1.00 26.21 C ATOM 1451 OG1 THR A 195 -2.358 5.197 26.458 1.00 27.55 O ATOM 1452 CG2 THR A 195 0.034 5.110 26.653 1.00 23.73 C ATOM 1453 N GLU A 196 -3.086 3.106 23.535 1.00 15.81 N ATOM 1454 CA GLU A 196 -3.996 2.035 23.127 1.00 16.60 C ATOM 1455 C GLU A 196 -3.201 0.889 22.489 1.00 16.75 C ATOM 1456 O GLU A 196 -3.592 -0.282 22.546 1.00 16.44 O ATOM 1457 CB GLU A 196 -4.996 2.553 22.106 1.00 18.38 C ATOM 1458 CG GLU A 196 -4.321 3.056 20.803 1.00 25.17 C ATOM 1459 CD GLU A 196 -5.318 3.585 19.799 1.00 48.78 C ATOM 1460 OE1 GLU A 196 -5.315 4.818 19.566 1.00 44.29 O ATOM 1461 OE2 GLU A 196 -6.122 2.767 19.276 1.00 35.31 O ATOM 1462 N TYR A 197 -2.051 1.226 21.898 1.00 14.35 N ATOM 1463 CA TYR A 197 -1.228 0.204 21.256 1.00 12.84 C ATOM 1464 C TYR A 197 -0.437 -0.694 22.208 1.00 17.06 C ATOM 1465 O TYR A 197 0.333 -1.541 21.754 1.00 18.37 O ATOM 1466 CB TYR A 197 -0.339 0.813 20.156 1.00 14.16 C ATOM 1467 CG TYR A 197 -1.166 1.488 19.097 1.00 14.46 C ATOM 1468 CD1 TYR A 197 -2.084 0.756 18.326 1.00 15.69 C ATOM 1469 CD2 TYR A 197 -1.151 2.882 18.952 1.00 15.34 C ATOM 1470 CE1 TYR A 197 -2.901 1.381 17.398 1.00 17.17 C ATOM 1471 CE2 TYR A 197 -1.987 3.521 18.013 1.00 16.05 C ATOM 1472 CZ TYR A 197 -2.866 2.766 17.261 1.00 23.66 C ATOM 1473 OH TYR A 197 -3.708 3.389 16.373 1.00 22.92 O ATOM 1474 N LEU A 198 -0.624 -0.505 23.512 1.00 14.68 N ATOM 1475 CA LEU A 198 -0.036 -1.367 24.514 1.00 16.02 C ATOM 1476 C LEU A 198 -1.002 -2.487 24.888 1.00 17.98 C ATOM 1477 O LEU A 198 -0.633 -3.377 25.648 1.00 17.44 O ATOM 1478 CB LEU A 198 0.294 -0.583 25.798 1.00 16.86 C ATOM 1479 CG LEU A 198 1.388 0.490 25.712 1.00 19.02 C ATOM 1480 CD1 LEU A 198 1.426 1.407 26.958 1.00 18.97 C ATOM 1481 CD2 LEU A 198 2.728 -0.151 25.411 1.00 20.65 C ATOM 1482 N GLU A 199 -2.257 -2.409 24.425 1.00 14.64 N ATOM 1483 CA GLU A 199 -3.275 -3.385 24.818 1.00 15.47 C ATOM 1484 C GLU A 199 -3.294 -4.611 23.904 1.00 19.64 C ATOM 1485 O GLU A 199 -3.346 -4.475 22.690 1.00 19.40 O ATOM 1486 CB GLU A 199 -4.645 -2.712 24.789 1.00 17.31 C ATOM 1487 CG GLU A 199 -4.801 -1.602 25.841 1.00 23.38 C ATOM 1488 CD GLU A 199 -4.478 -2.082 27.250 1.00 46.43 C ATOM 1489 OE1 GLU A 199 -4.957 -3.168 27.648 1.00 50.76 O ATOM 1490 OE2 GLU A 199 -3.749 -1.367 27.968 1.00 43.48 O ATOM 1491 N GLU A 200 -3.288 -5.811 24.495 1.00 16.66 N ATOM 1492 CA GLU A 200 -3.314 -7.043 23.703 1.00 15.49 C ATOM 1493 C GLU A 200 -4.514 -7.030 22.760 1.00 19.07 C ATOM 1494 O GLU A 200 -4.431 -7.448 21.610 1.00 17.34 O ATOM 1495 CB GLU A 200 -3.489 -8.263 24.627 1.00 16.98 C ATOM 1496 CG GLU A 200 -3.790 -9.542 23.840 1.00 23.88 C ATOM 1497 CD GLU A 200 -3.839 -10.765 24.728 1.00 40.04 C ATOM 1498 OE1 GLU A 200 -3.524 -10.629 25.930 1.00 26.58 O ATOM 1499 OE2 GLU A 200 -4.207 -11.852 24.231 1.00 43.01 O ATOM 1500 N ARG A 201 -5.668 -6.618 23.271 1.00 16.39 N ATOM 1501 CA ARG A 201 -6.835 -6.591 22.425 1.00 17.81 C ATOM 1502 C ARG A 201 -6.635 -5.775 21.142 1.00 20.39 C ATOM 1503 O ARG A 201 -7.027 -6.191 20.037 1.00 19.77 O ATOM 1504 CB ARG A 201 -8.032 -6.059 23.207 1.00 19.13 C ATOM 1505 CG ARG A 201 -9.056 -5.409 22.320 1.00 39.35 C ATOM 1506 CD ARG A 201 -10.284 -6.264 22.126 1.00 53.74 C ATOM 1507 NE ARG A 201 -11.496 -5.474 22.355 1.00 64.57 N ATOM 1508 CZ ARG A 201 -12.695 -5.767 21.857 1.00 77.10 C ATOM 1509 NH1 ARG A 201 -12.853 -6.822 21.068 1.00 59.26 N ATOM 1510 NH2 ARG A 201 -13.736 -4.987 22.128 1.00 65.67 N ATOM 1511 N ARG A 202 -6.018 -4.612 21.291 1.00 15.33 N ATOM 1512 CA ARG A 202 -5.836 -3.722 20.143 1.00 16.00 C ATOM 1513 C ARG A 202 -4.787 -4.297 19.179 1.00 18.25 C ATOM 1514 O ARG A 202 -5.019 -4.394 17.977 1.00 19.46 O ATOM 1515 CB ARG A 202 -5.466 -2.340 20.667 1.00 19.33 C ATOM 1516 CG ARG A 202 -5.335 -1.280 19.617 1.00 22.52 C ATOM 1517 CD ARG A 202 -6.662 -0.853 19.057 1.00 27.77 C ATOM 1518 NE ARG A 202 -6.477 0.321 18.217 1.00 33.41 N ATOM 1519 CZ ARG A 202 -6.875 0.408 16.959 1.00 44.09 C ATOM 1520 NH1 ARG A 202 -7.539 -0.604 16.423 1.00 39.48 N ATOM 1521 NH2 ARG A 202 -6.635 1.521 16.256 1.00 28.53 N ATOM 1522 N ILE A 203 -3.630 -4.661 19.704 1.00 13.43 N ATOM 1523 CA ILE A 203 -2.593 -5.286 18.884 1.00 13.49 C ATOM 1524 C ILE A 203 -3.166 -6.460 18.071 1.00 17.33 C ATOM 1525 O ILE A 203 -2.966 -6.531 16.865 1.00 17.35 O ATOM 1526 CB ILE A 203 -1.424 -5.764 19.757 1.00 15.68 C ATOM 1527 CG1 ILE A 203 -0.739 -4.554 20.433 1.00 15.64 C ATOM 1528 CG2 ILE A 203 -0.457 -6.606 18.912 1.00 17.07 C ATOM 1529 CD1 ILE A 203 0.169 -4.892 21.562 1.00 19.23 C ATOM 1530 N LYS A 204 -3.857 -7.400 18.718 1.00 15.83 N ATOM 1531 CA LYS A 204 -4.442 -8.525 17.966 1.00 16.68 C ATOM 1532 C LYS A 204 -5.347 -8.071 16.837 1.00 17.52 C ATOM 1533 O LYS A 204 -5.327 -8.620 15.744 1.00 15.82 O ATOM 1534 CB LYS A 204 -5.198 -9.484 18.893 1.00 18.43 C ATOM 1535 CG LYS A 204 -4.274 -10.130 19.886 1.00 25.88 C ATOM 1536 CD LYS A 204 -4.839 -11.424 20.422 1.00 40.02 C ATOM 1537 CE LYS A 204 -5.944 -11.174 21.377 1.00 52.23 C ATOM 1538 NZ LYS A 204 -6.282 -12.439 22.093 1.00 64.68 N ATOM 1539 N GLU A 205 -6.198 -7.098 17.143 1.00 16.79 N ATOM 1540 CA GLU A 205 -7.124 -6.527 16.170 1.00 18.01 C ATOM 1541 C GLU A 205 -6.354 -5.978 14.960 1.00 21.22 C ATOM 1542 O GLU A 205 -6.698 -6.270 13.826 1.00 18.16 O ATOM 1543 CB GLU A 205 -7.908 -5.370 16.801 1.00 20.68 C ATOM 1544 CG GLU A 205 -9.006 -5.793 17.761 1.00 36.70 C ATOM 1545 CD GLU A 205 -9.728 -4.607 18.396 1.00 61.63 C ATOM 1546 OE1 GLU A 205 -9.227 -3.458 18.294 1.00 36.09 O ATOM 1547 OE2 GLU A 205 -10.800 -4.831 19.007 1.00 60.25 O ATOM 1548 N ILE A 206 -5.310 -5.182 15.205 1.00 16.34 N ATOM 1549 CA ILE A 206 -4.594 -4.580 14.075 1.00 14.81 C ATOM 1550 C ILE A 206 -3.758 -5.577 13.274 1.00 16.65 C ATOM 1551 O ILE A 206 -3.601 -5.437 12.076 1.00 18.87 O ATOM 1552 CB ILE A 206 -3.845 -3.285 14.439 1.00 19.26 C ATOM 1553 CG1 ILE A 206 -2.687 -3.544 15.358 1.00 21.29 C ATOM 1554 CG2 ILE A 206 -4.797 -2.296 15.082 1.00 20.09 C ATOM 1555 CD1 ILE A 206 -1.925 -2.249 15.707 1.00 28.31 C ATOM 1556 N VAL A 207 -3.257 -6.607 13.930 1.00 14.03 N ATOM 1557 CA VAL A 207 -2.471 -7.600 13.202 1.00 15.79 C ATOM 1558 C VAL A 207 -3.390 -8.388 12.295 1.00 21.02 C ATOM 1559 O VAL A 207 -3.098 -8.591 11.105 1.00 21.15 O ATOM 1560 CB VAL A 207 -1.705 -8.490 14.174 1.00 19.79 C ATOM 1561 CG1 VAL A 207 -1.142 -9.726 13.437 1.00 19.63 C ATOM 1562 CG2 VAL A 207 -0.610 -7.660 14.824 1.00 18.88 C ATOM 1563 N LYS A 208 -4.525 -8.803 12.844 1.00 19.22 N ATOM 1564 CA LYS A 208 -5.520 -9.529 12.043 1.00 17.73 C ATOM 1565 C LYS A 208 -5.992 -8.692 10.854 1.00 20.72 C ATOM 1566 O LYS A 208 -6.195 -9.210 9.743 1.00 22.33 O ATOM 1567 CB LYS A 208 -6.741 -9.854 12.915 1.00 19.78 C ATOM 1568 CG LYS A 208 -6.443 -10.822 14.047 1.00 43.56 C ATOM 1569 CD LYS A 208 -5.556 -11.965 13.563 1.00 57.06 C ATOM 1570 CE LYS A 208 -5.763 -13.241 14.382 1.00 70.96 C ATOM 1571 NZ LYS A 208 -6.955 -14.029 13.938 1.00 77.10 N ATOM 1572 N LYS A 209 -6.233 -7.403 11.095 1.00 18.68 N ATOM 1573 CA LYS A 209 -6.755 -6.533 10.057 1.00 17.93 C ATOM 1574 C LYS A 209 -5.770 -6.209 8.935 1.00 22.24 C ATOM 1575 O LYS A 209 -6.125 -6.216 7.759 1.00 22.65 O ATOM 1576 CB LYS A 209 -7.324 -5.225 10.651 1.00 18.82 C ATOM 1577 CG LYS A 209 -8.033 -4.388 9.605 1.00 28.67 C ATOM 1578 CD LYS A 209 -8.077 -2.901 9.938 1.00 36.57 C ATOM 1579 CE LYS A 209 -9.103 -2.560 10.973 1.00 44.44 C ATOM 1580 NZ LYS A 209 -9.579 -1.141 10.776 1.00 37.71 N ATOM 1581 N HIS A 210 -4.530 -5.917 9.303 1.00 17.96 N ATOM 1582 CA HIS A 210 -3.566 -5.390 8.325 1.00 17.77 C ATOM 1583 C HIS A 210 -2.407 -6.277 7.937 1.00 21.70 C ATOM 1584 O HIS A 210 -1.726 -6.001 6.942 1.00 21.48 O ATOM 1585 CB HIS A 210 -3.006 -4.069 8.868 1.00 18.14 C ATOM 1586 CG HIS A 210 -4.006 -2.961 8.894 1.00 21.47 C ATOM 1587 ND1 HIS A 210 -4.593 -2.503 10.059 1.00 23.34 N ATOM 1588 CD2 HIS A 210 -4.549 -2.238 7.888 1.00 21.71 C ATOM 1589 CE1 HIS A 210 -5.449 -1.540 9.761 1.00 22.35 C ATOM 1590 NE2 HIS A 210 -5.422 -1.344 8.453 1.00 23.24 N ATOM 1591 N SER A 211 -2.098 -7.241 8.794 1.00 17.87 N ATOM 1592 CA SER A 211 -0.921 -8.067 8.587 1.00 19.27 C ATOM 1593 C SER A 211 -1.146 -9.592 8.616 1.00 26.64 C ATOM 1594 O SER A 211 -0.448 -10.332 9.309 1.00 26.39 O ATOM 1595 CB SER A 211 0.158 -7.629 9.576 1.00 22.90 C ATOM 1596 OG SER A 211 0.217 -8.511 10.671 1.00 44.82 O ATOM 1597 N GLN A 212 -2.108 -10.057 7.818 1.00 27.54 N ATOM 1598 CA GLN A 212 -2.413 -11.478 7.721 1.00 27.35 C ATOM 1599 C GLN A 212 -1.381 -12.225 6.894 1.00 30.21 C ATOM 1600 O GLN A 212 -0.643 -11.646 6.080 1.00 30.72 O ATOM 1601 CB GLN A 212 -3.808 -11.699 7.108 1.00 29.50 C ATOM 1602 CG GLN A 212 -4.905 -10.827 7.671 1.00 34.59 C ATOM 1603 CD GLN A 212 -6.242 -11.081 6.981 1.00 52.52 C ATOM 1604 OE1 GLN A 212 -6.342 -11.945 6.114 1.00 49.14 O ATOM 1605 NE2 GLN A 212 -7.262 -10.311 7.344 1.00 38.25 N ATOM 1606 N PHE A 213 -1.348 -13.535 7.078 1.00 27.06 N ATOM 1607 CA PHE A 213 -0.449 -14.404 6.329 1.00 26.81 C ATOM 1608 C PHE A 213 0.985 -13.884 6.173 1.00 30.62 C ATOM 1609 O PHE A 213 1.551 -13.897 5.072 1.00 28.56 O ATOM 1610 CB PHE A 213 -1.058 -14.796 4.993 1.00 28.26 C ATOM 1611 CG PHE A 213 -2.468 -15.307 5.112 1.00 30.29 C ATOM 1612 CD1 PHE A 213 -2.714 -16.614 5.520 1.00 33.98 C ATOM 1613 CD2 PHE A 213 -3.546 -14.459 4.909 1.00 31.99 C ATOM 1614 CE1 PHE A 213 -4.017 -17.066 5.705 1.00 35.59 C ATOM 1615 CE2 PHE A 213 -4.863 -14.906 5.077 1.00 35.48 C ATOM 1616 CZ PHE A 213 -5.092 -16.209 5.474 1.00 34.10 C ATOM 1617 N ILE A 214 1.570 -13.422 7.275 1.00 27.57 N ATOM 1618 CA ILE A 214 2.966 -12.995 7.235 1.00 27.29 C ATOM 1619 C ILE A 214 3.575 -14.376 7.230 1.00 32.88 C ATOM 1620 O ILE A 214 3.011 -15.308 7.819 1.00 35.68 O ATOM 1621 CB ILE A 214 3.321 -12.171 8.509 1.00 30.17 C ATOM 1622 CG1 ILE A 214 2.611 -10.837 8.458 1.00 31.74 C ATOM 1623 CG2 ILE A 214 4.804 -11.968 8.675 1.00 26.72 C ATOM 1624 CD1 ILE A 214 2.850 -10.105 7.187 1.00 39.88 C ATOM 1625 N GLY A 215 4.611 -14.579 6.441 1.00 27.39 N ATOM 1626 CA GLY A 215 5.151 -15.923 6.331 1.00 26.42 C ATOM 1627 C GLY A 215 6.084 -16.345 7.447 1.00 24.35 C ATOM 1628 O GLY A 215 6.949 -17.189 7.231 1.00 24.42 O ATOM 1629 N TYR A 216 5.939 -15.736 8.626 1.00 19.43 N ATOM 1630 CA TYR A 216 6.793 -16.055 9.768 1.00 17.53 C ATOM 1631 C TYR A 216 5.922 -15.997 11.021 1.00 18.43 C ATOM 1632 O TYR A 216 4.968 -15.226 11.077 1.00 16.62 O ATOM 1633 CB TYR A 216 7.934 -15.043 9.885 1.00 16.10 C ATOM 1634 CG TYR A 216 8.764 -15.022 8.637 1.00 14.00 C ATOM 1635 CD1 TYR A 216 9.731 -15.988 8.413 1.00 16.07 C ATOM 1636 CD2 TYR A 216 8.508 -14.084 7.635 1.00 13.07 C ATOM 1637 CE1 TYR A 216 10.430 -16.049 7.191 1.00 14.20 C ATOM 1638 CE2 TYR A 216 9.212 -14.113 6.421 1.00 13.10 C ATOM 1639 CZ TYR A 216 10.165 -15.087 6.210 1.00 16.19 C ATOM 1640 OH TYR A 216 10.841 -15.148 5.003 1.00 17.76 O ATOM 1641 N PRO A 217 6.235 -16.827 12.026 1.00 16.12 N ATOM 1642 CA PRO A 217 5.363 -16.742 13.218 1.00 15.39 C ATOM 1643 C PRO A 217 5.522 -15.415 13.945 1.00 17.55 C ATOM 1644 O PRO A 217 6.639 -14.929 14.115 1.00 17.42 O ATOM 1645 CB PRO A 217 5.913 -17.827 14.166 1.00 18.03 C ATOM 1646 CG PRO A 217 6.965 -18.615 13.382 1.00 22.19 C ATOM 1647 CD PRO A 217 7.347 -17.794 12.166 1.00 16.91 C ATOM 1648 N ILE A 218 4.406 -14.879 14.418 1.00 15.86 N ATOM 1649 CA ILE A 218 4.401 -13.639 15.203 1.00 16.22 C ATOM 1650 C ILE A 218 3.909 -14.038 16.593 1.00 20.34 C ATOM 1651 O ILE A 218 2.816 -14.617 16.727 1.00 21.02 O ATOM 1652 CB ILE A 218 3.449 -12.585 14.612 1.00 19.53 C ATOM 1653 CG1 ILE A 218 3.894 -12.162 13.197 1.00 20.65 C ATOM 1654 CG2 ILE A 218 3.436 -11.327 15.481 1.00 20.33 C ATOM 1655 CD1 ILE A 218 2.893 -11.200 12.572 1.00 28.86 C ATOM 1656 N THR A 219 4.696 -13.719 17.617 1.00 16.10 N ATOM 1657 CA THR A 219 4.299 -14.038 18.993 1.00 14.00 C ATOM 1658 C THR A 219 4.070 -12.733 19.722 1.00 17.88 C ATOM 1659 O THR A 219 4.949 -11.857 19.717 1.00 18.11 O ATOM 1660 CB THR A 219 5.414 -14.769 19.723 1.00 17.59 C ATOM 1661 OG1 THR A 219 5.750 -15.978 19.020 1.00 17.38 O ATOM 1662 CG2 THR A 219 4.951 -15.129 21.179 1.00 20.54 C ATOM 1663 N LEU A 220 2.971 -12.660 20.457 1.00 12.49 N ATOM 1664 CA LEU A 220 2.714 -11.485 21.287 1.00 13.10 C ATOM 1665 C LEU A 220 3.138 -11.786 22.739 1.00 15.55 C ATOM 1666 O LEU A 220 2.649 -12.759 23.348 1.00 15.35 O ATOM 1667 CB LEU A 220 1.212 -11.139 21.250 1.00 13.62 C ATOM 1668 CG LEU A 220 0.748 -9.938 22.092 1.00 17.93 C ATOM 1669 CD1 LEU A 220 1.467 -8.640 21.699 1.00 16.34 C ATOM 1670 CD2 LEU A 220 -0.758 -9.806 21.767 1.00 21.76 C ATOM 1671 N PHE A 221 4.024 -10.974 23.311 1.00 12.41 N ATOM 1672 CA PHE A 221 4.441 -11.208 24.687 1.00 12.58 C ATOM 1673 C PHE A 221 3.426 -10.488 25.559 1.00 14.97 C ATOM 1674 O PHE A 221 3.144 -9.312 25.357 1.00 16.99 O ATOM 1675 CB PHE A 221 5.806 -10.580 24.970 1.00 15.61 C ATOM 1676 CG PHE A 221 6.963 -11.287 24.354 1.00 15.89 C ATOM 1677 CD1 PHE A 221 6.809 -12.391 23.518 1.00 19.10 C ATOM 1678 CD2 PHE A 221 8.262 -10.881 24.706 1.00 19.66 C ATOM 1679 CE1 PHE A 221 7.934 -13.088 23.057 1.00 21.81 C ATOM 1680 CE2 PHE A 221 9.376 -11.559 24.234 1.00 20.14 C ATOM 1681 CZ PHE A 221 9.221 -12.668 23.426 1.00 19.25 C ATOM 1682 N VAL A 222 2.864 -11.195 26.527 1.00 12.96 N ATOM 1683 CA VAL A 222 1.849 -10.597 27.388 1.00 14.26 C ATOM 1684 C VAL A 222 2.220 -10.822 28.841 1.00 15.74 C ATOM 1685 O VAL A 222 3.015 -11.690 29.146 1.00 14.71 O ATOM 1686 CB VAL A 222 0.430 -11.191 27.095 1.00 20.94 C ATOM 1687 CG1 VAL A 222 0.150 -11.159 25.610 1.00 23.04 C ATOM 1688 CG2 VAL A 222 0.324 -12.630 27.616 1.00 20.87 C ATOM 1689 N GLU A 223 1.687 -9.993 29.733 1.00 16.58 N ATOM 1690 CA GLU A 223 1.995 -10.174 31.144 1.00 16.62 C ATOM 1691 C GLU A 223 0.668 -10.336 31.862 1.00 19.21 C ATOM 1692 O GLU A 223 0.053 -9.341 32.229 1.00 19.55 O ATOM 1693 CB GLU A 223 2.748 -8.982 31.730 1.00 18.30 C ATOM 1694 CG GLU A 223 3.136 -9.258 33.192 1.00 30.77 C ATOM 1695 CD GLU A 223 4.086 -8.227 33.776 1.00 54.48 C ATOM 1696 OE1 GLU A 223 5.307 -8.326 33.531 1.00 55.01 O ATOM 1697 OE2 GLU A 223 3.601 -7.346 34.511 1.00 46.61 O ATOM 1698 N LYS A 224 0.199 -11.570 31.991 1.00 16.00 N ATOM 1699 CA LYS A 224 -1.112 -11.816 32.573 1.00 15.19 C ATOM 1700 C LYS A 224 -1.093 -12.746 33.782 1.00 17.91 C ATOM 1701 O LYS A 224 -2.167 -13.054 34.336 1.00 15.33 O ATOM 1702 CB LYS A 224 -2.030 -12.426 31.513 1.00 17.90 C ATOM 1703 CG LYS A 224 -2.210 -11.548 30.313 1.00 26.12 C ATOM 1704 CD LYS A 224 -2.633 -12.392 29.101 1.00 28.22 C ATOM 1705 CE LYS A 224 -4.096 -12.292 28.840 1.00 32.91 C ATOM 1706 NZ LYS A 224 -4.401 -12.951 27.527 1.00 27.15 N ATOM 1707 N GLU A 225 0.106 -13.185 34.173 1.00 14.54 N ATOM 1708 CA GLU A 225 0.239 -14.179 35.258 1.00 14.71 C ATOM 1709 C GLU A 225 1.256 -13.746 36.295 1.00 18.34 C ATOM 1710 O GLU A 225 1.814 -14.589 37.010 1.00 18.36 O ATOM 1711 CB GLU A 225 0.679 -15.525 34.686 1.00 15.90 C ATOM 1712 CG GLU A 225 -0.350 -16.181 33.792 1.00 28.82 C ATOM 1713 CD GLU A 225 0.195 -17.376 33.039 1.00 42.95 C ATOM 1714 OE1 GLU A 225 1.117 -18.049 33.532 1.00 48.89 O ATOM 1715 OE2 GLU A 225 -0.335 -17.664 31.963 1.00 31.53 O ATOM 1716 N ARG A 226 1.462 -12.438 36.425 1.00 15.92 N ATOM 1717 CA ARG A 226 2.454 -11.981 37.369 1.00 14.23 C ATOM 1718 C ARG A 226 2.025 -12.353 38.791 1.00 21.19 C ATOM 1719 O ARG A 226 0.872 -12.126 39.169 1.00 19.58 O ATOM 1720 CB ARG A 226 2.664 -10.494 37.240 1.00 16.90 C ATOM 1721 CG ARG A 226 3.926 -10.030 37.939 1.00 23.68 C ATOM 1722 CD ARG A 226 4.186 -8.585 37.606 1.00 28.85 C ATOM 1723 NE ARG A 226 5.383 -8.057 38.262 1.00 29.08 N ATOM 1724 CZ ARG A 226 6.492 -7.726 37.616 1.00 32.45 C ATOM 1725 NH1 ARG A 226 6.574 -7.890 36.293 1.00 20.35 N ATOM 1726 NH2 ARG A 226 7.500 -7.205 38.291 1.00 22.05 N ATOM 1727 N ASP A 227 2.944 -12.948 39.563 1.00 15.80 N ATOM 1728 CA ASP A 227 2.613 -13.350 40.922 1.00 14.75 C ATOM 1729 C ASP A 227 2.375 -12.089 41.727 1.00 19.50 C ATOM 1730 O ASP A 227 3.143 -11.129 41.634 1.00 20.98 O ATOM 1731 CB ASP A 227 3.749 -14.154 41.556 1.00 16.28 C ATOM 1732 CG ASP A 227 4.094 -15.425 40.769 1.00 27.19 C ATOM 1733 OD1 ASP A 227 3.205 -15.963 40.065 1.00 27.83 O ATOM 1734 OD2 ASP A 227 5.243 -15.917 40.914 1.00 27.14 O ATOM 1735 N LYS A 228 1.383 -12.123 42.599 1.00 18.23 N ATOM 1736 CA LYS A 228 1.079 -10.950 43.412 1.00 19.84 C ATOM 1737 C LYS A 228 2.212 -10.487 44.308 1.00 23.17 C ATOM 1738 O LYS A 228 2.344 -9.280 44.594 1.00 21.25 O ATOM 1739 CB LYS A 228 -0.173 -11.187 44.258 1.00 23.29 C ATOM 1740 CG LYS A 228 -0.079 -12.302 45.274 1.00 32.07 C ATOM 1741 CD LYS A 228 -1.343 -12.264 46.170 1.00 37.01 C ATOM 1742 CE LYS A 228 -1.172 -13.091 47.428 1.00 36.98 C ATOM 1743 NZ LYS A 228 -1.288 -14.544 47.141 1.00 50.36 N ATOM 1744 N GLU A 229 3.037 -11.434 44.747 1.00 19.12 N ATOM 1745 CA GLU A 229 4.135 -11.120 45.669 1.00 19.04 C ATOM 1746 C GLU A 229 5.285 -10.337 45.055 1.00 22.40 C ATOM 1747 O GLU A 229 6.165 -9.840 45.770 1.00 23.54 O ATOM 1748 CB GLU A 229 4.619 -12.346 46.457 1.00 19.67 C ATOM 1749 CG GLU A 229 3.523 -13.115 47.217 1.00 22.45 C ATOM 1750 CD GLU A 229 2.718 -14.114 46.362 1.00 32.52 C ATOM 1751 OE1 GLU A 229 2.799 -14.094 45.111 1.00 20.09 O ATOM 1752 OE2 GLU A 229 2.019 -14.964 46.946 1.00 31.13 O ATOM 1753 N VAL A 230 5.215 -10.152 43.738 1.00 17.24 N ATOM 1754 CA VAL A 230 6.154 -9.329 42.999 1.00 17.82 C ATOM 1755 C VAL A 230 5.375 -8.449 42.009 1.00 25.39 C ATOM 1756 O VAL A 230 5.863 -8.163 40.904 1.00 26.75 O ATOM 1757 CB VAL A 230 7.229 -10.202 42.264 1.00 20.46 C ATOM 1758 CG1 VAL A 230 8.208 -10.775 43.289 1.00 21.19 C ATOM 1759 CG2 VAL A 230 6.575 -11.311 41.418 1.00 20.12 C ATOM 1760 N SER A 231 4.150 -8.056 42.366 1.00 19.74 N ATOM 1761 CA SER A 231 3.380 -7.199 41.450 1.00 39.21 C ATOM 1762 C SER A 231 4.153 -5.916 41.180 1.00 67.31 C ATOM 1763 O SER A 231 4.543 -5.222 42.114 1.00 37.55 O ATOM 1764 CB SER A 231 2.003 -6.852 42.009 1.00 42.91 C ATOM 1765 OG SER A 231 1.253 -8.024 42.234 1.00 54.84 O TER 1766 SER A 231 HETATM 1767 C1 XJX A1232 13.790 0.293 10.800 1.00 15.54 C HETATM 1768 C2 XJX A1232 13.097 -0.409 9.627 1.00 12.98 C HETATM 1769 C3 XJX A1232 13.565 0.183 8.302 1.00 14.93 C HETATM 1770 C4 XJX A1232 13.280 -1.925 9.716 1.00 9.53 C HETATM 1771 C5 XJX A1232 14.378 -2.556 9.133 1.00 15.89 C HETATM 1772 C6 XJX A1232 14.593 -3.928 9.284 1.00 12.21 C HETATM 1773 C7 XJX A1232 15.763 -4.569 8.623 1.00 9.97 C HETATM 1774 O8 XJX A1232 16.684 -4.985 9.297 1.00 12.42 O HETATM 1775 N9 XJX A1232 15.793 -4.597 7.283 1.00 13.46 N HETATM 1776 C10 XJX A1232 16.882 -5.218 6.515 1.00 13.49 C HETATM 1777 C11 XJX A1232 16.266 -5.375 5.153 1.00 13.44 C HETATM 1778 C12 XJX A1232 16.789 -5.984 4.019 1.00 17.34 C HETATM 1779 C13 XJX A1232 16.053 -6.015 2.848 1.00 16.78 C HETATM 1780 C14 XJX A1232 14.788 -5.437 2.793 1.00 25.83 C HETATM 1781 C15 XJX A1232 13.987 -5.448 1.514 1.00 39.58 C HETATM 1782 N16 XJX A1232 14.297 -4.266 0.628 1.00 54.90 N HETATM 1783 C18 XJX A1232 14.308 -2.986 1.412 1.00 62.09 C HETATM 1784 C19 XJX A1232 14.638 -1.795 0.524 1.00 64.75 C HETATM 1785 N20 XJX A1232 15.958 -2.012 -0.141 1.00 66.96 N HETATM 1786 C22 XJX A1232 16.369 -0.825 -0.948 1.00 67.04 C HETATM 1787 C23 XJX A1232 15.912 -3.253 -0.973 1.00 63.79 C HETATM 1788 C24 XJX A1232 15.599 -4.453 -0.093 1.00 59.84 C HETATM 1789 C25 XJX A1232 14.282 -4.834 3.941 1.00 22.06 C HETATM 1790 C26 XJX A1232 15.019 -4.810 5.112 1.00 12.57 C HETATM 1791 C27 XJX A1232 14.667 -4.183 6.433 1.00 12.00 C HETATM 1792 C28 XJX A1232 13.715 -4.685 10.039 1.00 11.17 C HETATM 1793 O29 XJX A1232 13.937 -6.030 10.185 1.00 12.20 O HETATM 1794 C30 XJX A1232 12.626 -4.073 10.659 1.00 12.43 C HETATM 1795 C31 XJX A1232 12.417 -2.711 10.512 1.00 10.77 C HETATM 1796 O32 XJX A1232 11.320 -2.163 11.117 1.00 13.22 O HETATM 1797 O HOH A2001 37.735 7.874 34.248 1.00 50.95 O HETATM 1798 O HOH A2002 23.812 11.740 21.660 1.00 31.84 O HETATM 1799 O HOH A2003 24.908 16.034 9.888 1.00 44.12 O HETATM 1800 O HOH A2004 21.616 14.288 5.980 1.00 26.25 O HETATM 1801 O HOH A2005 24.044 14.576 8.478 1.00 31.18 O HETATM 1802 O HOH A2006 17.053 17.570 9.466 1.00 18.04 O HETATM 1803 O HOH A2007 13.498 13.761 -1.524 1.00 34.36 O HETATM 1804 O HOH A2008 -6.014 2.712 7.110 1.00 32.25 O HETATM 1805 O HOH A2009 11.676 17.084 11.496 1.00 22.55 O HETATM 1806 O HOH A2010 5.436 20.924 5.062 1.00 31.93 O HETATM 1807 O HOH A2011 6.691 20.068 7.516 1.00 21.79 O HETATM 1808 O HOH A2012 4.066 -11.006 3.353 1.00 36.45 O HETATM 1809 O HOH A2013 5.619 -10.325 1.562 1.00 46.07 O HETATM 1810 O HOH A2014 5.237 20.630 9.861 1.00 27.64 O HETATM 1811 O HOH A2015 0.087 12.710 13.696 1.00 37.25 O HETATM 1812 O HOH A2016 25.852 -26.098 -0.884 1.00 37.40 O HETATM 1813 O HOH A2017 -3.985 18.966 12.399 1.00 34.12 O HETATM 1814 O HOH A2018 -5.487 9.700 15.009 1.00 27.37 O HETATM 1815 O HOH A2019 -1.124 17.085 5.922 1.00 39.74 O HETATM 1816 O HOH A2020 -4.840 9.388 7.664 1.00 29.09 O HETATM 1817 O HOH A2021 -6.208 12.004 8.164 1.00 27.42 O HETATM 1818 O HOH A2022 -10.162 10.618 13.075 1.00 24.86 O HETATM 1819 O HOH A2023 12.754 -13.574 23.230 1.00 44.36 O HETATM 1820 O HOH A2024 13.713 -17.354 20.891 1.00 47.12 O HETATM 1821 O HOH A2025 8.604 -18.484 17.286 1.00 35.37 O HETATM 1822 O HOH A2026 -7.912 3.001 11.650 1.00 34.98 O HETATM 1823 O HOH A2027 -1.409 -3.592 34.078 1.00 48.33 O HETATM 1824 O HOH A2028 1.572 -6.152 28.943 1.00 35.16 O HETATM 1825 O HOH A2029 -1.226 -2.106 11.181 1.00 21.22 O HETATM 1826 O HOH A2030 -7.022 1.523 9.287 1.00 37.88 O HETATM 1827 O HOH A2031 -6.046 3.779 13.641 1.00 22.17 O HETATM 1828 O HOH A2032 2.328 -6.100 7.697 1.00 16.38 O HETATM 1829 O HOH A2033 28.514 -1.842 4.416 1.00 28.85 O HETATM 1830 O HOH A2034 26.628 -4.753 2.782 1.00 32.07 O HETATM 1831 O HOH A2035 20.294 -6.745 3.194 1.00 28.25 O HETATM 1832 O HOH A2036 7.487 -0.204 5.715 1.00 34.25 O HETATM 1833 O HOH A2037 3.060 -2.242 4.758 1.00 36.50 O HETATM 1834 O HOH A2038 5.397 -0.629 3.352 1.00 31.83 O HETATM 1835 O HOH A2039 9.365 -0.109 10.022 1.00 27.24 O HETATM 1836 O HOH A2040 10.553 1.573 5.900 1.00 42.04 O HETATM 1837 O HOH A2041 5.851 -12.798 4.559 1.00 29.34 O HETATM 1838 O HOH A2042 13.422 -9.342 1.040 1.00 21.09 O HETATM 1839 O HOH A2043 10.919 -3.265 3.425 1.00 33.94 O HETATM 1840 O HOH A2044 6.392 -7.102 2.941 1.00 39.38 O HETATM 1841 O HOH A2045 7.347 -14.043 3.070 1.00 31.14 O HETATM 1842 O HOH A2046 11.094 -10.186 0.140 1.00 27.77 O HETATM 1843 O HOH A2047 8.114 -9.969 2.988 1.00 23.19 O HETATM 1844 O HOH A2048 19.145 -10.306 -2.270 1.00 43.97 O HETATM 1845 O HOH A2049 11.707 -20.560 8.428 1.00 24.70 O HETATM 1846 O HOH A2050 13.589 -20.618 6.356 1.00 17.76 O HETATM 1847 O HOH A2051 8.570 -19.247 8.074 1.00 29.58 O HETATM 1848 O HOH A2052 8.719 -17.951 0.513 1.00 43.19 O HETATM 1849 O HOH A2053 16.223 -20.080 6.760 1.00 16.80 O HETATM 1850 O HOH A2054 19.466 -23.713 3.247 1.00 17.66 O HETATM 1851 O HOH A2055 19.111 -24.918 -0.326 1.00 20.03 O HETATM 1852 O HOH A2056 22.626 -24.817 -1.328 1.00 28.14 O HETATM 1853 O HOH A2057 25.498 -23.679 -1.501 1.00 37.13 O HETATM 1854 O HOH A2058 24.100 -22.475 10.409 1.00 31.25 O HETATM 1855 O HOH A2059 24.173 -16.616 0.534 1.00 19.80 O HETATM 1856 O HOH A2060 23.307 -20.861 16.028 1.00 31.37 O HETATM 1857 O HOH A2061 24.201 -23.185 16.484 1.00 34.65 O HETATM 1858 O HOH A2062 15.957 -20.982 9.459 1.00 16.70 O HETATM 1859 O HOH A2063 19.659 -20.191 16.900 1.00 33.42 O HETATM 1860 O HOH A2064 12.127 -21.833 12.507 1.00 47.00 O HETATM 1861 O HOH A2065 10.264 -20.045 12.623 1.00 31.35 O HETATM 1862 O HOH A2066 17.251 -16.462 15.352 1.00 26.30 O HETATM 1863 O HOH A2067 9.739 -19.420 10.515 1.00 26.63 O HETATM 1864 O HOH A2068 13.147 -20.753 10.864 1.00 15.73 O HETATM 1865 O HOH A2069 11.733 -15.545 21.311 1.00 34.92 O HETATM 1866 O HOH A2070 9.230 -16.339 20.119 1.00 36.73 O HETATM 1867 O HOH A2071 12.756 -11.023 21.842 1.00 21.99 O HETATM 1868 O HOH A2072 -10.162 -8.422 11.036 1.00 38.91 O HETATM 1869 O HOH A2073 7.202 -6.012 28.250 1.00 39.87 O HETATM 1870 O HOH A2074 9.964 -4.284 27.032 1.00 34.32 O HETATM 1871 O HOH A2075 3.395 -4.650 30.475 1.00 28.46 O HETATM 1872 O HOH A2076 -1.803 -4.627 31.542 1.00 51.12 O HETATM 1873 O HOH A2077 4.425 -4.331 37.578 1.00 41.76 O HETATM 1874 O HOH A2078 12.815 0.644 30.575 1.00 41.70 O HETATM 1875 O HOH A2079 10.331 5.303 29.743 1.00 39.78 O HETATM 1876 O HOH A2080 2.957 -20.106 38.895 1.00 37.91 O HETATM 1877 O HOH A2081 8.557 -2.852 24.732 1.00 15.15 O HETATM 1878 O HOH A2082 12.423 -3.106 24.400 1.00 25.23 O HETATM 1879 O HOH A2083 11.906 -5.126 14.114 1.00 12.22 O HETATM 1880 O HOH A2084 16.414 -7.767 10.341 1.00 11.71 O HETATM 1881 O HOH A2085 23.009 -10.723 8.317 1.00 18.39 O HETATM 1882 O HOH A2086 28.657 -0.253 6.729 1.00 17.99 O HETATM 1883 O HOH A2087 25.601 -2.362 3.293 1.00 27.34 O HETATM 1884 O HOH A2088 23.459 -5.026 3.566 1.00 27.19 O HETATM 1885 O HOH A2089 20.253 -4.833 5.312 1.00 17.38 O HETATM 1886 O HOH A2090 24.491 8.259 2.795 1.00 23.04 O HETATM 1887 O HOH A2091 18.727 -2.628 4.381 1.00 20.30 O HETATM 1888 O HOH A2092 13.388 3.578 5.331 1.00 38.63 O HETATM 1889 O HOH A2093 18.545 2.888 0.595 1.00 32.64 O HETATM 1890 O HOH A2094 16.623 -1.377 5.749 1.00 29.06 O HETATM 1891 O HOH A2095 21.005 15.046 2.753 1.00 36.54 O HETATM 1892 O HOH A2096 25.065 12.957 5.737 1.00 37.28 O HETATM 1893 O HOH A2097 17.468 8.102 4.065 1.00 16.45 O HETATM 1894 O HOH A2098 17.333 6.524 -1.078 1.00 23.68 O HETATM 1895 O HOH A2099 20.758 13.218 -0.258 1.00 26.60 O HETATM 1896 O HOH A2100 18.803 9.256 -2.627 1.00 36.45 O HETATM 1897 O HOH A2101 15.115 6.001 -2.491 1.00 29.85 O HETATM 1898 O HOH A2102 8.851 12.416 -4.592 1.00 32.13 O HETATM 1899 O HOH A2103 10.961 6.990 -1.525 1.00 34.96 O HETATM 1900 O HOH A2104 13.633 12.514 0.743 1.00 20.75 O HETATM 1901 O HOH A2105 11.386 13.154 -2.863 1.00 28.31 O HETATM 1902 O HOH A2106 1.392 20.520 -1.592 1.00 39.29 O HETATM 1903 O HOH A2107 -3.759 13.723 4.853 1.00 32.23 O HETATM 1904 O HOH A2108 -5.448 8.008 0.146 1.00 42.59 O HETATM 1905 O HOH A2109 -8.158 10.852 6.557 1.00 29.81 O HETATM 1906 O HOH A2110 -4.353 4.687 7.494 1.00 29.01 O HETATM 1907 O HOH A2111 -5.553 0.759 5.650 1.00 43.52 O HETATM 1908 O HOH A2112 9.250 1.393 -1.790 1.00 47.01 O HETATM 1909 O HOH A2113 7.920 2.171 2.829 1.00 22.76 O HETATM 1910 O HOH A2114 8.429 1.972 11.486 1.00 28.06 O HETATM 1911 O HOH A2115 10.924 3.677 5.131 1.00 24.07 O HETATM 1912 O HOH A2116 14.959 7.499 5.292 1.00 19.82 O HETATM 1913 O HOH A2117 5.916 2.249 11.813 1.00 24.91 O HETATM 1914 O HOH A2118 6.343 11.716 17.459 1.00 33.40 O HETATM 1915 O HOH A2119 9.386 13.610 19.841 1.00 34.27 O HETATM 1916 O HOH A2120 15.034 3.011 23.798 1.00 33.84 O HETATM 1917 O HOH A2121 28.372 -11.813 14.696 1.00 34.05 O HETATM 1918 O HOH A2122 22.349 -7.726 3.538 1.00 33.46 O HETATM 1919 O HOH A2123 24.393 -12.121 5.949 1.00 11.36 O HETATM 1920 O HOH A2124 28.163 -9.723 4.951 1.00 46.22 O HETATM 1921 O HOH A2125 28.674 -12.413 11.836 1.00 44.92 O HETATM 1922 O HOH A2126 33.280 -1.643 17.101 1.00 29.13 O HETATM 1923 O HOH A2127 25.184 -4.699 11.860 1.00 14.81 O HETATM 1924 O HOH A2128 32.345 -3.800 11.145 1.00 30.10 O HETATM 1925 O HOH A2129 33.605 -2.066 12.742 1.00 34.30 O HETATM 1926 O HOH A2130 28.295 -6.468 18.038 1.00 24.54 O HETATM 1927 O HOH A2131 26.402 -7.294 19.793 1.00 38.54 O HETATM 1928 O HOH A2132 28.505 -3.052 18.531 1.00 24.31 O HETATM 1929 O HOH A2133 31.586 -0.037 12.945 1.00 26.04 O HETATM 1930 O HOH A2134 18.806 11.006 18.980 1.00 36.56 O HETATM 1931 O HOH A2135 20.767 5.395 21.296 1.00 30.17 O HETATM 1932 O HOH A2136 16.072 13.492 17.906 1.00 16.29 O HETATM 1933 O HOH A2137 16.551 10.817 20.734 1.00 22.84 O HETATM 1934 O HOH A2138 16.831 18.527 17.046 1.00 31.48 O HETATM 1935 O HOH A2139 9.992 17.196 13.813 1.00 22.02 O HETATM 1936 O HOH A2140 12.958 14.943 12.305 1.00 16.01 O HETATM 1937 O HOH A2141 21.630 17.364 17.399 1.00 44.61 O HETATM 1938 O HOH A2142 19.215 13.203 17.972 1.00 19.23 O HETATM 1939 O HOH A2143 21.859 6.060 18.978 1.00 18.84 O HETATM 1940 O HOH A2144 28.283 4.897 15.119 1.00 28.93 O HETATM 1941 O HOH A2145 18.663 0.764 23.806 1.00 52.66 O HETATM 1942 O HOH A2146 32.102 2.045 20.186 1.00 24.01 O HETATM 1943 O HOH A2147 20.840 -2.709 22.959 1.00 44.49 O HETATM 1944 O HOH A2148 18.490 -5.429 28.354 1.00 43.28 O HETATM 1945 O HOH A2149 13.935 -8.932 22.888 1.00 42.38 O HETATM 1946 O HOH A2150 18.721 -14.696 17.680 1.00 40.92 O HETATM 1947 O HOH A2151 16.587 -11.546 18.655 1.00 30.30 O HETATM 1948 O HOH A2152 24.868 -11.292 13.066 1.00 18.20 O HETATM 1949 O HOH A2153 26.073 -12.298 16.135 1.00 31.69 O HETATM 1950 O HOH A2154 19.082 -13.985 15.367 1.00 20.43 O HETATM 1951 O HOH A2155 17.109 -10.336 16.732 1.00 19.62 O HETATM 1952 O HOH A2156 -3.879 14.354 22.127 1.00 18.59 O HETATM 1953 O HOH A2157 0.452 12.485 22.968 1.00 41.59 O HETATM 1954 O HOH A2158 -0.788 12.008 18.531 1.00 41.58 O HETATM 1955 O HOH A2159 -3.898 10.601 16.992 1.00 27.35 O HETATM 1956 O HOH A2160 -2.724 1.085 27.375 1.00 33.91 O HETATM 1957 O HOH A2161 -4.377 5.486 23.008 1.00 28.38 O HETATM 1958 O HOH A2162 -4.223 5.965 17.035 1.00 22.73 O HETATM 1959 O HOH A2163 0.012 -5.396 27.170 1.00 34.37 O HETATM 1960 O HOH A2164 -5.627 -4.597 29.913 1.00 51.84 O HETATM 1961 O HOH A2165 -3.235 -8.744 28.028 1.00 31.92 O HETATM 1962 O HOH A2166 -3.035 -5.962 27.465 1.00 27.71 O HETATM 1963 O HOH A2167 -13.200 -8.363 23.231 1.00 29.00 O HETATM 1964 O HOH A2168 -9.074 -7.634 13.514 1.00 30.26 O HETATM 1965 O HOH A2169 -13.473 -3.145 18.678 1.00 29.61 O HETATM 1966 O HOH A2170 -0.728 -4.748 11.583 1.00 20.19 O HETATM 1967 O HOH A2171 -1.705 -7.832 4.907 1.00 30.04 O HETATM 1968 O HOH A2172 -0.438 -12.799 10.893 1.00 38.53 O HETATM 1969 O HOH A2173 -9.611 -9.157 8.638 1.00 34.56 O HETATM 1970 O HOH A2174 0.087 -9.210 5.119 1.00 28.49 O HETATM 1971 O HOH A2175 1.307 -11.215 3.680 1.00 35.43 O HETATM 1972 O HOH A2176 7.474 -17.921 5.131 1.00 29.21 O HETATM 1973 O HOH A2177 2.413 -15.356 11.202 1.00 31.35 O HETATM 1974 O HOH A2178 7.494 -15.568 17.031 1.00 18.18 O HETATM 1975 O HOH A2179 3.853 -7.749 27.367 1.00 29.30 O HETATM 1976 O HOH A2180 3.166 -4.031 33.356 1.00 36.32 O HETATM 1977 O HOH A2181 -0.427 -6.733 31.126 1.00 35.25 O HETATM 1978 O HOH A2182 1.441 -7.363 35.713 1.00 33.57 O HETATM 1979 O HOH A2183 0.548 -5.685 33.697 1.00 41.41 O HETATM 1980 O HOH A2184 4.692 -5.044 35.113 1.00 36.72 O HETATM 1981 O HOH A2185 -0.662 -8.219 28.515 1.00 35.58 O HETATM 1982 O HOH A2186 -4.768 -13.561 33.488 1.00 15.98 O HETATM 1983 O HOH A2187 3.464 -17.830 34.658 1.00 31.97 O HETATM 1984 O HOH A2188 -0.040 -9.582 40.091 1.00 31.24 O HETATM 1985 O HOH A2189 5.459 -13.570 38.653 1.00 22.54 O HETATM 1986 O HOH A2190 4.565 -18.562 41.315 1.00 27.94 O HETATM 1987 O HOH A2191 0.644 -16.071 39.435 1.00 29.11 O HETATM 1988 O HOH A2192 -0.414 -14.253 42.619 1.00 32.86 O HETATM 1989 O HOH A2193 2.664 -7.187 46.472 1.00 39.29 O HETATM 1990 O HOH A2194 1.746 -16.471 43.648 1.00 28.26 O HETATM 1991 O HOH A2195 2.387 -15.739 49.334 1.00 27.40 O HETATM 1992 O HOH A2196 2.092 -17.762 45.874 1.00 38.94 O HETATM 1993 O HOH A2197 5.310 -8.023 47.649 1.00 33.44 O HETATM 1994 O HOH A2198 9.955 -3.764 12.525 1.00 12.92 O CONECT 1767 1768 CONECT 1768 1767 1769 1770 CONECT 1769 1768 CONECT 1770 1768 1771 1795 CONECT 1771 1770 1772 CONECT 1772 1771 1773 1792 CONECT 1773 1772 1774 1775 CONECT 1774 1773 CONECT 1775 1773 1776 1791 CONECT 1776 1775 1777 CONECT 1777 1776 1778 1790 CONECT 1778 1777 1779 CONECT 1779 1778 1780 CONECT 1780 1779 1781 1789 CONECT 1781 1780 1782 CONECT 1782 1781 1783 1788 CONECT 1783 1782 1784 CONECT 1784 1783 1785 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 1788 CONECT 1788 1782 1787 CONECT 1789 1780 1790 CONECT 1790 1777 1789 1791 CONECT 1791 1775 1790 CONECT 1792 1772 1793 1794 CONECT 1793 1792 CONECT 1794 1792 1795 CONECT 1795 1770 1794 1796 CONECT 1796 1795 MASTER 451 0 1 11 8 0 4 6 1993 1 30 20 END -TXJX_A_1232 02182210423D 1 1.00000 0.00000 0 61 64 0 0 0 0 999 V2000 13.7900 0.2930 10.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 -0.4090 9.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5650 0.1830 8.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2800 -1.9250 9.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3780 -2.5560 9.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5930 -3.9280 9.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7630 -4.5690 8.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6840 -4.9850 9.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7930 -4.5970 7.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8820 -5.2180 6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2660 -5.3750 5.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7890 -5.9840 4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0530 -6.0150 2.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7880 -5.4370 2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9870 -5.4480 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2970 -4.2660 0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3080 -2.9860 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6380 -1.7950 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9580 -2.0120 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3690 -0.8250 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9120 -3.2530 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5990 -4.4530 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2820 -4.8340 3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0190 -4.8100 5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6670 -4.1830 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7150 -4.6850 10.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 -6.0300 10.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 -4.0730 10.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 -2.7110 10.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3200 -2.1630 11.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4735 -0.1054 11.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7798 0.1743 10.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5688 1.2681 10.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1177 -0.2229 9.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1049 -0.2844 7.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3430 1.1577 8.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5540 0.0639 8.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0251 -2.0152 8.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 -6.1044 6.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6861 -4.6244 6.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6978 -6.4001 4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -6.4561 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0141 -5.4295 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1948 -6.2879 1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9953 -3.0531 2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4061 -2.8471 1.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6793 -0.9660 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9278 -1.6931 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2540 -1.0043 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6844 -0.6497 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4439 -0.0260 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7982 -3.3885 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2016 -3.1587 -1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 -5.2716 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3313 -4.5660 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3751 -4.4131 3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6153 -3.1871 6.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7995 -4.5369 6.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3073 -6.5845 10.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 -4.6181 11.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7201 -2.7345 11.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 26 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 5 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 30 61 1 0 0 0 0 M END FlexX Docking Score Protein: 2XJX Binding site defined by: XJX_A_1232T(g6CɌ`TNIR1<RulesList> <Rule> <Column>R1</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Index="0" Name="81"/> <Category Index="1" Name="66"/> <Category Index="2" Name="49"/> <Category Index="3" Name="87"/> <Category Index="4" Name="70"/> <Category Index="5" Name="8"/> <Category Index="6" Name="11"/> <Category Index="7" Name="35"/> <Category Index="8" Name="4"/> <Category Index="9" Name="61"/> <Category Index="10" Name="42"/> <Category Index="11" Name="85"/> <Category Index="12" Name="10"/> <Category Index="13" Name="59"/> <Category Index="14" Name="32"/> <Category Index="15" Name="71"/> <Category Index="16" Name="6"/> <Category Index="17" Name="47"/> <Category Index="18" Name="22"/> <Category Index="19" Name="88"/> <Category Index="20" Name="77"/> <Category Index="21" Name="82"/> <Category Index="22" Name="93"/> <Category Index="23" Name="16"/> <Category Index="24" Name="7"/> <Category Index="25" Name="75"/> <Category Index="26" Name="74"/> <Category Index="27" Name="37"/> <Category Index="28" Name="40"/> <Category Index="29" Name="73"/> <Category Index="30" Name="69"/> <Category Index="31" Name="67"/> <Category Index="32" Name="19"/> <Category Index="33" Name="17"/> <Category Index="34" Name="60"/> <Category Index="35" Name="51"/> <Category Index="36" Name="2"/> <Category Index="37" Name="72"/> <Category Index="38" Name="58"/> <Category Index="39" Name="68"/> <Category Index="40" Name="41"/> <Category Index="41" Name="12"/> <Category Index="42" Name="23"/> <Category Index="43" Name="20"/> <Category Index="44" Name="95"/> <Category Index="45" Name="45"/> <Category Index="46" Name="33"/> <Category Index="47" Name="38"/> <Category Index="48" Name="94"/> <Category Index="49" Name="27"/> <Category Index="50" Name="50"/> <Category Index="51" Name="15"/> <Category Index="52" Name="3"/> <Category Index="53" Name="9"/> <Category Index="54" Name="62"/> <Category Index="55" Name="21"/> <Category Index="56" Name="34"/> <Category Index="57" Name="44"/> <Category Index="58" Name="31"/> <Category Index="59" Name="54"/> <Category Index="60" Name="57"/> <Category Index="61" Name="28"/> <Category Index="62" Name="43"/> <Category Index="63" Name="79"/> <Category Index="64" Name="76"/> <Category Index="65" Name="89"/> <Category Index="66" Name="1"/> <Category Index="67" Name="84"/> <Category Index="68" Name="26"/> <Category Index="69" Name="46"/> <Category Index="70" Name="24"/> <Category Index="71" Name="90"/> <Category Index="72" Name="36"/> <Category Index="73" Name="64"/> <Category Index="74" Name="39"/> <Category Index="75" Name="13"/> <Category Index="76" Name="63"/> <Category Index="77" Name="29"/> <Category Index="78" Name="48"/> <Category Index="79" Name="55"/> <Category Index="80" Name="80"/> <Category Index="81" Name="18"/> <Category Index="82" Name="56"/> <Category Index="83" Name="86"/> <Category Index="84" Name="78"/> <Category Index="85" Name="53"/> <Category Index="86" Name="5"/> <Category Index="87" Name="65"/> <Category Index="88" Name="92"/> <Category Index="89" Name="30"/> <Category Index="90" Name="83"/> <Category Index="91" Name="52"/> <Category Index="92" Name="25"/> <Category Index="93" Name="91"/> </Categories> </Rule> </RulesList> ID_AND_OBJECT0 0 0 1 2 1 1 0 0 0 24 1 0 1 5 1 10 1 0 2 0 0 0 0 6 1000 0 0 1 19 7.787141 -0.3585066 3 1 1 0 0 0 0 5 2 0 0 6 1000 0 0 1 18 7.289708 -1.226009 3 1 1 0 1 0 0 5 3 0 0 6 1000 0 0 1 16 7.79227 -2.09055 3 1 1 0 2 0 0 5 4 0 0 6 1000 0 0 1 18 6.289712 -1.228969 3 1 1 0 3 0 0 5 5 0 0 6 1000 0 0 1 19 5.785881 -0.3651311 3 1 1 0 4 0 0 5 6 0 0 6 1000 0 0 1 19 4.785851 -0.3637379 3 1 1 0 5 0 0 5 7 0 0 6 1000 0 0 1 18 4.284564 -1.235025 3 1 1 0 6 0 0 5 8 0 0 6 1000 0 0 1 18 4.783309 -2.107704 3 1 1 0 7 0 0 5 9 0 0 6 1000 0 0 1 18 5.788426 -2.100256 3 1 1 0 8 0 0 5 10 0 0 8 1000 0 0 1 18 6.292284 -2.964043 3 1 1 0 9 0 0 5 11 0 0 8 1000 0 0 1 18 3.284565 -1.233584 3 1 1 0 10 0 0 5 12 1 0 0 0 7 LinkIDS 34 22 serialization::archive 15 1 0 0 6 1000 0 0 1 16 4.2858 0.5022583 3 1 1 0 11 0 0 5 13 0 0 8 1000 0 0 1 17 4.785749 1.368313 3 1 1 0 12 0 0 5 14 0 0 1 1000 0 0 1 18 7.042276 -2.960698 3 1 1 0 13 0 0 5 15 0 0 1 1000 0 0 1 17 2.90863 -1.882562 3 1 1 0 14 0 0 5 16 0 0 1 1000 0 0 0 3 1 1 0 15 0 0 5 17 0 0 1 1000 0 0 0 3 1 1 0 16 0 0 5 18 0 0 1 1000 0 0 0 3 1 1 0 17 0 0 5 19 0 0 1 1000 0 0 0 3 1 1 0 18 0 0 5 20 0 0 1 1000 0 0 0 3 1 1 0 19 0 0 5 21 0 0 1 1000 0 0 0 3 1 1 0 20 0 0 5 22 0 0 1 1000 0 0 0 3 1 1 0 21 0 0 5 23 0 0 1 1000 0 0 0 3 1 1 0 22 0 0 5 24 0 0 1 1000 0 0 0 3 1 1 0 23 0 0 0 0 24 1 0 1 11 1 3 25 0 0 1 0 0 0 1 0 0 0 11 26 0 0 1 0 1 0 1 0 11 27 0 0 1 0 1 0 2 0 11 28 0 0 21 0 1 1 3 0 11 29 0 0 20 0 1 1 4 0 11 30 0 0 21 0 1 1 5 0 11 31 0 0 20 0 1 1 6 0 11 32 0 0 21 0 1 1 7 0 11 33 0 0 20 0 1 1 8 0 11 34 0 0 1 0 1 0 9 0 11 35 0 0 1 0 1 0 10 0 11 36 0 0 1 0 1 0 11 0 11 37 0 0 2 0 1 0 12 0 11 38 0 0 1 0 1 0 33 0 11 39 0 0 1 0 1 0 34 0 11 40 0 0 1 0 1 0 35 0 11 41 0 0 1 0 1 0 36 0 11 42 0 0 1 0 1 0 37 0 11 43 0 0 1 0 1 0 38 0 11 44 0 0 1 0 1 0 39 0 11 45 0 0 1 0 1 0 40 0 11 46 0 0 1 0 1 0 41 0 11 47 0 0 1 0 1 0 42 0 11 48 0 0 1 0 1 0 43 0 0 1 14 1 4 49 0 25 25 5 1 5 2 5 3 5 4 5 5 5 6 5 7 5 8 5 9 5 10 5 11 5 12 5 13 5 14 5 15 5 16 5 17 5 18 5 19 5 20 5 21 5 22 5 23 5 24 5 50 1 0 7 LinkIDS 34 22 serialization::archive 15 1 0 0 6 1000 0 0 1 16 3.2858 0.5021999 3 1 1 0 24 0 0 0 1 11 25 1 2 11 26 1 3 11 27 3 8 11 28 3 4 11 29 4 5 11 30 5 6 11 31 6 7 11 32 7 8 11 33 8 9 11 34 6 10 11 35 5 11 11 36 11 12 11 37 9 13 11 38 10 14 11 39 15 0 11 40 16 0 11 41 17 0 11 42 18 1 11 43 19 2 11 44 20 2 11 45 21 2 11 46 22 4 11 47 23 7 11 48 11 24 11 51 0 0 1 0 1 0 0 0 53a43d72-43c8-4831-b174-36858a536560 0 1 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 2 R1 1 2 52 1 1 5 50 0 1 14 49 0 #F.AõmYR1_FragmentSet<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> m IEۜ.MOER1_ReagentID<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> W|t G&դZ R1_MWT<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> 8RA͎|s R1_MF<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> j%UCc)R1_Price<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> ɤ߇GꚒ<R1_Currency<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> c#r@G|CR1_Quantity<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> 3HDeC|R1_Units<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> yNq+"R1_eMolecules URL<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> j/ KP>PS 2R1_eMolecules Product URL<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> XevGÂYu R1_CAS<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> ݠ0Cbc@.o"R1_Chemical Names<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> BlRO@Z/՞P R1_Supplier Name<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> w(CAgR1_Supplier ID<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> wC#<-SAR1_MFCD<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> C XcuR1_Tier<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> `jfFow{v\R1_Status<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> bRƾDBB"R1_Catalog Number<Rule> <Rule> <Column></Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> </Rule> </Rule> 5ڄHܨ'UMBlogSb__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767 __BIOFOCUS__logS&Aqueous solubility Continuous model predicting aqueous solubility (log uM) based upon in vitro data b__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767@!<RulesList> <Rule> <Column>logS</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>2</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> ^ekV@I s52C9 pKi,__BIOFOCUS__2C9_pKi_RF&__BIOFOCUS__2C9_pKi4Cytochrome P450 CYP2C9 pKiContinuous model predicting 2C9 affinity (pKi) based upon in vitro data,__BIOFOCUS__2C9_pKi_RF,@@@4A@<RulesList> <Rule> <Column>2C9 pKi</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>1</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> j@ CB<00hERG pIC50n__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7,__BIOFOCUS__hERG_pIC50hERG pIC50zHuman Ether-a-Go-Go related gene potassium channel inhibitionn__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7@@"<RulesList> <Rule> <Column>hERG pIC50</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>5</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> jc7ARb,qݡ0BBB log([brain]:[blood])2__BIOFOCUS__BBB_cont_2012(__BIOFOCUS__BBB_cont>Blood-brain barrier penetrationContinuous model predicting log([brain]:[blood]) based on in vivo data.2__BIOFOCUS__BBB_cont_201233@? = <RulesList> <Rule> <Column>BBB log([brain]:[blood])</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList> Blood-brain barrier penetration<Two class category model based upon classified log([brain]:[blood]) in vivo data: class ' + ' indicates a ratio >= -0.5 class ' - ' indicates a ratio < -0.54__BIOFOCUS_BBB_category_RF~R<RulesList> <Rule> <Column>BBB category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Index="0" Name="-"/> <Category Index="1" Name="+"/> </Categories> </Rule> </RulesList> iei,LyvtHIA categoryr__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a0__BIOFOCUS__HIA_category8Human intestinal absorption Two class category model based upon human in vivo data: class ' + ' indicates absorption >= 30% class ' - ' indicates absorption < 30% r__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a!<RulesList> <Rule> <Column>HIA category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Index="0" Name="-"/> <Category Index="1" Name="+"/> </Categories> </Rule> </RulesList> TҺ}^F2_Ж-P-gp category8__BIOFOCUS__P$gp_category_RF2__BIOFOCUS__P-gp_category0P-glycoprotein substrateTwo class category model based upon in vitro data: class 'yes' indicates a substrate class 'no' indicates a non-substrate8__BIOFOCUS__P$gp_category_RFe<RulesList> <Rule> <Column>P-gp category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Index="0" Name="no"/> <Category Index="1" Name="yes"/> </Categories> </Rule> </RulesList> *@^*2D6 affinity category__BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064B__BIOFOCUS__2D6_affinity_category@Cytochrome P450 CYP2D6 affinity Four class category model based upon in vitro data: class 'low' indicates a pKi < 5 class 'medium' indicates a pKi in the range 5 - 6 class 'high' indicates a pKi in the range 6 - 7 class 'very high' indicates a pKi > 7 __BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064<RulesList> <Rule> <Column>2D6 affinity category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Index="0" Name="low"/> <Category Index="1" Name="medium"/> <Category Index="2" Name="high"/> <Category Index="3" Name="very high"/> </Categories> </Rule> </RulesList> BqiPPB90 categoryx__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ff6__BIOFOCUS__PPB_90Thresh_RFNPlasma protein binding (90% threshold) tTwo class category model based upon in vitro data: class 'low' indicates < 90% of compound bound to plasma protein class 'high' indicates >= 90% of compound bound to plasma protein x__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ffJ<RulesList> <Rule> <Column>PPB90 category</Column> <UserCreated>0</UserCreated> <UseDefault>1</UseDefault> <Categories> <Category Index="0" Name="low"/> <Category Index="1" Name="high"/> </Categories> </Rule> </RulesList> Kd}M@!AJlogPb__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb1 __BIOFOCUS__logP(logP(octanol/water) tContinuous model predicting logP based upon in vitro data b__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb11\ @<RulesList> <Rule> <Column>logP</Column> <UserCreated>0</UserCreated> <ValueType>0</ValueType> <Value></Value> <IncrementStart>1</IncrementStart> <IncrementChange>1</IncrementChange> <Temporary>0</Temporary> <Units>7</Units> <SDType>0</SDType> <SD>0</SD> <SDColumn></SDColumn> <RemoveColumn>0</RemoveColumn> <KeepOriginals>1</KeepOriginals> <UseValue>1</UseValue> <Precision>-1</Precision> <FloatingPointDisplay>Default</FloatingPointDisplay> </Rule> </RulesList>  㓵"8Kx ) 8RA͎|s C12H22N2iei,Lyvt?ݝ+?ɠ-?e 8Bqi?z?Q?z?z?z?z??z?zR?z??z?z?P?z?zR?z?z?z?z?z?zhigh?€low?85ڄHܨ'UMB5@5L!` L!-&`` -&`?]@ʠi@?d?v:@?tŸ@(lŸ@?t?=`?Ÿ@υŸ@Ÿ@Ÿ@?@?TҺ}^F2_Ж-?zz?z?z?z?z?z??R?P?P?Pz?Pzzzzz?Pyes?(no?׮8w(CAg1391#F.AõmYSecondary Amines:Fragment1_080I{jgH4e112440-4c19-48a3-8c35-b8079b8051485̫֔-pS D٨nJ7`?ô@?nX`?ǝ @lKn`?,@ZH?2 ?G? ?ȍ@? ?G?M`? ? zt`??? z? @L ?j/ KP>PS xhttps://www.emolecules.com/cgi-bin/find?id=114589253*@^?o?o?o?xU?o@@?o@@?o@@@@@@low?q high?UU` medium?q very high?q 8C Xcu4BlRO@Z/՞PIntermed - BB3HDeC|gj%UCc)1062ɤ߇GꚒ<USDҒtHs Z?4?K? 2C9 pKi?*2D6 affinity category? BBB category?a| 0BBB log([brain]:[blood])?=p6FlexX Score 2XJX XJX_A_1232?c@HIA category?k`P-gp category?@PPB90 category? hERG pIC50?ԆlogP?OLlogS?WwC#<-SANone`jfFow{v\ nonpreferredm IEۜ.MOE 114589253bRƾDBBIMED2683049917yNq+zhttps://www.emolecules.com/cgi-bin/more?vid=114589253c#r@G|C1jKJAod`CC(C)c1cc(c(cc1O)O)C(=O)N2CCC(CC2)N3CCC4(CC4)CC3/rO]+q|4_5"7]+ " bZ9¶ ]n)eau~%.vX>'(ABɓ 賃$Kl)0OSA$75ede35a-a2a9-43b9-b5d6-dce9914343bc59 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50391293 0.863990366 16.7616997 -5.12330008 6.952899930 -1.49871409 0.865394235 17.0580997 -4.6322999 5.542300220 -1.00000274-0.0014107874615.849 -4.68809986 4.617099760 -1.49629116 -0.86960446814.5618 -5.04460001 5.349699970 -2.50149012 -0.871007814.4909 -4.08699989 6.527400020-3.7673517e-06-1.45671975e-05 16.0771999 -5.60090017 3.486799960 0.505600452 0.871582985 17.0708008 -5.05429983 2.550800090 1.51120031 0.871578157 17.3101006 -6.02059984 1.401700020 2.01119614-2.4190078e-05 16.0168991 -6.34100008 0.6668000220 2.87959862 0.507871449 16.0767002 -6.77159977 -0.7710999850 2.88519359 -0.49822849 15.5298004 -5.41879988 -0.4149999920 1.51119196 -0.866021752 15.0816002 -6.95179987 1.698199990 0.505592048 -0.866016865 14.8157997 -5.9685998 2.82699990 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.5820999 -6.10690022 6.935699940' 17.5459003 -4.9380002 7.545100210( 17.3731003 -3.68470001 5.595799920) 17.7817001 -5.20249987 5.153299810* 15.7270002 -3.77169991 4.235899930+ 14.5918999 -5.9914999 5.669700150, 13.7715998 -4.9204998 4.74949980-14.5955 -3.14650011 6.20380020. 13.6090002 -4.18470001 6.988500120/ 17.9314003 -4.90180016 3.0367999100 16.7357006 -4.18580008 2.1856999401 17.9557991 -5.60830021 0.75900000302 17.6965008 -6.86850023 1.764700060315.4628 -7.48699999 -1.1045999504 16.9598999 -6.84779978 -1.2338000505 16.0489006 -4.59439993 -0.64050000906 14.5517998 -5.2336998 -0.51130002707 15.5010996 -7.77810001 2.0738999808 14.2157001 -7.18830013 1.2575000509 14.3858004 -5.14620018 2.454499960: 14.2039003 -6.39090014 3.49580002062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jg 0OSA$75ede35a-a2a9-43b9-b5d6-dce9914343bc59 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50391293 0.863990366 16.7616997 -5.12330008 6.952899930 -1.49871409 0.865394235 17.0580997 -4.6322999 5.542300220 -1.00000274-0.0014107874615.849 -4.68809986 4.617099760 -1.49629116 -0.86960446814.5618 -5.04460001 5.349699970 -2.50149012 -0.871007814.4909 -4.08699989 6.527400020-3.7673517e-06-1.45671975e-05 16.0771999 -5.60090017 3.486799960 0.505600452 0.871582985 17.0708008 -5.05429983 2.550800090 1.51120031 0.871578157 17.3101006 -6.02059984 1.401700020 2.01119614-2.4190078e-05 16.0168991 -6.34100008 0.6668000220 2.87959862 0.507871449 16.0767002 -6.77159977 -0.7710999850 2.88519359 -0.49822849 15.5298004 -5.41879988 -0.4149999920 1.51119196 -0.866021752 15.0816002 -6.95179987 1.698199990 0.505592048 -0.866016865 14.8157997 -5.9685998 2.82699990 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.5820999 -6.10690022 6.935699940' 17.5459003 -4.9380002 7.545100210( 17.3731003 -3.68470001 5.595799920) 17.7817001 -5.20249987 5.153299810* 15.7270002 -3.77169991 4.235899930+ 14.5918999 -5.9914999 5.669700150, 13.7715998 -4.9204998 4.74949980-14.5955 -3.14650011 6.20380020. 13.6090002 -4.18470001 6.988500120/ 17.9314003 -4.90180016 3.0367999100 16.7357006 -4.18580008 2.1856999401 17.9557991 -5.60830021 0.75900000302 17.6965008 -6.86850023 1.764700060315.4628 -7.48699999 -1.1045999504 16.9598999 -6.84779978 -1.2338000505 16.0489006 -4.59439993 -0.64050000906 14.5517998 -5.2336998 -0.51130002707 15.5010996 -7.77810001 2.0738999808 14.2157001 -7.18830013 1.2575000509 14.3858004 -5.14620018 2.454499960: 14.2039003 -6.39090014 3.49580002062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jghxc```d`0``F@ .L-, Dc (f` d% @yikSάf@@; Ey.2"@2H4e112440-4c19-48a3-8c35-b8079b805148 -OSA$51c4fef9-f598-460e-8aa6-cf8a1761291659 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50391293 0.863990366 16.7616997 -5.12330008 6.952899930 -1.49871409 0.865394235 17.0580997 -4.6322999 5.542300220 -1.00000274-0.0014107874615.849 -4.68809986 4.617099760 -1.49629116 -0.86960446814.5618 -5.04460001 5.349699970 -2.50149012 -0.871007814.4909 -4.08699989 6.527400020-3.7673517e-06-1.45671975e-05 16.0771999 -5.60090017 3.486799960 0.505600452 0.871582985 14.8142004 -6.20489979 3.032099960 1.51120031 0.871578157 15.0380001 -7.17649984 1.882599950 2.01119614-2.4190078e-05 15.7138996 -6.45620012 0.7286999820 2.87959862 0.507871449 14.8908005 -5.76160002 -0.3176999990 2.88519359 -0.49822849 15.6352997 -7.02059984 -0.6567999720 1.51119196 -0.866021752 17.0265999 -5.89499998 1.250100020 0.505592048 -0.866016865 16.7751007 -4.91750002 2.387200120 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.5820999 -6.10690022 6.935699940' 17.5459003 -4.9380002 7.545100210( 17.3731003 -3.68470001 5.595799920) 17.7817001 -5.20249987 5.153299810* 15.7270002 -3.77169991 4.235899930+ 14.5918999 -5.9914999 5.669700150, 13.7715998 -4.9204998 4.74949980-14.5955 -3.14650011 6.20380020. 13.6090002 -4.18470001 6.988500120/ 14.1985998 -5.47819996 2.7272999300 14.3966999 -6.697000033.79601 15.6198997 -7.92880011 2.1916000802 14.1575003 -7.5395999 1.5779999503 15.1934996 -4.88509989 -0.69199997204 13.8927002 -5.77129984 -0.2572000030515.1327 -7.86899996 -0.82309997106 16.4335003 -6.98269987 -1.2580000207 17.4995995 -5.42089987 0.50749999308 17.5965996 -6.64639997 1.5823999609 17.6490002 -4.56209993 2.718800070: 16.2115993 -4.16069984 2.0559001062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgixc```d`0`ΐ``` & @~e`iD30(nf@l`y4?p2\.7W,ʻt9@2H7f509994-ff84-4b2f-b0a6-b891244640c9 3OSA$e409ab6d-131d-4957-a6ea-3918773d8c3359 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50149012 -0.8710078 16.7695007 -5.12220001 6.974199770 -1.49629116 -0.869604468 16.8773003 -4.854199895.48350 -1.00000274-0.00141078746 15.6960001 -5.57270002 4.84359980 -1.49871409 0.865394235 14.3727999 -5.22720003 5.513800140 -2.50391293 0.863990366 14.4878998 -4.09719992 6.527200220-3.7673517e-06-1.45671975e-05 15.6440001 -5.31729984 3.396300080 0.505600452 0.871582985 14.2615995 -5.35410023 2.896600010 1.51120031 0.871578157 14.2255001 -5.06619978 1.404199960 2.01119614-2.4190078e-05 15.0908003 -6.04769993 0.6277999880 2.88519359 -0.49822849 14.7729998 -6.32609987 -0.813700020 2.87959862 0.507871449 14.5242996 -7.38049984 0.2266999930 1.51119196 -0.866021752 16.5020008 -5.89349985 1.172099950 0.505592048 -0.866016865 16.5405006 -6.21799994 2.656899930 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.6746006 -6.10389996 7.139200210' 17.5853004 -4.7828002 7.442500110( 16.8267994 -3.87210011 5.302100180)17.7388 -5.21519995 5.126599790* 15.8436003 -6.5539999 4.966599940+14.033 -6.04180002 5.983900070, 13.7207003 -4.95410013 4.806600090- 14.6884003 -3.23950005 6.053699970. 13.6281996 -4.00719976 7.030099870/ 13.7195997 -4.66499996 3.3775999500 13.8746996 -6.26049995 3.0660998801 13.2817001 -5.13880014 1.0815999502 14.5621004 -4.13829994 1.2437000303 15.5136995 -6.44169998 -1.4754999904 14.0017996 -5.86590004 -1.2534999805 13.5874996 -7.62220001 0.47960001206 15.0993996 -8.19799995 0.25749999307 16.8066998 -4.95109987 1.0335999708 17.1128006-6.5165 0.68349999209 16.2469997 -7.16379976 2.796200040: 17.4747009 -6.10559988 2.99559999062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgjxc```d`0``ʐ) @.% db)@$jLd NatԴj/ t's\(/^@2H35f5de1f-891e-4567-8d62-d2ac94dcdf32 2OSA$958ed037-d88f-478a-9368-e70e668736f359 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50149012 -0.8710078 16.7695007 -5.12220001 6.974199770 -1.49629116 -0.869604468 16.8773003 -4.854199895.48350 -1.00000274-0.00141078746 15.6960001 -5.57270002 4.84359980 -1.49871409 0.865394235 14.3727999 -5.22720003 5.513800140 -2.50391293 0.863990366 14.4878998 -4.09719992 6.527200220-3.7673517e-06-1.45671975e-05 15.6440001 -5.31729984 3.396300080 0.505600452 0.871582985 16.7525997 -5.99230003 2.70269990 1.51120031 0.871578157 16.6851997 -5.70200014 1.209400060 2.01119614-2.4190078e-05 15.3603001 -6.12080002 0.5695000290 2.87959862 0.507871449 15.1702003 -6.68489981 -0.8094000220 2.88519359 -0.49822849 14.8231001 -5.25169992 -0.5331000090 1.51119196 -0.866021752 14.4175997 -6.62639999 1.657600050 0.505592048 -0.866016865 14.3254004 -5.67129993 2.839299920 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.6746006 -6.10389996 7.139200210' 17.5853004 -4.7828002 7.442500110( 16.8267994 -3.87210011 5.302100180)17.7388 -5.21519995 5.126599790* 15.8436003 -6.5539999 4.966599940+14.033 -6.04180002 5.983900070, 13.7207003 -4.95410013 4.806600090- 14.6884003 -3.23950005 6.053699970. 13.6281996 -4.00719976 7.030099870/ 16.6851006 -6.97879982 2.8517999600 17.6226997 -5.65910006 3.0659999801 16.8073006-4.7191 1.0715999602 17.4267006 -6.19680023 0.75629997303 14.4441996 -7.3506999 -0.9811999804 15.9660997 -6.90670013 -1.3727999905 15.3878002 -4.51849985 -0.9118999840613.8659 -4.96260023 -0.52039998807 14.7508001 -7.51049995 1.9851000308 13.5051003 -6.73899984 1.2642999909 13.8712997 -4.83309984 2.537300110: 13.7814999 -6.10459995 3.55800009062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgjxc```d`0` F @C"2U%品,c3 M*A8!!d?N/rbQޥ_^@2Hb3352c17-58aa-4484-bacc-363cc4545adc (OSA$2f11328c-45a6-488a-8b24-474a684e1b6f59 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50391293 0.863990366 16.7695007 -5.12220001 6.974199770 -1.49871409 0.865394235 16.8773003 -4.854199895.48350 -1.00000274-0.00141078746 15.6960001 -5.57270002 4.84359980 -1.49629116 -0.869604468 14.3727999 -5.22720003 5.513800140 -2.50149012 -0.8710078 14.4878998 -4.09719992 6.527200220-3.7673517e-06-1.45671975e-05 15.6440001 -5.31729984 3.396300080 0.505600452 0.871582985 15.7487001 -6.57229996 2.634299990 1.51120031 0.871578157 15.7278996 -6.321599961.13360 2.01119614-2.4190078e-05 14.4519997 -5.58949995 0.7552000280 2.87959862 0.50787144913.2086 -6.35960007 0.4147000010 2.88519359 -0.49822849 13.9582996 -5.62480021 -0.6589000230 1.51119196 -0.866021752 14.4253998 -4.2881999 1.539800050 0.505592048 -0.866016865 14.4324999 -4.56589985 3.034699920 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.6746006 -6.10389996 7.139200210' 17.5853004 -4.7828002 7.442500110( 16.8267994 -3.87210011 5.302100180)17.7388 -5.21519995 5.126599790* 15.8436003 -6.5539999 4.966599940+14.033 -6.04180002 5.983900070, 13.7207003 -4.95410013 4.806600090- 14.6884003 -3.23950005 6.053699970. 13.6281996 -4.00719976 7.030099870/ 14.9785995 -7.16300011 2.875099900 16.6058998 -7.02740002 2.8752000301 16.5186996 -5.7652998 0.87840002802 15.7655001 -7.19610023 0.64990001903 12.3155003 -6.02750015 0.71810001104 13.2174997 -7.35930014 0.43650001305 14.4659004 -6.13539982 -1.3529000306 13.5640001 -4.80359983 -1.0712000107 13.5978003 -3.778800011.303908 15.2305002 -3.74449992 1.3026000309 14.4181004 -3.69930005 3.533400060:13.6243 -5.10300016 3.27640009062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgkxc```d`0`````$t"f @ b0u,"@ 1K$ +3!29`{CpM` \nXw/s@2H475905fc-4616-4de5-8107-49b7d375ba34 2OSA$4ed5cc74-ae9b-4daf-a82e-181c9130bb8859 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50149012 -0.8710078 16.8740997 -4.50540018 6.778399940 -1.49629116 -0.869604468 16.7075005 -5.47020006 5.61770010 -1.00000274-0.00141078746 15.8044004 -4.76230001 4.620900150 -1.49871409 0.865394235 14.5853996 -4.15360022 5.301799770 -2.50391293 0.863990366 14.3593998 -4.70559978 6.699399950-3.7673517e-06-1.45671975e-05 15.4236002 -5.65670013 3.51710010 0.505600452 0.871582985 14.0918999 -5.24090004 3.044800040 1.51120031 0.871578157 13.8641005 -5.7045002 1.612599970 2.01119614-2.4190078e-05 14.6590004 -6.96700001 1.318799970 2.87959862 0.507871449 14.0787001 -7.9843998 0.392899990 2.88519359 -0.49822849 14.2004995 -8.29230022 1.857800010 1.51119196 -0.866021752 16.1453991 -6.65630007 1.419399980 0.505592048 -0.866016865 16.4235001-5.5618 2.440099950 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 17.5702991 -4.84719992 7.409599780' 17.1457996 -3.60520005 6.438099860( 17.5944004 -5.67229986 5.202199940) 16.2838001 -6.32079983 5.929299830* 16.3306999 -4.00960016 4.225399970+ 13.7772999 -4.34880018 4.745900150, 14.7150002 -3.16409993 5.365499970- 13.5705996 -4.26079988 7.123600010. 14.2044001 -5.69280005 6.660399910/ 14.0263004 -4.24370003 3.0820000200 13.3928003 -5.64319992 3.6359000201 12.8908997 -5.8920002 1.480000020214.1531 -4.98199987 0.98460000803 14.6667995 -8.4527998 -0.2664999960413.177 -7.83409977 -0.012500000205 13.3810997 -8.34459972 2.4286000706 14.8709002 -8.96329975 2.1745998907 16.4750996 -6.35610008 0.52429997908 16.6322002 -7.48579979 1.6928999409 17.3404999 -5.68139982 2.82049990: 16.3596001 -4.66639996 1.99940002062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgjxc```d`0`````) @)PL*ː1%՛0ٖ@ui@dSʚ2  Н\_rsŢKxgP@2H961377da-3521-4377-b231-a64f195f3ca8 -OSA$37944b09-8870-4aaf-a303-208c669f480c59 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50391293 0.863990366 16.7695007 -5.12220001 6.974199770 -1.49871409 0.865394235 16.8773003 -4.854199895.48350 -1.00000274-0.00141078746 15.6960001 -5.57270002 4.84359980 -1.49629116 -0.869604468 14.3727999 -5.22720003 5.513800140 -2.50149012 -0.8710078 14.4878998 -4.09719992 6.527200220-3.7673517e-06-1.45671975e-05 15.6440001 -5.31729984 3.396300080 0.505592048 -0.866016865 15.0497999 -6.45219994 2.673300030 1.51119196 -0.866021752 15.0243998 -6.20319986 1.172799940 2.01119614-2.4190078e-05 16.3973007 -5.84980011 0.6169999840 2.87959862 0.507871449 16.4615993 -4.84590006 -0.4952000080 2.88519359 -0.49822849 16.7441998 -6.29349995 -0.7766000030 1.51120031 0.871578157 17.4459991 -5.81389999 1.716599940 0.505600452 0.871582985 16.9950008 -4.97870016 2.910399910 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.6746006 -6.10389996 7.139200210' 17.5853004 -4.7828002 7.442500110( 16.8267994 -3.87210011 5.302100180)17.7388 -5.21519995 5.126599790* 15.8436003 -6.5539999 4.966599940+14.033 -6.04180002 5.983900070, 13.7207003 -4.95410013 4.806600090- 14.6884003 -3.23950005 6.053699970. 13.6281996 -4.00719976 7.030099870/ 14.1133003 -6.58909988 2.9960999500 15.5894003 -7.27370024 2.8575000801 14.6967001 -7.03030014 0.7160000210214.3975 -5.44740009 0.98369997703 17.2045994 -4.17719984 -0.52249997904 15.6216002 -4.42500019 -0.83759999305 16.0923004 -6.83699989 -1.3055000306 17.6753006 -6.58920002-0.990307 18.2877998 -5.420300011.34708 17.6224003 -6.74870014 2.0248999609 17.6438999 -5.12080002 3.657900090:17.0014 -4.01550007 2.64199996062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgfxc```d`0``Đ ́8A7gHL,r1 ,H!PE"od@@; Ey.2 @2H04bc070e-8b7a-429c-8b8e-70205514a444 OSA$535b0a4a-fd82-426e-8787-e06f1a1a349b59 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50149012 -0.8710078 16.7695007 -5.12220001 6.974199770 -1.49629116 -0.869604468 16.8773003 -4.854199895.48350 -1.00000274-0.00141078746 15.6960001 -5.57270002 4.84359980 -1.49871409 0.865394235 14.3727999 -5.22720003 5.513800140 -2.50391293 0.863990366 14.4878998 -4.09719992 6.527200220-3.7673517e-06-1.45671975e-05 15.6440001 -5.31729984 3.396300080 0.505592048 -0.866016865 15.7543001 -6.6157999 2.709700110 1.51119196 -0.866021752 15.1675997-6.5302 1.307399990 2.01119614-2.4190078e-05 15.2814999 -5.11709976 0.7576000090 2.88519359 -0.49822849 15.5153999 -4.92999983-0.70510 2.87959862 0.507871449 16.6056004 -4.59829998 0.2730999890 1.51120031 0.871578157 14.4420996 -4.17910004 1.612900020 0.505600452 0.871582985 14.3779001 -4.64419985 3.060899970 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.6746006 -6.10389996 7.139200210' 17.5853004 -4.7828002 7.442500110( 16.8267994 -3.87210011 5.302100180)17.7388 -5.21519995 5.126599790* 15.8436003 -6.5539999 4.966599940+14.033 -6.04180002 5.983900070, 13.7207003 -4.95410013 4.806600090- 14.6884003 -3.23950005 6.053699970. 13.6281996 -4.00719976 7.030099870/ 15.2566004 -7.30770016 3.2328000100 16.7182999-6.8743 2.6477000701 15.6637001-7.1566 0.70609998702 14.2032003 -6.79250002 1.3393000403 15.0450001 -4.19689989 -1.1964000504 15.6057997 -5.7269001 -1.3023999905 17.4206009 -5.17490005 0.3294999906 16.8598995 -3.64490008 0.43560001307 13.5141001 -4.14529991 1.2418999708 14.8463001 -3.26489997 1.5836999409 14.2461004 -3.85610008 3.662100080:13.6166-5.2823 3.17600012062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgkxc```d`0``ʐ` @!9eMY2U%Y@9P, L\r@UX`.+]@2H45b00e1a-5187-40ca-92bc-097ab7a32f67 &OSA$180347af-0c2b-4cc2-828a-eecb03293b0b59 -7.51288939 0.85046672811.2921 -0.844500005 11.42500020 -7.01661682 1.71863341 11.5300999 -1.33060002 10.00459960 -7.52033472 2.58250165 12.3683004 -0.309100002 9.253299710 -6.01662588 1.72293186 12.2648001 -2.6610000110.04070 -5.51163912 0.859768271 13.5101004 -2.7565999 9.427700040 -4.51160812 0.859712958 14.1915998 -3.9690001 9.454099660 -4.01148796 1.73166966 13.6332998 -5.07490015 10.08759980 -4.51140022 2.60368085 12.3878002 -4.9717998510.69870 -5.5165062 2.59488797 11.6995001 -3.76220012 10.67609980 -6.02151823 3.45800018 10.4914999 -3.66230011 11.26879980 -3.0114882 1.73156619 14.2764997 -6.2614998810.12570 -4.01039982-0.00561363203 15.4884005 -4.05030012 8.809900280 -4.50919056 -0.872336149 16.5100002 -3.79979992 9.449299810 -3.01040101-0.00421768147 15.5781002 -4.41309977 7.462699890 -2.50149012 -0.8710078 16.7695007 -5.12220001 6.974199770 -1.49629116 -0.869604468 16.8773003 -4.854199895.48350 -1.00000274-0.00141078746 15.6960001 -5.57270002 4.84359980 -1.49871409 0.865394235 14.3727999 -5.22720003 5.513800140 -2.50391293 0.863990366 14.4878998 -4.09719992 6.527200220-3.7673517e-06-1.45671975e-05 15.6440001 -5.31729984 3.396300080 0.505600452 0.871582985 14.2378998 -5.36850023 2.964400050 1.51120031 0.871578157 14.1368999 -5.58500004 1.463299990 2.01119614-2.4190078e-0515.375 -5.04239988 0.7677999730 2.88519359 -0.49822849 15.5384998 -3.57340002 0.4963000120 2.87959862 0.507871449 15.1800003 -4.50810003 -0.6222000120 1.51119196 -0.866021752 16.5251999 -5.95009995 1.168200020 0.505592048 -0.866016865 16.4664993 -6.28319979 2.650500060 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970  11.8850002 0.565999985 9.229499820! 13.2463999 -0.192399994 9.717200280" 13.9112997 -1.96169996 8.972700120# 11.9870005 -5.76669979 11.15429970$ -6.77150536 3.45365262 9.66090012 -3.85649991 10.74699970% -2.63642097 2.38104653 14.1363001 -6.8817000410.89750& 16.6746006 -6.10389996 7.139200210' 17.5853004 -4.7828002 7.442500110( 16.8267994 -3.87210011 5.302100180)17.7388 -5.21519995 5.126599790* 15.8436003 -6.5539999 4.966599940+14.033 -6.04180002 5.983900070, 13.7207003 -4.95410013 4.806600090- 14.6884003 -3.23950005 6.053699970. 13.6281996 -4.00719976 7.030099870/13.7914 -4.50559998 3.2012000100 13.7784004 -6.12160015 3.435199980114.0555 -6.56389999 1.2757999902 13.3283005 -5.11059999 1.1152000403 16.4472008 -3.15709996 0.52819997104 14.8615999 -2.92289996 0.84069997105 14.2643003 -4.47989988-1.02306 15.8499002 -4.71420002-1.335507 17.3899994 -5.48829985 0.97100001608 16.4719009 -6.79759979 0.64020001909 16.0739002 -7.19619989 2.761600020: 17.3950005 -6.27220011 3.02160001062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgnxc```d`0`ʐ```Ȑ`ƐƠːd'ٺ &@ڒȲ`0L,C# LM@ڈɑ';|`@@; Ey.2!@2H5e781a6f-d1b6-4b90-8395-122e554ba527 5OSA$338deb39-2ddc-4d49-8c0e-315519525eae59 -7.51288939 0.850466728 11.3599005 -0.712000012 11.44340040 -7.01661682 1.71863341 11.6303997 -1.17149997 10.01990030 -7.52033472 2.58250165 12.4806004 -0.133699998 9.305500030 -6.01662588 1.72293186 12.3692999 -2.49979997 10.04790020 -5.51163912 0.85976827113.6278 -2.57999992 9.460399630 -4.51160812 0.85971295814.3132 -3.79029989 9.479599950 -4.01148796 1.73166966 13.7456999 -4.90939999 10.08080010 -4.51140022 2.60368085 12.4869003 -4.8217001 10.66660020 -5.5165062 2.59488797 11.7945995 -3.6143000110.6510 -6.02151823 3.4580001810.5737 -3.52920008 11.21920010 -3.0114882 1.73156619 14.3924999 -6.09420013 10.11139970 -4.01039982-0.00561363203 15.6239004 -3.85540009 8.862199780 -4.50919056 -0.87233614916.6306 -3.61299992 9.527899740 -3.01040101-0.00421768147 15.7440996 -4.19339991 7.510900020 -2.50149012 -0.8710078 16.9482994 -4.88940001 7.035600190 -1.49629116 -0.869604468 17.0872002-4.5941 5.552599910 -1.00000274-0.00141078746 15.9228001 -5.30499983 4.87449980 -1.49871409 0.865394235 14.5840998 -4.97629976 5.521999840 -2.50391293 0.863990366 14.6730003 -3.86439991 6.557899950-3.7673517e-06-1.45671975e-0515.901 -5.0236001 3.431200030 0.505592048 -0.866016865 16.4820995 -6.12370014 2.640500070 1.51119196 -0.866021752 15.4155998 -7.13670015 2.259299990 2.01119614-2.4190078e-05 14.4440002 -6.5314002 1.262300010 2.88519359 -0.49822849 13.2554998 -7.30089998 0.7613999840 2.87959862 0.507871449 14.4503002 -7.11000013 -0.1289000060 1.51120031 0.871578157 14.3613997 -5.03259993 1.517799970 0.505600452 0.871582985 14.5172997 -4.77129984 3.006999970 12.2273998 -0.600700021 11.92819980 10.8739004 0.161699995 11.42500020 10.8006001 -1.39479995 11.91339970 10.7629004 -1.28269994 9.535099980 12.6584997 -0.435900003 8.369000430  11.9946003 0.740100026 9.28699970! 13.3480997 -0.0223999992 9.790300370" 14.0355997 -1.77550006 9.02849960# 12.0795002 -5.6261000611.0990$ -6.77150536 3.45365262 9.75529957 -3.71679997 10.67599960% -2.63642097 2.38104653 14.2379999 -6.72879982 10.86859990& 16.8537006-5.8743 7.180699830' 17.7525997 -4.55579996 7.527400020( 17.0368996 -3.6091001 5.387899880) 17.9575996 -4.94570017 5.207900050* 16.0715008 -6.28789997 4.982900140+ 14.2374001 -5.80039978 5.969900130, 13.9462996 -4.69259977 4.80590010- 14.8803997 -2.99760008 6.104400160. 13.8023996 -3.78649998 7.043700220/ 17.1882992 -6.57940006 3.1823999900 16.8906994 -5.74889994 1.8083000201 15.8527002 -7.93709993 1.8490999902 14.9158001 -7.41379976 3.0799000303 12.4005003 -6.82350016 0.55900001504 13.0516005 -8.20510006 1.1367000305 15.0422001 -7.88649988 -0.34509998606 14.3910999 -6.50479984 -0.92269998807 13.4745998 -4.68889999 1.2086999408 15.0918999 -4.56720018 1.0180000109 14.2821999 -3.81879997 3.200400110:13.9024 -5.37580013 3.51340008062          !" #!$"%#& $' %(&)'*(+),*-+.,/-0.1/2031425364758697:8;9<:=2080I{jgmxc```d`0Ɛ`Đ` dٺ @% e`Ɛd%I#S ,k du$D &߽d΀,@wr}A0.]eL@2Hfc2b3fec-9394-4d6a-ba25-339351fa5a83H4e112440-4c19-48a3-8c35-b8079b805148Kd}M@!AJ?m2 ?q7?m2 ?E?ǜ?E??ǜ?۠sˊV ?<?͝?3 ??6?3 ܨN ?& ???N @D?حݠ0Cbc@.o96-(piperidin-4-yl)-6-azaspiro[2.5]octane, IMED2683049917nK-RY 8RA͎|s C7H9N3O2iei,LyvtWWy@WW}'WWWW+?q-?@8Bqi?녀?R?녀? ?@? ?(??(?z?z =zz?z?(?(?(?R? =Q?zzhigh?`low?p85ڄHܨ'UMBĕw> ĕwS\#S\D`#D`?% ?#d ??gr? w@D`D`D`T؀&@?%@S4?B@@ո@?TҺ}^F2_Ж-????z?z?z?z?z?R?R?RR?R?R?z??z?z?z?z?R?z?R?Ryes?Gno?\ 8w(CAg2011#F.AõmYSecondary Amines:Fragment1_080I{jgHb65e38d0-23bf-4adb-a615-45346c6a7f70;U`0-pS D٨nJ7 2$j@ CB<00?- ?v@?- ?]d??3`?~??G-Խ?yJ ? ?=@?P?`?p`?9`^?+ ?`>?x@ӄ?`j/ KP>PS xhttps://www.emolecules.com/cgi-bin/find?id=114395834*@^n| n| n| n| n| low? !`high?B` medium?@very high?B`8C Xcu4BlRO@Z/՞P Chemspace BB3HDeC|gj%UCc)551ɤ߇GꚒ<USDҒtHs Z?€?? 2C9 pKi?龜`*2D6 affinity category?*KBBB category?0BBB log([brain]:[blood])?=p6FlexX Score 2XJX XJX_A_1232?HIA category?հZP-gp category?PPB90 category?ThERG pIC50?(logP?( logS?wC#<-SANone`jfFow{v\ preferredm IEۜ.MOE 114395834bRƾDBB CSC020792064yNq+zhttps://www.emolecules.com/cgi-bin/more?vid=114395834c#r@G|C1jKJAoddCC(C)c1cc(c(cc1O)O)C(=O)N2CCc3c(c([nH]c(=O)n3)O)C2;_ukupuL}mw]={ןӿ;y?ﻵWV~ܾۗn&2G}s|gΝßV~tOϥOOSA$1924f399-c3ba-4551-8c7a-2bb08a881b4444 -6.77291584 0.078049249911.6917 -0.423999995 11.17580030 -6.72397995 1.07685113 11.9548998 -0.948599994 9.773699760 -7.56449986 1.61863172 12.9174995 -0.0163000003 9.05640030 -5.83452463 1.53387249 12.5643997 -2.33870006 9.858900070 -4.99319315 0.993295074 13.8247995 -2.55340004 9.310299870 -4.10172844 1.44645369 14.3923998 -3.82130003 9.381999970 -4.0510807 2.45037746 13.7063999 -4.86429977 9.996500020 -4.89189863 3.00114179 12.4464998 -4.64209986 10.54319950 -5.7838769 2.53779578 11.8717003 -3.3763001 10.47500040 -6.62520838 3.07831621 10.6497002 -3.16079998 11.00510030 -3.15962195 2.90347934 14.2377005 -6.10290003 10.07779980 -3.26278424 0.902235806 15.7068005 -4.02680016 8.80469990 -2.37200594 1.3566736 16.6382999 -4.4060998 9.514399530 -3.31461883 -0.096419818715.9164 -3.79369998 7.439599990 -2.46931314 -0.641296029 14.8669996 -3.34940004 6.52379990 -2.52112293 -1.6404812314.4691 -4.59229994 5.739900110 -3.41045356 -2.1013546 15.7051001 -5.11959982 5.028200150 -4.25505495 -1.55538547 17.0014992 -4.83589983 5.53749990 -5.14980745 -2.00824237 18.1065006 -5.34299994 4.904200080 -5.1983695 -3.01475573 17.9295006 -6.10419989 3.779099940 -4.35376835 -3.56072521 16.6751003 -6.35620022 3.287400010 -4.40259647 -4.55953264 16.5408001 -7.03590012 2.285399910 -3.46068859 -3.10012698 15.5781002 -5.84619999 3.930599930 -5.98887157 -1.46421003 19.3668003 -5.11740017 5.338500020 -4.21165037 -0.550782561 17.2082996 -3.9749999 6.773399830 12.5528002 -0.379900008 11.6823997011.2907 0.490399987 11.1197996011.0583 -1.03729999 11.64780040 11.0937996 -0.992600024 9.267200470 13.0907001 -0.361400008 8.133899690 12.5165997 0.898100019 9.000300410 13.7785997 0.0276999995 9.562899590  14.3177004 -1.80369997 8.868800160! 11.9540005 -5.39179993 10.98509980" -7.29178572 2.73455071 9.86069965 -3.67440009 10.66790010# -3.11962295 3.65241194 14.0043001 -6.69759989 10.84710030$ 15.2152004 -2.64280009 5.90780020%14.085 -2.99119997 7.033800130& 14.1154003 -5.2881999 6.364900110' 13.7656002 -4.3586998 5.068600180( -5.86555719 -3.35733557 18.7276001 -6.48180008 3.309400080) -5.95016146 -0.715209723 19.6881008 -5.54390001 6.183899880* 17.8474007 -4.42719984 7.395599840+ 17.5769997-3.0848 6.50589991046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jg OOSA$1924f399-c3ba-4551-8c7a-2bb08a881b4444 -6.77291584 0.078049249911.6917 -0.423999995 11.17580030 -6.72397995 1.07685113 11.9548998 -0.948599994 9.773699760 -7.56449986 1.61863172 12.9174995 -0.0163000003 9.05640030 -5.83452463 1.53387249 12.5643997 -2.33870006 9.858900070 -4.99319315 0.993295074 13.8247995 -2.55340004 9.310299870 -4.10172844 1.44645369 14.3923998 -3.82130003 9.381999970 -4.0510807 2.45037746 13.7063999 -4.86429977 9.996500020 -4.89189863 3.00114179 12.4464998 -4.64209986 10.54319950 -5.7838769 2.53779578 11.8717003 -3.3763001 10.47500040 -6.62520838 3.07831621 10.6497002 -3.16079998 11.00510030 -3.15962195 2.90347934 14.2377005 -6.10290003 10.07779980 -3.26278424 0.902235806 15.7068005 -4.02680016 8.80469990 -2.37200594 1.3566736 16.6382999 -4.4060998 9.514399530 -3.31461883 -0.096419818715.9164 -3.79369998 7.439599990 -2.46931314 -0.641296029 14.8669996 -3.34940004 6.52379990 -2.52112293 -1.6404812314.4691 -4.59229994 5.739900110 -3.41045356 -2.1013546 15.7051001 -5.11959982 5.028200150 -4.25505495 -1.55538547 17.0014992 -4.83589983 5.53749990 -5.14980745 -2.00824237 18.1065006 -5.34299994 4.904200080 -5.1983695 -3.01475573 17.9295006 -6.10419989 3.779099940 -4.35376835 -3.56072521 16.6751003 -6.35620022 3.287400010 -4.40259647 -4.55953264 16.5408001 -7.03590012 2.285399910 -3.46068859 -3.10012698 15.5781002 -5.84619999 3.930599930 -5.98887157 -1.46421003 19.3668003 -5.11740017 5.338500020 -4.21165037 -0.550782561 17.2082996 -3.9749999 6.773399830 12.5528002 -0.379900008 11.6823997011.2907 0.490399987 11.1197996011.0583 -1.03729999 11.64780040 11.0937996 -0.992600024 9.267200470 13.0907001 -0.361400008 8.133899690 12.5165997 0.898100019 9.000300410 13.7785997 0.0276999995 9.562899590  14.3177004 -1.80369997 8.868800160! 11.9540005 -5.39179993 10.98509980" -7.29178572 2.73455071 9.86069965 -3.67440009 10.66790010# -3.11962295 3.65241194 14.0043001 -6.69759989 10.84710030$ 15.2152004 -2.64280009 5.90780020%14.085 -2.99119997 7.033800130& 14.1154003 -5.2881999 6.364900110' 13.7656002 -4.3586998 5.068600180( -5.86555719 -3.35733557 18.7276001 -6.48180008 3.309400080) -5.95016146 -0.715209723 19.6881008 -5.54390001 6.183899880* 17.8474007 -4.42719984 7.395599840+ 17.5769997-3.0848 6.50589991046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgnxc```d`0``ʐ````d'1Y& @$ +$f 78ҜГ ?N/rbQޥ_E@2Hb65e38d0-23bf-4adb-a615-45346c6a7f70 POSA$2c472d3e-323f-4ecd-bc2e-bad00812888c44 -6.77291584 0.0780492499 11.6143999 -0.870700002 11.17889980 -6.72397995 1.07685113 11.8390999-1.4109 9.776000020 -7.56449986 1.61863172 12.6876001 -0.428799987 8.984800340 -5.83452463 1.53387249 12.5558004 -2.74920011 9.857099530 -4.99319315 0.993295074 13.7966995 -2.88400006 9.242699620 -4.10172844 1.44645369 14.4617004 -4.10389996 9.310000420 -4.0510807 2.45037746 13.8914003 -5.17840004 9.98540020 -4.89189863 3.0011417912.6503 -5.0362000510.59760 -5.7838769 2.53779578 11.9785004 -3.81879997 10.53419970 -6.62520838 3.07831621 10.7747002 -3.6809001 11.12800030 -3.15962195 2.90347934 14.5185003 -6.37169981 10.06359960 -3.26278424 0.90223580615.7542 -4.22629976 8.66370010 -2.37200594 1.3566736 16.7821999 -3.96709991 9.28940010 -3.31461883 -0.0964198187 15.8327999 -4.63899994 7.329100130 -2.46931314 -0.641296029 14.7384996 -4.32569981 6.396599770 -2.52112293 -1.64048123 14.6993999 -5.23339987 5.17829990 -3.41045356 -2.1013546 16.0835991 -5.16559982 4.555500030 -4.25505495 -1.55538547 17.2282009 -5.21150017 5.393000130 -5.14980745 -2.00824237 18.4701004 -5.10020018 4.821800230 -5.1983695 -3.01475573 18.5613995 -4.95629978 3.462199930 -4.35376835 -3.56072521 17.4344997 -4.93310022 2.682100060 -4.40259647 -4.55953264 17.5718002 -4.78770018 1.478899960 -3.46068859 -3.10012698 16.1893997 -5.05849981 3.245199920 -5.98887157 -1.46421003 19.6084003 -5.12849998 5.548999790 -4.21165037 -0.550782561 17.0233002 -5.37960005 6.889800070 12.4961996 -0.749499977 11.63459970 11.1429996 0.00960000046 11.12549970 11.0560999 -1.51670003 11.69939990 10.9573002 -1.53209996 9.32030010 12.8354998 -0.7843000298.06180 12.2161999 0.451400012 8.93140030 13.5693998 -0.307700008 9.440500260  14.2066002 -2.11159992 8.757599830! 12.2407999 -5.80849981 11.08320050" -7.29178572 2.73455071 9.93910027 -3.8822999 10.61690040# -3.11962295 3.65241194 14.3733997 -6.96159983 10.85789970$ 14.8492002 -3.38210011 6.084599970% 13.8709002 -4.41540003 6.885700230& 14.4877996-6.1717 5.451600070' 14.0107002 -4.91209984 4.528399940( -5.86555719 -3.35733557 19.4606991 -4.8671999 3.033999920) -5.95016146 -0.715209723 19.5895004 -5.45230007 6.494900230* 16.9036999 -6.3499999 7.099299910+ 17.8257999 -5.03049994 7.37370014046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgmxc```d`0``Ȑ``Ƞ d00Y 2,Ȑ V``aOcH0LXܟ񲠰X`.+]-q@2Hf0c8ad31-8d47-47d1-aec8-6202dfb44056 EOSA$f50aaad5-2ccc-4db2-956e-3634123d570744 -6.77291584 0.0780492499 11.4215002 -0.493800014 10.72869970 -6.72397995 1.07685113 11.7722998 -1.14760005 9.402099610 -7.56449986 1.61863172 12.6129999-0.191 8.572400090 -5.83452463 1.53387249 12.5595999 -2.42269993 9.658100130 -4.99319315 0.993295074 13.8451004 -2.53340006 9.137700080 -4.10172844 1.44645369 14.5748997 -3.6954999 9.365200040 -4.0510807 2.4503774614.0246 -4.73670006 10.10610010 -4.89189863 3.00114179 12.7385998 -4.6188998210.62360 -5.7838769 2.53779578 12.0018997 -3.45939994 10.39980030 -6.62520838 3.07831621 10.7545996 -3.3452000610.90170 -3.15962195 2.90347934 14.7143002 -5.8737998 10.33950040 -3.26278424 0.902235806 15.9132004 -3.79340005 8.815099720 -2.37200594 1.3566736 16.8764992 -3.95440006 9.564499860 -3.31461883 -0.0964198187 16.1096001 -3.70469999 7.432600020 -2.46931314 -0.641296029 15.2449999 -2.93490005 6.539899830 -2.52112293 -1.64048123 14.3678999 -3.96760011 5.845499990 -3.41045356 -2.1013546 15.2747002 -4.94269991 5.111400130 -4.25505495 -1.55538547 16.6126995 -5.14429998 5.546800140 -5.14980745 -2.00824237 17.4104004 -6.04909992 4.895400050 -5.1983695 -3.01475573 16.8955002 -6.72980022 3.823899980 -4.35376835 -3.56072521 15.6091003 -6.51380014 3.402499910 -4.40259647 -4.55953264 15.1714001 -7.13030005 2.447299960 -3.46068859 -3.10012698 14.8205996 -5.608900074.06320 -5.98887157 -1.4642100318.6889 -6.29379988 5.260900020 -4.21165037 -0.550782561 17.1989994 -4.37830019 6.721899990 12.2616997 -0.27300000211.2240 10.9035997 0.344900012 10.56029990 10.8683996 -1.1232000611.27460 10.9321003 -1.36839998 8.906800270 12.8437996 -0.621100008 7.699600220 12.0951004 0.647800028 8.404000280 13.4532003 0.0297999997 9.067700390  14.2405996 -1.78480005 8.605500220! 12.3435001 -5.36730003 11.15629960" -7.29178572 2.73455071 10.0457001 -3.99720001 10.63249970# -3.11962295 3.65241194 14.2992001 -6.60949993 10.87469960$ 15.7912998 -2.43169999 5.870299820%14.684 -2.292900097.06250& 13.8210001 -4.45839977 6.52360010' 13.7609997 -3.51300001 5.193500040( -5.86555719 -3.35733557 17.4666004 -7.39419985 3.342000010) -5.95016146 -0.715209723 19.0198002 -5.99189997 6.154900070* 17.6623993 -5.01319981 7.340099810+ 17.8537998 -3.69989991 6.38870001046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgoxc```d`0``̐`  F@2 2aHY@1#$ ˔Lj! H'MHa09`z` \nXw/s@2Hd03c4498-28c6-4e94-a82b-570532f5add4 [OSA$4a3f6e1d-5676-46e6-9e95-19b79bc9cc4044 -6.77291584 0.0780492499 11.2271996 -0.849799991 11.47099970 -6.72397995 1.0768511311.3722 -1.37849998 10.05329990 -7.56449986 1.61863172 12.0895996 -0.346500009 9.198599820 -5.83452463 1.53387249 12.1772003 -2.66799998 10.07330040 -4.99319315 0.993295074 13.3706999 -2.7249999 9.360600470 -4.10172844 1.44645369 14.1155996 -3.89969993 9.371199610 -4.0510807 2.45037746 13.6715002 -5.00649977 10.08790020 -4.89189863 3.00114179 12.4771004 -4.94220018 10.79850010 -5.7838769 2.53779578 11.7258997 -3.77049994 10.79220010 -6.62520838 3.07831621 10.5675001 -3.70810008 11.48139950 -3.15962195 2.90347934 14.3779001 -6.15700006 10.11250020 -3.26278424 0.902235806 15.3570004 -3.94090009 8.62259960 -2.37200594 1.3566736 16.4188995 -4.1651001 9.203499790 -3.31461883 -0.0964198187 15.3477001 -3.72589993 7.239999770 -2.46931314 -0.641296029 16.6210995 -3.7730999 6.498700140 -2.52112293 -1.64048123 16.5300999 -4.66340017 5.262199880 -3.41045356 -2.1013546 15.2002001 -4.6111002 4.506800170 -4.25505495 -1.55538547 14.0370998 -4.06899977 5.127099990 -5.14980745 -2.00824237 12.8464003 -4.11600018 4.443200110 -5.1983695 -3.01475573 12.7960997 -4.64669991 3.180500030 -4.35376835 -3.56072521 13.9294004 -5.12709999 2.575400110 -4.40259647 -4.55953264 13.8726997 -5.58160019 1.439900040 -3.46068859 -3.10012698 15.1063004 -5.08319998 3.275099990 -5.98887157 -1.46421003 11.6927004 -3.65050006 4.972599980 -4.21165037 -0.550782561 14.0897999 -3.45510006 6.517899990 12.1332998 -0.67110002 11.85449980 10.6976004-0.0015999999611.45790 10.7551003 -1.52869999 12.03330040 10.4660997 -1.55710006 9.669899940 12.1850996 -0.694299996 8.265899660 11.5600996 0.501699984 9.18550014012.9958 -0.167799994 9.582099910  13.6899004 -1.92929995 8.84580040! 12.1583996 -5.73769999 11.31369970" -7.29178572 2.73455071 9.70810032 -3.96399999 11.03890040# -3.11962295 3.65241194 14.3353004 -6.75269985 10.91450020$ 17.3332005 -4.13110018 7.10260010% 16.8623009 -2.84590006 6.211900230& 17.2541008 -4.38719988 4.630199910' 16.6826992 -5.60839987 5.551499840( -5.86555719 -3.35733557 11.9228001 -4.684000022.69470) -5.95016146 -0.715209723 11.7151003 -3.06089997 5.780000210* 13.9835997 -2.46469998 6.429800030+ 13.3318005 -3.82520008 7.05499983046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jglxc```d`0`ʐ,LtR,# Y咀*Ab&@YC /(j֛Đrbۋ3  Н\_rsŢKxP:@2Ha5dba684-7cfe-4224-98b5-44f1be96dbbd OOSA$b2b878b1-328c-46ec-8052-015f75ca073044 -6.77291584 0.0780492499 11.7439003 -0.727100015 10.94550040 -6.72397995 1.07685113 11.9779997-1.3527 9.580100060 -7.56449986 1.61863172 12.8885002 -0.453399986 8.760100360 -5.83452463 1.53387249 12.6317997 -2.71440005 9.752099990 -4.99319315 0.99329507413.8799 -2.93659997 9.179100040 -4.10172844 1.44645369 14.4877005 -4.17869997 9.32950020 -4.0510807 2.45037746 13.8536997 -5.1887002 10.04629990 -4.89189863 3.00114179 12.6056995 -4.95930004 10.61680030 -5.7838769 2.5377957811.9909 -3.7191999 10.47019960 -6.62520838 3.07831621 10.7805004 -3.49670005 11.02350040 -3.15962195 2.90347934 14.4245996 -6.40189981 10.20520020 -3.26278424 0.902235806 15.7887001 -4.39239979 8.725299840 -2.37200594 1.3566736 16.8118992 -4.14410019 9.363200190 -3.31461883 -0.0964198187 15.8809996 -4.88079977 7.417300220 -2.46931314 -0.641296029 14.6428003 -5.17080021 6.671500210 -2.52112293 -1.64048123 14.6554003 -4.54729986 5.278299810 -3.41045356 -2.1013546 16.0074005 -4.55900002 4.561399940 -4.25505495 -1.55538547 17.2105007 -4.78879976 5.290400030 -5.14980745 -2.00824237 18.4081001 -4.7098999 4.621799950 -5.1983695 -3.01475573 18.4318008 -4.4460001 3.277100090 -4.35376835 -3.56072521 17.2663002 -4.26840019 2.575999980 -4.40259647 -4.55953264 17.3022003 -4.05130005 1.371500020 -3.46068859 -3.10012698 16.0813007 -4.33909988 3.259500030 -5.98887157 -1.46421003 19.5944996 -4.88560009 5.245800020 -4.21165037 -0.550782561 17.1910992 -5.10760021 6.777699950 12.6190004 -0.619400024 11.41730020 11.3137999 0.168599993 10.83240030 11.1448002 -1.31869996 11.48499970 11.1028996 -1.46029997 9.108300210 13.0424995 -0.86500001 7.861800190 12.4584999 0.442299992 8.647000310 13.7636003 -0.345800012 9.231900220  14.3355999-2.2105 8.664099690! 12.1505003 -5.68529987 11.13220020" -7.29178572 2.73455071 9.94929981 -3.68939996 10.50199990# -3.11962295 3.65241194 14.2340002 -6.9405999211.0260$ 13.8649998 -4.80439997 7.182099820% 14.5451002 -6.16179991 6.580800060& 14.0019999 -5.04850006 4.710999970' 14.3608999 -3.59559989 5.364399910( -5.86555719 -3.35733557 19.3092003 -4.38210011 2.801500080) -5.95016146 -0.715209723 19.6198006 -5.07999992 6.22639990* 17.4384003 -6.0690999 6.897500040+17.8687 -4.53000021 7.2329998046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgnxc```d`0````) I@.eĐ`dE,, 4X e 7a0f0L*́r FXgoe@@; Ey.2@2H49200db4-02e6-4ba8-8fed-9043795278c2 GOSA$5469cea2-02c9-471f-bd46-58ec79e9095b44 -6.77291584 0.0780492499 11.6542997 -0.145600006 11.73400020 -6.72397995 1.07685113 11.7853003 -0.492900014 10.26010040 -7.56449986 1.61863172 12.7371998 0.485500008 9.591500280 -5.83452463 1.53387249 12.3290005 -1.9055999510.11870 -4.99319315 0.993295074 13.5324001 -2.09739995 9.447500230 -4.10172844 1.44645369 14.0395002 -3.38549995 9.311699870 -4.0510807 2.45037746 13.3499002 -4.47130013 9.842200280 -4.89189863 3.00114179 12.1471996 -4.27199984 10.51239970 -5.7838769 2.53779578 11.6330996 -2.98609996 10.65200040 -6.62520838 3.07831621 10.4666004 -2.7927999511.3020 -3.15962195 2.9034793413.823 -5.73029995 9.722499850 -3.26278424 0.902235806 15.2951002 -3.56649995 8.608900070 -2.37200594 1.3566736 16.3581009 -3.53130007 9.228799820 -3.31461883 -0.0964198187 15.2983999 -3.78110003 7.22620010 -2.46931314 -0.641296029 16.3637009 -4.58739996 6.609499930 -2.52112293 -1.64048123 16.5440006 -4.32200003 5.124000070 -3.41045356 -2.1013546 15.1761999 -4.51280022 4.49079990 -4.25505495 -1.55538547 14.0291004 -3.98149991 5.135300160 -5.14980745 -2.00824237 12.7955999 -4.20319986 4.57810020 -5.1983695 -3.01475573 12.7159004 -4.92320013 3.41510010 -4.35376835 -3.56072521 13.8472004 -5.40719986 2.810800080 -4.40259647 -4.55953264 13.7182999 -6.0545001 1.785099980 -3.46068859 -3.10012698 15.0858002 -5.17679977 3.354799990 -5.98887157 -1.46421003 11.6548004 -3.73699999 5.131899830 -4.21165037 -0.550782561 14.2215996 -3.19109988 6.41940022012.552 -0.202500001 12.17090030 11.2966995 0.783699989 11.8269997011.0281 -0.789300025 12.17380050 10.8875999 -0.43599999 9.823100090 12.8233004 0.256999999 8.621800420 12.3795996 1.41480005 9.684499740 13.6349001 0.428600013 10.02849960  14.0279999-1.3168 9.066399570! 11.6520996 -5.05249977 10.89400010" -7.29178572 2.73455071 9.62979984 -3.2258999310.9670# -3.11962295 3.65241194 13.6183004 -6.41039991 10.42650030$ 16.1403999 -5.55420017 6.733200070% 17.2248993 -4.38199997 7.074299810& 16.8675995 -3.38750005 4.975500110' 17.2000999 -4.96789984.73350( -5.86555719 -3.35733557 11.8219995 -5.09779978 3.002199890) -5.95016146 -0.715209723 11.3092003 -2.83330011 4.878900050* 14.4591999 -2.24659991 6.192699910+ 13.3710003 -3.20379996 6.94509983046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgixc```d`0``f F@ SR.  Teɐ dsj f@CWN~f@@; Ey.2=%@2Hb8a1a622-6ed6-406e-b9c9-4c7a87876c0b QOSA$ed80797c-76b8-4303-ad90-8956925eef1c44 -6.77291584 0.0780492499 11.1134005 -1.10500002 11.31659980 -6.72397995 1.07685113 11.4601002 -1.63750005 9.93579960 -7.56449986 1.61863172 12.1760998 -0.557500005 9.14130020 -5.83452463 1.53387249 12.3663998 -2.85039997 10.07320020 -4.99319315 0.993295074 13.6321001 -2.81089997 9.496999740 -4.10172844 1.44645369 14.4700003 -3.91479993 9.616000180 -4.0510807 2.45037746 14.0465002 -5.0471000710.30480 -4.89189863 3.00114179 12.7796001 -5.07929993 10.87880040 -5.7838769 2.53779578 11.9351997 -3.97880006 10.76350020 -6.62520838 3.07831621 10.7063999 -4.0100998911.32020 -3.15962195 2.90347934 14.8425999 -6.13009977 10.43299960 -3.26278424 0.90223580615.7858 -3.85599995 9.008899690 -2.37200594 1.3566736 16.7919998 -3.9776001 9.707500460 -3.31461883 -0.096419818715.9115 -3.66090012 7.629000190 -2.46931314 -0.641296029 14.9439001 -2.91610003 6.825300220 -2.52112293 -1.64048123 14.1301003 -3.97659993 6.096600060 -3.41045356 -2.1013546 15.0847998 -4.81659985 5.263000010 -4.25505495 -1.55538547 16.4533997 -4.92449999 5.631100180 -5.14980745 -2.00824237 17.2971001 -5.70979977 4.888999940 -5.1983695 -3.01475573 16.7959995 -6.36350012 3.794399980 -4.35376835 -3.5607252115.4782 -6.23750019 3.438999890 -4.40259647 -4.55953264 15.0536003 -6.82800007 2.461600070 -3.46068859 -3.10012698 14.6441002 -5.45190001 4.190100190 -5.98887157 -1.46421003 18.6070995 -5.86140013 5.186900140 -4.21165037 -0.550782561 17.0226994 -4.1862998 6.832200050 11.9524002 -0.841899991 11.79269980 10.5172005 -0.30730000111.22610 10.6423998 -1.81560004 11.83930020 10.6211004 -1.90069997 9.459600450 12.4041996 -0.907800019 8.232899670 11.57989980.2403 9.050900460 13.0151997 -0.29429999 9.617400170  13.9364996 -1.99699998 9.002099990! 12.4756002 -5.89309978 11.37409970" -7.29178572 2.73455071 10.4021997 -4.82410002 11.81499960# -3.11962295 3.65241194 14.5177002 -6.93319988 10.93249990$ 15.4137001 -2.32349992 6.170899870% 14.3529997 -2.36229992 7.412000180& 13.6590004 -4.55749989 6.760399820' 13.4572001 -3.53740001 5.501299860( -5.86555719 -3.35733557 17.4008007 -6.94129992 3.246299980) -5.95016146 -0.715209723 18.9501991 -5.58930016 6.085899830* 17.5669994 -4.81549978 7.387100220+ 17.6000996 -3.43160009 6.52089977046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgmxc```d`0``ɐ```Ɛʠ`ȐdY&@q s  BH2̀:tdxX`.+]@2H49db526e-1a61-4b87-8952-9002253b6426 VOSA$1a3a6b09-b136-47b8-b3e7-6c14d8429e2544 -6.77291584 0.0780492499 12.6181002 0.415300012 10.01690010 -6.72397995 1.07685113 11.6928997 -0.614799976 10.64389990 -7.56449986 1.61863172 10.3206997 -0.523999989 9.996399880 -5.83452463 1.53387249 12.2641001 -2.0071001110.42770 -4.99319315 0.993295074 13.4647999 -2.1400001 9.737700460 -4.10172844 1.44645369 13.9968004 -3.40890002 9.533599850 -4.0510807 2.45037746 13.3347998 -4.53389978 10.01519970 -4.89189863 3.00114179 12.1345997 -4.39330006 10.70470050 -5.7838769 2.53779578 11.5956001 -3.12700009 10.91240020 -6.62520838 3.07831621 10.4315996 -2.99070001 11.58110050 -3.15962195 2.90347934 13.8324003 -5.77519989 9.829000470 -3.26278424 0.902235806 15.2491999 -3.52850008 8.812100410 -2.37200594 1.3566736 16.3169994 -3.50180006 9.423899650 -3.31461883 -0.096419818715.2437 -3.67409992 7.420400140 -2.46931314 -0.641296029 16.3194008 -4.42630005 6.755300050 -2.52112293 -1.64048123 16.4801998 -4.08379984 5.283400060 -3.41045356 -2.1013546 15.1106005 -4.27159977 4.653100010 -4.25505495 -1.55538547 13.9589996 -3.79710007 5.333000180 -5.14980745 -2.00824237 12.7250996 -4.01669979 4.775800230 -5.1983695 -3.01475573 12.6492004 -4.67959976 3.579099890 -4.35376835 -3.56072521 13.7842999-5.1092 2.941900010 -4.40259647 -4.55953264 13.6590004 -5.70739985 1.886399980 -3.46068859 -3.10012698 15.0230999 -4.88019991 3.486299990 -5.98887157 -1.46421003 11.5803003 -3.60249996 5.361800190 -4.21165037 -0.55078256114.1475 -3.06750011 6.653200150 12.6997004 0.237000003 9.036299710 12.2424002 1.33109999 10.15900040 13.5208998 0.355599999 10.44279960 11.6113005 -0.436500013 11.62440010 9.71199989 -1.20179999 10.40890030 9.944999690.3917 10.13860030 10.4022999 -0.702300012 9.015800480  13.9406004 -1.33130002 9.391799930! 11.6591997 -5.2020998 11.05099960" -7.29178572 2.73455071 9.60070038 -3.42409992 11.23200040# -3.11962295 3.65241194 13.6483002 -6.49359989 10.49989990$ 16.1172009 -5.40250015 6.832600120% 17.1807003 -4.22629976 7.222499850& 16.7831001 -3.13649988 5.178899770' 17.1455994 -4.69570017 4.855700020( -5.86555719 -3.35733557 11.7552004 -4.85220003 3.165699960) -5.95016146 -0.715209723 11.2138004 -2.69490004 5.15710020* 14.3634996 -2.10809994 6.471799850+ 13.3023005 -3.12409997 7.18470001046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgfxc```d`0``` $Mt.m`C 9e``ÉDZ i 0*ql2\.7W,ʻt9Z@2H4094509f-488a-40d7-8264-072a972943a7 WOSA$9ade4348-8742-4a6d-9b4b-77a0eb486b5e44 -6.77291584 0.0780492499 13.3818998 -0.0472999997 10.57180020 -6.72397995 1.07685113 12.3486004 -1.09500003 10.95279980 -7.56449986 1.61863172 11.0213003 -0.761500001 10.29150010 -5.83452463 1.5338724912.8181 -2.46329999 10.48519990 -4.99319315 0.993295074 14.0369997 -2.56389999 9.822099690 -4.10172844 1.44645369 14.4766998 -3.81060004 9.389300350 -4.0510807 2.45037746 13.7052002 -4.94570017 9.617799760 -4.89189863 3.00114179 12.4875002 -4.8375001 10.28180030 -5.7838769 2.53779578 12.0404997-3.5934 10.71739960 -6.62520838 3.07831621 10.8593998 -3.48850012 11.36149980 -3.15962195 2.90347934 14.1119003 -6.16590023 9.206800460 -3.26278424 0.902235806 15.7496996 -3.89650011 8.699700360 -2.37200594 1.3566736 16.7849998 -4.08179998 9.339400290 -3.31461883 -0.0964198187 15.8009996 -3.76880002 7.307300090 -2.46931314 -0.641296029 14.7967997 -2.93099999 6.626800060 -2.52112293 -1.64048123 15.4385004 -1.94959998 5.649600030 -3.41045356 -2.1013546 16.6487999 -2.48110008 4.878399850 -4.25505495 -1.55538547 17.3306007 -3.65210009 5.320600030 -5.14980745 -2.00824237 18.4603004 -4.04759979 4.646299840 -5.1983695 -3.01475573 18.8953991 -3.34179997 3.554899930 -4.35376835 -3.56072521 18.2080994 -2.24070001 3.111500020 -4.40259647 -4.55953264 18.5983009 -1.63080001 2.124200110 -3.46068859 -3.10012698 17.0900993 -1.85300004 3.801599980 -5.98887157 -1.46421003 19.1807003 -5.12909985 5.019599910 -4.21165037 -0.550782561 16.8395004 -4.45550013 6.51539993013.4972 -0.0386000015 9.57849979013.073 0.852699995 10.87940030 14.2551003-0.2667 11.00689980 12.2333002 -1.10360003 11.94610020 10.3415003 -1.45079994 10.54220010 10.7124004 0.138500005 10.59910010 11.1365995 -0.752900004 9.298199650  14.5915003 -1.74800003 9.658200260! 11.9334002 -5.65360022 10.44620040" -7.29178572 2.73455071 10.0150995 -3.77220011 10.90680030# -3.11962295 3.65241194 14.6647997 -6.73869991 9.812000270$14.2872 -2.41470003 7.315000060% 14.1691999 -3.52449989 6.122900010& 14.7433004 -1.67980003 4.983399870' 15.7325001 -1.14680004 6.168300150( -5.86555719 -3.35733557 19.7238007 -3.6329999 3.076299910) -5.95016146 -0.715209723 19.7127991 -5.10760021 5.866000180* 16.4617004 -5.31899977 6.181099890+ 17.6196995 -4.64190006 7.11240005046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgnxc```d`0``@h``Ƞ` 3aHLlS.C"C*C22XU&եU%)@i I̺sD=c@@; Ey.2z@2H60077451-964f-4950-aece-87b1e6a7d5fb XOSA$995a4fec-5e43-4eab-8342-ef7d827a669e44 -6.77291584 0.0780492499 13.1437998 0.0604999997 10.57129960 -6.72397995 1.07685113 12.2256002 -1.07669997 10.98820020 -7.56449986 1.61863172 10.8402004 -0.84869998710.40590 -5.83452463 1.53387249 12.7824001 -2.39330006 10.47080040 -4.99319315 0.993295074 13.9667997 -2.38030005 9.741000180 -4.10172844 1.44645369 14.4856005 -3.5789001 9.262200360 -4.0510807 2.45037746 13.8266001 -4.77869987 9.510999680 -4.89189863 3.00114179 12.6428003 -4.78410006 10.24180030 -5.7838769 2.53779578 12.1170998 -3.58890009 10.72379970 -6.62520838 3.07831621 10.9688997-3.594111.43260 -3.15962195 2.90347934 14.3115997 -5.95389986 9.056300160 -3.26278424 0.902235806 15.7210999 -3.54629993 8.503299710 -2.37200594 1.3566736 16.8022003 -3.65129995 9.082500460 -3.31461883 -0.0964198187 15.6842003 -3.39540005 7.112699990 -2.46931314 -0.641296029 14.3685999 -3.26679993 6.454899790 -2.52112293 -1.64048123 14.3775997 -3.58769989 4.966300010 -3.41045356 -2.101354615.5632 -4.44360018 4.544000150 -4.25505495 -1.55538547 16.8115005 -4.31069994 5.215199950 -5.14980745 -2.00824237 17.9050999 -5.04239988 4.839900020 -5.1983695 -3.0147557317.7584 -5.95819998 3.834100010 -4.35376835 -3.56072521 16.5494003 -6.13520002 3.21110010 -4.40259647 -4.55953264 16.4515991 -7.00500011 2.358299970 -3.46068859 -3.10012698 15.4864998 -5.34789991 3.578500030 -5.98887157 -1.46421003 19.1103001 -4.9204998 5.434599880 -4.21165037 -0.550782561 16.9685001 -3.36940002 6.396999840 13.2027998 0.0926999971 9.573499680 12.7776003 0.926599979 10.91160010 14.0552998 -0.0894000009 10.95440010 12.1666002 -1.10889995 11.98589990 10.2360001 -1.59689999 10.68019960 10.4738998 0.0173000004 10.74619960 10.8991003 -0.816600025 9.408100130  14.4404001 -1.51789999 9.562399860! 12.1695995 -5.64669991 10.42080020" -7.29178572 2.73455071 10.1276999 -3.94250011 11.01910020# -3.11962295 3.65241194 14.9435997 -6.48579979 9.619999890$ 14.0516005 -2.32540011 6.57030010% 13.7306995 -3.8908999 6.906000140& 13.5355997 -4.07840014 4.742099760' 14.4084997 -2.72819996 4.456200120( -5.86555719 -3.35733557 18.5445004 -6.5065999 3.548899890) -5.95016146 -0.715209723 19.3313007 -5.4769001 6.235499860* 17.7056007 -3.68350005 6.995299820+ 17.1695004 -2.44300008 6.07840014046          ! "!# "$ #%$&%'&(')(*)+*,+-2080I{jgkxc```d`0``` $t,420e$ ߔJ4 RL&10 s"3\.7W,ʻt9'cZ@2H8658afc2-9c9c-4d63-bc57-da170e02e0b7Hb65e38d0-23bf-4adb-a615-45346c6a7f70Kd}M@!AJ?Ӥ%?^@?Ӥ%?Ό`?ʏ@?Ό`? ?ʏ@? q$@iX?~j@W.?,@Z ?(a@?# ?# ? a?)K B?@?حݠ0Cbc@.oG4-hydroxy-2H,3H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-one, CSC020792064:cfĘ@9NE?G 8RA͎|s C12H16N2Oiei,Lyvt?ݝ+?ɠ-?e 8Bqi?z? =?z? =?z?(?z?~?z?z?z?zzR?z?(?z?(? =?z? =?z?z?z?zhigh?ᙙlow?85ڄHܨ'UMBď[g@;[g@;-;?D???D?}=`"ߌh@?֪-;-[g@;[g@??J(Ԧďďď@?TҺ}^F2_Ж-?z?넀?Q@?Q@?Q?Q@z?z?҆?҆?z?z?z?zyes?€no?z8w(CAg104#F.AõmYSecondary Amines:Fragment1_080I{jgH5e168bf0-c187-4246-bc24-9d8defb776c038'-pS D٨nJ7?ˢh?$?՘?ˢh?՘nn?Ơ???@h?=jc7ARb,qݡ?N###?v,l?\?v,lQl?`}`W6@?jK@?x9W4JB @! #p14)r?Ry?HY@?HY@?NA@j@ CB<00{2 ?@??@?k`?Ѯe@?k`?e3@?:)`??:?Z>@@i`?8t??@?#!??`?ep'Yq1?Ċ?<?<{2 @ ? j/ KP>PS vhttps://www.emolecules.com/cgi-bin/find?id=11488391*@^?-t?-t?-t?-t?-t?-t?4low?Eрhigh? medium?Every high?E8C Xcu1BlRO@Z/՞P ChemBridge3HDeC|mgj%UCc)41ɤ߇GꚒ<USDҒtHs Z?z??? 2C9 pKi?!E*2D6 affinity category?BBB category?' 0BBB log([brain]:[blood])?=p6FlexX Score 2XJX XJX_A_1232?HIA category?k`P-gp category?xPPB90 category?z@hERG pIC50?logP?hlogS?`wC#<-SA MFCD05864578`jfFow{v\ preferredm IEۜ.MOE 11488391bRƾDBB4004190yNq+xhttps://www.emolecules.com/cgi-bin/more?vid=11488391c#r@G|C1jKJAoddCc1cc(cc(c1)N2CCN(CC2=O)C(=O)c3cc(c(cc3O)O)C(C)C)C3>vmtBqW51]!kM>#Cv]d١\m:v&si Zｗ˝5:w>򓢉t fɃߊ䖾ߔ6bڨiOSA$9e620151-46e3-42ae-9549-9680f078c4ac54 2.59362292 4.52310896 14.9988003 -6.67309999 0.2163999970 1.73056304 4.01800728 15.5895004-5.6085 1.126600030 0.858554959 4.51803637 16.2287998 -4.50939989 0.5629000070-0.00455613295 4.01296043 16.7646999 -3.54119992 1.405099990-0.00450778985 3.01292944 16.6688995 -3.65700006 2.787800070 0.867500126 2.51290011 16.0242004 -4.76590014 3.324700120 1.73946011 3.01290226 15.4797001 -5.7494998 2.505800010 0.867499888 1.51290011 15.9195004 -4.89610004 4.7149000200 1.00520003 14.5740995 -4.95830011 5.305799960 00 14.5893002 -4.08720016 6.550899980 0.867500722 -0.497500032 15.6936998 -4.4137001 7.46859980 1.735000493.57627869e-07 16.8964005 -5.1342001 7.02239990 1.73500001 1.00520039 17.0639992 -4.96089983 5.520800110 2.60249686 1.50264311 18.1837006 -4.87559986 5.041800020 0.867501378 -1.49750006 15.5999002 -4.02629995 8.810299870 0.00147634745 -1.99750066 16.6200008 -3.76740003 9.448900220 1.73352706 -1.9974995914.3013 -3.93000007 9.447999950 2.60030437 -1.4987403213.5976 -2.73020005 9.414999960 3.46852541 -1.9949805712.3525 -2.64549994 10.02939990 3.46998453 -3.00017953 11.8102999 -3.75239992 10.67360020 2.60322261 -3.50913835 12.5135002 -4.9520998 10.70670030 1.73498654 -3.00269842 13.7587004 -5.03789997 10.09309960 0.868212998 -3.50140047 14.4211998 -6.21400023 10.13939950 4.33820248 -3.49636221 10.6023998 -3.68120003 11.27270030 4.33309603 -1.4924690711.5836 -1.33469999 9.993399620 4.33019352 -0.492473304 11.3409004 -0.850499988 11.41370010 5.20056915 -1.9899534 12.3909998 -0.294200003 9.234499930 -0.872053146 4.51040268 17.4664993 -2.33319998 0.8058000210 14.0145998 -6.74230003 0.3794000150 15.1618996 -6.42339993 -0.7380999920 15.4313002 -7.55380011 0.4092000130 16.3017006 -4.41699982 -0.4302000110  17.0566998 -2.95510006 3.385299920! 15.0178003 -6.54339981 2.901400090" 14.3507004 -5.90180016 5.550499920# 13.8977003 -4.61369991 4.654799940$ 14.6801996 -3.13179994 6.270100120% 13.7241001 -4.21099997 7.036799910&16.8013 -6.10620022 7.237100120' 17.6987991 -4.76599979 7.49200010( 13.9849997 -1.93289995 8.951999660) 12.1255999 -5.74919987 11.16950040* 0.219256461 -3.12542772 14.2924995 -6.82999992 10.91650010+ 4.3415041 -4.24635506 9.77429962 -3.89829993 10.75590040, 10.7061996 -1.47529995 9.534700390- 12.2182999 -0.709800005 11.87240030. 10.8351002 0.0118000004 11.39000030/10.8097 -1.53499997 11.913000100 12.5507002 -0.612800002 8.3001003301 11.8851995 0.568099976 9.2108001702 13.2684002 -0.153600007 9.6932001103 18.4146004 -2.30730009 1.1227999904 17.4503002 -2.3993001-0.191905 16.9962997 -1.49849999 1.09220004056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jg OSA$9e620151-46e3-42ae-9549-9680f078c4ac54 2.59362292 4.52310896 14.9988003 -6.67309999 0.2163999970 1.73056304 4.01800728 15.5895004-5.6085 1.126600030 0.858554959 4.51803637 16.2287998 -4.50939989 0.5629000070-0.00455613295 4.01296043 16.7646999 -3.54119992 1.405099990-0.00450778985 3.01292944 16.6688995 -3.65700006 2.787800070 0.867500126 2.51290011 16.0242004 -4.76590014 3.324700120 1.73946011 3.01290226 15.4797001 -5.7494998 2.505800010 0.867499888 1.51290011 15.9195004 -4.89610004 4.7149000200 1.00520003 14.5740995 -4.95830011 5.305799960 00 14.5893002 -4.08720016 6.550899980 0.867500722 -0.497500032 15.6936998 -4.4137001 7.46859980 1.735000493.57627869e-07 16.8964005 -5.1342001 7.02239990 1.73500001 1.00520039 17.0639992 -4.96089983 5.520800110 2.60249686 1.50264311 18.1837006 -4.87559986 5.041800020 0.867501378 -1.49750006 15.5999002 -4.02629995 8.810299870 0.00147634745 -1.99750066 16.6200008 -3.76740003 9.448900220 1.73352706 -1.9974995914.3013 -3.93000007 9.447999950 2.60030437 -1.4987403213.5976 -2.73020005 9.414999960 3.46852541 -1.9949805712.3525 -2.64549994 10.02939990 3.46998453 -3.00017953 11.8102999 -3.75239992 10.67360020 2.60322261 -3.50913835 12.5135002 -4.9520998 10.70670030 1.73498654 -3.00269842 13.7587004 -5.03789997 10.09309960 0.868212998 -3.50140047 14.4211998 -6.21400023 10.13939950 4.33820248 -3.49636221 10.6023998 -3.68120003 11.27270030 4.33309603 -1.4924690711.5836 -1.33469999 9.993399620 4.33019352 -0.492473304 11.3409004 -0.850499988 11.41370010 5.20056915 -1.9899534 12.3909998 -0.294200003 9.234499930 -0.872053146 4.51040268 17.4664993 -2.33319998 0.8058000210 14.0145998 -6.74230003 0.3794000150 15.1618996 -6.42339993 -0.7380999920 15.4313002 -7.55380011 0.4092000130 16.3017006 -4.41699982 -0.4302000110  17.0566998 -2.95510006 3.385299920! 15.0178003 -6.54339981 2.901400090" 14.3507004 -5.90180016 5.550499920# 13.8977003 -4.61369991 4.654799940$ 14.6801996 -3.13179994 6.270100120% 13.7241001 -4.21099997 7.036799910&16.8013 -6.10620022 7.237100120' 17.6987991 -4.76599979 7.49200010( 13.9849997 -1.93289995 8.951999660) 12.1255999 -5.74919987 11.16950040* 0.219256461 -3.12542772 14.2924995 -6.82999992 10.91650010+ 4.3415041 -4.24635506 9.77429962 -3.89829993 10.75590040, 10.7061996 -1.47529995 9.534700390- 12.2182999 -0.709800005 11.87240030. 10.8351002 0.0118000004 11.39000030/10.8097 -1.53499997 11.913000100 12.5507002 -0.612800002 8.3001003301 11.8851995 0.568099976 9.2108001702 13.2684002 -0.153600007 9.6932001103 18.4146004 -2.30730009 1.1227999904 17.4503002 -2.3993001-0.191905 16.9962997 -1.49849999 1.09220004056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jgnxc```d`0`ʐ```Đ`ː [0Y& F@ld%EAl]Kl PWP̀rw[42  Н\_rsŢKx@2H5e168bf0-c187-4246-bc24-9d8defb776c0 OSA$39fd343e-e8c5-45ef-bd49-4b541b04d7fb54 2.59362292 4.52310896 18.6930008 -5.0486002 0.7430999880 1.73056304 4.01800728 17.4715996 -5.38800001 1.581799980 0.858554959 4.51803637 16.5037003 -6.24039984 1.060899970-0.00455613295 4.01296043 15.3908997 -6.54470015 1.837399960-0.00450778985 3.01292944 15.2369003 -6.01420021 3.113800050 0.867500126 2.51290011 16.2198009 -5.16499996 3.610100030 1.73946011 3.01290226 17.3425999 -4.84329987 2.854899880 0.867499888 1.51290011 16.0788994 -4.62349987 4.8934001900 1.00520003 17.1091003 -4.93550014 5.888800140 00 17.1865997 -3.68610001 6.738800050 0.867500722 -0.497500032 15.8837004 -3.59540009 7.408599850 1.735000493.57627869e-0714.7395 -3.23130012 6.564499860 1.73500001 1.00520039 14.9638996 -3.8197999 5.180300240 2.60249686 1.50264311 14.1359997 -3.57940006 4.314599990 0.867501378 -1.49750006 15.7255001 -3.8427999 8.777099610 0.00147634745 -1.99750066 16.7005005 -4.14659977 9.464400290 1.73352706 -1.99749959 14.4131002 -3.74119997 9.385199550 2.60030437 -1.49874032 13.7193003 -2.536000019.34480 3.46852541 -1.99498057 12.4609003 -2.44630003 9.93070030 3.46998453 -3.00017953 11.8956003 -3.55369997 10.55399990 2.60322261 -3.50913835 12.5890999 -4.75890017 10.59449960 1.73498654 -3.00269842 13.8474998 -4.84969997 10.00930020 0.868212998 -3.5014004714.5 -6.03100014 10.06229970 4.33820248 -3.49636221 10.6746998-3.4777 11.12549970 4.33309603 -1.49246907 11.7026997 -1.12940001 9.886599540 5.20056915 -1.9899534 11.4307003 -0.653699994 11.30440040 4.33019352 -0.492473304 12.5352001 -0.0896999985 9.154299740 -0.872053146 4.51040268 14.3235998 -7.47489977 1.283699990 19.5191994 -5.34450006 1.222399950 18.6329994 -5.51739979-0.13820 18.7304001 -4.0605998 0.5932000280 16.6063004 -6.62750006 0.1446000040  14.4335003 -6.23950005 3.664999960! 18.0442009 -4.23169994 3.220499990" 17.9867992 -5.11959982 5.446400170# 16.8421001 -5.72529984 6.441199780$ 17.9221992 -3.76469994 7.411699770% 17.3432999 -2.88140011 6.166100030& 14.6682997 -2.23580003 6.501599790' 13.8976002 -3.60150003 6.957300190( 14.1232004 -1.73829997 8.896800040) 12.1845999 -5.55630016 11.04230020* 0.219256461 -3.12542772 14.3487997 -6.65170002 10.83160020+ 4.3415041 -4.24635506 9.8572998 -3.68479991 10.58790020, 10.8352003 -1.260200029.40660- 12.2981005 -0.523000002 11.78429990.10.9319 0.212500006 11.27540020/ 10.8829002 -1.33780003 11.78619960012.7142 -0.402700007 8.221599580112.0365 0.776499987 9.1253004102 13.4027004 0.0410000011 9.6343002303 13.4477997 -6.99350023 1.2479000104 14.5812998 -7.76719999 0.36280000205 14.2396002 -8.27600002 1.87639999056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jglxc```d`0``ʐȐʐ``d2X O $ ifY2q1CP> (j0.k \.7W,ʻt9@2H05aeb265-95d2-4880-b060-919b3f4b679e OSA$029829e8-9e16-435d-a9fc-8cf96d80420c54 2.59362292 4.52310896 14.8927002 -3.278199910.22270 1.73056304 4.01800728 15.9418001 -3.11120009 1.309999940 0.858554959 4.5180363717.1826 -2.57509995 0.9819999930-0.00455613295 4.01296043 18.1345005 -2.42610002 1.984799980-0.00450778985 3.01292944 17.8630009 -2.80100012 3.296400070 0.867500126 2.51290011 16.6142998 -3.33410001 3.596600060 1.73946011 3.01290226 15.6440001 -3.49469995 2.613100050 0.867499888 1.51290011 16.3262997 -3.71569991 4.9123997700 1.00520003 15.2117004 -3.05010009 5.59359980 00 14.6375999 -4.12459993 6.491199970 0.867500722 -0.497500032 15.6936998 -4.4137001 7.46859980 1.735000493.57627869e-07 16.8691998 -5.13479996 6.965799810 1.73500001 1.00520039 17.1126003-4.7026 5.528299810 2.60249686 1.50264311 18.0256004 -5.23640013 4.916500090 0.867501378 -1.49750006 15.5999002 -4.02629995 8.810299870 0.00147634745 -1.99750066 16.6200008 -3.76740003 9.448900220 1.73352706 -1.9974995914.3013 -3.93000007 9.447999950 2.60030437 -1.4987403213.5976 -2.73020005 9.414999960 3.46852541 -1.9949805712.3525 -2.64549994 10.02939990 3.46998453 -3.00017953 11.8102999 -3.75239992 10.67360020 2.60322261 -3.50913835 12.5135002 -4.9520998 10.70670030 1.73498654 -3.00269842 13.7587004 -5.03789997 10.09309960 0.868212998 -3.50140047 14.4211998 -6.21400023 10.13939950 4.33820248 -3.49636221 10.6023998 -3.68120003 11.27270030 4.33309603 -1.4924690711.5836 -1.33469999 9.993399620 5.20056915 -1.9899534 11.3409004 -0.850499988 11.41370010 4.33019352 -0.492473304 12.3909998 -0.294200003 9.234499930 -0.872053146 4.51040268 19.4957008 -1.84150004 1.643900040 14.0811996 -2.74320006 0.4575999980 15.2624998 -2.95760012 -0.6492999790 14.6443005 -4.24370003 0.1447000060 17.3866005 -2.30170012 0.04190000150  18.5536995 -2.68930006 4.010799880! 14.7488003 -3.87890005 2.838900090" 14.5289001 -2.73539996 4.934199810# 15.5374002 -2.27329993 6.132599830$ 13.8142004 -3.79360008 6.95209980% 14.4166002 -4.94320011 5.96110010& 16.7017002 -6.120100026.99930' 17.6674004 -4.91309977 7.525800230( 13.9849997 -1.93289995 8.951999660) 12.1255999 -5.74919987 11.16950040* 0.219256461 -3.12542772 14.2924995 -6.82999992 10.91650010+ 4.3415041 -4.24635506 9.77429962 -3.89829993 10.75590040, 10.7061996 -1.47529995 9.534700390- 12.2182999 -0.709800005 11.87240030. 10.8351002 0.0118000004 11.39000030/10.8097 -1.53499997 11.913000100 12.5507002 -0.612800002 8.3001003301 11.8851995 0.568099976 9.2108001702 13.2684002 -0.153600007 9.6932001103 20.2089005 -2.50710011 1.8638000504 19.5307999 -1.62549996 0.66809999905 19.6427994 -1.00740004 2.17540002056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jgmxc```d`0``` i @ 1bHdHL| K ˂!M43c)PP9Pޔ!G?N/rbQޥ_˱@2H54247f11-52ae-4189-8d84-f63a5e62795c OSA$073ee4e3-15f5-4405-9b80-f8edb26dbb7c54 2.59362292 4.52310896 15.0813999 0.123599999 2.019900080 1.73056304 4.01800728 15.5209999 -1.32589996 2.147799970 0.858554959 4.51803637 15.9946003 -1.99510002 1.024199960-0.00455613295 4.01296043 16.3948002 -3.320699931.1530-0.00450778985 3.01292944 16.3290997 -3.97670007 2.377599950 0.867500126 2.51290011 15.8519001 -3.28379989 3.48480010 1.73946011 3.01290226 15.4443998 -1.95770001 3.38420010 0.867499888 1.51290011 15.7803001 -3.93050003 4.7237000500 1.00520003 17.0167007 -4.46869993 5.321499820 00 17.0277004 -4.51140022 6.848499770 0.867500722 -0.497500032 15.6936998 -4.4137001 7.46859980 1.735000493.57627869e-07 14.4533005 -4.71339989 6.743999960 1.73500001 1.00520039 14.5462999 -4.06510019 5.372799870 2.60249686 1.50264311 13.5113001 -3.66140008 4.863599780 0.867501378 -1.49750006 15.5999002 -4.02629995 8.810299870 0.00147634745 -1.99750066 16.6200008 -3.76740003 9.448900220 1.73352706 -1.9974995914.3013 -3.93000007 9.447999950 2.60030437 -1.4987403213.5976 -2.73020005 9.414999960 3.46852541 -1.9949805712.3525 -2.64549994 10.02939990 3.46998453 -3.00017953 11.8102999 -3.75239992 10.67360020 2.60322261 -3.50913835 12.5135002 -4.9520998 10.70670030 1.73498654 -3.00269842 13.7587004 -5.03789997 10.09309960 0.868212998 -3.50140047 14.4211998 -6.21400023 10.13939950 4.33820248 -3.49636221 10.6023998 -3.68120003 11.27270030 4.33309603 -1.4924690711.5836 -1.33469999 9.993399620 5.20056915 -1.9899534 11.3409004 -0.850499988 11.41370010 4.33019352 -0.492473304 12.3909998 -0.294200003 9.234499930 -0.872053146 4.51040268 16.9153004 -4.06710005-0.06470 15.6374998 0.695100009 2.62339997015.1987 0.425300002 1.07369995014.1187 0.204099998 2.278399940 16.0463009 -1.53139997 0.1396999960  16.6200008 -4.929900172.46050! 15.1027002 -1.46780002 4.186200140" 17.780899 -3.89779997 5.021299840# 17.1445007 -5.40119982 4.983900070$ 17.4433994 -5.37470007 7.134500030% 17.5832005 -3.74830008 7.17899990& 13.6700001 -4.34250021 7.242899890'14.3476 -5.70289993 6.645599840( 13.9849997 -1.93289995 8.951999660) 12.1255999 -5.74919987 11.16950040* 0.219256461 -3.12542772 14.2924995 -6.82999992 10.91650010+ 4.3415041 -4.24635506 9.77429962 -3.89829993 10.75590040, 10.7061996 -1.47529995 9.534700390- 12.2182999 -0.709800005 11.87240030. 10.8351002 0.0118000004 11.39000030/10.8097 -1.53499997 11.913000100 12.5507002 -0.612800002 8.3001003301 11.8851995 0.568099976 9.2108001702 13.2684002 -0.153600007 9.6932001103 16.3358002 -4.86280012 -0.24079999304 16.8990993-3.4605 -0.85960000805 17.8533993 -4.36889982 0.105099998056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jgixc```d`0`````$Mt,R, B!!uj`%qWL?N/rbQޥ_ە5@2Hf4721025-93d5-496f-8eaa-72c5a729959b OSA$d7907221-3647-4dcc-afe0-07db9573c39d54 2.59362292 4.52310896 16.9503994 -6.85769987 0.06310000270 1.73056304 4.01800728 16.4223995 -5.70860004 0.9065999980 0.858554959 4.51803637 16.0307007 -4.52939987 0.2815999980-0.00455613295 4.01296043 15.5483999 -3.48510003 1.063099980-0.00450778985 3.01292944 15.4530001 -3.605000022.44540 0.867500126 2.51290011 15.8512001 -4.79510021 3.044300080 1.73946011 3.01290226 16.3377991 -5.85540009 2.286999940 0.867499888 1.5129001115.7605 -4.93079996 4.4349999400 1.00520003 14.4362001 -4.79339981 5.059899810 00 14.6162996 -3.95619988 6.315199850 0.867500722 -0.497500032 15.6779003 -4.46549988 7.199600220 1.735000493.57627869e-07 16.7429008 -5.35629988 6.712999820 1.73500001 1.00520039 16.8997993 -5.18590021 5.20989990 2.60249686 1.50264311 18.0074005 -5.26739979 4.703000070 0.867501378 -1.49750006 15.6773996 -4.09079981 8.548199650 0.00147634745 -1.99750066 16.7401009 -4.00409985 9.163299560 1.73352706 -1.99749959 14.4247999 -3.8046999 9.22080040 2.60030437 -1.49874032 13.9158001 -2.50990009 9.221599580 3.46852541 -1.99498057 12.7139997 -2.24329996 9.869199750 3.46998453 -3.00017953 12.0214996 -3.26329994 10.51299950 2.60322261 -3.50913835 12.5300999 -4.55800009 10.51229950 1.73498654 -3.00269842 13.7319002 -4.82569981 9.865400310 0.868212998 -3.50140047 14.2041998 -6.09089994 9.879300120 4.33820248 -3.4963622110.8539 -3.01559997 11.14430050 4.33309603 -1.49246907 12.1576996 -0.828599989 9.870200160 4.33019352 -0.492473304 12.0270004 -0.336499989 11.30239960 5.20056915 -1.9899534 13.0988998 0.0864999965 9.104000090 -0.872053146 4.51040268 15.1156998 -2.18930006 0.3962999880 16.3670998 -7.65999985 0.1903000030 16.9468994 -6.59250021 -0.9010000230 17.8843994 -7.07660007 0.3452999890 16.0948009 -4.43429995 -0.7117999790  15.1041002 -2.84870005 2.998899940! 16.6215992 -6.70739985 2.726799960" 14.0746002 -5.69469976 5.298099990# 13.8065004 -4.33710003 4.431200030$ 14.8480997 -3.02189994 6.044499870% 13.7540998 -3.95230007 6.821899890& 16.5028992 -6.30530024 6.917500020' 17.6037998 -5.12510014 7.166200160( 14.4112997 -1.77479994 8.758999820) 12.0340004 -5.2929000910.97470* 0.219256461 -3.12542772 13.9997997 -6.69250011 10.65149970+ 4.3415041 -4.24635506 10.0202999 -3.48729992 10.85700040, 11.2585001 -0.823700011 9.432700160- 12.9261999 -0.341500014 11.73989960. 11.6611004 0.594099998 11.30309960/ 11.4077997 -0.938600004 11.806500400 13.1849003 -0.237200007 8.1617002501 12.7329998 1.01709998 9.1045999502 13.9981003 0.0816000029 9.5415000903 15.6662998 -1.43280005 0.7491000290415.2458 -2.26349998 -0.59240001405 14.1501999 -2.01920009 0.593500018056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jgjxc```d`0````Ɛ`Ɛʠ -,D m d%2Œ,Cc ,k i`yhIY t's\(/^@2H7984fd6e-d683-4a35-a28c-179388a39f19 OSA$d1941d7b-dada-4319-9084-3f7fcd5f520954 2.59362292 4.52310896 13.5120001 -4.30100012 0.4216000140 1.73056304 4.01800728 14.4819002 -3.57929993 1.343099950 0.858554959 4.5180363715.2563 -2.54060006 0.8373000030-0.00455613295 4.01296043 16.1396008 -1.88689995 1.689700010-0.00450778985 3.01292944 16.2551994 -2.25430012 3.026099920 0.867500126 2.51290011 15.4687996 -3.2960999 3.505599980 1.73946011 3.01290226 14.5776997 -3.96740007 2.675100090 0.867499888 1.51290011 15.5739002 -3.67689991 4.8485999100 1.0052000314.3757 -3.57809997 5.687699790 00 14.5122995 -4.73140001 6.657599930 0.867500722 -0.497500032 15.6936998 -4.4137001 7.46859980 1.735000493.57627869e-07 16.9944992 -4.51989985 6.796999930 1.73500001 1.00520039 16.8106995-4.1243 5.340199950 2.60249686 1.50264311 17.7796993 -4.19899988 4.599800110 0.867501378 -1.49750006 15.5999002 -4.02629995 8.810299870 0.00147634745 -1.99750066 16.6200008 -3.76740003 9.448900220 1.73352706 -1.9974995914.3013 -3.93000007 9.447999950 2.60030437 -1.4987403213.5976 -2.73020005 9.414999960 3.46852541 -1.9949805712.3525 -2.64549994 10.02939990 3.46998453 -3.00017953 11.8102999 -3.75239992 10.67360020 2.60322261 -3.50913835 12.5135002 -4.9520998 10.70670030 1.73498654 -3.00269842 13.7587004 -5.03789997 10.09309960 0.868212998 -3.50140047 14.4211998 -6.21400023 10.13939950 4.33820248 -3.49636221 10.6023998 -3.68120003 11.27270030 4.33309603 -1.4924690711.5836 -1.33469999 9.993399620 4.33019352 -0.492473304 11.3409004 -0.850499988 11.41370010 5.20056915 -1.9899534 12.3909998 -0.294200003 9.234499930 -0.872053146 4.51040268 16.9934006 -0.749100029 1.153499960 12.5815001 -4.20289993 0.7742000220 13.5648003 -3.90400004 -0.4947000150 13.7517996 -5.27089977 0.3788999920 15.1794004 -2.26869988-0.12190  16.8927002 -1.77769995 3.631500010! 14.0162001 -4.71540022 3.029200080" 13.5467997 -3.67350006 5.136400220# 14.3535995 -2.70490003 6.174499990$ 13.6990004 -4.80210018 7.235300060% 14.6463003 -5.59079981 6.164100170& 17.3285007 -5.46080017 6.852700230' 17.6522007 -3.90630007 7.234000210( 13.9849997 -1.93289995 8.951999660) 12.1255999 -5.74919987 11.16950040* 0.219256461 -3.12542772 14.2924995 -6.82999992 10.91650010+ 4.3415041 -4.24635506 9.77429962 -3.89829993 10.75590040, 10.7061996 -1.47529995 9.534700390- 12.2182999 -0.709800005 11.87240030. 10.8351002 0.0118000004 11.39000030/10.8097 -1.53499997 11.913000100 12.5507002 -0.612800002 8.3001003301 11.8851995 0.568099976 9.2108001702 13.2684002 -0.153600007 9.6932001103 17.9605999 -0.977100015 1.2648999704 16.7931004 -0.610499978 0.18359999405 16.7880001 0.0886999965 1.65939999056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jgmxc```d`0`ΐ`````` ː` L,.C"e d1Y&@@}@2(fy wXi\.7W,ʻt92@2H7f580614-d3f9-4341-a343-6e4489509c69 OSA$ec112cc8-ee61-44bc-b6df-1a44a6b75a5454 2.59362292 4.52310896 15.9456997 -4.83839989 0.07869999860 1.73056304 4.01800728 15.6423998 -3.83520007 1.179700020 0.858554959 4.5180363715.2591 -2.54299998 0.8363999720-0.00455613295 4.01296043 14.9834003 -1.63380003 1.851899980-0.00450778985 3.01292944 15.0838003 -1.99749994 3.190599920 0.867500126 2.51290011 15.4687996 -3.2960999 3.505599980 1.73946011 3.01290226 15.7510996 -4.22550011 2.510099890 0.867499888 1.51290011 15.5739002 -3.67689991 4.8485999100 1.0052000314.3757 -3.57809997 5.687699790 00 14.5122995 -4.73140001 6.657599930 0.867500722 -0.497500032 15.6936998 -4.4137001 7.46859980 1.735000493.57627869e-07 16.9944992 -4.51989985 6.796999930 1.73500001 1.00520039 16.8106995-4.1243 5.340199950 2.60249686 1.50264311 17.7796993 -4.19899988 4.599800110 0.867501378 -1.49750006 15.5999002 -4.02629995 8.810299870 0.00147634745 -1.99750066 16.6200008 -3.76740003 9.448900220 1.73352706 -1.9974995914.3013 -3.93000007 9.447999950 2.60030437 -1.4987403213.5976 -2.73020005 9.414999960 3.46852541 -1.9949805712.3525 -2.64549994 10.02939990 3.46998453 -3.00017953 11.8102999 -3.75239992 10.67360020 2.60322261 -3.50913835 12.5135002 -4.9520998 10.70670030 1.73498654 -3.00269842 13.7587004 -5.03789997 10.09309960 0.868212998 -3.50140047 14.4211998 -6.21400023 10.13939950 4.33820248 -3.49636221 10.6023998 -3.68120003 11.27270030 4.33309603 -1.4924690711.5836 -1.33469999 9.993399620 5.20056915 -1.9899534 11.3409004 -0.850499988 11.41370010 4.33019352 -0.492473304 12.3909998 -0.294200003 9.234499930 -0.872053146 4.51040268 14.5628004 -0.217399999 1.494600060 15.3247995 -5.61829996 0.1580999940 15.8212004 -4.40269995 -0.812799990 16.8903999 -5.15420008 0.166299999015.1833 -2.27259994 -0.1233000010  14.8825998-1.3369 3.91389990! 16.0272007 -5.1571002 2.746599910" 13.5467997 -3.67350006 5.136400220# 14.3535995 -2.70490003 6.174499990$ 13.6990004 -4.80210018 7.235300060% 14.6463003 -5.59079981 6.164100170& 17.3285007 -5.46080017 6.852700230' 17.6522007 -3.90630007 7.234000210( 13.9849997 -1.93289995 8.951999660) 12.1255999 -5.74919987 11.16950040* 0.219256461 -3.12542772 14.2924995 -6.82999992 10.91650010+ 4.3415041 -4.24635506 9.77429962 -3.89829993 10.75590040, 10.7061996 -1.47529995 9.534700390- 12.2182999 -0.709800005 11.87240030. 10.8351002 0.0118000004 11.39000030/10.8097 -1.53499997 11.913000100 12.5507002 -0.612800002 8.3001003301 11.8851995 0.568099976 9.2108001702 13.2684002 -0.153600007 9.6932001103 15.2187004 0.432200015 1.8790999704 14.5390997 -0.117600001 0.49979999705 13.6539001 -0.0348999985 1.86960006056             ! "!#"$#% $& %' &( ')(*)+*,+-,.-/.0/10213243546572080I{jgkxc```d`0``Ȑ$,t,3 Jf02$èP! H2IShP He@@; Ey.2N@2H883a5556-a277-4b6f-a616-afee8695f8eeH5e168bf0-c187-4246-bc24-9d8defb776c0Kd}M@!AJ?Oq?ʲ?ʲ?ʲ?ʲ?gW ?ʲ?h?vO?vO?hr4@߆?x<?gW ?ʲ?gW ?6-`?ʲ?6-`j{P@?"?Oq?Oq?Oq@ Q?حݠ0Cbc@.o/1-(3,5-dimethylphenyl)piperazin-2-one, 4004190ٓ@}ŵu' 8RA͎|siei,Lyvt?ݝ+?ɠ-?e 8Bqi?z??z?z?z?z?z녀z? =??z?z??z?zz?z?z?Q?z?z?zzzhigh?Glow?\ 85ڄHܨ'UMBit̄AitH@H@?Q ᩠`?Ư€?ј?`ę ~@ę ?`?=?A=@ę ^̀ę ?A=@itź`? @V?TҺ}^F2_Ж-?z?zPzzz?R?R?z?z?zz?z?T?z?z?z?z?Ryes?G no?G8w(CAg#F.AõmY80I{jg ]@tt ?_`j/ KP>PS *@^?G?G?G?G??G???Glow?high? medium?very high?8C XcuBlRO@Z/՞P3HDeC|j%UCc)ɤ߇GꚒ<ҒtHs Z?S? ? 2C9 pKi?꽠*2D6 affinity category?BBB category? 0BBB log([brain]:[blood])?=p6FlexX Score 2XJX XJX_A_1232?HIA category?k`P-gp category?jPPB90 category?O hERG pIC50?;`logP?glogS?wC#<-SA`jfFow{v\m IEۜ.MOEbRƾDBByNq+c#r@G|CjKJAodjCC(C)c1cc(c(cc1O)O)C(=O)N2CCC(CC2)N3CCC(CC3)(C)C(=O)OOSA$ee9bf7c7-8535-4652-9621-50fd61b0779f61 0.860969782 6.5116910911.3834 -0.89819997511.0990 1.72844267 6.0142068911.6847 -1.40260005 9.697099690 2.59301329 6.51671791 12.5037003 -0.362899989 8.949700360 1.73134482 5.01421118 12.4708996 -2.70020008 9.783699990 0.867477179 4.51043034 13.7384005 -2.76629996 9.214200020 0.866025567 3.51040006 14.4577999 -3.95420003 9.293700220 1.73728263 3.00906348 13.9153996 -5.0630002 9.935999870 2.60999107 3.5077571912.6475 -4.98740005 10.50220010 2.60260177 4.5128746 11.9221001 -3.8036000710.4270 3.46641827 5.01668119 10.6934996 -3.74559999 10.98099990 1.73578286 2.0090646714.5962 -6.2256999 10.02490040 3.81565997e-08 3.0104003 15.7775002 -4.00549984 8.694399830 -0.866025269 3.5104003 16.7681007 -3.70469999 9.36040020 -1.96808557e-07 2.0104003 15.9245005 -4.39650011 7.360199930 -0.867500067 1.50270009 17.1779995 -5.07149982 6.987899780 -0.867500007 0.497500002 17.5716991 -4.74170017 5.55700016000 16.8376007 -3.49119997 5.104700090 0.867500126 0.497500539 15.3586998 -3.84159994 5.048200130 0.867499888 1.50270057 14.8157997 -4.08389997 6.4457998301.06404087e-07-1 17.3439999 -3.03010011 3.803100110 -0.867499709 -1.50770056 18.7015991 -2.50359988 3.98550010 -0.867498994 -2.51290059 19.4144001-2.6178 2.6433999501.33778826e-06 -3.0104000619.7514 -4.06510019 2.310499910 0.86750102 -2.5128994 18.5739002 -4.89709997 2.797199960 0.867500424 -1.50769949 17.2863007 -4.08690023 2.782599930 0.642048001 -3.77706575 19.9183006 -4.17399979 0.803099990 -0.642044485 -3.77706623 21.0091991 -4.54349995 3.016200070 -1.62701988 -3.60437155 20.9563999 -5.47529984 3.770499940 -0.299114943 -4.71642733 22.1511993 -3.9388001 2.801100020 12.2413998 -0.736199975 11.58650020 10.8660002 -0.0443000011 11.04199980 10.8445997 -1.58220005 11.59070010  10.8267002 -1.56459999 9.209600450! 12.7018995 -0.694700003 8.027400020" 11.9863005 0.490999997 8.89270020# 13.3615999 -0.200900003 9.437199590$14.1278-1.9691 8.752900120% 12.2574997 -5.78439999 10.96329980& 3.46311736 5.76667404 10.1288004 -4.56930017 11.03219990' 2.38473868 1.63309097 14.4506998 -6.8317999810.80690( 17.0545998 -6.06010008 7.073299880) 17.9060001 -4.77190018 7.604400160* 18.5580997 -4.58419991 5.510700230+ 17.3276997 -5.50579977 4.959700110, 16.9757996 -2.76909995 5.782499790- 15.2372999 -4.66909981 4.499899860. 14.8573999 -3.08599997 4.626800060/ 14.3423996 -3.26320004 6.765600200 14.1752996 -4.85150003 6.4253001201 19.1863995 -3.0387001 4.6774001102 18.6620998 -1.54620004 4.2718000403 18.8204994 -2.2499001 1.9279999704 20.2612991 -2.08719993 2.6793000705 18.7555008 -5.20469999 3.7311999806 18.4664993 -5.69159985 2.1995999807 17.1676006 -3.6703999 1.8811999608 16.5130005 -4.69099998 2.974999909 20.0895004 -5.12739992 0.5547000170: 19.0844994 -3.85640001 0.3515999910; 20.6907997 -3.60969996 0.5116999750< -0.780649364 -5.29142714 22.6420994 -3.51250005 3.56089997063          ! "!#"$#%$&%' &( ')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>20 OSA$ee9bf7c7-8535-4652-9621-50fd61b0779f61 0.860969782 6.5116910911.3834 -0.89819997511.0990 1.72844267 6.0142068911.6847 -1.40260005 9.697099690 2.59301329 6.51671791 12.5037003 -0.362899989 8.949700360 1.73134482 5.01421118 12.4708996 -2.70020008 9.783699990 0.867477179 4.51043034 13.7384005 -2.76629996 9.214200020 0.866025567 3.51040006 14.4577999 -3.95420003 9.293700220 1.73728263 3.00906348 13.9153996 -5.0630002 9.935999870 2.60999107 3.5077571912.6475 -4.98740005 10.50220010 2.60260177 4.5128746 11.9221001 -3.8036000710.4270 3.46641827 5.01668119 10.6934996 -3.74559999 10.98099990 1.73578286 2.0090646714.5962 -6.2256999 10.02490040 3.81565997e-08 3.0104003 15.7775002 -4.00549984 8.694399830 -0.866025269 3.5104003 16.7681007 -3.70469999 9.36040020 -1.96808557e-07 2.0104003 15.9245005 -4.39650011 7.360199930 -0.867500067 1.50270009 17.1779995 -5.07149982 6.987899780 -0.867500007 0.497500002 17.5716991 -4.74170017 5.55700016000 16.8376007 -3.49119997 5.104700090 0.867500126 0.497500539 15.3586998 -3.84159994 5.048200130 0.867499888 1.50270057 14.8157997 -4.08389997 6.4457998301.06404087e-07-1 17.3439999 -3.03010011 3.803100110 -0.867499709 -1.50770056 18.7015991 -2.50359988 3.98550010 -0.867498994 -2.51290059 19.4144001-2.6178 2.6433999501.33778826e-06 -3.0104000619.7514 -4.06510019 2.310499910 0.86750102 -2.5128994 18.5739002 -4.89709997 2.797199960 0.867500424 -1.50769949 17.2863007 -4.08690023 2.782599930 0.642048001 -3.77706575 19.9183006 -4.17399979 0.803099990 -0.642044485 -3.77706623 21.0091991 -4.54349995 3.016200070 -1.62701988 -3.60437155 20.9563999 -5.47529984 3.770499940 -0.299114943 -4.71642733 22.1511993 -3.9388001 2.801100020 12.2413998 -0.736199975 11.58650020 10.8660002 -0.0443000011 11.04199980 10.8445997 -1.58220005 11.59070010  10.8267002 -1.56459999 9.209600450! 12.7018995 -0.694700003 8.027400020" 11.9863005 0.490999997 8.89270020# 13.3615999 -0.200900003 9.437199590$14.1278-1.9691 8.752900120% 12.2574997 -5.78439999 10.96329980& 3.46311736 5.76667404 10.1288004 -4.56930017 11.03219990' 2.38473868 1.63309097 14.4506998 -6.8317999810.80690( 17.0545998 -6.06010008 7.073299880) 17.9060001 -4.77190018 7.604400160* 18.5580997 -4.58419991 5.510700230+ 17.3276997 -5.50579977 4.959700110, 16.9757996 -2.76909995 5.782499790- 15.2372999 -4.66909981 4.499899860. 14.8573999 -3.08599997 4.626800060/ 14.3423996 -3.26320004 6.765600200 14.1752996 -4.85150003 6.4253001201 19.1863995 -3.0387001 4.6774001102 18.6620998 -1.54620004 4.2718000403 18.8204994 -2.2499001 1.9279999704 20.2612991 -2.08719993 2.6793000705 18.7555008 -5.20469999 3.7311999806 18.4664993 -5.69159985 2.1995999807 17.1676006 -3.6703999 1.8811999608 16.5130005 -4.69099998 2.974999909 20.0895004 -5.12739992 0.5547000170: 19.0844994 -3.85640001 0.3515999910; 20.6907997 -3.60969996 0.5116999750< -0.780649364 -5.29142714 22.6420994 -3.51250005 3.56089997063          ! "!#"$#%$&%' &( ')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>20H9b2e7743-e8e5-4d5b-88d4-61261ed54544H9b2e7743-e8e5-4d5b-88d4-61261ed54544Kd}M@!AJ?Wd@?p?Wd@?[@?H@?[@?8`?H@?8`ƀx@?@ 픠?z ?@?ӂ?@ ?ý?@?~7@?@ý?Wd@?c`ґpd@?حݠ0Cbc@.otFCc.b: 8RA͎|s C12H24N2Oiei,Lyvt?ݝ+?ɠ-?e 8Bqi?z?z?z?Q?z?Qzz??z??z??z?z?z?z?z?Rhigh?Glow?\ 85ڄHܨ'UMB@`@@W DW D?(L ?ˀ?܀?kpg?kp?N?tS@?tS@i@?k'@ `?TҺ}^F2_Ж-?zz?z?z?z?z?zPz?zzPzz?yes? =no? 8w(CAg1312#F.AõmYSecondary Amines:Fragment1_080I{jgH44bb2bca-7f0e-46e0-ab9d-88e7c3622bd16%ёW-pS D٨nJ7@(@?F@?q.G,x8qG,q.?Zs> ?|⃠s> ?`!@?bրv?bj@ CB<00? ?q`? ???e??Ġ`?Pò?Цd @?6??6i??6i??v?<?a?@?a?<?G@?"@5?@j/ KP>PS vhttps://www.emolecules.com/cgi-bin/find?id=70099268*@^?G?G?G?G??G??G?Glow?high? medium?very high?8C Xcu3BlRO@Z/՞PLife Chemicals - UA Backorder3HDeC|mgj%UCc)463ɤ߇GꚒ<USDҒtHs Z?M?')?8@ 2C9 pKi?*2D6 affinity category?BBB category?' 0BBB log([brain]:[blood])?^6FlexX Score 2XJX XJX_A_1232?THIA category?k`P-gp category?@PPB90 category?O hERG pIC50?RlogP?logS?TwC#<-SA MFCD29997453`jfFow{v\ preferredm IEۜ.MOE 70099268bRƾDBB F1907-6955yNq+xhttps://www.emolecules.com/cgi-bin/more?vid=70099268c#r@G|C250jKJAodbCC(C)c1cc(c(cc1O)O)C(=O)N2CCC(CC2)N3CCC(CC3)(C)COrO]+q|4_5"7P]+ " r[9· ]n)eau~ٶ%.vX>/(ARɓ Ԩ$Km)OSA$4fe1164b-a091-40d9-9603-5fd51917e9c362 -7.51316071 0.85060733611.2114 -0.813899994 11.50090030 -7.01688194 1.71877038 11.4883003 -1.23399997 10.06659980 -7.52059364 2.58264208 12.3133001-0.1611 9.374699590 -6.01689148 1.72306168 12.2568998 -2.54570007 10.06219960 -5.51191092 0.859894633 13.5153999 -2.58400011 9.470399860 -4.51187992 0.859832168 14.2278004 -3.77870011 9.460100170 -4.01175356 1.73178518 13.6870003 -4.92390013 10.03629970 -4.51165915 2.60379982 12.4280996 -4.87809992 10.62660030 -5.51676559 2.5950141 11.7089005 -3.68650007 10.64039990 -6.02177143 3.45813012 10.4878998 -3.6421001 11.21290020 -3.01175356 1.73167455 14.3603001 -6.09429979 10.03800010 -4.01067734-0.00549797667 15.5380001 -3.79999995 8.838600160 -4.5094738 -0.872217 16.5407009 -3.55060005 9.507699970 -3.01067829-0.0041091213915.6622 -4.10389996 7.479599950 -2.50418425 0.86409539 16.9726009 -4.13460016 6.817699910 -1.49898517 0.865492105 16.8530006 -5.0539999 5.614999770 -1.00028002-0.00131629664 15.9502001-4.3283 4.630799770 -1.49657452 -0.869506538 14.7033005 -3.77959991 5.312200070 -2.5017736 -0.870902896 14.4659996 -4.39510012 6.681099890-0.000281004875 7.2900184e-05 15.6135998 -5.18510008 3.483799930 0.50621295 0.868277609 14.1632996 -5.40850019 3.354399920 1.51141191 0.869674683 13.8065004 -6.15959978 2.07820010 2.01011705 0.0028670569915.0232 -6.76039982 1.385699990 2.77588987 0.645978153 15.8297005 -5.7494998 0.5814999940 1.51382339 -0.865323603 15.8170004 -7.44269991 2.49149990 0.508624315 -0.866720855 16.3222008 -6.471000193.54740 2.77767467 -0.63811308114.5316 -7.82210016 0.4154999850 3.71655869 -0.293878853 13.3305998 -8.39589977 0.9103000160 12.0774002 -0.694500029 11.98639970 10.7058001 0.0489000008 11.50380040 10.6686001 -1.51979995 11.95610050 10.6223001 -1.35350001 9.581100460  12.4954996-0.4375 8.431099890! 11.8078003 0.701699972 9.377599720" 13.1793003 -0.0417000018 9.860300060# 13.9040003-1.7608 9.056500430$ 12.0398998 -5.70130014 11.04100040% -6.77175903 3.45378757 9.67249966 -3.8354001 10.66730020& -2.63668156 2.38115239 14.2220001 -6.74959993 10.78059960' 17.6657009 -4.48460007 7.447800160( 17.2269001 -3.21429992 6.520299910) 17.7523994 -5.21600008 5.209099770* 16.4459991 -5.92729998 5.882900240+ 16.4638996 -3.5466001 4.277200220, 13.9111004 -3.97189999 4.73299980- 14.8058004 -2.79069996 5.419199940.13.658 -3.98860002 7.107699870/ 14.3375998 -5.38339996 6.5984001200 13.7006998 -4.52199984 3.3459999601 13.8485003 -5.94129992 4.1399998702 13.1731997 -6.89830017 2.3089001203 13.3614998 -5.52390003 1.447399970415.2465 -5.34030008 -0.12020000105 16.1697998 -5.03359985 1.1913000306 16.6023006 -6.21080017 0.14540000307 16.6033993 -7.90430021 2.0810000908 15.2285995 -8.11830044 2.9358000809 16.1828003 -6.87370014 4.45209980: 17.2982998 -6.31110001 3.400500060; 14.3585997 -7.40420008 -0.4763999880< 15.2269001 -8.53450012 0.3206000030= 4.29222679 -0.774613976 13.5036001 -8.81379986 1.80219996064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jg OSA$4fe1164b-a091-40d9-9603-5fd51917e9c362 -7.51316071 0.85060733611.2114 -0.813899994 11.50090030 -7.01688194 1.71877038 11.4883003 -1.23399997 10.06659980 -7.52059364 2.58264208 12.3133001-0.1611 9.374699590 -6.01689148 1.72306168 12.2568998 -2.54570007 10.06219960 -5.51191092 0.859894633 13.5153999 -2.58400011 9.470399860 -4.51187992 0.859832168 14.2278004 -3.77870011 9.460100170 -4.01175356 1.73178518 13.6870003 -4.92390013 10.03629970 -4.51165915 2.60379982 12.4280996 -4.87809992 10.62660030 -5.51676559 2.5950141 11.7089005 -3.68650007 10.64039990 -6.02177143 3.45813012 10.4878998 -3.6421001 11.21290020 -3.01175356 1.73167455 14.3603001 -6.09429979 10.03800010 -4.01067734-0.00549797667 15.5380001 -3.79999995 8.838600160 -4.5094738 -0.872217 16.5407009 -3.55060005 9.507699970 -3.01067829-0.0041091213915.6622 -4.10389996 7.479599950 -2.50418425 0.86409539 16.9726009 -4.13460016 6.817699910 -1.49898517 0.865492105 16.8530006 -5.0539999 5.614999770 -1.00028002-0.00131629664 15.9502001-4.3283 4.630799770 -1.49657452 -0.869506538 14.7033005 -3.77959991 5.312200070 -2.5017736 -0.870902896 14.4659996 -4.39510012 6.681099890-0.000281004875 7.2900184e-05 15.6135998 -5.18510008 3.483799930 0.50621295 0.868277609 14.1632996 -5.40850019 3.354399920 1.51141191 0.869674683 13.8065004 -6.15959978 2.07820010 2.01011705 0.0028670569915.0232 -6.76039982 1.385699990 2.77588987 0.645978153 15.8297005 -5.7494998 0.5814999940 1.51382339 -0.865323603 15.8170004 -7.44269991 2.49149990 0.508624315 -0.866720855 16.3222008 -6.471000193.54740 2.77767467 -0.63811308114.5316 -7.82210016 0.4154999850 3.71655869 -0.293878853 13.3305998 -8.39589977 0.9103000160 12.0774002 -0.694500029 11.98639970 10.7058001 0.0489000008 11.50380040 10.6686001 -1.51979995 11.95610050 10.6223001 -1.35350001 9.581100460  12.4954996-0.4375 8.431099890! 11.8078003 0.701699972 9.377599720" 13.1793003 -0.0417000018 9.860300060# 13.9040003-1.7608 9.056500430$ 12.0398998 -5.70130014 11.04100040% -6.77175903 3.45378757 9.67249966 -3.8354001 10.66730020& -2.63668156 2.38115239 14.2220001 -6.74959993 10.78059960' 17.6657009 -4.48460007 7.447800160( 17.2269001 -3.21429992 6.520299910) 17.7523994 -5.21600008 5.209099770* 16.4459991 -5.92729998 5.882900240+ 16.4638996 -3.5466001 4.277200220, 13.9111004 -3.97189999 4.73299980- 14.8058004 -2.79069996 5.419199940.13.658 -3.98860002 7.107699870/ 14.3375998 -5.38339996 6.5984001200 13.7006998 -4.52199984 3.3459999601 13.8485003 -5.94129992 4.1399998702 13.1731997 -6.89830017 2.3089001203 13.3614998 -5.52390003 1.447399970415.2465 -5.34030008 -0.12020000105 16.1697998 -5.03359985 1.1913000306 16.6023006 -6.21080017 0.14540000307 16.6033993 -7.90430021 2.0810000908 15.2285995 -8.11830044 2.9358000809 16.1828003 -6.87370014 4.45209980: 17.2982998 -6.31110001 3.400500060; 14.3585997 -7.40420008 -0.4763999880< 15.2269001 -8.53450012 0.3206000030= 4.29222679 -0.774613976 13.5036001 -8.81379986 1.80219996064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jghxc```d`0`̐`` @.4bc Od0,b`dH !PX 6!퀙V?N/rbQޥ_@2Hb3a7995a-5753-4aa0-8783-cad1b68365df .OSA$a897c7de-c45c-415c-93d9-fbbe88bfe93f62 -7.51316071 0.850607336 11.4055996 -0.865499973 11.05389980 -7.01688194 1.71877038 11.7051001 -1.40069997 9.663100240 -7.52059364 2.58264208 12.5396996 -0.386200011 8.898599620 -6.01689148 1.7230616812.4747 -2.70679998 9.777700420 -5.51191092 0.859894633 13.7421999 -2.79060006 9.210300450 -4.51187992 0.859832168 14.4556999 -3.98070002 9.308500290 -4.01175356 1.73178518 13.9070997 -5.07609987 9.968000410 -4.51165915 2.60379982 12.6391001-4.9849 10.53320030 -5.51676559 2.5950141 11.9188004 -3.79769993 10.43859960 -6.02177143 3.45813012 10.6890001 -3.70930004 10.98680020 -3.01175356 1.73167455 14.5811996 -6.24109983 10.07559970 -4.01067734-0.00549797667 15.7754002 -4.04990005 8.711000440 -4.5094738 -0.872217 16.7674007 -3.74460006 9.372799870 -3.01067829-0.00410912139 15.9208002 -4.46350002 7.383399960 -2.5017736 -0.870902896 17.1702003 -5.15220022 7.022999760 -1.49657452 -0.869506538 17.5669994 -4.84819984 5.587299820 -1.00028002-0.00131629664 16.8409996-3.6006 5.114200120 -1.49898517 0.865492105 15.3599997 -3.94260001 5.062399860 -2.50418425 0.86409539 14.8147001 -4.15880013 6.463300230-0.000281004875 7.2900184e-05 17.3511009-3.1638 3.805700060 0.50621295 0.868277609 18.7119007 -2.64289999 3.980499980 1.51141191 0.869674683 19.4248009 -2.78340006 2.641000030 2.01011705 0.00286705699 19.7528992 -4.23789978 2.331899880 2.77588987 0.645978153 19.9200993 -4.37230015 0.8266000150 1.51382339 -0.865323603 18.5699005 -5.05459976 2.831099990 0.508624315 -0.866720855 17.2873993 -4.23659992 2.802400110 2.77767467 -0.638113081 21.0072002 -4.71269989 3.04609990 3.71655869 -0.293878853 22.1121006 -3.91810012 2.64089990 12.2638998 -0.704900026 11.54119970 10.8993998-0.00639999984 10.97850040 10.8564997 -1.53289998 11.55679990 10.8466997 -1.56130004 9.175800320  12.7367001 -0.738300025 7.983600140! 12.0334997 0.472900003 8.823300360" 13.3979998 -0.225700006 9.385899540# 14.1365004 -2.00320005 8.736499790$ 12.2453003 -5.77229977 11.00739960% -6.77175903 3.45378757 9.88230038 -3.94819999 10.44629960& -2.63668156 2.38115239 14.4320002 -6.83379984 10.86709980' 17.0405998 -6.13850021 7.124400140( 17.8997993 -4.84719992 7.635200020) 18.5543995 -4.69759989 5.539100170* 17.3185997 -5.62029982 5.002299790+ 16.9832993 -2.86849999 5.78039980, 15.2336998 -4.77810001 4.527500150- 14.8635998 -3.19079995 4.628399850. 14.3463001 -3.32999992 6.769400120/ 14.1693001 -4.92259979 6.4548001300 19.1928005 -3.16969991 4.6813001601 18.6781998 -1.68079996 4.2512998602 18.8335991 -2.42330003 1.9192999603 20.2749004 -2.25760007 2.6689000104 20.0853996 -5.33059978 0.59380000805 19.0886002 -4.05679989 0.36930000806 20.6963005 -3.81769991 0.52660000307 18.7490005 -5.34810019 3.7702000108 18.4578991 -5.8579998 2.2464001209 17.1718998 -3.83410001 1.894299980: 16.5102005 -4.83269978 3.004100080; 20.8803005 -4.62799978 4.034399990< 21.1814995 -5.669499872.81320= 4.29222679 -0.774613976 22.5039997 -3.46029997 3.43899989064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgkxc```d`0`I@h i  @ 6 )@$3eR 2^X`.+]%@2H44bb2bca-7f0e-46e0-ab9d-88e7c3622bd1 $OSA$c500f7b9-5218-4e87-ab75-ad626826c1df62 -7.51316071 0.850607336 11.3268995 -0.737399995 11.53919980 -7.01688194 1.71877038 11.5423002 -1.19480002 10.10579970 -7.52059364 2.58264208 12.3695002 -0.158800006 9.362199780 -6.01689148 1.72306168 12.2764997 -2.52609992 10.10350040 -5.51191092 0.859894633 13.5118999-2.6099 9.469300270 -4.51187992 0.859832168 14.1927996 -3.82290006 9.46059990 -4.01175356 1.73178518 13.6436005 -4.94110012 10.08030030 -4.51165915 2.60379982 12.4078999 -4.8496999710.71280 -5.51676559 2.5950141 11.7202997 -3.6396000410.72540 -6.02177143 3.45813012 10.5216999 -3.55110002 11.33880040 -3.01175356 1.73167455 14.2863998 -6.12849998 10.08440020 -4.01067734-0.00549797667 15.4792995 -3.89179993 8.794599530 -4.5094738 -0.872217 16.5109997 -3.65479994 9.42290020 -3.01067829-0.00410912139 15.5476999 -4.22739983 7.439199920 -2.5017736 -0.870902896 16.7306995 -4.92700005 6.917900090 -1.49657452 -0.869506538 16.8153992 -4.62909985 5.431399820 -1.00028002-0.00131629664 15.6237001 -5.33389997 4.795700070 -1.49898517 0.865492105 14.3114004 -5.00139999 5.493299960 -2.50418425 0.86409539 14.4432001 -3.89219999 6.527400020-0.000281004875 7.2900184e-05 15.5493002 -5.04939985 3.354799990 0.508624315 -0.866720855 16.6390991 -5.70300007 2.614300010 1.51382339 -0.865323603 16.1693993 -7.07579994 2.158799890 2.01011705 0.00286705699 15.1069002 -6.96649981 1.075999980 2.77588987 0.645978153 15.7182999 -6.90320015 -0.3161999880 1.51141191 0.869674683 14.3648005 -5.66309977 1.340800050 0.50621295 0.868277609 14.2273998 -5.42990017 2.838200090 2.77767467 -0.638113081 14.2002001 -8.18449974 1.168499950 3.71655869 -0.293878853 14.9408998 -9.28919983 1.665899990 12.2123003 -0.63059997611.99160 10.8439999 0.13830000211.54070 10.7826996 -1.41900003 12.02840040 10.6569004-1.3017 9.653400420 12.5112 -0.459800005 8.419099810! 11.8865995 0.716799974 9.363699910"13.2549 -0.0520000011 9.814599990#13.9066 -1.80610001 9.024200440$ 12.0136003 -5.65350008 11.15839960% -6.77175903 3.45378757 9.68290043 -3.7342999 10.82610030& -2.63668156 2.38115239 14.1576996 -6.76410007 10.84560010' 16.6375999 -5.91179991 7.064499860( 17.5540009 -4.59759998 7.380099770) 16.7628994 -3.64350009 5.270599840* 17.6709995 -4.98330021 5.053800110+ 15.7723999 -6.31759977 4.896599770, 13.9783001 -5.82509995 5.952199940- 13.6485004 -4.71369982 4.802100180. 14.6370001 -3.02519989 6.068299770/ 13.5916004 -3.8118999 7.0454001400 17.4372997 -5.80130005 3.2086999401 16.8829002 -5.1500001 1.8176000102 16.9512005 -7.58400011 1.7976000303 15.7867002 -7.56540012 2.9421999504 14.9896002 -6.83199978 -0.99730002905 16.3153992 -6.10379982 -0.38199999906 16.2514992 -7.7322998 -0.48399999707 13.4546003 -5.71210003 0.92940002708 14.8740997 -4.90479994 0.93389999909 13.5705996 -4.69570017 3.009599920: 13.9152002 -6.26779985 3.286000010;13.4396 -7.98759985 1.787099960< 13.8432999 -8.40410042 0.2606000010= 4.29222679 -0.774613976 14.5279999 -9.61100006 2.51789999064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgixc```d`0`) @:AHY&@T̀!JB3c$1P4 6=`9\M` \nXw/s Y@2Hb4bd14c7-9875-4867-902e-dd63cb732fc5 0OSA$a4a06b84-b333-4741-bfd0-819695a1139e62 -7.51316071 0.850607336 11.2957001 -0.859099984 11.54790020 -7.01688194 1.71877038 11.4717999 -1.31029999 10.10709950 -7.52059364 2.58264208 12.2474003 -0.254299998 9.336700440 -6.01689148 1.72306168 12.2370996 -2.62360001 10.07740020 -5.51191092 0.859894633 13.4512997 -2.67740011 9.400300030 -4.51187992 0.859832168 14.1602001 -3.8736999 9.366000180 -4.01175356 1.73178518 13.6599998 -5.00509977 10.00290010 -4.51165915 2.60379982 12.4453001 -4.94379997 10.67829990 -5.51676559 2.5950141 11.7298002 -3.75049996 10.71660040 -6.02177143 3.45813012 10.5516005 -3.69109988 11.37160020 -3.01175356 1.73167455 14.3308001 -6.17679977 9.982899670 -4.01067734-0.00549797667 15.4239998 -3.91129994 8.655500410 -4.5094738 -0.872217 16.4710999 -3.6500001 9.247699740 -3.01067829-0.00410912139 15.4530001 -4.24429989 7.297999860 -2.50418425 0.86409539 16.6334991 -4.9151001 6.734799860 -1.49898517 0.865492105 16.6590996 -4.61429977 5.246600150 -1.00028002-0.00131629664 15.4631996 -5.34709978 4.651899810 -1.49657452 -0.869506538 14.1683998 -5.04659986 5.395400050 -2.5017736 -0.870902896 14.3095999 -3.93510008 6.425799850-0.000281004875 7.2900184e-05 15.3317003 -5.06349993 3.214900020 0.50621295 0.868277609 13.9125996 -5.13719988 2.848099950 1.51141191 0.869674683 13.7220001 -4.27559996 1.605700020 2.01011705 0.00286705699 13.8175001 -2.79169989 1.934000020 2.77588987 0.64597815314.1833 -2.05060005 0.6577000020 1.51382339 -0.865323603 14.9123001 -2.65930009 2.982500080 0.508624315 -0.866720855 15.9378996 -3.77509999 2.848900080 2.77767467 -0.638113081 12.5235004 -2.2420001 2.510299920 3.71655869 -0.293878853 12.2058001 -2.93650007 3.707400080 12.1934996 -0.731299996 11.96930030 10.7923002 0.00480000023 11.56750010 10.7854004 -1.5537999912.05480 10.5740004 -1.43809998 9.68579960  12.3633003 -0.551199973 8.388799670! 11.7440996 0.609499991 9.356200220" 13.1452999 -0.126499996 9.758000370# 13.8107996 -1.86409998 8.942799570$ 12.0861998 -5.75699997 11.13630010% -6.77175903 3.45378757 9.69999981 -3.89409995 10.88829990& -2.63668156 2.38115239 14.2440004 -6.8157000510.74720' 16.5692005 -5.90189981 6.883100030( 17.4643002 -4.56629992 7.168399810) 16.5774002 -3.63010001 5.089200020* 17.5091991 -4.94759989 4.838900090+ 15.6387997 -6.3270998 4.746099950, 13.8713999 -5.87830019 5.864399910- 13.4750996 -4.77449989 4.728099820. 14.4665003 -3.06349993 5.961400030/ 13.4750004-3.8757 6.9732999800 13.3471003 -4.78950024 3.5959999601 13.6585999 -6.08400011 2.6505999602 14.4300003 -4.50680017 0.93839997103 12.8211002 -4.46439981 1.214699980414.3027 -1.07850003 0.85920000105 15.0356998 -2.4217999 0.28929999506 13.4520998 -2.16420007 -0.014999999707 14.4996996 -2.70239997 3.8924000308 15.3711004 -1.77839994 2.8659000409 16.2593994 -3.81739998 1.902899980: 16.7105999 -3.58870006 3.455600020; 12.6343002 -1.26830006 2.709300040< 11.7847004 -2.36479998 1.847599980= 4.29222679 -0.774613976 11.3542004 -2.57480001 4.08669996064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgjxc```d`0``` )@̠` F`VXV!!`0ʛI *K `xzO?N/rbQޥ_I@2H97110d0c-44a2-4f71-be37-c85a458295c1 %OSA$9de82464-a1b4-4895-86a1-ce27150082a262 -7.51316071 0.850607336 11.5637999 -0.594099998 11.33590030 -7.01688194 1.71877038 11.7389002 -1.13610005 9.926699640 -7.52059364 2.58264208 12.5839996 -0.169400007 9.113300320 -6.01689148 1.72306168 12.4314003 -2.48819995 9.986200330 -5.51191092 0.859894633 13.6520004 -2.64599991 9.337400440 -4.51187992 0.859832168 14.2947998 -3.87870002 9.384699820 -4.01175356 1.73178518 13.7227001 -4.94309998 10.07439990 -4.51165915 2.60379982 12.5019999 -4.77790022 10.72109990 -5.51676559 2.595014111.8525 -3.54769993 10.67780020 -6.02177143 3.45813012 10.6686001 -3.38739991 11.30500030 -3.01175356 1.73167455 14.3283997 -6.14839983 10.13379960 -4.01067734-0.00549797667 15.5662003 -4.0250001 8.702599530 -4.5094738 -0.872217 16.6159992 -3.78679991 9.299699780 -3.01067829-0.00410912139 15.5995998 -4.43650007 7.366899970 -2.5017736 -0.87090289616.7423-5.2026 6.844900130 -1.49657452 -0.869506538 17.0074005 -4.77029991 5.408999920 -1.00028002-0.00131629664 15.7670002 -4.81759977 4.525599960 -1.49898517 0.865492105 14.4940996 -5.10580015 5.311100010 -2.50418425 0.8640953914.493 -4.10669994 6.455900190-0.000281004875 7.2900184e-05 15.9282999 -5.77559996 3.421400070 0.508624315 -0.866720855 14.6101999 -6.31799984 3.072099920 1.51382339 -0.865323603 14.6815996 -6.77890015 1.621299980 2.01011705 0.00286705699 14.7272997 -5.59810019 0.6608999970 2.77588987 0.645978153 15.3492002 -6.07569981 -0.6419000030 1.51141191 0.869674683 15.5923004 -4.54040003 1.330600020 0.50621295 0.868277609 16.6105995 -5.17579985 2.265500070 2.77767467 -0.638113081 13.3508997 -5.00829983 0.402900010 3.71655869 -0.293878853 12.7924995 -4.55609989 1.627699970 12.4601002 -0.490799993 11.76710030 11.1083002 0.295300007 11.29669950 11.0078001 -1.23010004 11.87100030 10.8425999 -1.23940003 9.495499610  12.6991997 -0.526000023 8.186200140!12.1285 0.720000029 9.074199680" 13.4802999 -0.0661000013 9.544500350# 14.0630999 -1.88090003 8.842000010$12.0913 -5.5430002211.2170% -6.77175903 3.45378757 9.88469982 -3.95140004 11.04520030& -2.63668156 2.38115239 14.1940002 -6.73680019 10.93109990' 16.5307007 -6.1796999 6.868199830( 17.5512009 -5.02330017 7.40469980) 17.3540993 -3.83229995 5.419000150* 17.6989994 -5.37720013 5.017499920+ 15.6618996 -3.91129994 4.116300110, 14.5044003 -6.04169989 5.66319990- 13.6887999 -4.9762001 4.732500080. 14.6169004 -3.18190002 6.096199990/ 13.6241999 -4.15920019 6.9482002300 13.9110003 -5.61019993 3.172499901 14.3894997 -7.09119987 3.6665999902 15.5057001 -7.33129978 1.4962999803 13.8746996 -7.33300018 1.4164999704 15.4376001 -5.3039999 -1.271700020516.2535 -6.46099997 -0.45800000406 14.7657003 -6.77610016 -1.0527000407 15.0059996 -3.92440009 1.8566000508 16.0755997 -4.02019978 0.6265000109 17.1138992 -5.88600016 1.773100020: 17.2488995 -4.475399972.58480; 13.4314003 -4.23890018 -0.2309000050< 12.7578001 -5.70779991 0.004300000150= 4.29222679 -0.774613976 11.7960997 -4.62979984 1.58710003064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgfxc```d`0`f @hƠ`ʐ @ 6%! 3&$ mI>`p o5` \nXw/s@2Hda226776-5c58-4536-bb53-c4736a7b684c OSA$63a85653-2ff9-42a1-92f2-ba56d28ef75562 -7.51316071 0.850607336 11.5641003 -0.44470000311.24860 -7.01688194 1.71877038 11.8661003 -0.920700014 9.837100030 -7.52059364 2.58264208 12.7994003 0.0680999979 9.157699580 -6.01689148 1.72306168 12.5300999 -2.28719997 9.894200330 -5.51191092 0.859894633 13.8050003 -2.43659997 9.357700350 -4.51187992 0.859832168 14.4223003 -3.68230009 9.404000280 -4.01175356 1.73178518 13.7712002 -4.76779985 9.981499670 -4.51165915 2.6037998212.4965 -4.61079979 10.51640030 -5.51676559 2.5950141 11.8719997 -3.367700110.47330 -6.02177143 3.45813012 10.6357002 -3.21550012 10.99199960 -3.01175356 1.73167455 14.3508997 -5.98600006 10.03769970 -4.01067734-0.00549797667 15.7511997 -3.81949997 8.839699750 -4.5094738 -0.872217 16.7420998 -3.63089991 9.54549980 -3.01067829-0.00410912139 15.9069996 -4.16610003 7.494299890 -2.5017736 -0.870902896 17.0897999 -4.92729998 7.067500110 -1.49657452 -0.869506538 17.3040009 -4.64260006 5.591400150 -1.00028002-0.00131629664 16.1308002 -5.29050016 4.866799830 -1.49898517 0.865492105 14.7870998 -4.88840008 5.460100170 -2.50418425 0.86409539 14.8944998 -3.78119993 6.499100210-0.000281004875 7.2900184e-05 16.1823006 -5.01100016 3.423899890 0.50621295 0.86827760916.7409 -6.18139982 2.736999990 1.51141191 0.869674683 16.2313004 -6.1480999 1.301200030 2.01011705 0.00286705699 14.7510996 -6.49749994 1.224699970 2.77588987 0.645978153 14.1967001 -5.9145999 -0.06560000030 1.51382339 -0.865323603 14.1014004 -5.85860014 2.443300010 0.508624315 -0.866720855 14.8685999 -4.62300014 2.889699940 2.77767467 -0.638113081 14.5071001 -7.99650002 1.273599980 3.71655869 -0.293878853 13.1121998 -8.2517004 1.198400020 12.4161997 -0.379799992 11.76799960 11.1273003 0.454100013 11.21100040 10.9499998 -1.09519994 11.69559960 11.0139999 -0.985599995 9.317700390  12.9981003 -0.245100006 8.229000090! 12.3627005 0.966899991 9.120100020" 13.6514997 0.133000001 9.677000050# 14.2728996 -1.65629995 8.942799570$ 12.0290003 -5.39120007 10.93169980% -6.77175903 3.45378757 9.87240028 -3.7509999310.63060& -2.63668156 2.38115239 14.1318998 -6.6097998610.78790'16.9361 -5.90530014 7.208300110( 17.8906002 -4.63689995 7.591300010) 17.3138008-3.6566 5.425099850* 18.1671009 -5.04150009 5.281899930+ 16.2215004 -6.27979994 4.980800150, 14.3783998 -5.69169998 5.893400190- 14.1948996 -4.571899894.71910. 15.1667004 -2.92770004 6.05469990/ 14.0106001 -3.6552999 6.9495000800 16.4377003 -7.02050018 3.1886000601 17.7399006 -6.13980007 2.7469000802 16.3679008 -5.22989988 0.92940002703 16.7493992 -6.80830002 0.7573999760413.2128 -6.08699989 -0.1134999990514.3638 -4.92889977 -0.08489999920614.6489 -6.34469986 -0.84700000307 14.0874004 -6.52209997 3.191299920813.1643 -5.59569979 2.2133998909 14.9963999 -4.01249981 2.108099940: 14.3487997 -4.14970016 3.600899930; 14.9681997 -8.43470001 0.5019999740< 14.8676004 -8.36509991 2.130399940= 4.29222679 -0.774613976 12.8178997 -8.74009991 2.01990008064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgkxc```d`0`` ĉ ) @1 _-`T|$Ӏ9)PL>`,(crX`.+]M@2Hc74e4a9d-8c04-487e-8eaf-bffb7650620c  OSA$d938c65d-b1b7-4c67-8180-1d945538a56d62 -7.51316071 0.850607336 11.5641003 -0.44470000311.24860 -7.01688194 1.71877038 11.8661003 -0.920700014 9.837100030 -7.52059364 2.58264208 12.7994003 0.0680999979 9.157699580 -6.01689148 1.72306168 12.5300999 -2.28719997 9.894200330 -5.51191092 0.859894633 13.8050003 -2.43659997 9.357700350 -4.51187992 0.859832168 14.4223003 -3.68230009 9.404000280 -4.01175356 1.73178518 13.7712002 -4.76779985 9.981499670 -4.51165915 2.6037998212.4965 -4.61079979 10.51640030 -5.51676559 2.5950141 11.8719997 -3.367700110.47330 -6.02177143 3.45813012 10.6357002 -3.21550012 10.99199960 -3.01175356 1.73167455 14.3508997 -5.98600006 10.03769970 -4.01067734-0.00549797667 15.7511997 -3.81949997 8.839699750 -4.5094738 -0.872217 16.7420998 -3.63089991 9.54549980 -3.01067829-0.00410912139 15.9069996 -4.16610003 7.494299890 -2.5017736 -0.870902896 17.0897999 -4.92729998 7.067500110 -1.49657452 -0.869506538 17.3040009 -4.64260006 5.591400150 -1.00028002-0.00131629664 16.1308002 -5.29050016 4.866799830 -1.49898517 0.865492105 14.7870998 -4.88840008 5.460100170 -2.50418425 0.86409539 14.8944998 -3.78119993 6.499100210-0.000281004875 7.2900184e-05 16.1823006 -5.01100016 3.423899890 0.50621295 0.868277609 16.7343006 -6.14639997 2.669300080 1.51141191 0.86967468315.592 -7.05569983 2.243999960 2.01011705 0.00286705699 14.7243004 -6.395899771.18320 2.77588987 0.645978153 15.2382002 -6.67000008-0.22270 1.51382339 -0.865323603 14.8009005 -4.89750004 1.445299980 0.508624315 -0.866720855 14.8486996 -4.6262002 2.941800120 2.77767467 -0.638113081 13.3099003 -6.940499781.31320 3.71655869 -0.293878853 13.3249998 -8.34749985 1.122300030 12.4161997 -0.379799992 11.76799960 11.1273003 0.454100013 11.21100040 10.9499998 -1.09519994 11.69559960 11.0139999 -0.985599995 9.317700390  12.9981003 -0.245100006 8.229000090! 12.3627005 0.966899991 9.120100020" 13.6514997 0.133000001 9.677000050# 14.2728996 -1.65629995 8.942799570$ 12.0290003 -5.39120007 10.93169980% -6.77175903 3.45378757 9.87240028 -3.7509999310.63060& -2.63668156 2.38115239 14.1318998 -6.6097998610.78790'16.9361 -5.90530014 7.208300110( 17.8906002 -4.63689995 7.591300010) 17.3138008-3.6566 5.425099850* 18.1671009 -5.04150009 5.281899930+ 16.2215004 -6.27979994 4.980800150, 14.3783998 -5.69169998 5.893400190- 14.1948996 -4.571899894.71910. 15.1667004 -2.92770004 6.05469990/ 14.0106001 -3.6552999 6.9495000800 17.3717003-6.6559 3.2474000501 17.2148991 -5.80970001 1.8595999502 15.9714003 -7.90329981 1.8732000603 15.0275002 -7.26440001 3.0425999204 14.6428003 -6.22049999 -0.88870000805 16.1681995 -6.31360006 -0.3131000106 15.2412996 -7.65579987 -0.39019998907 13.9949999 -4.45249987 1.0547000208 15.6258001 -4.529099941.016509 14.6906004 -3.65440011 3.116899970: 14.1487999 -5.16709995 3.408400060; 12.9546003 -6.73150015 2.224299910<12.7247 -6.51660013 0.6219000220= 4.29222679 -0.774613976 12.9769001 -8.79909992 1.94379997064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jglxc```d`0`````Ɛ̐ʠː1B])X@9 eHbBS ۔2.X`.+]@2H4f8516ce-df33-4543-8c4c-b995c57d2666  OSA$4b6ac0e5-1075-41b7-905a-9be934a5879c62 -7.51316071 0.85060733611.2921 -0.844500005 11.42500020 -7.01688194 1.71877038 11.5300999 -1.33060002 10.00459960 -7.52059364 2.58264208 12.3683004 -0.309100002 9.253299710 -6.01689148 1.72306168 12.2648001 -2.6610000110.04070 -5.51191092 0.859894633 13.5101004 -2.7565999 9.427700040 -4.51187992 0.859832168 14.1915998 -3.9690001 9.454099660 -4.01175356 1.73178518 13.6332998 -5.07490015 10.08759980 -4.51165915 2.60379982 12.3878002 -4.9717998510.69870 -5.51676559 2.5950141 11.6995001 -3.76220012 10.67609980 -6.02177143 3.45813012 10.4914999 -3.66230011 11.26879980 -3.01175356 1.73167455 14.2764997 -6.2614998810.12570 -4.01067734-0.00549797667 15.4884005 -4.05030012 8.809900280 -4.5094738 -0.872217 16.5100002 -3.79979992 9.449299810 -3.01067829-0.00410912139 15.5781002 -4.41309977 7.462699890 -2.50418425 0.86409539 16.8584003 -4.51219988 6.757699970 -1.49898517 0.865492105 16.6264992 -4.0314002 5.333000180 -1.00028002-0.00131629664 15.5432997 -2.96370006 5.334199910 -1.49657452 -0.869506538 14.1942997 -3.54310012 5.713200090 -2.5017736 -0.870902896 14.4181995 -4.73070002 6.626399990-0.000281004875 7.2900184e-05 15.4229002 -2.32360005 4.016600130 0.508624315 -0.866720855 14.8528996 -3.23959994 3.016900060 1.51382339 -0.865323603 13.3409996 -3.07620001 3.006299970 2.01011705 0.00286705699 12.9335003 -1.72839999 2.431400060 2.77588987 0.645978153 12.7662001 -1.78219998 0.9197000270 1.51141191 0.869674683 14.0677996 -0.766900003 2.760999920 0.50621295 0.868277609 14.6443005 -1.08299994 4.133299830 2.77767467 -0.638113081 11.6140003 -1.31509995 3.065599920 3.71655869 -0.293878853 11.8697004 -0.566299975 4.244699950 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960  12.5249004 -0.628899992 8.318799970! 11.8850002 0.565999985 9.229499820" 13.2463999 -0.192399994 9.717200280# 13.9112997 -1.96169996 8.972700120$ 11.9870005 -5.76669979 11.15429970% -6.77175903 3.45378757 9.66090012 -3.85649991 10.74699970& -2.63668156 2.38115239 14.1363001 -6.8817000410.89750' 17.1735992 -5.46120024 6.751800060( 17.5419998 -3.93670011 7.206399920) 17.4743004 -3.64700007 4.967800140* 16.3369007 -4.80070019 4.763599870+ 15.7881002 -2.26419997 6.005599980,13.7107 -3.83820009 4.889100070- 13.6514997 -2.850500116.18820. 13.6121998 -4.88070011 7.199100020/ 14.5994997 -5.55149984 6.084599970015.0871 -4.18260002 3.2532999501 15.2206001 -3.02130008 2.1129999202 12.9390001 -3.80279994 2.4491999103 12.9994001 -3.14709997 3.9435000404 12.4991999 -0.879800022 0.5816000105 13.6314001 -2.05360007 0.49810001306 12.0581999 -2.44860005 0.6862999807 13.71790030.1699 2.757699970814.7872 -0.85650003 2.0722000609 15.2371998 -0.335900009 4.433899880: 13.9034004 -1.20679998 4.793499950; 11.0952997 -0.754100025 2.42039990< 11.0853996 -2.13159993.29740= 4.29222679 -0.77461397611.1236-0.7051 4.89599991064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgmxc```d`0```` Lt|S4 ˄H'YI )@ 1f0P,ucr?N/rbQޥ_8Z@2H8143835b-a45f-47fa-bedd-5f30b008db26 OSA$b089e57f-478e-46ae-82eb-8ad6aef555db62 -7.51316071 0.850607336 11.5566998 -0.584200025 11.50930020 -7.01688194 1.71877038 11.7925997 -1.00750005 10.06859970 -7.52059364 2.58264208 12.6822004 0.0142999999 9.379400250 -6.01689148 1.72306168 12.4707003 -2.36800003 10.04459950 -5.51191092 0.859894633 13.7187004 -2.4849999 9.440999980 -4.51187992 0.859832168 14.3486004 -3.72490001 9.412799840 -4.01175356 1.73178518 13.7367001 -4.8368001 9.982899670 -4.51165915 2.60379982 12.4886999 -4.71220016 10.58510020 -5.51676559 2.595014111.8518 -3.4749999 10.61690040 -6.02177143 3.45813012 10.6414003 -3.35409999 11.20090010 -3.01175356 1.73167455 14.3292999 -6.04990005 9.967300420 -4.01067734-0.00549797667 15.6491003-3.8283 8.77919960 -4.5094738 -0.872217 16.6720009 -3.65389991 9.441499710 -3.01067829-0.00410912139 15.7411003 -4.12599993 7.416299820 -2.5017736 -0.870902896 16.9004993 -4.85900021 6.883699890 -1.49657452 -0.869506538 17.2353001 -4.31020021 5.503200050 -1.00028002-0.00131629664 16.0368996 -4.26800013 4.563499930 -1.49898517 0.865492105 14.7265997 -4.60629988 5.263000010 -2.50418425 0.8640953914.6805 -3.70729995 6.487199780-0.000281004875 7.2900184e-05 16.2413998 -5.13129997 3.390599970 0.50621295 0.868277609 15.5478001 -6.42019987 3.536299940 1.51141191 0.869674683 14.1520004 -6.29659986 2.94549990 2.01011705 0.00286705699 14.2012997 -6.1624999 1.431200030 2.77588987 0.645978153 14.1876001 -7.51809978 0.7397000190 1.51382339 -0.865323603 15.5172997 -5.46630001 1.110299940 0.508624315 -0.86672085515.8329 -4.42150021 2.170599940 2.77767467 -0.638113081 12.9903002 -5.35960007 0.9807999730 3.71655869 -0.293878853 12.6191998 -4.44820023 2.004499910 12.4329004 -0.528400004 11.98799990 11.1106005 0.310600013 11.52499960 10.9714003 -1.25650001 11.9625998010.9164 -1.06340003 9.589799880  12.8374004 -0.264200002 8.431599620! 12.2361002 0.909099996 9.395199780" 13.5584002 0.070100002 9.858200070# 14.1584997 -1.68579996 9.031399730$ 12.0493002 -5.5114002210.99510% -6.77175903 3.45378757 9.86600018 -3.88479996 10.85869980& -2.63668156 2.38115239 14.1533003 -6.70190001 10.70489980' 16.6802006 -5.83190012 6.81440020(17.684 -4.73719978 7.493000030) 17.5886993 -3.380700115.60850* 17.9393997-4.8901 5.093500140+ 15.9581003 -3.32920003 4.228199960, 14.7131004 -5.56860018 5.534599780- 13.9500999 -4.41870022 4.661499980. 14.8283997 -2.75699997 6.213200090/ 13.7894001 -3.79080009 6.9333000200 15.4825001 -6.65880013 4.5051999101 16.0559998 -7.13180017 3.0511999102 13.6246004 -7.11229992 3.1830999903 13.7063999 -5.48789978 3.329600104 14.2210999 -7.38719988 -0.25110000405 14.9821997 -8.04979992 1.0327999606 13.3505001 -8.00800037 0.98309999707 15.4456997 -5.02019978 0.21819999808 16.2520008 -6.14429998 1.0858999509 16.5755005 -3.83039999 1.855700020:15.0211 -3.86739993 2.354799990;13.217 -4.85270023 0.1492000070< 12.2287998 -5.98070002 0.7954000230= 4.29222679 -0.774613976 11.6835003 -4.6413002 2.29970002064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgmxc```d`0```ʐ``d21i3 ˄ӀD$K (cĖ )@Q ?ȶ<`jg` \nXw/s@2H4b35a02b-61b6-488f-a3b9-26869da82c99 OSA$004d90d3-885a-4c83-a761-a5087b1a1e1c62 -7.51316071 0.85060733611.2921 -0.844500005 11.42500020 -7.01688194 1.71877038 11.5300999 -1.33060002 10.00459960 -7.52059364 2.58264208 12.3683004 -0.309100002 9.253299710 -6.01689148 1.72306168 12.2648001 -2.6610000110.04070 -5.51191092 0.859894633 13.5101004 -2.7565999 9.427700040 -4.51187992 0.859832168 14.1915998 -3.9690001 9.454099660 -4.01175356 1.73178518 13.6332998 -5.07490015 10.08759980 -4.51165915 2.60379982 12.3878002 -4.9717998510.69870 -5.51676559 2.5950141 11.6995001 -3.76220012 10.67609980 -6.02177143 3.45813012 10.4914999 -3.66230011 11.26879980 -3.01175356 1.73167455 14.2764997 -6.2614998810.12570 -4.01067734-0.00549797667 15.4884005 -4.05030012 8.809900280 -4.5094738 -0.872217 16.5100002 -3.79979992 9.449299810 -3.01067829-0.00410912139 15.5781002 -4.41309977 7.462699890 -2.50418425 0.86409539 16.7616997 -5.12330008 6.952899930 -1.49898517 0.865492105 17.0580997 -4.6322999 5.542300220 -1.00028002-0.0013162966415.849 -4.68809986 4.617099760 -1.49657452 -0.86950653814.5618 -5.04460001 5.349699970 -2.5017736 -0.87090289614.4909 -4.08699989 6.527400020-0.000281004875 7.2900184e-05 16.0771999 -5.60090017 3.486799960 0.508624315 -0.866720855 15.0935001 -6.69420004 3.463399890 1.51382339 -0.865323603 13.9061003 -6.26870012 2.614000080 2.01011705 0.00286705699 14.2803001 -6.18279982 1.142199990 2.77588987 0.645978153 14.0938997 -7.51429987 0.4295000140 1.51141191 0.86967468315.757 -5.81209993 1.101600050 0.50621295 0.868277609 16.0883007 -4.84369993 2.22760010 2.77767467 -0.638113081 13.3964005 -5.13500023 0.4826000030 3.71655869 -0.293878853 12.0340996 -5.51289988 0.6162999870 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960  12.5249004 -0.628899992 8.318799970! 11.8850002 0.565999985 9.229499820" 13.2463999 -0.192399994 9.717200280# 13.9112997 -1.96169996 8.972700120$ 11.9870005 -5.76669979 11.15429970% -6.77175903 3.45378757 9.66090012 -3.85649991 10.74699970& -2.63668156 2.38115239 14.1363001 -6.8817000410.89750' 16.5820999 -6.10690022 6.935699940( 17.5459003 -4.9380002 7.545100210) 17.3731003 -3.68470001 5.595799920* 17.7817001 -5.20249987 5.153299810+ 15.7270002 -3.77169991 4.235899930, 14.5918999 -5.9914999 5.669700150- 13.7715998 -4.9204998 4.74949980.14.5955 -3.14650011 6.20380020/ 13.6090002 -4.18470001 6.9885001200 14.7869997 -6.8902998 4.394899850115.5112 -7.51350021 3.070499902 13.1707001 -6.93720007 2.7242999103 13.5901003 -5.371500022.922404 14.3499002 -7.41639996 -0.53219997905 14.6732998 -8.20670033 0.8597000240613.1362 -7.79500008 0.49259999407 15.9651003 -5.381100180.223608 16.3080997-6.6401 1.2055000109 16.9929008 -4.444499972.07830: 15.4041004 -4.11520004 2.262399910; 13.5417995-4.25 0.9247999790< 13.6293001 -5.06519985 -0.4873999950= 4.29222679 -0.774613976 11.6638002 -5.13089991 1.46300006064          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/102132435465768798:9;:<;=<>=?2080I{jgjxc```d`0``Ɛ``F i @VT̐2eHELLR&>z0  Н\_rsŢKxvw@2H36c4142f-84f4-460f-819f-5b6d85c5ebdeH44bb2bca-7f0e-46e0-ab9d-88e7c3622bd1Kd}M@!AJ?z ?p@?z ?;?ʾ?;?8P?ʾ?8Pg ?Ԛ```?՜ ~@?.??.~@?,?Ur?.?`?.?Ur?z ?⾔@?حݠ0Cbc@.o7(4-methyl-[1,4'-bipiperidin]-4-yl)methanol, F1907-6955 #GD܇t877Z 8RA͎|sC7H9N3Oiei,Lyvt?ݝ+?ɠ-?e 8Bqi?z?z?z??(??R?R?R?z?zRzz?R?R?RR?zhigh?low?85ڄHܨ'UMB_Ř_U@^ U@`^ `?&G{? `?`?}GǦ+``k| ^ Š@?ë@?h@@p?TҺ}^F2_Ж-?z?z?zzzzz?z?z =?z?z?z?zz?Rzyes?Qno? @8w(CAg1296#F.AõmYSecondary Amines:Fragment1_080I{jgH36ffc3b3-89d4-482f-b9e5-ab38dd15a4245s:@-pS D٨nJ7PS xhttps://www.emolecules.com/cgi-bin/find?id=300142462*@^n| n| n| n| n| low? !`high?B` medium?@very high?B`8C Xcu3BlRO@Z/՞PEnamine BB - UA Backorder3HDeC|mgj%UCc)279ɤ߇GꚒ<USDҒtHs Z??d?( 2C9 pKi?M *2D6 affinity category?*KBBB category?0BBB log([brain]:[blood])?覆 6FlexX Score 2XJX XJX_A_1232?XHIA category?k`P-gp category?ZPPB90 category?ff`hERG pIC50?qlogP?)logS?wC#<-SA MFCD09025765`jfFow{v\ preferredm IEۜ.MOE 300142462bRƾDBB EN300-132141yNq+zhttps://www.emolecules.com/cgi-bin/more?vid=300142462c#r@G|C100jKJAodZCC(C)c1cc(c(cc1O)O)C(=O)N2CCc3c(nc[nH]c3=O)C2s?5kg~2qm}u__ Bÿw\ަuf~>ogw~oW=4M`c OSA$e5c6ae9a-24d9-4c82-a5da-88653f66c5f743 -7.40326548 0.470825195 11.2105999 -0.847199976 11.34879970 -7.04917574 1.40603662 11.4752998 -1.33000004 9.932000160 -7.68204737 2.18029308 12.2653999 -0.273999989 9.176300050 -6.06221342 1.56699157 12.2728996 -2.62339997 9.977999690 -5.42819929 0.793629885 13.5228996 -2.66289997 9.368399620 -4.44051504 0.950291216 14.2616997 -3.84089994 9.403900150 -4.08321953 1.88984871 13.7554998-4.9684 10.04290010 -4.71360922 2.6727440412.5049 -4.92150021 10.65069960 -5.70491838 2.50654864 11.7594995 -3.74650002 10.61900040 -6.33895016 3.27985573 10.5465002 -3.70099998 11.20839980 -3.09555888 2.04645777 14.4547997 -6.1226000810.08990 -3.80989289 0.17420113115.5625 -3.86380005 8.763099670 -4.16669559 -0.759978771 16.5702991 -4.11210012 9.424799920 -2.82246804 0.332290858 15.6721001 -3.603300097.39080 -2.46229696 1.27128494 14.5591002 -3.2874999 6.497600080 -1.47010493 1.43458295 14.3101997 -4.55259991 5.698900220 -0.841629386 0.6496436 15.6227999 -4.8979001 5.011799810 -1.20058644 -0.289815873 16.8710003 -4.50600004 5.442699910 -0.570043683 -1.06601596 18.0072994 -4.89480019 4.787700180 0.422643363 -0.91008353217.9333 -5.6651001 3.717200040 0.781600237 0.0293760449 16.7236996 -6.07819986 3.227799890 0.147834599 0.812809944 15.5581999 -5.70860004 3.847800020 0.503468454 1.7474353314.4986 -6.10239983 3.385099890 -2.19041085 -0.443311572 16.9473991 -3.60579991 6.662300110 12.0810003 -0.685699999 11.81400010 10.6859999 0.00359999994 11.31849960 10.6907997 -1.54190004 11.84599970 10.6049004-1.4914 9.466899870 12.4394999 -0.591600001 8.244199750 11.7407999 0.576699972 9.145999910 13.1358004 -0.112599999 9.641400340 13.8865995 -1.85239995 8.909399990  12.1415997 -5.73190022 11.11019990! -7.07898998 3.15803027 9.72749996 -3.9381001 10.68579960" -2.82690668 2.74669051 14.3423996 -6.7441000910.86520# 14.8025999 -2.5322001 5.889200210$ 13.7461004 -3.04169989 7.025400160% 14.0332003 -5.29610014 6.307600020& 13.5950003 -4.39550018 5.017799850' 18.7740002 -5.95079994 3.25729990( 1.52230477 0.147090793 16.6898003 -6.65439987 2.411099910) 17.6704998 -3.93630004 7.268799780* 17.1588001 -2.67350006 6.36870003045          ! " !# "$#%$&%'&(')(*)+*,2080I{jg  OSA$e5c6ae9a-24d9-4c82-a5da-88653f66c5f743 -7.40326548 0.470825195 11.2105999 -0.847199976 11.34879970 -7.04917574 1.40603662 11.4752998 -1.33000004 9.932000160 -7.68204737 2.18029308 12.2653999 -0.273999989 9.176300050 -6.06221342 1.56699157 12.2728996 -2.62339997 9.977999690 -5.42819929 0.793629885 13.5228996 -2.66289997 9.368399620 -4.44051504 0.950291216 14.2616997 -3.84089994 9.403900150 -4.08321953 1.88984871 13.7554998-4.9684 10.04290010 -4.71360922 2.6727440412.5049 -4.92150021 10.65069960 -5.70491838 2.50654864 11.7594995 -3.74650002 10.61900040 -6.33895016 3.27985573 10.5465002 -3.70099998 11.20839980 -3.09555888 2.04645777 14.4547997 -6.1226000810.08990 -3.80989289 0.17420113115.5625 -3.86380005 8.763099670 -4.16669559 -0.759978771 16.5702991 -4.11210012 9.424799920 -2.82246804 0.332290858 15.6721001 -3.603300097.39080 -2.46229696 1.27128494 14.5591002 -3.2874999 6.497600080 -1.47010493 1.43458295 14.3101997 -4.55259991 5.698900220 -0.841629386 0.6496436 15.6227999 -4.8979001 5.011799810 -1.20058644 -0.289815873 16.8710003 -4.50600004 5.442699910 -0.570043683 -1.06601596 18.0072994 -4.89480019 4.787700180 0.422643363 -0.91008353217.9333 -5.6651001 3.717200040 0.781600237 0.0293760449 16.7236996 -6.07819986 3.227799890 0.147834599 0.812809944 15.5581999 -5.70860004 3.847800020 0.503468454 1.7474353314.4986 -6.10239983 3.385099890 -2.19041085 -0.443311572 16.9473991 -3.60579991 6.662300110 12.0810003 -0.685699999 11.81400010 10.6859999 0.00359999994 11.31849960 10.6907997 -1.54190004 11.84599970 10.6049004-1.4914 9.466899870 12.4394999 -0.591600001 8.244199750 11.7407999 0.576699972 9.145999910 13.1358004 -0.112599999 9.641400340 13.8865995 -1.85239995 8.909399990  12.1415997 -5.73190022 11.11019990! -7.07898998 3.15803027 9.72749996 -3.9381001 10.68579960" -2.82690668 2.74669051 14.3423996 -6.7441000910.86520# 14.8025999 -2.5322001 5.889200210$ 13.7461004 -3.04169989 7.025400160% 14.0332003 -5.29610014 6.307600020& 13.5950003 -4.39550018 5.017799850' 18.7740002 -5.95079994 3.25729990( 1.52230477 0.147090793 16.6898003 -6.65439987 2.411099910) 17.6704998 -3.93630004 7.268799780* 17.1588001 -2.67350006 6.36870003045          ! " !# "$#%$&%'&(')(*)+*,2080I{jglxc```d`0``Ɛ@V2X0X20Y&@PN(cɐ` d%UYU0EL>/r`@@; Ey.2 P@2H36ffc3b3-89d4-482f-b9e5-ab38dd15a424  OSA$e5ee0690-a9a2-4ed3-8150-e29b7b57afb943 -7.40326548 0.470825195 11.3842001 -0.70420002911.34690 -7.04917574 1.4060366211.6573 -1.20130002 9.936699870 -7.68204737 2.18029308 12.5183001 -0.188099995 9.200200080 -6.06221342 1.56699157 12.3860998 -2.53390002 10.00129990 -5.42819929 0.793629885 13.6464996 -2.63809991 9.421600340 -4.44051504 0.950291216 14.3227997 -3.85249996 9.474300380 -4.08321953 1.8898487113.7444 -4.95190001 10.10089970 -4.71360922 2.67274404 12.4837999 -4.84030008 10.67870040 -5.70491838 2.50654864 11.8006001 -3.62859988 10.62959960 -6.33895016 3.27985573 10.5778999 -3.52029991 11.18999960 -3.09555888 2.04645777 14.3821001 -6.14039993 10.16409970 -3.80989289 0.174201131 15.6356001 -3.94280005 8.864600180 -4.16669559 -0.759978771 16.6411991 -3.69109988 9.52849960 -2.82246804 0.332290858 15.7593002 -4.31640005 7.519899850 -2.46229696 1.27128494 14.6618996 -3.96469998 6.599899770 -1.47010493 1.43458295 14.6890001 -4.77650023 5.319900040 -0.841629386 0.6496436 16.0990009 -4.6157999 4.78819990 -1.20058644 -0.289815873 17.1636009 -4.72609997 5.640900140 -0.570043683 -1.06601596 18.4262009 -4.54589987 5.149899960 0.422643363 -0.910083532 18.6233997 -4.26410007 3.87369990 0.781600237 0.0293760449 17.5730991 -4.15290022 2.998500110 0.147834599 0.812809944 16.2866001 -4.33869982 3.414099930 0.503468454 1.74743533 15.3603001-4.2507 2.622800110 -2.19041085 -0.443311572 16.9780006 -5.03030014 7.117800240 12.2503996 -0.587199986 11.83269980 10.9048004 0.172399998 11.30440040 10.8177004 -1.37080002 11.83139990 10.7910995 -1.31830001 9.45090008012.698 -0.515100002 8.27239990 12.0389004 0.688499987 9.15760040 13.3844995 -0.0710000023 9.685899730 14.0621996 -1.84780002 8.97150040  12.0684996 -5.63049984 11.12930010! -7.07898998 3.15803027 9.76039982 -3.71550012 10.64809990" -2.82690668 2.74669051 14.2196999 -6.75460005 10.93640040#14.7388 -2.99559999 6.36579990$ 13.7910004 -4.12750006 7.06370020% 14.4913998 -5.73850012 5.508699890& 14.0227003 -4.4218998 4.66389990' 19.5562992 -4.12930012 3.539700030( 1.52230477 0.147090793 17.7530003 -3.93199992 2.039900060) 16.8689003 -6.01410007 7.260200020* 17.7635002-4.7026 7.64279985045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgmxc```d`0`ΐ```) &@v"e3YI@9cK 6IR,s#m32  Н\_rsŢKxe@2H7c358a8d-14aa-4d7f-b839-3b61d9d6172f  OSA$f2483fc6-e7fc-4ef7-85f9-30ba25c9db2d43 -7.40326548 0.470825195 12.3006001 -0.564700007 11.51729970 -7.04917574 1.40603662 11.8936996 -1.32290006 10.26439950 -7.68204737 2.18029308 12.3084002 -0.530499995 9.035400390 -6.06221342 1.56699157 12.5796003-2.6796 10.24779990 -5.42819929 0.793629885 13.8261003 -2.79380012 9.640500070 -4.44051504 0.950291216 14.4631004-4.0302 9.619000430 -4.08321953 1.88984871 13.8597002 -5.14139986 10.19939990 -4.71360922 2.67274404 12.6132002 -5.01959991 10.80519960 -5.70491838 2.50654864 11.9693003 -3.78600001 10.83030030 -6.33895016 3.27985573 10.7602997 -3.66790009 11.41790010 -3.09555888 2.0464577714.4593 -6.3512001 10.19050030 -3.80989289 0.174201131 15.7618999 -4.13059998 8.981499670 -4.16669559 -0.759978771 16.7861996 -3.9454999 9.638799670 -2.82246804 0.332290858 15.8508997 -4.43839979 7.617599960 -2.46229696 1.27128494 14.8219995 -4.11810017 6.611599920 -1.47010493 1.43458295 15.3923998-3.1494 5.578000070 -0.841629386 0.6496436 16.7352009-3.6164 5.034999850 -1.20058644 -0.289815873 17.4869003 -4.54850006 5.69409990 -0.570043683 -1.06601596 18.7080994 -4.9151001 5.181900020 0.422643363 -0.910083532 19.1732998 -4.39669991 4.057000160 0.781600237 0.0293760449 18.4451008 -3.474100113.35270 0.147834599 0.812809944 17.2208996 -3.07229996 3.816699980 0.503468454 1.74743533 16.5771999 -2.25099993 3.181299920 -2.19041085 -0.443311572 16.9768009 -5.16730022 6.990499970 13.2924004 -0.436800003 11.52219960 11.8493996 0.327699989 11.52820010 12.0277996 -1.08599997 12.32579990 10.9019003 -1.45079994 10.2594995012.0407 -1.02929997 8.211099620 11.8571997 0.361900002 9.046299930 13.3002005 -0.40259999 9.04030037014.2598-1.995 9.223600390  12.1800003 -5.8183999111.22260! -7.07898998 3.15803027 9.92800045 -3.80890012 10.88179970" -2.82690668 2.74669051 14.2897997 -6.9987998 10.93340020# 14.0359001 -3.69639993 7.063399790$ 14.5320997 -4.95879984 6.154099940% 14.7468004 -3.07159996 4.818299770& 15.5118999 -2.25390005 6.006899830' 20.0690002 -4.68230009 3.716000080( 1.52230477 0.147090793 18.8071003 -3.0947001 2.501199960) 16.6739998 -6.09980011 6.793499950* 17.7339001 -5.19350004 7.64319992045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgjxc```d`0 f I@҄A!2a0&Y@0(kcT ) fL0  Н\_rsŢKxT @2Hcc69b643-a103-476a-8bda-316c40e79ed6  OSA$22d88539-c890-4e2d-8f83-ae2df5c753d643 -7.40326548 0.470825195 11.8760004 0.100400001 10.93200020 -7.04917574 1.40603662 12.1885996 -0.3993000099.53090 -7.68204737 2.18029308 13.2550001 0.484100014 8.904100420 -6.06221342 1.56699157 12.6955004 -1.83070004 9.604800220 -5.42819929 0.793629885 13.9696999 -2.116800079.1250 -4.44051504 0.950291216 14.4441004 -3.4230001 9.187100410 -4.08321953 1.88984871 13.6520004 -4.43310022 9.723999980 -4.71360922 2.67274404 12.3789997 -4.13950014 10.20209980 -5.70491838 2.50654864 11.8971004 -2.83509994 10.14299960 -6.33895016 3.27985573 10.6623001 -2.55029988 10.60669990 -3.09555888 2.04645777 14.0916004 -5.70779991 9.794400220 -3.80989289 0.174201131 15.7744999 -3.70280004 8.682200430 -4.16669559 -0.75997877116.7465 -3.62759995 9.433799740 -2.82246804 0.332290858 15.9534998 -4.05880022 7.339000230 -2.46229696 1.27128494 15.0742998 -3.64240003 6.231400010 -1.47010493 1.43458295 15.8589001 -2.78259993 5.242800240 -0.841629386 0.6496436 17.1772995 -3.42880011 4.842500210 -1.20058644 -0.289815873 17.7385006 -4.42770004 5.587900160 -0.570043683 -1.06601596 18.9466991 -4.95809984 5.204599860 0.422643363 -0.910083532 19.5790997 -4.53469992 4.122300150 0.781600237 0.0293760449 19.0442009 -3.54940009 3.334399940 0.147834599 0.812809944 17.8421001 -2.9849999 3.668900010 0.503468454 1.74743533 17.3712997 -2.10890007 2.959500070 -2.19041085 -0.443311572 17.0326004 -4.94010019 6.838099960 12.7052002 0.0688000023 11.48989960 11.5424995 1.0419000410.88340 11.1744003 -0.480800003 11.34430030 11.3593998 -0.367700011 8.97299957013.4607 0.155399993 7.982399940 12.9216003 1.42569995 8.85560036014.0843 0.452600002 9.462100030 14.5389004 -1.39069998 8.739399910  11.8100996 -4.86560011 10.58829980! -7.07898998 3.15803027 9.86240005 -2.99699998 10.20590020" -2.82690668 2.74669051 13.7713003 -6.30740023 10.52789970# 14.3085003 -3.11310005 6.596600060$ 14.7251997-4.4533 5.761899950% 15.3038998 -2.64720011 4.422100070& 16.0494003 -1.89690006 5.666200160' 20.4596996 -4.93930006 3.875900030( 1.52230477 0.147090793 19.5310001 -3.24300003 2.516299960) 16.6343994 -5.83300018 6.628099920* 17.7145996 -5.04139996 7.56239986045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgnxc```d`0̐Ȑ```ΐ` @ Pք! Jb0ʧYf@yc4)P%P 黋9?N/rbQޥ_@2Hcae467b8-a049-4c4f-b17e-6a38fb250966  OSA$96e96ecc-d8ed-4518-bc03-54c82d3af8ed43 -7.40326548 0.470825195 11.1618004 -0.874499977 11.33209990 -7.04917574 1.40603662 11.4363003 -1.37080002 9.921799660 -7.68204737 2.18029308 12.2234001 -0.318100005 9.158499720 -6.06221342 1.56699157 12.2418003 -2.65849996 9.985600470 -5.42819929 0.793629885 13.4948997 -2.69659996 9.382399560 -4.44051504 0.95029121614.2409 -3.86949992 9.434000020 -4.08321953 1.88984871 13.7389002 -4.99329996 10.08279990 -4.71360922 2.67274404 12.4850998 -4.94780016 10.68410020 -5.70491838 2.50654864 11.7323999 -3.7780001210.63620 -6.33895016 3.27985573 10.5164003 -3.73390007 11.21930030 -3.09555888 2.0464577714.4452 -6.14239979 10.14550020 -3.80989289 0.174201131 15.5448999 -3.89100003 8.799599650 -4.16669559 -0.759978771 16.5510998 -4.12580013 9.468799590 -2.82246804 0.332290858 15.6595001 -3.64459991 7.425199990 -2.46229696 1.27128494 14.6694002 -2.764300116.78230 -1.47010493 1.43458295 15.1047001 -2.27390003 5.411900040 -0.841629386 0.6496436 15.5373001 -3.50970006 4.644499780 -1.20058644 -0.289815873 16.2989006 -4.47200012 5.24949980 -0.570043683 -1.06601596 16.6343002 -5.6019001 4.551700120 0.422643363 -0.910083532 16.2511997 -5.78369999 3.300699950 0.781600237 0.0293760449 15.5047998 -4.83510017 2.650099990 0.147834599 0.812809944 15.1470003 -3.67910004 3.289799930 0.503468454 1.74743533 14.4869003 -2.8513999 2.680099960 -2.19041085 -0.443311572 16.7577991 -4.28499985 6.684800150 12.0289001 -0.702499986 11.79959960 10.6318998 -0.0274999999 11.29020020 10.6440001 -1.5671000511.83430 10.5691996 -1.54279995 9.454299930 12.4039001 -0.644599974 8.230699540 11.6934996 0.528999984 9.116600040 13.0903997 -0.145999998 9.62600040 13.8556995 -1.88880002 8.916299820  12.1246996 -5.75549984 11.15060040! -7.07898998 3.15803027 9.7013998 -3.98169994 10.69550040" -2.82690668 2.74669051 14.3330002 -6.75619984 10.92689990# 14.5202999 -1.97019994 7.371500020$ 13.8126001 -3.27010012 6.681399820% 14.3430996 -1.82389998 4.94549990& 15.8678999 -1.63339996 5.49809980' 16.5084991 -6.62330008 2.822400090( 1.52230477 0.147090793 15.2206001 -4.98859978 1.703699950) 16.9713001 -5.17280006 7.092599870* 17.5704002 -3.7026999 6.70959997045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgmxc```d`0`ʐ`Đ`` I@ P\HӀ, le` Te3L-9⽄?N/rbQޥ_߾@2H8ea2f733-b248-45ff-87b6-6938d512aadf  OSA$228a3372-3f99-4e0f-935c-5c6a6236f08a43 -7.40326548 0.47082519513.6882 0.958999991 10.30389980 -7.04917574 1.40603662 13.1267996 0.264600009 9.073900220 -7.68204737 2.18029308 13.9835997 0.604200006 7.865099910 -6.06221342 1.56699157 13.1338997 -1.23969996 9.293600080 -5.42819929 0.793629885 14.2574997-1.9677 8.91510010 -4.44051504 0.950291216 14.2751999 -3.3447001 9.111000060 -4.08321953 1.88984871 13.1802998 -3.98740005 9.680100440 -4.71360922 2.67274404 12.0602999 -3.25289989 10.05640030 -5.70491838 2.50654864 12.0347004 -1.87469995 9.863100050 -6.33895016 3.27985573 10.9483995 -1.16229999 10.22799970 -3.09555888 2.04645777 13.1752005 -5.32280016 9.879699710 -3.80989289 0.174201131 15.4547005 -4.0875001 8.710399630 -4.16669559 -0.759978771 16.0902004 -4.73059988 9.545800210 -2.82246804 0.33229085815.8708 -4.07299995 7.372600080 -2.46229696 1.27128494 17.2719002 -4.16580009 6.923799990 -1.47010493 1.43458295 17.4692001 -5.43809986 6.10260010 -0.841629386 0.6496436 16.4097004 -5.59189987 5.020999910 -1.20058644 -0.289815873 15.2330999 -4.8979001 5.070199970 -0.570043683 -1.06601596 14.2925997 -5.09420013 4.087800030 0.422643363 -0.910083532 14.5003996 -5.931600093.08480 0.781600237 0.0293760449 15.6731997 -6.63329983 2.984600070 0.147834599 0.812809944 16.6459007 -6.4763999 3.935699940 0.503468454 1.74743533 17.6893997 -7.10400009 3.837399960 -2.19041085 -0.443311572 14.9653997 -3.92269993 6.210800170 14.6259003 0.649699986 10.46249960 13.6836004 1.9485000410.15940 13.1246004 0.735599995 11.09920020 12.1892004 0.573899984 8.915300370 13.6141996 0.147400007 7.05579996013.9789 1.59370005 7.720600130 14.92119980.2949 8.023699760 15.0445004 -1.50559998 8.506299970  11.2735996 -3.71499991 10.46570010! -7.07898998 3.1580302710.6489 -1.16069996 11.18210030" -2.82690668 2.74669051 13.0705996 -5.6897997910.80410#17.875 -4.18849993 7.721099850$ 17.4934998 -3.36969995 6.360799790% 18.3698997 -5.40570021 5.669300080& 17.4220009 -6.22749996 6.714700220' 13.7916002 -6.054299832.39010( 1.52230477 0.147090793 15.8184996 -7.25880003 2.218100070) 15.0641003 -2.99289989 5.856299880*14.0267 -4.0612998 6.52640009045          ! " !# "$#%$&%'&(')(*)+*,2080I{jglxc```d`0```Ɛ`̐`ʠ 3Y&@:Ȳ҆@ KE F @hƐx Tq` \nXw/s2@2H306f4cd5-0715-41b9-9b11-7a539042886a  OSA$32663c01-9c03-4407-b4c6-c7fdba291b4f43 -7.40326548 0.47082519512.3469 -0.43920001410.94240 -7.04917574 1.40603662 12.0037003 -1.27670002 9.721300130 -7.68204737 2.18029308 12.4692001 -0.556800008 8.466099740 -6.06221342 1.56699157 12.6992998 -2.6249001 9.819600110 -5.42819929 0.79362988513.9733 -2.76370001 9.278100010 -4.44051504 0.95029121614.6194 -3.9927001 9.361800190 -4.08321953 1.88984871 13.9976997 -5.07229996 9.981399540 -4.71360922 2.67274404 12.7237997 -4.92600012 10.52099990 -5.70491838 2.50654864 12.0705996 -3.69959998 10.44069960 -6.33895016 3.27985573 10.8348999 -3.55780005 10.96399970 -3.09555888 2.04645777 14.6056995 -6.2743001 10.07439990 -3.80989289 0.174201131 15.9469004 -4.11899996 8.791700360 -4.16669559 -0.759978771 16.9384003 -3.88389993 9.482399940 -2.82246804 0.332290858 16.1009998 -4.50880003 7.454800130 -2.46229696 1.27128494 17.3780003 -4.681300166.76510 -1.47010493 1.43458295 17.5242004 -3.46289992 5.873899940 -0.841629386 0.6496436 16.2956009 -3.43050003 4.977300170 -1.20058644 -0.289815873 15.0832005 -4.01429987 5.271500110 -0.570043683 -1.06601596 14.0134001 -3.90350008 4.426099780 0.422643363 -0.910083532 14.1184998 -3.22480011 3.297800060 0.781600237 0.0293760449 15.2988997 -2.6322999 2.938400030 0.147834599 0.812809944 16.3992004 -2.72180009 3.751199960 0.503468454 1.74743533 17.4330006 -2.17449999 3.399499890 -2.19041085 -0.443311572 14.9750996 -4.80819988 6.560500140 13.3365002 -0.301400006 10.98470020 11.8893995 0.447699994 10.8776999012.0407 -0.912800014 11.76819990 11.0141001 -1.41439998 9.67899990 12.2433004 -1.10780001 7.662700180 12.0115995 0.330000013 8.401399610 13.4587002-0.419 8.508399960 14.4201002 -1.98759997 8.833000180 12.2774 -5.70200014 10.96660040! -7.07898998 3.15803027 10.0292997 -3.73959994 10.40019990" -2.82690668 2.7466905114.4066 -6.8769002 10.84720040#17.3687 -5.5170002 6.216000080$18.1285 -4.72419977 7.424600120%17.5681 -2.63240004 6.429299830& 18.3535995 -3.53789997 5.320199970' 13.3234997 -3.14249992 2.696899890( 1.52230477 0.147090793 15.3591995 -2.13010001 2.075799940) 14.1192999 -4.57119989 7.020500180* 14.9784002 -5.78480005 6.34520006045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgnxc```d`0Ɛ`Ɛ```ĐȠ` d%tt*C2X0$Y@ @QcH`x8$K[?\.7W,ʻt9#8@2Hfd6c142a-94a6-4ebe-87cb-7f83e3cbfef1  OSA$93bfaeca-621e-4a58-803b-fd01cab1be1443 -7.40326548 0.470825195 13.3823996 -0.0671000034 11.34869960 -7.04917574 1.40603662 12.2263002 -1.00689995 11.04769990 -7.68204737 2.18029308 11.3038998 -0.364199996 10.02470020 -6.06221342 1.56699157 12.7674999 -2.31410003 10.49139980 -5.42819929 0.793629885 13.9544001 -2.29419994 9.765700340 -4.44051504 0.950291216 14.4589996 -3.4841001 9.251500130 -4.08321953 1.88984871 13.7835999 -4.68219995 9.46129990 -4.71360922 2.67274404 12.5973997 -4.69460011 10.18809990 -5.70491838 2.50654864 12.0858002 -3.5079999 10.70540050 -6.33895016 3.27985573 10.9352999 -3.51999998 11.41030030 -3.09555888 2.04645777 14.2545996 -5.84910011 8.971699710 -3.80989289 0.17420113115.6973 -3.44429994 8.49759960 -4.16669559 -0.759978771 16.7749996 -3.58139992 9.07639980 -2.82246804 0.332290858 15.6668997 -3.24979997 7.11040020 -2.46229696 1.27128494 14.6541004 -2.48559999 6.384799960 -1.47010493 1.43458295 13.7615995 -3.51999998 5.72639990 -0.841629386 0.6496436 14.6659002 -4.38980007 4.866099830 -1.20058644 -0.289815873 16.0168991 -4.5697999 5.065400120 -0.570043683 -1.06601596 16.7514992 -5.40369987 4.267600060 0.422643363 -0.910083532 16.1758995 -6.06430006 3.279099940 0.781600237 0.0293760449 14.8402004 -5.91960001 3.017600060 0.147834599 0.812809944 14.0655003 -5.09049988 3.786900040 0.503468454 1.74743533 12.8760996 -4.99249983 3.526700020 -2.19041085 -0.443311572 16.6751003 -3.79329991 6.191199780 13.8921003 0.11429999810.50770 13.0263004 0.792800009 11.71459960 13.9891996 -0.489899993 12.02169990 11.7165003-1.1882 11.88869950 10.5432997 -0.982500017 9.826700210 10.9478998 0.495700002 10.39070030 11.8136997 -0.182799995 9.183699610 14.4398003 -1.43299997 9.615300180  12.1124001 -5.55600023 10.33899970! -7.07898998 3.15803027 10.0909996 -3.84439993 10.98390010" -2.82690668 2.74669051 14.8776999 -6.4064002 9.520500180#15.0836 -1.90380001 5.693999770$ 14.1252003 -1.91840005 7.016099930% 13.3073997 -4.07670021 6.421999930&13.073 -3.06999993 5.15780020' 16.7245007 -6.67959976 2.713099960( 1.52230477 0.147090793 14.4259996 -6.4229002 2.25920010) 17.2849007 -4.40339994 6.697199820* 17.2049999 -3.03929996 5.80299997045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgfxc```d`0` @ bD e0DT ` @$XeyXa~4&` \nXw/sgp@2Hb2b7a7b2-7bab-4763-adea-9906b38ab239  OSA$1443a31e-74f3-4933-9014-5c9ad19b35dd43 -7.40326548 0.470825195 11.2702999 -0.862699986 11.20899960 -7.04917574 1.40603662 11.5361996 -1.38170004 9.805299760 -7.68204737 2.18029308 12.3324003 -0.348199993 9.025400160 -6.06221342 1.56699157 12.3284998 -2.67680001 9.885499950 -5.42819929 0.793629885 13.5797005 -2.73650002 9.280099870 -4.44051504 0.950291216 14.3135996 -3.91619992 9.346599580 -4.08321953 1.88984871 13.8014002 -5.02540016 10.01239970 -4.71360922 2.67274404 12.5495996 -4.95830011 10.61579990 -5.70491838 2.5065486411.809 -3.7815001 10.55300050 -6.33895016 3.27985573 10.5949001 -3.71650004 11.13819980 -3.09555888 2.0464577714.4958 -6.18079996 10.08979990 -3.80989289 0.174201131 15.6157999 -3.96029997 8.709699630 -4.16669559 -0.759978771 16.6210995 -4.19610023 9.379899980 -2.82246804 0.33229085815.7296 -3.73449993 7.331699850 -2.46229696 1.27128494 17.0741005 -3.79390001 6.729100230 -1.47010493 1.43458295 17.1380005 -3.11809993 5.373600010 -0.841629386 0.6496436 16.0084991 -3.73930001 4.576799870 -1.20058644 -0.289815873 14.7790003 -3.90350008 5.154900070 -0.570043683 -1.06601596 13.7814999 -4.49510002 4.431900020 0.422643363 -0.910083532 13.9949999 -4.90950012 3.195100070 0.781600237 0.029376044915.217 -4.75199986 2.592299940 0.147834599 0.812809944 16.2537003 -4.15280008 3.246799950 0.503468454 1.74743533 17.3334999 -4.00559998 2.694999930 -2.19041085 -0.443311572 14.4987001 -3.45779991 6.579999920 12.1401997 -0.693199992 11.67210010 10.7490997 -0.0109000001 11.1562004010.7465 -1.54270005 11.72210030 10.6662998 -1.55130005 9.342200280 12.5073996 -0.689599991 8.10190010 11.8113003 0.503700018 8.972599980 13.2023001 -0.178599998 9.488499640 13.9477997 -1.93910003 8.801799770 12.1819 -5.75559998 11.09449960! -7.07898998 3.15803027 9.77610016 -3.96320009 10.61970040" -2.82690668 2.7466905114.3792-6.7823 10.88010030# 17.3341007 -4.75339985 6.620800020$ 17.7201996 -3.34080005 7.343299870% 17.0030994 -2.13150001 5.465400220& 18.0182991 -3.29469991 4.933199880' 13.2511997 -5.34630013 2.688999890( 1.52230477 0.14709079315.3504 -5.08179998 1.657699940)14.2872 -2.48079991 6.604599950* 13.7327995 -3.97440004 6.96269989045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgkxc```d`0`̐Ɛ``Ȑ`Ġ K (nR,C3 Na0 .?N/rbQޥ_ @2Hd3fc41a2-23f9-4c22-9cdb-161d55d0694f  OSA$0b690a5a-a248-4d84-9fb9-53fee654191143 -7.40326548 0.470825195 12.6529999 -0.207900003 11.46160030 -7.04917574 1.40603662 12.2287998 -0.803300023 10.12889960 -7.68204737 2.18029308 12.8933001 -0.0366999991 8.996999740 -6.06221342 1.56699157 12.6506996 -2.26270008 10.06869980 -5.42819929 0.793629885 13.9046001 -2.57800007 9.555000310 -4.44051504 0.95029121614.3013 -3.90989995 9.494700430 -4.08321953 1.88984871 13.4524002 -4.91660023 9.943900110 -4.71360922 2.67274404 12.1999998 -4.59380007 10.45650010 -5.70491838 2.50654864 11.7957001 -3.26349998 10.51970010 -6.33895016 3.27985573 10.5810003 -2.95040011 11.01690010 -3.09555888 2.04645777 13.8162003 -6.21600008 9.894900320 -3.80989289 0.174201131 15.6117001 -4.21990013 8.956100460 -4.16669559 -0.759978771 16.6212006 -3.76209998 9.49149990 -2.82246804 0.332290858 15.7285995 -5.04050016 7.826600070 -2.46229696 1.27128494 16.8530998 -5.92850018 7.53819990 -1.47010493 1.43458295 17.6548004 -5.22809982 6.457900050 -0.841629386 0.6496436 16.7005997 -4.9829998 5.29860020 -1.20058644 -0.289815873 15.3302002 -4.89419985 5.404399870 -0.570043683 -1.06601596 14.5454998 -4.63059998 4.315199850 0.422643363 -0.910083532 15.0896997 -4.45050001 3.125200030 0.781600237 0.0293760449 16.4440002 -4.5395999 2.948100090 0.147834599 0.812809944 17.2693005 -4.80770016 4.009500030 0.503468454 1.74743533 18.4731007 -4.87300014 3.81310010 -2.19041085 -0.443311572 14.7103996 -5.12060022 6.771200180 13.6466999 -0.271699995 11.55399990 12.3755999 0.751999974 11.50119970 12.2159004 -0.712300003 12.20629980 11.2351999 -0.73949998610.03650 12.6141996 -0.42840001 8.120300290 12.6157999 0.923200011 9.036600110 13.8868999 -0.100599997 9.089400290 14.5146999 -1.85430002 9.232500080  11.5902996 -5.31759977 10.77960010! -7.07898998 3.15803027 9.8217001 -3.59459996 10.92440030" -2.82690668 2.74669051 13.8663998 -6.75320005 10.73690030# 16.5240002 -6.81419992 7.210499760$ 17.4116993-6.0625 8.356699940% 18.0109997 -4.35909986 6.801300050& 18.4151993 -5.80660009 6.162600040' 14.5031996 -4.24599981 2.341500040( 1.52230477 0.147090793 16.8346996 -4.40789986 2.037100080) 14.0134001-4.4224 6.934700010* 14.2866001 -6.02610016 6.79290009045          ! " !# "$#%$&%'&(')(*)+*,2080I{jgjxc```d`0`````ΐ̠ Ħ`.PΔ!J `=)@U)@UI &t~$.ue@@; Ey.25R@2H4f8a167c-c516-453e-b52a-c5a08ad6d4b4H36ffc3b3-89d4-482f-b9e5-ab38dd15a424Kd}M@!AJ?M?`?M?" ?.@?" ?I?.@?Iи?Ġ?_믱?*`@?Wtl?Ѡr?ʟY?ʟYt?.@ա?8 ?𜥀?حݠ0Cbc@.o5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE, 3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one, PBZS8101, F21479, EN300-1321410AWH. #r 8RA͎|s C11H22N2iei,Lyvt?ݝ+?ɠ-?e 8Bqi?zz?z?R??z??z?z?R?z?R?R?z?R?z? =?z?zz?z????zhigh?޸Qlow?85ڄHܨ'UMBu@??j@?`*@*䠫@䠫G>?u@u@?`f{f{@ Ez@?TҺ}^F2_Ж-zzzz?z?zzzP?zz?z??Tzzzz?zzzz?zyes?no?€8w(CAg1296#F.AõmYSecondary Amines:Fragment1_080I{jgH2b5d6e1d-7743-4d97-ae8f-06cf050e42c31bI3-pS D٨nJ7PS vhttps://www.emolecules.com/cgi-bin/find?id=96633087*@^?@?@?@?@?@?@?@low?high?;` medium?very high?8C Xcu3BlRO@Z/՞PEnamine BB - UA Backorder3HDeC|mgj%UCc)203ɤ߇GꚒ<USDҒtHs Z?xĀ?zGy?^ 2C9 pKi?R@*2D6 affinity category?BBB category?Ov`0BBB log([brain]:[blood])?3 6FlexX Score 2XJX XJX_A_1232?HIA category?k`P-gp category?$ PPB90 category?`hERG pIC50?logP?>1logS?xwC#<-SA MFCD16497098`jfFow{v\ preferredm IEۜ.MOE 96633087bRƾDBB EN300-714049yNq+xhttps://www.emolecules.com/cgi-bin/more?vid=96633087c#r@G|C100jKJAodVCC1CC(CCN1C(=O)c2cc(c(cc2O)O)C(C)C)N3CCCCC3/rO]+u|4_5"7]k " bZʶ ]n)eau~%.vZ>'(ABɓ Ԩ,Kn)OSA$3dde037f-66a5-403a-a633-fa9f8776f83b58 -5.03891325 -0.702157736 11.3587999-0.8477 11.43089960 -5.72368574 0.0265992694 11.6596003 -1.28779995 10.00739960 -6.69719362 -0.202052504 12.4877005 -0.220100001 9.311200140 -5.4349494 0.984008253 12.4366999 -2.5943000310.03440 -4.46174335 1.21407902 13.7040005 -2.63310003 9.461700440 -4.16883326 2.17025185 14.4242001 -3.82299995 9.480199810 -4.85610294 2.90379715 13.8824997 -4.9629001610.0660 -5.83628225 2.68116879 12.6147003 -4.91650009 10.63710020 -6.12221909 1.71755326 11.8877001 -3.72970009 10.62199970 -7.09538364 1.4874423710.658 -3.68479991 11.17590050 -4.56315565 3.8599257514.5632 -6.12860012 10.09560010 -3.19466496 2.39607668 15.7434998 -3.84500003 8.878399850 -2.90315151 3.35264373 16.7269993 -4.13049984 9.56149960 -2.51201105 1.66533566 15.8985996 -3.54180002 7.520899770 -1.53150892 1.88654029 14.9343996 -2.59730005 6.935100080 -0.845304966 1.15199876 14.7509003 -2.83330011 5.443500040 -1.1396029 0.196252331 15.0761995-4.2809 5.114200120 -2.11314225 -0.0324060544 16.5771999 -4.42920017 5.304399970 -2.79934597 0.702135742 16.9927998 -4.15360022 6.742800240 -3.77284312 0.473437399 17.5074005 -5.44920015 7.350399970 -0.456948757 -0.53448933414.6468 -4.64760017 3.755300050 0.52355355 -0.313285083 15.1379004 -3.61859989 2.825099950 1.20975685 -1.04782712 15.0808001 -4.1170001 1.391000030 0.915458083 -2.00357342 14.0511999 -5.22870016 1.269199970 -0.0580807924 -2.23223114 14.5087996 -6.42819977 2.083199980 -0.744284153 -1.49768925 15.1540003 -5.978400233.38360 12.2167997 -0.714999974 11.92710020 10.8477001 0.0115999999 11.41310020 10.8141003 -1.55019999 11.88889980 10.8016996 -1.42050004 9.511199950 12.6856003-0.5097 8.374699590 11.9765997 0.639199972 9.293399810  13.3457003 -0.0873999968 9.807399750! 14.0932999 -1.81369996 9.040900230" 12.2257996 -5.7357997911.05830# -7.31085873 0.769061804 9.85200024 -3.89190006 10.62139990$ -5.07432365 4.40874863 14.4181995 -6.77339983 10.84609990% 15.2667999 -1.66489995 7.077300070&14.052 -2.7098999 7.39200020'13.8034 -2.63870001 5.189599990( 15.3634996 -2.22979999 4.933000090) 14.6084995 -4.87319994 5.770299910* 17.0454998 -3.78259993 4.702300070+ 16.8437004 -5.36229992 5.063300130, 17.7525005 -3.50370002 6.721600060- 16.7619991 -6.11409998 7.39809990. 18.2441006 -5.81459999 6.781499860/ 17.8542995 -5.27080011 8.2711000400 16.0841999 -3.39240003 3.0562000301 14.5691004 -2.80060005 2.9109001202 15.9792004 -4.46689987 1.1255999803 14.8256998 -3.36159992 0.78750002404 13.9566002 -5.49280024 0.30939999205 13.1696997 -4.90700006 1.6148999906 13.7187004 -7.00500011 2.2906999607 15.1735001 -6.95230007 1.5506999508 14.9335003 -6.63210011 4.1075000809 16.1459007 -5.93470001 3.26469994060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jg OSA$3dde037f-66a5-403a-a633-fa9f8776f83b58 -5.03891325 -0.702157736 11.3587999-0.8477 11.43089960 -5.72368574 0.0265992694 11.6596003 -1.28779995 10.00739960 -6.69719362 -0.202052504 12.4877005 -0.220100001 9.311200140 -5.4349494 0.984008253 12.4366999 -2.5943000310.03440 -4.46174335 1.21407902 13.7040005 -2.63310003 9.461700440 -4.16883326 2.17025185 14.4242001 -3.82299995 9.480199810 -4.85610294 2.90379715 13.8824997 -4.9629001610.0660 -5.83628225 2.68116879 12.6147003 -4.91650009 10.63710020 -6.12221909 1.71755326 11.8877001 -3.72970009 10.62199970 -7.09538364 1.4874423710.658 -3.68479991 11.17590050 -4.56315565 3.8599257514.5632 -6.12860012 10.09560010 -3.19466496 2.39607668 15.7434998 -3.84500003 8.878399850 -2.90315151 3.35264373 16.7269993 -4.13049984 9.56149960 -2.51201105 1.66533566 15.8985996 -3.54180002 7.520899770 -1.53150892 1.88654029 14.9343996 -2.59730005 6.935100080 -0.845304966 1.15199876 14.7509003 -2.83330011 5.443500040 -1.1396029 0.196252331 15.0761995-4.2809 5.114200120 -2.11314225 -0.0324060544 16.5771999 -4.42920017 5.304399970 -2.79934597 0.702135742 16.9927998 -4.15360022 6.742800240 -3.77284312 0.473437399 17.5074005 -5.44920015 7.350399970 -0.456948757 -0.53448933414.6468 -4.64760017 3.755300050 0.52355355 -0.313285083 15.1379004 -3.61859989 2.825099950 1.20975685 -1.04782712 15.0808001 -4.1170001 1.391000030 0.915458083 -2.00357342 14.0511999 -5.22870016 1.269199970 -0.0580807924 -2.23223114 14.5087996 -6.42819977 2.083199980 -0.744284153 -1.49768925 15.1540003 -5.978400233.38360 12.2167997 -0.714999974 11.92710020 10.8477001 0.0115999999 11.41310020 10.8141003 -1.55019999 11.88889980 10.8016996 -1.42050004 9.511199950 12.6856003-0.5097 8.374699590 11.9765997 0.639199972 9.293399810  13.3457003 -0.0873999968 9.807399750! 14.0932999 -1.81369996 9.040900230" 12.2257996 -5.7357997911.05830# -7.31085873 0.769061804 9.85200024 -3.89190006 10.62139990$ -5.07432365 4.40874863 14.4181995 -6.77339983 10.84609990% 15.2667999 -1.66489995 7.077300070&14.052 -2.7098999 7.39200020'13.8034 -2.63870001 5.189599990( 15.3634996 -2.22979999 4.933000090) 14.6084995 -4.87319994 5.770299910* 17.0454998 -3.78259993 4.702300070+ 16.8437004 -5.36229992 5.063300130, 17.7525005 -3.50370002 6.721600060- 16.7619991 -6.11409998 7.39809990. 18.2441006 -5.81459999 6.781499860/ 17.8542995 -5.27080011 8.2711000400 16.0841999 -3.39240003 3.0562000301 14.5691004 -2.80060005 2.9109001202 15.9792004 -4.46689987 1.1255999803 14.8256998 -3.36159992 0.78750002404 13.9566002 -5.49280024 0.30939999205 13.1696997 -4.90700006 1.6148999906 13.7187004 -7.00500011 2.2906999607 15.1735001 -6.95230007 1.5506999508 14.9335003 -6.63210011 4.1075000809 16.1459007 -5.93470001 3.26469994060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgnxc```d`0`Đ`ʐ`Ɛ`úЄ2-<]DCeT duEM&$30ܚ\.7W,ʻt9N@2H2b5d6e1d-7743-4d97-ae8f-06cf050e42c3 OSA$a18c6230-beba-4374-b8ba-9d2af8b3736058 -5.03891325 -0.702157736 11.3587999-0.8477 11.43089960 -5.72368574 0.0265992694 11.6596003 -1.28779995 10.00739960 -6.69719362 -0.202052504 12.4877005 -0.220100001 9.311200140 -5.4349494 0.984008253 12.4366999 -2.5943000310.03440 -4.46174335 1.21407902 13.7040005 -2.63310003 9.461700440 -4.16883326 2.17025185 14.4242001 -3.82299995 9.480199810 -4.85610294 2.90379715 13.8824997 -4.9629001610.0660 -5.83628225 2.68116879 12.6147003 -4.91650009 10.63710020 -6.12221909 1.71755326 11.8877001 -3.72970009 10.62199970 -7.09538364 1.4874423710.658 -3.68479991 11.17590050 -4.56315565 3.8599257514.5632 -6.12860012 10.09560010 -3.19466496 2.39607668 15.7434998 -3.84500003 8.878399850 -2.90315151 3.35264373 16.7269993 -4.13049984 9.56149960 -2.51201105 1.66533566 15.8985996 -3.54180002 7.520899770 -1.53150892 1.88654029 14.9828997 -2.61490011 6.833099840 -0.845304966 1.15199876 15.6445999 -1.82729995 5.707399850 -1.1396029 0.196252331 16.6774998 -2.61669993 4.907199860 -2.11314225 -0.0324060544 16.7705002 -4.09180021 5.282700060 -2.79934597 0.702135742 17.0016994 -4.17259979 6.78140020 -3.77284312 0.47343739917.1222 -5.61999989 7.230999950 -0.456948757 -0.534489334 16.3285999 -2.52609992 3.482000110 0.52355355 -0.313285083 17.5268002 -2.25449991 2.673599960 1.20975685 -1.04782712 17.1762009 -2.19370008 1.195299980 0.915458083 -2.00357342 16.1289005-1.1178 0.9563999770 -0.0580807924 -2.23223114 14.9020996 -1.43069994 1.798900010 -0.744284153 -1.49768925 15.2874002 -1.50960004 3.267499920 12.2167997 -0.714999974 11.92710020 10.8477001 0.0115999999 11.41310020 10.8141003 -1.55019999 11.88889980 10.8016996 -1.42050004 9.511199950 12.6856003-0.5097 8.374699590 11.9765997 0.639199972 9.293399810  13.3457003 -0.0873999968 9.807399750! 14.0932999 -1.81369996 9.040900230" 12.2257996 -5.7357997911.05830# -7.31085873 0.769061804 9.85200024 -3.89190006 10.62139990$ -5.07432365 4.40874863 14.4181995 -6.77339983 10.84609990% 14.6255999 -1.96640003 7.505199910& 14.2278004 -3.14470005 6.446899890' 14.9301996 -1.52020001 5.078700070( 16.1004009 -1.03240001 6.107900140) 17.5746002 -2.19630003 5.042900090* 17.5328007 -4.51949978 4.79689980+ 15.9189997 -4.55849981 5.043700220, 17.8521004 -3.69499993 7.002299790- 16.2660999 -6.10050011 7.040599820. 17.8698006 -6.06190014 6.735300060/ 17.3097992 -5.64960003 8.2128000300 18.1952991 -2.98320007 2.8225998901 17.9202003 -1.37890005 2.9537999602 16.8145008 -3.07920003 0.90350002103 17.9983006 -1.97920001 0.6679999830415.8771 -1.10319996 -0.011199999605 16.4978008 -0.2259999961.21840614.2212 -0.709100008 1.6733000307 14.5165005 -2.30690002 1.5098999708 15.6328001 -0.619199991 3.5638999909 14.4794998 -1.74969995 3.80570006060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgkxc```d`0` f )@Ƞ`Đ 'Y& @1Ȑ5́l# L i@ژI{Mg@@; Ey.2@2H55536d6a-2c3c-4933-ab61-7a200d23fd34 OSA$147ba729-852a-47a9-8b93-038f7d252a4958 -5.03891325 -0.70215773611.2921 -0.844500005 11.42500020 -5.72368574 0.0265992694 11.5300999 -1.33060002 10.00459960 -6.69719362 -0.202052504 12.3683004 -0.309100002 9.253299710 -5.4349494 0.984008253 12.2648001 -2.6610000110.04070 -4.46174335 1.21407902 13.5101004 -2.7565999 9.427700040 -4.16883326 2.17025185 14.1915998 -3.9690001 9.454099660 -4.85610294 2.90379715 13.6332998 -5.07490015 10.08759980 -5.83628225 2.68116879 12.3878002 -4.9717998510.69870 -6.12221909 1.71755326 11.6995001 -3.76220012 10.67609980 -7.09538364 1.48744237 10.4914999 -3.66230011 11.26879980 -4.56315565 3.85992575 14.2764997 -6.2614998810.12570 -3.19466496 2.39607668 15.4884005 -4.05030012 8.809900280 -2.90315151 3.35264373 16.5100002 -3.79979992 9.449299810 -2.51201105 1.66533566 15.5782003 -4.41349983 7.46129990 -1.53150892 1.88654029 14.5240002 -4.07240009 6.498700140 -0.845304966 1.15199876 15.1809998 -3.76149988 5.162399770 -1.1396029 0.196252331 16.5356998 -3.13100004 5.425600050 -2.11314225 -0.0324060544 17.5021992 -4.1413002 6.019800190 -2.79934597 0.702135742 16.7297001 -5.12279987 6.887499810 -3.77284312 0.473437399 17.5960999 -5.7592001 7.959300040 -0.456948757 -0.534489334 17.1273003 -2.6105001 4.184899810 -0.744284153 -1.49768925 16.2537003 -2.89660001 3.036900040 -0.0580807924 -2.23223114 16.8453999 -2.32999992 1.756100060 0.915458083 -2.00357342 18.2276001 -2.91779995 1.521100040 1.20975685 -1.04782712 19.1074009 -2.598999982.71980 0.52355355 -0.313285083 18.4790001 -3.15560007 3.987499950 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.31085873 0.769061804 9.66090012 -3.85649991 10.74699970$ -5.07432365 4.40874863 14.1363001 -6.8817000410.89750% 14.0176001 -3.27250004 6.820899960& 13.8971004 -4.84469986 6.395899770' 15.2980003 -4.60599995 4.639699940( 14.6082001 -3.12590003 4.644800190) 16.4207993 -2.3756001 6.070700170* 18.1823006 -3.665400036.57760+ 17.9627991 -4.63670015 5.283299920, 16.3820992 -5.8512001 6.297100070- 17.0522003 -6.41660023 8.480799670. 18.3661995 -6.23040009 7.529200080/ 17.9407997 -5.04969978 8.5740003600 15.3572998 -2.48270011 3.195499901 16.1513996 -3.88680005 2.9412000202 16.9169006 -1.33570004 1.8351999503 16.2513008 -2.5611999 0.98559999504 18.6266994 -2.51830006 0.69580000605 18.1567001 -3.90919995 1.4106999606 20.0088005 -3.01139998 2.5882000907 19.2038002 -1.60739994 2.8055999308 18.4234009 -4.15140009 3.9156000609 19.0492001 -2.90930009 4.77120018060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jghxc```d`0`F`hɐĠː` ̀, @U@Cm MyF@Õm?N/rbQޥ_ @2He0e2229b-a5b6-4044-b8ec-0f834eb4f2e5 OSA$e7dd7ef6-bd8a-472b-ad74-85560b7cf9ec58 -5.03891325 -0.702157736 11.3587999-0.8477 11.43089960 -5.72368574 0.0265992694 11.6596003 -1.28779995 10.00739960 -6.69719362 -0.202052504 12.4877005 -0.220100001 9.311200140 -5.4349494 0.984008253 12.4366999 -2.5943000310.03440 -4.46174335 1.21407902 13.7040005 -2.63310003 9.461700440 -4.16883326 2.17025185 14.4242001 -3.82299995 9.480199810 -4.85610294 2.90379715 13.8824997 -4.9629001610.0660 -5.83628225 2.68116879 12.6147003 -4.91650009 10.63710020 -6.12221909 1.71755326 11.8877001 -3.72970009 10.62199970 -7.09538364 1.4874423710.658 -3.68479991 11.17590050 -4.56315565 3.8599257514.5632 -6.12860012 10.09560010 -3.19466496 2.39607668 15.7434998 -3.84500003 8.878399850 -2.90315151 3.35264373 16.7269993 -4.13049984 9.56149960 -2.51201105 1.66533566 15.8985996 -3.54180002 7.520899770 -1.53150892 1.88654029 14.9828997 -2.61490011 6.833099840 -0.845304966 1.15199876 15.6445999 -1.82729995 5.707399850 -1.1396029 0.196252331 16.6774998 -2.61669993 4.907199860 -2.11314225 -0.0324060544 16.7705002 -4.09180021 5.282700060 -2.79934597 0.702135742 17.0016994 -4.17259979 6.78140020 -3.77284312 0.47343739917.1222 -5.61999989 7.230999950 -0.456948757 -0.534489334 16.3285999 -2.52609992 3.482000110 -0.744284153 -1.49768925 15.5538998 -1.301200033.22560 -0.0580807924 -2.23223114 15.1428003 -1.20169997 1.765699980 0.915458083 -2.00357342 16.3819008 -1.24759996 0.8853999970 1.20975685 -1.04782712 17.1518993 -2.52859998 1.164000030 0.52355355 -0.313285083 17.5293999-2.5927 2.635600090 12.2167997 -0.714999974 11.92710020 10.8477001 0.0115999999 11.41310020 10.8141003 -1.55019999 11.88889980 10.8016996 -1.42050004 9.511199950 12.6856003-0.5097 8.374699590 11.9765997 0.639199972 9.293399810  13.3457003 -0.0873999968 9.807399750! 14.0932999 -1.81369996 9.040900230" 12.2257996 -5.7357997911.05830# -7.31085873 0.769061804 9.85200024 -3.89190006 10.62139990$ -5.07432365 4.40874863 14.4181995 -6.77339983 10.84609990% 14.6255999 -1.96640003 7.505199910& 14.2278004 -3.14470005 6.446899890' 14.9301996 -1.52020001 5.078700070( 16.1004009 -1.03240001 6.107900140) 17.5746002 -2.19630003 5.042900090* 17.5328007 -4.51949978 4.79689980+ 15.9189997 -4.55849981 5.043700220, 17.8521004 -3.69499993 7.002299790- 16.2660999 -6.10050011 7.040599820. 17.8698006 -6.06190014 6.735300060/ 17.3097992 -5.64960003 8.2128000300 16.1135998 -0.506699979 3.461100101 14.7320995 -1.31060004 3.795300010214.658 -0.34040001 1.613899950314.5421 -1.96739995 1.5356999604 16.9629002 -0.458799988 1.0857000405 16.1089001 -1.22490001 -0.076300002606 16.5807991 -3.31620002 0.93309998507 17.9825001 -2.54439998 0.60729998408 18.0100994 -3.45110011 2.8143000609 18.1289997 -1.82299995 2.85479999060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgmxc```d`0ƐĐ̐``dY2y @. m`dYIK [Ґ!!'   sw^b@@; Ey.2_[E@2Hfbcd57b9-c53b-4c32-8293-d1eacdff1014 OSA$73df0df9-9385-40f6-8633-a98b8fbe820a58 -5.03891325 -0.702157736 11.3599005 -0.712000012 11.44340040 -5.72368574 0.0265992694 11.6303997 -1.17149997 10.01990030 -6.69719362 -0.202052504 12.4806004 -0.133699998 9.305500030 -5.4349494 0.984008253 12.3692999 -2.49979997 10.04790020 -4.46174335 1.2140790213.6278 -2.57999992 9.460399630 -4.16883326 2.1702518514.3132 -3.79029989 9.479599950 -4.85610294 2.90379715 13.7456999 -4.90939999 10.08080010 -5.83628225 2.68116879 12.4869003 -4.8217001 10.66660020 -6.12221909 1.71755326 11.7945995 -3.6143000110.6510 -7.09538364 1.4874423710.5737 -3.52920008 11.21920010 -4.56315565 3.85992575 14.3924999 -6.09420013 10.11139970 -3.19466496 2.39607668 15.6239004 -3.85540009 8.862199780 -2.90315151 3.3526437316.6306 -3.61299992 9.527899740 -2.51201105 1.66533566 15.7441998 -4.19379997 7.509500030 -1.53150892 1.8865402914.6475 -3.83500004 6.593500140 -0.845304966 1.15199876 14.4853001 -4.83309984 5.454999920 -1.1396029 0.196252331 15.8156004 -5.25449991 4.846300130 -2.11314225 -0.0324060544 16.6319008 -5.89709997 5.958199980 -2.79934597 0.702135742 16.9591999 -4.89139986 7.052400110 -3.77284312 0.473437399 17.6637993 -5.64279985 8.170999530 -0.456948757 -0.534489334 15.5234003 -6.235000133.78880 0.52355355 -0.313285083 14.7344999 -5.55970001 2.743799920 1.20975685 -1.04782712 14.9154997 -6.22429991 1.388299940 0.915458083 -2.00357342 16.3432999 -5.9762001 0.9179000260 -0.0580807924 -2.23223114 17.3225994 -5.94439983 2.084199910 -0.744284153 -1.49768925 16.7553997 -6.79780006 3.209700110 12.2273998 -0.600700021 11.92819980 10.8739004 0.161699995 11.42500020 10.8006001 -1.39479995 11.91339970 10.7629004 -1.28269994 9.535099980 12.6584997 -0.435900003 8.369000430 11.9946003 0.740100026 9.28699970  13.3480997 -0.0223999992 9.790300370! 14.0355997 -1.77550006 9.02849960" 12.0795002 -5.6261000611.0990# -7.31085873 0.769061804 9.75529957 -3.71679997 10.67599960$ -5.07432365 4.40874863 14.2379999 -6.72879982 10.86859990% 14.8369999 -2.93339992 6.204599860& 13.7939997 -3.80089998 7.113599780' 14.0228004 -5.64680004 5.806799890( 13.9252996 -4.41419983 4.740200040) 16.2964993 -4.46299982 4.469200130* 17.4850006 -6.25040007 5.574200150+ 16.1072998 -6.65070009 6.354199890, 17.5921001 -4.21290016 6.679399970- 17.0443001 -6.32800007 8.554100040. 18.4778004 -6.09569979 7.807199950/ 17.9326992 -4.99889994 8.8872995400 15.0293999 -4.60640001 2.679699901 13.7671003 -5.59320021 2.9949998902 14.2707996 -5.83319998 0.73159998703 14.7529001 -7.20760012 1.4699000104 16.3794003 -5.09840012 0.44029998805 16.6098003 -6.70809984 0.29069998906 18.2061005 -6.311900141.793807 17.4407997 -5.00309992 2.4005999608 16.5519009 -7.70790005 2.8487999409 17.4430008 -6.87160015 3.93199992060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgnxc```d`0```  @Ɛ` dY@.CP6 R(bKd0T ``Ɛ|F$ \.7W,ʻt9y@2H158cc7e0-0fa9-4f1a-b7b5-f49a3ae3d26c OSA$43add219-3953-45b9-ba9a-142ebcfb535758 -5.03891325 -0.702157736 12.2882996 0.129899994 11.28120040 -5.72368574 0.0265992694 11.8477001 -0.626900017 10.03880020 -6.69719362 -0.202052504 12.3327999 0.107600003 8.799599650 -5.4349494 0.984008253 12.4391003 -2.02719998 10.06200030 -4.46174335 1.21407902 13.6830997 -2.23990011 9.476499560 -4.16883326 2.17025185 14.2341003 -3.5171001 9.491399770 -4.85610294 2.90379715 13.5478001 -4.57119989 10.08629990 -5.83628225 2.68116879 12.3044004 -4.35099983 10.67010020 -6.12221909 1.71755326 11.7461996 -3.0759999810.65870 -7.09538364 1.48744237 10.5402002 -2.86240005 11.22490020 -4.56315565 3.85992575 14.0630999 -5.81899977 10.11260030 -3.19466496 2.3960766815.5316 -3.72029996 8.876299860 -2.90315151 3.35264373 16.4738998 -4.13630009 9.550299640 -2.51201105 1.66533566 15.7124004 -3.44339991 7.516399860 -1.53150892 1.88654029 14.9327002 -2.39439988 6.843800070 -0.845304966 1.15199876 15.8154001-1.8369 5.738500120 -1.1396029 0.196252331 16.0622005 -2.87409997 4.649600030 -2.11314225 -0.0324060544 16.0946007 -4.25059986 5.293799880 -2.79934597 0.702135742 16.6865997 -4.16909981 6.691299920 -3.77284312 0.473437399 16.9437008 -5.57329988 7.213600160 -0.456948757 -0.534489334 17.3386993 -2.54699993 4.002600190 0.52355355 -0.313285083 17.2602005 -2.76999998 2.550199990 1.20975685 -1.04782712 18.5830002-2.3915 1.902099970 0.915458083 -2.00357342 19.7532005 -3.11919999 2.545300010 -0.0580807924 -2.23223114 19.2900009 -4.0619998 3.650700090 -0.744284153 -1.49768925 18.4370995 -3.29060006 4.647600170 13.2862997 0.189799994 11.29860020 11.89920041.051 11.2659998011.9691 -0.353300005 12.09650040 10.8495998 -0.686800003 10.02140050 12.0430002 -0.390300006 7.98220015011.9438 1.02869999 8.784299850  13.3309002 0.167500004 8.817000390!14.1763 -1.48220003 9.049200060" 11.8115997 -5.1086998 11.09790040# -7.31085873 0.769061804 9.73630047 -3.35330009 10.88920020$ -5.07432365 4.40874863 13.5523996-6.5618 10.54559990% 14.6949997 -1.67180002 7.492899890& 14.0966997 -2.7816999 6.45520020' 15.3662996 -1.04040003 5.333700180(16.6931 -1.56120002 6.130499840) 15.3243999 -2.83579993 3.97569990* 16.6536999 -4.86280012 4.734499930+ 15.1630001 -4.6093998 5.35120010, 17.5466003 -3.65960002 6.661900040- 16.0881004 -6.09089994 7.213300230. 17.6103992 -6.03100014 6.625299930/ 17.3017998 -5.52190018 8.1458997700 16.5284996 -2.20670009 2.1663000601 17.0664997 -3.7348001 2.3719000802 18.7213001-1.4059 1.9995000403 18.5478992 -2.62890005 0.93129998404 20.3796005 -2.44449997 2.9356999405 20.2297001 -3.65019989 1.8445999606 18.7497005 -4.8032999 3.2525000607 20.0867004 -4.44449997 4.1188001608 18.0445995 -3.93790007 5.3008999809 19.0216999 -2.64039993 5.1328001060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jghxc```d`0`$ ,P6gHb]%PȲ1Ad 42BK0f V?Ā,@wr}A0.]ed@2Hf4df2188-f7e7-4982-9d54-9cc4f3392665 OSA$f7ad19ab-db86-4612-8a9e-318a29b4e8cb58 -5.03891325 -0.702157736 11.3587999-0.8477 11.43089960 -5.72368574 0.0265992694 11.6596003 -1.28779995 10.00739960 -6.69719362 -0.202052504 12.4877005 -0.220100001 9.311200140 -5.4349494 0.984008253 12.4366999 -2.5943000310.03440 -4.46174335 1.21407902 13.7040005 -2.63310003 9.461700440 -4.16883326 2.17025185 14.4242001 -3.82299995 9.480199810 -4.85610294 2.90379715 13.8824997 -4.9629001610.0660 -5.83628225 2.68116879 12.6147003 -4.91650009 10.63710020 -6.12221909 1.71755326 11.8877001 -3.72970009 10.62199970 -7.09538364 1.4874423710.658 -3.68479991 11.17590050 -4.56315565 3.8599257514.5632 -6.12860012 10.09560010 -3.19466496 2.39607668 15.7434998 -3.84500003 8.878399850 -2.90315151 3.35264373 16.7269993 -4.13049984 9.56149960 -2.51201105 1.66533566 15.8985996 -3.54180002 7.520899770 -1.53150892 1.88654029 14.9343996 -2.59730005 6.935100080 -0.845304966 1.15199876 14.7509003 -2.83330011 5.443500040 -1.1396029 0.196252331 15.0761995-4.2809 5.114200120 -2.11314225 -0.0324060544 16.5771999 -4.42920017 5.304399970 -2.79934597 0.702135742 16.9927998 -4.15360022 6.742800240 -3.77284312 0.473437399 17.5074005 -5.44920015 7.350399970 -0.456948757 -0.53448933414.6468 -4.64760017 3.755300050 0.52355355 -0.31328508315.6475 -4.1328001 2.80450010 1.20975685 -1.04782712 15.6717997 -4.94789982 1.521199940 0.915458083 -2.00357342 16.2213001 -6.33249998 1.841199990 -0.0580807924 -2.23223114 15.8133001 -6.79139996 3.235300060 -0.744284153 -1.4976892514.5049 -6.10580015 3.601799960 12.2167997 -0.714999974 11.92710020 10.8477001 0.0115999999 11.41310020 10.8141003 -1.55019999 11.88889980 10.8016996 -1.42050004 9.511199950 12.6856003-0.5097 8.374699590 11.9765997 0.639199972 9.293399810  13.3457003 -0.0873999968 9.807399750! 14.0932999 -1.81369996 9.040900230" 12.2257996 -5.7357997911.05830# -7.31085873 0.769061804 9.85200024 -3.89190006 10.62139990$ -5.07432365 4.40874863 14.4181995 -6.77339983 10.84609990% 15.2667999 -1.66489995 7.077300070&14.052 -2.7098999 7.39200020'13.8034 -2.63870001 5.189599990( 15.3634996 -2.22979999 4.933000090) 14.6084995 -4.87319994 5.770299910* 17.0454998 -3.78259993 4.702300070+ 16.8437004 -5.36229992 5.063300130, 17.7525005 -3.50370002 6.721600060- 16.7619991 -6.11409998 7.39809990. 18.2441006 -5.81459999 6.781499860/ 17.8542995 -5.27080011 8.2711000400 16.5510998-4.1724 3.2311999801 15.4253998 -3.18359995 2.5817999802 16.2586002 -4.49919987 0.84719997603 14.7447996 -5.02869987 1.1548999504 17.2194996 -6.30550003 1.7879999905 15.8691998-6.9842 1.169399980615.6882 -7.78350019 3.2413001107 16.5223007 -6.54080009 3.8943998808 13.8362999 -6.28739977 2.8808000109 14.1756001 -6.48719978 4.46560001060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgixc```d`0`ɐ` @ƐĠ 'Y)@ !P4Jd0cM8(d%T>`+ӷ9` \nXw/sX@2H9e5577fb-ecfd-417e-a68c-d4dd1a4b1e1e OSA$7c8a6082-ba13-458c-8f66-68eab77f7ed258 -5.03891325 -0.702157736 11.6247997 -0.147300005 11.46389960 -5.72368574 0.0265992694 11.8477001 -0.626900017 10.03880020 -6.69719362 -0.202052504 12.8065004 0.316399992 9.330900190 -5.4349494 0.984008253 12.4391003 -2.02719998 10.06200030 -4.46174335 1.21407902 13.6830997 -2.23990011 9.476499560 -4.16883326 2.17025185 14.2341003 -3.5171001 9.491399770 -4.85610294 2.90379715 13.5478001 -4.57119989 10.08629990 -5.83628225 2.68116879 12.3044004 -4.35099983 10.67010020 -6.12221909 1.71755326 11.7461996 -3.0759999810.65870 -7.09538364 1.48744237 10.5402002 -2.86240005 11.22490020 -4.56315565 3.85992575 14.0630999 -5.81899977 10.11260030 -3.19466496 2.3960766815.5316 -3.72029996 8.876299860 -2.90315151 3.35264373 16.4738998 -4.13630009 9.550299640 -2.51201105 1.66533566 15.7124004 -3.44339991 7.516399860 -1.53150892 1.88654029 14.9327002 -2.39439988 6.843800070 -0.845304966 1.15199876 15.8154001-1.8369 5.738500120 -1.1396029 0.196252331 16.0622005 -2.87409997 4.649600030 -2.11314225 -0.0324060544 16.0946007 -4.25059986 5.293799880 -2.79934597 0.702135742 16.6865997 -4.16909981 6.691299920 -3.77284312 0.473437399 16.9437008 -5.57329988 7.213600160 -0.456948757 -0.534489334 17.3386993 -2.54699993 4.002600190 -0.744284153 -1.49768925 18.4978008 -2.98799992 4.790200230 -0.0580807924 -2.23223114 18.9020996 -4.41809988 4.474100110 0.915458083 -2.00357342 19.4540005 -4.45779991 3.056999920 1.20975685 -1.04782712 18.7924995 -3.40300012 2.183900120 0.52355355 -0.313285083 17.3703003 -3.20169997 2.685199980 12.4981003 -0.132300004 11.95090010 11.2357998 0.773800015 11.44859980 10.9940004 -0.76789999 11.92959980 10.9743996 -0.641900003 9.551799770 12.95310020.000899999985 8.393300060 12.4174995 1.23749995 9.31560040 13.6798 0.331400007 9.81789970!14.1763 -1.48220003 9.049200060" 11.8115997 -5.1086998 11.09790040# -7.31085873 0.769061804 9.73630047 -3.35330009 10.88920020$ -5.07432365 4.40874863 13.5523996-6.5618 10.54559990% 14.6949997 -1.67180002 7.492899890& 14.0966997 -2.7816999 6.45520020' 15.3662996 -1.04040003 5.333700180(16.6931 -1.56120002 6.130499840) 15.3243999 -2.83579993 3.97569990* 16.6536999 -4.86280012 4.734499930+ 15.1630001 -4.6093998 5.35120010, 17.5466003 -3.65960002 6.661900040- 16.0881004 -6.09089994 7.213300230. 17.6103992 -6.03100014 6.625299930/ 17.3017998 -5.52190018 8.1458997700 18.2684002 -2.92630005 5.7616000201 19.2698994 -2.38450003 4.5911002202 18.1049004 -5.0177002 4.5432000203 19.6040001 -4.72109985 5.1187000304 19.2824001 -5.36140013 2.664599905 20.4391003 -4.28809977 3.0850000406 19.2994995 -2.54340005 2.2472999107 18.7765999-3.7112 1.2326999908 16.8742008 -2.63240004 2.0295000109 16.9237995 -4.0935998 2.75690007060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jghxc```d`0`̐ʐȐ` ,] i``d0EM,K 6EL$f4쀡9` \nXw/sȨ@2H3eab0e1a-1826-45e5-9d97-4d54c4c97836 OSA$9539d6f3-092c-487a-9d4c-44cb5507ab3258 -5.03891325 -0.70215773611.2921 -0.844500005 11.42500020 -5.72368574 0.0265992694 11.5300999 -1.33060002 10.00459960 -6.69719362 -0.202052504 12.3683004 -0.309100002 9.253299710 -5.4349494 0.984008253 12.2648001 -2.6610000110.04070 -4.46174335 1.21407902 13.5101004 -2.7565999 9.427700040 -4.16883326 2.17025185 14.1915998 -3.9690001 9.454099660 -4.85610294 2.90379715 13.6332998 -5.07490015 10.08759980 -5.83628225 2.68116879 12.3878002 -4.9717998510.69870 -6.12221909 1.71755326 11.6995001 -3.76220012 10.67609980 -7.09538364 1.48744237 10.4914999 -3.66230011 11.26879980 -4.56315565 3.85992575 14.2764997 -6.2614998810.12570 -3.19466496 2.39607668 15.4884005 -4.05030012 8.809900280 -2.90315151 3.35264373 16.5100002 -3.79979992 9.449299810 -2.51201105 1.66533566 15.5782003 -4.41349983 7.46129990 -1.53150892 1.88654029 14.4969997 -4.10249996 6.510000230 -0.845304966 1.15199876 14.9890003 -3.85080004 5.088699820 -1.1396029 0.196252331 16.1551991 -4.73680019 4.658299920 -2.11314225 -0.0324060544 16.5368996 -5.81029987 5.67189980 -2.79934597 0.702135742 16.7823009 -5.12179995 7.002900120 -3.77284312 0.473437399 17.1856003 -6.13129997 8.065899850 -0.456948757 -0.534489334 15.7925997 -5.40180016 3.398400070 -0.744284153 -1.49768925 14.4061003 -5.09619999 3.013600110 -0.0580807924 -2.23223114 14.1211996 -5.61450005 1.613199950 0.915458083 -2.00357342 15.0474997 -6.76789999 1.259400010 1.20975685 -1.04782712 15.2552996 -7.63140011 2.494299890 0.52355355 -0.31328508315.993 -6.84849977 3.568200110 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.31085873 0.769061804 9.66090012 -3.85649991 10.74699970$ -5.07432365 4.40874863 14.1363001 -6.8817000410.89750% 14.0206003 -3.28340006 6.82950020& 13.8599005 -4.8730998 6.492400170' 14.2269001 -4.01039982 4.461200240( 15.2805004 -2.89650011 5.02309990) 16.9526005 -4.1560998 4.493999960*17.3673 -6.28070021 5.373400210+ 15.7931995 -6.47259998 5.763000010, 17.5228004 -4.45900011 6.890900140- 16.4402008 -6.78289986 8.206600190. 18.0044994 -6.62109995 7.766799930/ 17.3773003 -5.65390015 8.9233999300 14.2688999 -4.10589981 3.0332000301 13.7804003-5.5323 3.660399910214.257 -4.87279987 0.95620000403 13.1736002 -5.93050003 1.5679999604 15.9275999 -6.40840006 0.94950002405 14.6365995 -7.31689978 0.53159999806 14.3657999 -7.91960001 2.8487999407 15.7924995 -8.43760014 2.2464001208 15.6498003 -7.12279987 4.4664998109 16.9701004 -7.05229998 3.50819993060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jghxc```d`0````` d0ISD0˄( d%Y)@U@U`1#$ Lʘ04ݽ n` \nXw/sTo@2Hf2761324-25a4-481e-b8d6-351e2a4bbad4 OSA$d9925d7b-c2d7-4712-baa5-9c5ac09e15f258 -5.03891325 -0.70215773611.2921 -0.844500005 11.42500020 -5.72368574 0.0265992694 11.5300999 -1.33060002 10.00459960 -6.69719362 -0.202052504 12.3683004 -0.309100002 9.253299710 -5.4349494 0.984008253 12.2648001 -2.6610000110.04070 -4.46174335 1.21407902 13.5101004 -2.7565999 9.427700040 -4.16883326 2.17025185 14.1915998 -3.9690001 9.454099660 -4.85610294 2.90379715 13.6332998 -5.07490015 10.08759980 -5.83628225 2.68116879 12.3878002 -4.9717998510.69870 -6.12221909 1.71755326 11.6995001 -3.76220012 10.67609980 -7.09538364 1.48744237 10.4914999 -3.66230011 11.26879980 -4.56315565 3.85992575 14.2764997 -6.2614998810.12570 -3.19466496 2.39607668 15.4884005 -4.05030012 8.809900280 -2.90315151 3.35264373 16.5100002 -3.79979992 9.449299810 -2.51201105 1.66533566 15.5782003 -4.41349983 7.46129990 -1.53150892 1.88654029 14.5240002 -4.07240009 6.498700140 -0.845304966 1.15199876 15.1809998 -3.76149988 5.162399770 -1.1396029 0.196252331 16.5356998 -3.13100004 5.425600050 -2.11314225 -0.0324060544 17.5021992 -4.1413002 6.019800190 -2.79934597 0.702135742 16.7297001 -5.12279987 6.887499810 -3.77284312 0.473437399 17.5960999 -5.7592001 7.959300040 -0.456948757 -0.534489334 17.1273003 -2.6105001 4.184899810 0.52355355 -0.313285083 18.5734997 -2.38129997 4.304299830 1.20975685 -1.04782712 19.3855991 -3.62050009 3.967499970 0.915458083 -2.00357342 19.2355995 -3.90190005 2.480000020 -0.0580807924 -2.23223114 17.8775997 -3.44350004 1.971899990 -0.744284153 -1.49768925 16.8777008 -3.58389997 3.10999990 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.31085873 0.769061804 9.66090012 -3.85649991 10.74699970$ -5.07432365 4.40874863 14.1363001 -6.8817000410.89750% 14.0176001 -3.27250004 6.820899960& 13.8971004 -4.84469986 6.395899770' 15.2980003 -4.60599995 4.639699940( 14.6082001 -3.12590003 4.644800190) 16.4207993 -2.3756001 6.070700170* 18.1823006 -3.665400036.57760+ 17.9627991 -4.63670015 5.283299920, 16.3820992 -5.8512001 6.297100070- 17.0522003 -6.41660023 8.480799670. 18.3661995 -6.23040009 7.529200080/ 17.9407997 -5.04969978 8.5740003600 18.7789001 -2.10820007 5.2439999601 18.8348999 -1.64619994 3.6788001102 19.0471001 -4.39989996 4.4946999503 20.3486004 -3.46309996 4.1862001404 19.3286991 -4.88500023 2.3222999605 19.9526005 -3.41490006 1.9811999806 17.9288998 -2.48799992 1.6813000407 17.5946007 -4.01210022 1.1995999808 15.9561005 -3.438400032.7509 16.9459991 -4.50719976 3.48790002060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgkxc```d`0`````Ȑʐ@v" 1e`eHʤy@U`@100ӛkX`.+]A@2H27591eff-9a43-4091-bfd0-ea7570378dd3H2b5d6e1d-7743-4d97-ae8f-06cf050e42c3Kd}M@!AJ?ԫ)?"?s?# ?p`@?aO`?a%?J?0?J??0?F2@?R?ԫ)?ԫ)?>?B?p`?p`?p`?B@ E?حݠ0Cbc@.oB2-methyl-4-(piperidin-1-yl)piperidine, BBV-39786079, EN300-714049g8?G? =@? =@?У? =@? =@?R?z?Phigh?z@low? =85ڄHܨ'UMBbD NbD -8K`-8K`?Ёπ?.@???@?׮?2`?J ?2`?׮``K`K`-8K`K`~#H@0?TҺ}^F2_Ж-?R?z?R?z?z?z?z?T?TR?z?T?T??T?T?z?zz?zyes? @no?Q8w(CAg654#F.AõmYSecondary Amines:Fragment1_080I{jgHc285c112-aba3-48e2-bb46-00986455913e7f4-pS D٨nJ7@>?d_o`?HzN@؂A j@ CB<00?"?p@?"??f`???@?ȿ@-R?ΎwN ?j@??@?_ ?ȯH`?_ ??@?G,?3D? ?? ?3D?E?f?J @K[?@j/ KP>PS rhttps://www.emolecules.com/cgi-bin/find?id=481109*@^?4?-t?-t?-t?-t?-t?-t?-t?-tlow?Eрhigh? medium?Every high?E8C Xcu1BlRO@Z/՞PAcros Organics (EUD)3HDeC|gj%UCc)50ɤ߇GꚒ<USDҒtHs Z??? 2C9 pKi?`*2D6 affinity category?BBB category?0BBB log([brain]:[blood])?=p6FlexX Score 2XJX XJX_A_1232?HIA category?k`P-gp category? IPPB90 category?lhERG pIC50?lj logP?W,logS?*@wC#<-SA MFCD00005962`jfFow{v\ preferredm IEۜ.MOE481109bRƾDBB15957yNq+thttps://www.emolecules.com/cgi-bin/more?vid=481109c#r@G|C5jKJAoddCC(C)c1cc(c(cc1O)O)C(=O)N2CCN(CC2)c3ccc(cc3)C(=O)C+>redBqW5=>] 9m:#Srx]d݀\qm:v&a yoə5:w.tԗ fɃ/߂ߔ6bOSA$d04250f7-1a49-4506-b43e-35e0ddfe7d8b54 -7.40470409 0.471856207 11.3437996 -0.762199998 11.42940040 -7.05023146 1.40692246 11.6206999 -1.21800005 10.00599960 -7.68278599 2.18143821 12.4680004 -0.174899995 9.295700070 -6.06320381 1.5674730512.3659 -2.54279995 10.03400040 -5.4295063 0.793851554 13.6265001 -2.61590004 9.449999810 -4.44175863 0.950108171 14.3177004 -3.82290006 9.469200130 -4.08407784 1.88951933 13.7538996 -4.94570017 10.06690030 -4.71414614 2.6726729912.493 -4.86499977 10.64920040 -5.70552397 2.50688362 11.7948999 -3.66100001 10.63350010 -6.33923864 3.28045034 10.5719004 -3.58279991 11.19820020 -3.09635305 2.04572368 14.4062996 -6.12739992 10.09739970 -3.81145453 0.173759729 15.6304998 -3.88059998 8.855500220 -4.16864014 -0.76027381416.6341 -3.63450003 9.524600030 -2.82396507 0.33144477 15.7564001 -4.21619987 7.502500060 -2.459409 1.26814878 17.0503006 -4.29530001 6.810500140 -1.4667846 1.42665446 17.1266003 -2.99889994 6.029799940 -0.838716328 0.648456156 15.7764997 -2.8296001 5.486400130 -1.19320023 -0.286640078 15.0832996 -4.10459995 5.263800140 -2.18582463 -0.445145339 14.6068001 -4.51079988 6.642399790 0.148773029 0.80614209215.2079 -1.57850003 5.227900030 0.505043685 1.74608815 14.8135004 -1.26259995 3.931999920 1.49255633 1.90382648 14.2461996 -0.0218000002 3.660700080 2.12741351 1.13115656 14.0813999 0.890399992 4.697400090 1.77114296 0.191210538 14.4750996 0.578999996 5.995100020 0.78001523 0.0239344984 15.0417995 -0.663100004 6.262300010 3.11419916 1.29318714 13.4913998 2.18670011 4.428100110 3.74791503 0.519621015 13.3472004 2.97720003 5.319300170 3.46726942 2.22878408 13.0552998 2.54480004 3.016700030 12.2094002 -0.647499979 11.91689970 10.8535995 0.109200001 11.41100030 10.7863998 -1.44840002 11.89669990 10.7551003-1.3326 9.518400190  12.6500998 -0.474700004 8.359299660! 11.9778004 0.696500003 9.277299880" 13.3334999 -0.0601999983 9.78330040# 14.0317001 -1.80869997 9.020600320$ 12.0881996 -5.67210007 11.07900050% -7.07932806 3.15892816 9.75599957 -3.7734999710.65240& -2.82741404 2.74584627 14.2526999 -6.7639999410.85320' 17.0769997 -5.08319998 6.195199970( 17.8015995 -4.3597002 7.467299940) 17.3656998 -2.23620009 6.630700110* 17.7996998 -3.06699991 5.293499950+ 15.7091999 -4.78830004 4.888599870, 14.3094997 -3.9841001 4.641900060- 13.8084002 -3.9749999 6.916999820. 14.3802996 -5.4843998 6.669700150/ 14.9378996 -1.927399993.195400 13.9601002 0.211500004 2.7313001201 14.3514996 1.24419999 6.7314000102 15.3277998 -0.896399975 7.1916999803 13.5578003 3.3520999 2.7072000504 13.24660021.778 2.4040000405 12.0745001 2.73990011 3.01020002056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jg OSA$d04250f7-1a49-4506-b43e-35e0ddfe7d8b54 -7.40470409 0.471856207 11.3437996 -0.762199998 11.42940040 -7.05023146 1.40692246 11.6206999 -1.21800005 10.00599960 -7.68278599 2.18143821 12.4680004 -0.174899995 9.295700070 -6.06320381 1.5674730512.3659 -2.54279995 10.03400040 -5.4295063 0.793851554 13.6265001 -2.61590004 9.449999810 -4.44175863 0.950108171 14.3177004 -3.82290006 9.469200130 -4.08407784 1.88951933 13.7538996 -4.94570017 10.06690030 -4.71414614 2.6726729912.493 -4.86499977 10.64920040 -5.70552397 2.50688362 11.7948999 -3.66100001 10.63350010 -6.33923864 3.28045034 10.5719004 -3.58279991 11.19820020 -3.09635305 2.04572368 14.4062996 -6.12739992 10.09739970 -3.81145453 0.173759729 15.6304998 -3.88059998 8.855500220 -4.16864014 -0.76027381416.6341 -3.63450003 9.524600030 -2.82396507 0.33144477 15.7564001 -4.21619987 7.502500060 -2.459409 1.26814878 17.0503006 -4.29530001 6.810500140 -1.4667846 1.42665446 17.1266003 -2.99889994 6.029799940 -0.838716328 0.648456156 15.7764997 -2.8296001 5.486400130 -1.19320023 -0.286640078 15.0832996 -4.10459995 5.263800140 -2.18582463 -0.445145339 14.6068001 -4.51079988 6.642399790 0.148773029 0.80614209215.2079 -1.57850003 5.227900030 0.505043685 1.74608815 14.8135004 -1.26259995 3.931999920 1.49255633 1.90382648 14.2461996 -0.0218000002 3.660700080 2.12741351 1.13115656 14.0813999 0.890399992 4.697400090 1.77114296 0.191210538 14.4750996 0.578999996 5.995100020 0.78001523 0.0239344984 15.0417995 -0.663100004 6.262300010 3.11419916 1.29318714 13.4913998 2.18670011 4.428100110 3.74791503 0.519621015 13.3472004 2.97720003 5.319300170 3.46726942 2.22878408 13.0552998 2.54480004 3.016700030 12.2094002 -0.647499979 11.91689970 10.8535995 0.109200001 11.41100030 10.7863998 -1.44840002 11.89669990 10.7551003-1.3326 9.518400190  12.6500998 -0.474700004 8.359299660! 11.9778004 0.696500003 9.277299880" 13.3334999 -0.0601999983 9.78330040# 14.0317001 -1.80869997 9.020600320$ 12.0881996 -5.67210007 11.07900050% -7.07932806 3.15892816 9.75599957 -3.7734999710.65240& -2.82741404 2.74584627 14.2526999 -6.7639999410.85320' 17.0769997 -5.08319998 6.195199970( 17.8015995 -4.3597002 7.467299940) 17.3656998 -2.23620009 6.630700110* 17.7996998 -3.06699991 5.293499950+ 15.7091999 -4.78830004 4.888599870, 14.3094997 -3.9841001 4.641900060- 13.8084002 -3.9749999 6.916999820. 14.3802996 -5.4843998 6.669700150/ 14.9378996 -1.927399993.195400 13.9601002 0.211500004 2.7313001201 14.3514996 1.24419999 6.7314000102 15.3277998 -0.896399975 7.1916999803 13.5578003 3.3520999 2.7072000504 13.24660021.778 2.4040000405 12.0745001 2.73990011 3.01020002056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgixc```d`0``` ЈA!! ,L*X, M̀, @h e̐z|W4A` \nXw/sсr@2Hc285c112-aba3-48e2-bb46-00986455913e OSA$54bf9331-33a6-425d-9d7b-2fb943159ca954 -7.40470409 0.471856207 11.3359003 -0.863300025 11.50179960 -7.05023146 1.40692246 11.6000996 -1.32200003 10.07699970 -7.68278599 2.18143821 12.4292002 -0.273900002 9.352700230 -6.06320381 1.56747305 12.3579998 -2.63969994 10.10120010 -5.4295063 0.793851554 13.6121998 -2.7033999 9.502499580 -4.44175863 0.950108171 14.3149004 -3.90380001 9.518199920 -4.08407784 1.88951933 13.7686005 -5.02950001 10.12679960 -4.71414614 2.67267299 12.5139999 -4.95830011 10.72369960 -5.70552397 2.50688362 11.8045998 -3.76090002 10.71170040 -6.33923864 3.28045034 10.5876999 -3.69180012 11.29059980 -3.09635305 2.04572368 14.4323997 -6.20499992 10.15419960 -3.81145453 0.17375972915.6208 -3.95180011 8.889200210 -4.16864014 -0.760273814 16.6298008 -3.69370008 9.545399670 -2.82396507 0.33144477 15.7337999 -4.29150009 7.536200050 -2.459409 1.26814878 14.8018999 -5.18720007 6.834499840 -1.4667846 1.4266544613.9396 -4.29729986 5.958799840 -0.838716328 0.648456156 14.8477001 -3.28430009 5.408999920 -1.19320023 -0.286640078 16.2171993 -3.78069997 5.263800140 -2.18582463 -0.445145339 16.8080997 -3.80080009 6.663000110 0.148773029 0.806142092 14.4344997 -1.99430001 5.07170010 0.78001523 0.0239344984 14.4919004 -0.986999989 6.029200080 1.77114296 0.19121053814.0836 0.30309999 5.706600190 2.12741351 1.13115656 13.6204004 0.567099988 4.42220020 1.49255633 1.90382648 13.5605001 -0.437599987 3.461499930 0.505043685 1.74608815 13.9701004-1.7263 3.788000110 3.11419916 1.29318714 13.19209961.9073 4.073200230 3.74791503 0.519621015 13.2379999 2.78399992 4.89130020 3.46726942 2.22878408 12.6848001 2.202100042.6710 12.2060003 -0.738699973 11.97859950 10.8374004 0.00350000011 11.48589990 10.7903996 -1.55280006 11.97830010 10.7299995 -1.44669998 9.600099560  12.6029997 -0.575699985 8.415399550! 11.9307003 0.592800021 9.336799620" 13.2993002 -0.149299994 9.829600330# 14.0047998 -1.89429998 9.065299990$ 12.1218996 -5.76739979 11.16139980% -7.07932806 3.15892816 9.76720047 -3.89219999 10.75520040& -2.82741404 2.74584627 14.2936001 -6.84000015 10.91409970' 14.2340002 -5.68139982 7.492599960( 15.3072004 -5.84200001 6.27239990) 13.5240002 -4.8302002 5.221799850* 13.2210999 -3.86350012 6.502600190+ 16.7460995 -3.17210007 4.672299860, 16.2129993 -4.70219994 4.875400070- 17.5967007 -4.4145999 6.700500010. 17.0884991 -2.88089991 6.937200070/ 14.8267002 -1.19019997 6.9492998100 14.1226997 1.031999956.390101 13.2249002 -0.234400004 2.5415999902 13.9310999 -2.45519996 3.1043999203 13.2636995 2.89840007 2.2467000504 12.7136002 1.36580002 2.1235001105 11.7434998 2.53600001 2.72040009056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgkxc```d`0``ʐ```$uЂ! 22Y@i@u )e:f).o;}X`.+]HQk@2H15de9769-aa8b-4652-8efd-855f6f5dc6d6 OSA$d0dfd05f-205c-4f9b-9a02-f17961787b2454 -7.40470409 0.471856207 11.2166004 -0.287099987 11.48180010 -7.05023146 1.40692246 11.4267998 -0.763000011 10.05360030 -7.68278599 2.18143821 12.2953997 0.237599999 9.308799740 -6.06320381 1.56747305 12.1140003 -2.11910009 10.06729980 -5.4295063 0.793851554 13.3506002 -2.25099993 9.44359970 -4.44175863 0.950108171 13.9885998 -3.48699999 9.449399950 -4.08407784 1.88951933 13.3958998 -4.58039999 10.07320020 -4.71414614 2.67267299 12.1592999 -4.44099998 10.69509980 -5.70552397 2.50688362 11.5143995 -3.2076001210.69310 -6.33923864 3.28045034 10.3149996 -3.07240009 11.29629990 -3.09635305 2.04572368 13.9966002 -5.78950024 10.09140010 -3.81145453 0.173759729 15.2769003 -3.60599995 8.794300080 -4.16864014 -0.760273814 16.3115005 -3.40030003 9.428899770 -2.82396507 0.3314447715.3441 -3.95479989 7.440400120 -2.18582463 -0.445145339 16.6100998-4.0948 6.707699780 -1.19320023 -0.286640078 16.7175999 -2.80769992 5.915500160 -0.838716328 0.648456156 15.3592997 -2.58240008 5.41459990 -1.4667846 1.42665446 14.6041002 -3.82690001 5.223700050 -2.459409 1.26814878 14.1553001 -4.20370007 6.619900230 0.148773029 0.80614209214.8378 -1.30900002 5.165400030 0.505043685 1.74608815 14.4158001 -0.983799994 3.880500080 1.49255633 1.90382648 13.8947001 0.279100001 3.618499990 2.12741351 1.13115656 13.8037996 1.20369995 4.653299810 1.77114296 0.19121053814.2254 0.883000016 5.939899920 0.78001523 0.0239344984 14.7454996 -0.381099999 6.197800160 3.11419916 1.29318714 13.2624998 2.52320004 4.393599990 3.74791503 0.51962101512.6861 3.1170001 5.262599950 3.46726942 2.22878408 13.4250002 3.15459991 3.020499940 12.1016998 -0.207699999 11.94040010 10.7645998 0.604900002 11.47280030 10.6450996-0.9454 11.97179990 10.5417995 -0.842400014 9.595000270  12.4337997 -0.0754999965 8.369199750! 11.8435001 1.12960005 9.299799920"13.1805 0.317000002 9.767499920# 13.7764997 -1.46500003 8.995499610$ 11.7336998 -5.22700024 11.14369960% -7.07932806 3.15892816 9.53660011 -3.62050009 10.98999980& -2.82741404 2.74584627 13.5523996-6.5618 10.54559990' 16.5823002 -4.88670015 6.097700120( 17.3787994 -4.18830013 7.340400220) 17.0091991 -2.05259991 6.502699850* 17.3628006 -2.90960002 5.158400060+ 15.1870003 -4.53970003 4.833600040, 13.8164997 -3.67630005 4.62620020- 13.3905001 -3.63170004 6.916100030. 13.8873997 -5.16629982 6.661600110/ 14.4869003 -1.65779996 3.1452000100 13.5890999 0.519299984 2.6970999201 14.1548996 1.55739999 6.6749000502 15.0510998 -0.621299982 7.119200230313.9333 4.01149988 3.1057000204 13.9252996 2.52819991 2.4226999305 12.5233002 3.33940005 2.62980008056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jglxc```d`0`ΐ``@.P$!2 Ҁ,K i21$icH"6Oy*X`.+]U4@2H7a8d4498-7dc3-4d0f-9f14-682b631a603a OSA$0219f359-dbef-4ec7-a09b-d5926cd24ca954 -7.40470409 0.47185620711.2921 -0.844500005 11.42500020 -7.05023146 1.40692246 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143821 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747305 12.2648001 -2.6610000110.04070 -5.4295063 0.793851554 13.5101004 -2.7565999 9.427700040 -4.44175863 0.950108171 14.1915998 -3.9690001 9.454099660 -4.08407784 1.88951933 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267299 12.3878002 -4.9717998510.69870 -5.70552397 2.50688362 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635305 2.04572368 14.2764997 -6.2614998810.12570 -3.81145453 0.173759729 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273814 16.5100002 -3.79979992 9.449299810 -2.82396507 0.33144477 15.5782003 -4.41349983 7.461200240 -2.18582463 -0.445145339 16.7928009 -5.12360001 7.017600060 -1.19320023 -0.286640078 16.5475998 -6.13100004 5.899799820 -0.838716328 0.648456156 15.4182997 -5.77979994 5.017399790 -1.4667846 1.42665446 14.2035999 -5.06949997 5.46059990 -2.459409 1.26814878 14.4483995 -4.06349993 6.579599860 0.148773029 0.806142092 15.5052004 -6.13999987 3.669600010 0.78001523 0.0239344984 14.3411999 -6.42159986 2.961999890 1.77114296 0.191210538 14.4130001 -6.7810998 1.620100020 2.12741351 1.13115656 15.6569004 -6.85430002 1.002799990 1.49255633 1.90382648 16.8239002 -6.574299811.70690 0.505043685 1.74608815 16.7478008 -6.21479988 3.048599960 3.11419916 1.29318714 15.7454004 -7.2276001 -0.3950999980 3.74791503 0.519621015 16.3887997 -6.55810022 -1.155300020 3.46726942 2.22878408 15.0233002 -8.46700001 -0.8980000020 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960  12.5249004 -0.628899992 8.318799970! 11.8850002 0.565999985 9.229499820" 13.2463999 -0.192399994 9.717200280# 13.9112997 -1.96169996 8.972700120$ 11.9870005 -5.76669979 11.15429970% -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970& -2.82741404 2.74584627 14.1363001 -6.8817000410.89750' 17.1763992 -5.6111002 7.801899910( 17.4519997 -4.4460001 6.691400050) 17.3757992 -6.191400055.34270* 16.3588009 -7.02139997 6.313899990+ 13.5437002 -5.74700022 5.785399910, 13.8210001 -4.58090019 4.676400180- 14.6357002 -3.1723001 6.166500090. 13.6203003 -4.00500011 7.137199880/ 13.4528999 -6.36560011 3.4179000900 13.5799999 -6.9843998 1.1054999801 17.7122002 -6.63119984 1.2510999402 17.5806999 -6.011499883.563203 15.6885004 -9.1079998-1.280904 14.5398998 -8.90229988 -0.13860000705 14.3664999 -8.20600033 -1.60549998056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgkxc```d`0``Ɛ`Đʐ`` @ CPJ$ +HeŚjMl=~3  Н\_rsŢKx@2H56c2eb80-6629-4fe2-aaab-cbeb14d76517 OSA$0ceeb9dc-7d67-42a2-8e3d-3ffde9a7dd1a54 -7.40470409 0.471856207 11.2105999 -0.945200026 11.45390030 -7.05023146 1.40692246 11.5271997 -1.37730002 10.03139970 -7.68278599 2.18143821 12.3540001 -0.300999999 9.347100260 -6.06320381 1.56747305 12.3130999 -2.67840004 10.06009960 -5.4295063 0.79385155413.5857 -2.70609999 9.498700140 -4.44175863 0.950108171 14.3140001 -3.89100003 9.518799780 -4.08407784 1.88951933 13.7750998 -5.03700018 10.09510040 -4.71414614 2.67267299 12.5018997 -5.00180006 10.65489960 -5.70552397 2.50688362 11.7667999 -3.82010007 10.63809970 -6.33923864 3.28045034 10.5319004 -3.78600001 11.18099980 -3.09635305 2.04572368 14.4636002 -6.19810009 10.12600040 -3.81145453 0.173759729 15.6388998 -3.90140009 8.928799630 -4.16864014 -0.760273814 16.6219006 -3.63100004 9.618599890 -2.82396507 0.33144477 15.7996998 -4.2189002 7.575200080 -2.18582463 -0.445145339 17.1077003 -4.25040007 6.906300070 -1.19320023 -0.286640078 17.1573009 -2.94429994 6.139800070 -0.838716328 0.648456156 15.8126001 -2.81150007 5.573400020 -1.4667846 1.42665446 15.1639004 -4.10519981 5.325600150 -2.459409 1.26814878 14.6756001 -4.54040003 6.691199780 0.148773029 0.806142092 15.2096996 -1.57620001 5.316800120 0.78001523 0.0239344984 14.8290997 -1.25940001 4.016900060 1.77114296 0.191210538 14.2279997 -0.0340999998 3.747400050 2.12741351 1.13115656 14.0159998 0.861599982 4.789800170 1.49255633 1.90382648 14.3957996 0.549300015 6.091400150 0.505043685 1.74608815 14.9962997 -0.677200019 6.356800080 3.11419916 1.29318714 13.3905001 2.14170003 4.522299770 3.74791503 0.519621015 12.3682003 2.19059992 3.895900010 3.46726942 2.2287840814.0295 3.4217999 5.035399910 12.0630999 -0.808600008 11.95829960 10.6936998 -0.0892999992 11.43500040 10.6666002 -1.65330005 11.90410040 10.6746998 -1.51390004 9.526900290  12.5623999 -0.585300028 8.411199570!11.8371 0.554799974 9.328200340" 13.2066002 -0.164399996 9.851499560# 13.9730997 -1.88230002 9.084799770$ 12.1149998 -5.82560015 11.06929970% -7.07932806 3.15892816 9.73239994 -3.99640012 10.61839960& -2.82741404 2.74584627 14.3163996 -6.84689999 10.87259960' 17.1702003 -5.03060007 6.283899780( 17.8486996 -4.29809999 7.576099870) 17.3614006 -2.18070006 6.752399920* 17.8453999 -2.9835999 5.415400030+ 15.8176003-4.7651 4.955399990, 14.3979998 -4.00250006 4.690800190- 13.8558998 -4.03259993 6.956299780. 14.4792995 -5.52080011 6.704899790/ 14.9875002 -1.91229999 3.2762999500 13.9517002 0.199699998 2.8152000901 14.2381001 1.20270002 6.8317999802 15.2726002 -0.91109997 7.2890000303 13.3929005 3.88980007 5.6483001704 14.8683004 3.19970012 5.532499790514.2479 4.01819992 4.26289988056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgixc```d`0`Ȑ`$ t̀t"PD"@V1C dSi@$|S&.j?N/rbQޥ_Y@2Hf1b41f07-60a4-4c78-b3d3-6dcfcafb6d52 OSA$6766277e-9621-49e4-9a1f-af93d009509654 -7.40470409 0.471856207 11.3564997-0.8926 11.54409980 -7.05023146 1.40692246 11.6176004 -1.36520004 10.12320040 -7.68278599 2.18143821 12.4518003 -0.327800006 9.389499660 -6.06320381 1.56747305 12.3685999 -2.68659997 10.15859990 -5.4295063 0.79385155413.6222 -2.76209998 9.560000420 -4.44175863 0.950108171 14.3185997 -3.96600008 9.585900310 -4.08407784 1.88951933 13.7667999 -5.08339977 10.20460030 -4.71414614 2.67267299 12.5128002 -5.00040007 10.80140020 -5.70552397 2.50688362 11.8095999 -3.79940009 10.77919960 -6.33923864 3.2804503410.5934 -3.7190001 11.35799980 -3.09635305 2.04572368 14.4244003 -6.26210022 10.24190040 -3.81145453 0.173759729 15.6239004 -4.02619982 8.956800460 -4.16864014 -0.760273814 16.6345997 -3.76769996 9.610300060 -2.82396507 0.33144477 15.7344999 -4.37839985 7.606699940 -2.18582463 -0.445145339 16.9204006 -5.07000017 7.078400140 -1.19320023 -0.286640078 17.1382999 -4.73129988 5.611700060 -0.838716328 0.64845615615.9628 -5.11119986 4.813399790 -1.4667846 1.4266544614.6671 -5.09549999 5.509399890 -2.459409 1.26814878 14.6697998 -4.07590008 6.638100150 0.148773029 0.806142092 16.0751991 -5.46999979 3.458300110 0.78001523 0.023934498415.6671 -6.73600006 3.051300050 1.77114296 0.191210538 15.7722998 -7.10400009 1.713899970 2.12741351 1.13115656 16.2882996 -6.19360018 0.7980999950 1.49255633 1.90382648 16.6984997 -4.92640018 1.200799940 0.505043685 1.74608815 16.5912991 -4.56220007 2.539099930 3.11419916 1.29318714 16.4030991 -6.56459999 -0.5985000130 3.74791503 0.519621015 17.4388008 -6.39669991 -1.180799960 3.46726942 2.2287840815.2114 -7.16629982 -1.325399990 12.2273998 -0.768400013 12.01939960 10.8625002 -0.0234999992 11.52079960 10.8077002 -1.57509995 12.02680020 10.7466002 -1.48950005 9.647899630 12.6236 -0.638800025 8.454700470! 11.9577999 0.541299999 9.366200450" 13.3227997 -0.203600004 9.864800450# 14.0187998 -1.95879996 9.115599630$ 12.1167002 -5.80359983 11.24629970% -7.07932806 3.15892816 9.77159977 -3.91980004 10.82470040& -2.82741404 2.74584627 14.2826996 -6.88969994 11.00749970' 16.7917004 -6.05740023 7.170700070( 17.7241993 -4.7881999 7.602300170) 17.2933006 -3.74760008 5.520899770* 17.9386005 -5.22730017 5.27500010+ 14.4882002 -6.00339985 5.888700010, 13.9475002 -4.85930014 4.856400010- 14.8217001 -3.16400003 6.256800170. 13.7853003 -4.09919977 7.104000090/ 15.2980003 -7.38140011 3.7200000300 15.4802999 -8.01239967 1.4146000101 17.0683002 -4.2814002 0.53210002202 16.8831997 -3.65380001 2.8383998903 15.4506998 -8.07759953 -1.6603000204 14.4371996 -7.23509979 -0.6963000305 14.9624004 -6.58199978 -2.09780002056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgnxc```d`0̐Ȑ``ʐĺ @`$M @4 +3,ls Na0;`*ik{` \nXw/s0.?@2Hcdab25f5-1b62-424d-9e1f-f094ef8070d6 OSA$eec53cb5-3c8f-496d-9dc1-d8ecb27e82cc54 -7.40470409 0.47185620711.2921 -0.844500005 11.42500020 -7.05023146 1.40692246 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143821 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747305 12.2648001 -2.6610000110.04070 -5.4295063 0.793851554 13.5101004 -2.7565999 9.427700040 -4.44175863 0.950108171 14.1915998 -3.9690001 9.454099660 -4.08407784 1.88951933 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267299 12.3878002 -4.9717998510.69870 -5.70552397 2.50688362 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635305 2.04572368 14.2764997 -6.2614998810.12570 -3.81145453 0.173759729 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273814 16.5100002 -3.79979992 9.449299810 -2.82396507 0.33144477 15.5782003 -4.41349983 7.461200240 -2.459409 1.26814878 16.7928009 -5.12360001 7.017600060 -1.4667846 1.42665446 16.5475998 -6.13100004 5.899799820 -0.838716328 0.648456156 15.4182997 -5.77979994 5.017399790 -1.19320023 -0.286640078 14.2035999 -5.06949997 5.46059990 -2.18582463 -0.445145339 14.4483995 -4.06349993 6.579599860 0.148773029 0.806142092 15.5052004 -6.13999987 3.669600010 0.505043685 1.74608815 16.6368999 -6.80760002 3.213200090 1.49255633 1.90382648 16.7364998-7.1724 1.874500040 2.12741351 1.1311565615.6952 -6.86100006 1.006999970 1.77114296 0.191210538 14.5615997 -6.19269991 1.458999990 0.78001523 0.0239344984 14.4657001 -5.82999992 2.798599960 3.11419916 1.29318714 15.7863998 -7.23570013 -0.3903000060 3.74791503 0.519621015 16.7702007 -6.96390009 -1.021399970 3.46726942 2.22878408 14.6359997 -7.97289991 -1.056200030 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960  12.5249004 -0.628899992 8.318799970! 11.8850002 0.565999985 9.229499820" 13.2463999 -0.192399994 9.717200280# 13.9112997 -1.96169996 8.972700120$ 11.9870005 -5.76669979 11.15429970% -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970& -2.82741404 2.74584627 14.1363001 -6.8817000410.89750' 17.1763992 -5.6111002 7.801899910( 17.4519997 -4.4460001 6.691400050) 17.3757992 -6.191400055.34270* 16.3588009 -7.02139997 6.313899990+ 13.5437002 -5.74700022 5.785399910, 13.8210001 -4.58090019 4.676400180- 14.6357002 -3.1723001 6.166500090. 13.6203003 -4.00500011 7.137199880/ 17.3789005 -7.02530003 3.8473000500 17.5471992 -7.65290022 1.5398999501 13.8200998 -5.97429991 0.82459998102 13.6549997 -5.34950018 3.1331999303 14.9580002 -8.85719967 -1.394500020413.9031 -8.1171999 -0.39129999305 14.2898998 -7.42939997 -1.82099998056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgjxc```d`0`& )  F@)e3,Lb@F@u@2 , RˀX`.+]\@2H4b44d713-0275-4712-9b55-cd23c2a42208 OSA$9eecf0da-28d0-42c5-ab28-79569bb945aa54 -7.40470409 0.471856207 11.2915001 -0.587700009 11.61880020 -7.05023146 1.40692246 11.5550003 -0.956200004 10.16779990 -7.68278599 2.18143821 12.4708004 0.0816999972 9.539799690 -6.06320381 1.56747305 12.2187996 -2.32240009 10.10439970 -5.4295063 0.793851554 13.4785995 -2.43000007 9.52410030 -4.44175863 0.950108171 14.0956001 -3.67499995 9.460200310 -4.08407784 1.88951933 13.4590998 -4.80140018 9.971899990 -4.71414614 2.67267299 12.1993999 -4.6862998 10.55099960 -5.70552397 2.50688362 11.5753002 -3.44400001 10.61820030 -6.33923864 3.28045034 10.3535004 -3.33229995 11.17990020 -3.09635305 2.04572368 14.0388002 -6.01989985 9.920800210 -3.81145453 0.173759729 15.4088001 -3.76830006 8.851699830 -4.16864014 -0.760273814 16.4183998 -3.6322999 9.542699810 -2.82396507 0.33144477 15.5282001 -4.01300001 7.478799820 -2.18582463 -0.445145339 14.5522003 -4.78520012 6.695099830 -1.19320023 -0.286640078 13.7735004 -3.77329993 5.875299930 -0.838716328 0.648456156 14.7618999 -2.78900003 5.41979980 -1.4667846 1.42665446 16.0965004 -3.36910009 5.260499950 -2.459409 1.26814878 16.6532001 -3.53570008 6.664000030 0.148773029 0.806142092 14.4469004 -1.45140004 5.174799920 0.78001523 0.0239344984 15.0938997 -0.45449999 5.897500040 1.77114296 0.191210538 14.7898998 0.882700026 5.663400170 2.12741351 1.1311565613.8364 1.20389998 4.703499790 1.49255633 1.90382648 13.1862001 0.209900007 3.978699920 0.505043685 1.74608815 13.4933004 -1.12600005 4.215600010 3.11419916 1.29318714 13.51070022.5934 4.449800010 3.74791503 0.519621015 13.2480001 3.32470012 5.364200120 3.46726942 2.22878408 13.5018997 3.12420011 3.02550006012.1573 -0.561200023 12.11839960 10.8549004 0.31099999 11.66049960 10.6890001 -1.27049994 12.03199960 10.6892004 -0.98269999 9.668199540  12.6442003 -0.160699993 8.585200310! 12.0341997 0.980400026 9.581500050" 13.33660030.1083 10.03950020#13.9361 -1.620200049.15660$ 11.7424002 -5.49599981 10.91899970% -7.07932806 3.15892816 9.71310043 -4.09929991 11.14050010& -2.82741404 2.74584627 13.8394003 -6.69850016 10.62769990' 13.9366999 -5.28569984 7.303899770(15.0232 -5.430300246.09340)13.3385 -4.21880007 5.092800140* 13.0749998 -3.331599956.43820+ 16.6795006 -2.75699997 4.72620010, 16.0370007 -4.25629997 4.802999970- 17.3962002 -4.20499992 6.668000220. 16.9906006 -2.66109991 7.012199880/15.7774 -0.698899984 6.5852999700 15.2516003 1.60430002 6.179200170112.5021 0.45449999 3.291500090213.0316-1.8477 3.6998000103 14.1684999 3.86490011 2.9416999804 13.7414999 2.38709998 2.3935999905 12.59000023.4698 2.80419993056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgixc```d`0``ɐ & @lĠːd%. 1,b @)C e Ҁʹ&t1  Н\_rsŢKxA@2H49cc4542-a5bb-4e21-8553-50dd62c45ff1 OSA$1803bca7-717c-460a-ad49-2a011cd03a9954 -7.40470409 0.471856207 11.2856998 -0.629299998 11.59640030 -7.05023146 1.40692246 11.5429001 -1.01460004 10.14869980 -7.68278599 2.18143821 12.4534998 0.0175000001 9.503800390 -6.06320381 1.56747305 12.2090998 -2.38019991 10.09840010 -5.4295063 0.793851554 13.4664001-2.4921 9.513299940 -4.44175863 0.95010817114.0857 -3.73659992 9.461199760 -4.08407784 1.88951933 13.4539003 -4.85809994 9.989500050 -4.71414614 2.67267299 12.1969004 -4.73850012 10.57339950 -5.70552397 2.50688362 11.5705004 -3.49679995 10.62880040 -6.33923864 3.28045034 10.3513002 -3.38080001 11.19499970 -3.09635305 2.04572368 14.0359001 -6.07590008 9.950200080 -3.81145453 0.173759729 15.3959999 -3.83450007 8.847499850 -4.16864014 -0.760273814 16.4087009-3.6882 9.531900410 -2.82396507 0.33144477 15.5092001 -4.09539986 7.47709990 -2.459409 1.26814878 14.5311003 -4.87900019 6.707499980 -1.4667846 1.42665446 13.7462997 -3.87859988 5.879399780 -0.838716328 0.648456156 14.7304001 -2.897799975.40730 -1.19320023 -0.286640078 16.0653992 -3.4770999 5.248499870 -2.18582463 -0.445145339 16.6292992-3.6257 6.651100160 0.148773029 0.806142092 14.4113998 -1.56389999 5.14790010 0.78001523 0.0239344984 13.3922005 -0.952799976 5.870699880 1.77114296 0.191210538 13.0641003 0.376100004 5.622700210 2.12741351 1.13115656 13.7653999 1.07780004 4.648200040 1.49255633 1.9038264814.7851 0.470299989 3.922199960 0.505043685 1.74608815 15.1105003 -0.85860002 4.173500060 3.11419916 1.29318714 13.4334002 2.46320009 4.380199910 3.74791503 0.519621015 13.0003996 3.15709996 5.258200170 3.46726942 2.22878408 13.6337004 3.03690004 2.98690009012.1538 -0.595000029 12.09140010 10.8473997 0.268900007 11.62940030 10.6865997 -1.30830002 12.02060030 10.6746998 -1.04890001 9.653599740  12.6226997-0.2359 8.551300050! 12.0151997 0.915799975 9.536800380"13.3216 0.0518000014 9.998900410# 13.9203997 -1.68599999 9.133799550$ 11.7433004 -5.54470015 10.95330050% -7.07932806 3.15892816 9.71220016 -4.14949989 11.16790010& -2.82741404 2.7458462713.8413 -6.74639988 10.66619970' 13.9195995 -5.37340021 7.325300220( 15.0003996 -5.53030014 6.111299990) 13.3084002 -4.33430004 5.104499820* 13.0495996 -3.43149996 6.440400120+ 16.6445007 -2.87030005 4.704100130, 16.0055008 -4.36980009 4.802000050-17.3736 -4.29349995 6.659500120. 16.9664993 -2.74640012 6.987199780/ 12.8952999 -1.46870005 6.5686001800 12.3325996 0.821500003 6.1391000701 15.2812996 0.986100018 3.2237999402 15.8418999 -1.30410004 3.657200103 14.2771997 3.80110002 3.0304999404 13.9987001 2.3276999 2.383699890512.757 3.3592999 2.63000011056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgixc```d`0` @`$ù9%'@҂!2@%o KRRuJ1\.7W,ʻt9@2Hf5515a45-6579-45b6-b80e-2eab9036baed OSA$64c27f54-f1de-47c7-840d-44a4dace1d7f54 -7.40470409 0.471856207 11.3566999 -0.89230001 11.54419990 -7.05023146 1.40692246 11.6169004 -1.36539996 10.12329960 -7.68278599 2.18143821 12.4506998 -0.328299999 9.388699530 -6.06320381 1.56747305 12.3676996-2.686810.15870 -5.4295063 0.793851554 13.6210003 -2.76270008 9.559300420 -4.44175863 0.950108171 14.3171997 -3.96659994 9.585100170 -4.08407784 1.88951933 13.7656002 -5.08379984 10.20450020 -4.71414614 2.67267299 12.5120001 -5.000500210.8020 -5.70552397 2.5068836211.809 -3.79940009 10.77989960 -6.33923864 3.28045034 10.5930996 -3.71869993 11.35939980 -3.09635305 2.04572368 14.4231005 -6.26259995 10.24180030 -3.81145453 0.173759729 15.6220999 -4.02729988 8.95520020 -4.16864014 -0.760273814 16.6331997 -3.76859999 9.60799980 -2.82396507 0.33144477 15.7318001 -4.37979984 7.605199810 -2.459409 1.26814878 16.9172993 -5.07180023 7.076300140 -1.4667846 1.42665446 17.1343002 -4.73360014 5.609300140 -0.838716328 0.648456156 15.9582996 -5.11359978 4.811900140 -1.19320023 -0.286640078 14.6630001 -5.09749985 5.508699890 -2.18582463 -0.445145339 14.6665001-4.0776 6.637100220 0.148773029 0.806142092 16.0697994 -5.47279978 3.456799980 0.505043685 1.74608815 17.2399998 -6.07310009 3.003900050 1.49255633 1.90382648 17.3637009 -6.43380022 1.666100030 2.12741351 1.13115656 16.3075008 -6.1862998 0.7960000040 1.77114296 0.191210538 15.1353998 -5.5854001 1.244500040 0.78001523 0.0239344984 15.0155001 -5.22650003 2.583199980 3.11419916 1.29318714 16.4235992 -6.55760002 -0.6003999710 3.74791503 0.519621015 17.3908997 -6.22910023 -1.230100040 3.46726942 2.2287840815.3202 -7.36289978 -1.266999960 12.2279997 -0.768000007 12.01900010 10.8627996 -0.0230999999 11.52089980 10.8080997 -1.57459998 12.02750020 10.7455997 -1.48969996 9.648599620  12.6218996 -0.639599979 8.453900340! 11.9568005 0.540899992 9.365500450" 13.3219995 -0.204099998 9.863499640# 14.0172997 -1.95959997 9.114399910$ 12.1161003 -5.80350018 11.24750040% -7.07932806 3.15892816 9.77099991 -3.91950011 10.82670020& -2.82741404 2.74584627 14.2818003 -6.88990021 11.00759980' 16.7884998 -6.05910015 7.169000150( 17.7215004 -4.78989983 7.599599840) 17.2894001 -3.7499001 5.518199920* 17.9344006 -5.22980022 5.27239990+ 14.4841995 -6.00519991 5.888400080, 13.9429998 -4.86140013 4.856200220- 14.8183002 -3.16580009 6.255400180.13.7823 -4.10059977 7.103600030/ 17.9922009 -6.24520016 3.6398999700 18.2021008 -6.86600018 1.3341000101 14.3835001 -5.41260004 0.60829997102 14.1771002 -4.79430008 2.9152998903 15.6947002 -8.22710037 -1.6028000104 14.5958996 -7.54909992 -0.60310000205 14.9441004 -6.84229994 -2.03349996056          ! "!#"$#%$& %' &(')(*)+*,+-,.-/.0/10213243546572080I{jgkxc```d`0`̐$ Ltl # ˄!!(KʁČlK ;(na @=w}ޏX`.+]@@2Ha3ba15f7-a082-4ce3-ae72-2a97c32f3f08Hc285c112-aba3-48e2-bb46-00986455913eKd}M@!AJ?)?㞠?)? ?j@? ?\?j@?\f?c4?Ծ-@z@?? ?z@?e?j@?j@? ?j@?j@?l ͨH@?*F@7_?حݠ0Cbc@.o1-(4-(Piperazin-1-yl)phenyl)ethanone, 1-(4-(piperazin-1-yl)phenyl)ethanone, 1-(4-ACETYLPHENYL)PIPERAZINE, 1-(4-Acetylphenyl)piperazine, 1-(4-Piperazin-1-yl-phenyl)-ethanone, 1-(4-Piperazin-1-yl-phenyl)ethanone, 1-(4-Piperazin-1-yl-phenyl)ethanone?, 1-(4-Piperazin-1-ylphenyl)ethanone, 1-[4-(Piperazin-1-yl)phenyl]ethan-1-one, 1-[4-(piperazin-1-yl)phenyl]ethanone, 4'-(1-Piperazinyl)acetophenone, 4'-(Piperazin-1-yl)acetophenone, 4-Piperazinoacetophenone, 15957, 2655, 4H17-1-23, 509111, 84467, A10273, AJP01907, AK122324, AS51365, AX8014119, B14119, B22832, BBL016329, BBS-00027456, BBV-00040722, BB_SC-01973, F2190-0511, JK509111, OR0219, P67186, QE-5662, STK400476, STOCK6S-62440, STR06370, X-4409, XS001107.OIɡ+s 8RA͎|s C11H22N2iei,Lyvt?ݝ+?ɠ-?e 8Bqi?? =??z?RzTT?z?z?z?R?z??z?zhigh?Qlow?\)85ڄHܨ'UMB& Z& qZq?5k` ???s-?s?,ww@ T?TҺ}^F2_Ж-zzzz?zz?z??zz?Tzzz?TzP?Tzzz?Tyes?no?€8w(CAg729#F.AõmYSecondary Amines:Fragment1_080I{jgHbfac6b41-d8d6-400f-8fe2-5ceee39ca3394N-pS D٨nJ7PS vhttps://www.emolecules.com/cgi-bin/find?id=96626912*@^?\?\?\?\?\?\?\low?high? medium?very high?8C Xcu1BlRO@Z/՞PEnamine BB - EU Stock3HDeC|gj%UCc)714ɤ߇GꚒ<USDҒtHs Z???O` 2C9 pKi?k@*2D6 affinity category?BBB category?Ov`0BBB log([brain]:[blood])?à6FlexX Score 2XJX XJX_A_1232?THIA category?k`P-gp category?$ PPB90 category?jhERG pIC50?FlogP? logS? wC#<-SA MFCD20670828`jfFow{v\ preferredm IEۜ.MOE 96626912bRƾDBB EN300-367552yNq+xhttps://www.emolecules.com/cgi-bin/more?vid=96626912c#r@G|C1jKJAodZCC(C)c1cc(c(cc1O)O)C(=O)N2CCC(CC2)(C)N3CCCCC3/rO]+p|4_5"7]+ " bZ¶ }n)eau~%.vX>'(ABɓ Ш$Kl)OSA$b2c9fa9f-d335-4d32-99df-7b4c9852288958 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.18582439 -0.445145279 16.7479992 -5.12190008 6.929999830 -1.19319999 -0.286639988 16.9927998 -4.57200003 5.53280020 -0.838715971 0.648455501 15.8065996 -4.79220009 4.605400090 -0.182882667 1.4033612 15.6532001 -3.55259991 3.738899950 -1.46678448 1.42665434 14.5479002 -5.08360004 5.406300070 -2.45940876 1.26814878 14.4785995 -4.083000186.54670 0.0195996109 0.135333449 16.0224991 -5.93580008 3.708199980 0.900499523 0.619410634 15.2919998 -5.67869997 2.454900030 1.76327884 0.103620946 15.9184999 -6.4138999 1.280799980 1.74515831 -0.896246016 17.2768002 -5.78739977 0.9904999730 0.873013437 -1.38555717 17.9575005 -5.30420017 2.264600040 0.0102340505 -0.869767666 17.4528999 -6.14729977 3.427000050 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 16.5655003 -6.10419989 6.886700150& 17.5456009 -4.95629978 7.510099890' 17.1690998 -3.58999991 5.60069990( 17.7931995 -5.02829981 5.143899920) 14.8710003 -3.66840005 3.126800060* 15.5044003 -2.75430012 4.322500230+ 16.4834003 -3.41950011 3.197400090, 14.5853996 -6.01359987 5.771999840- 13.7427998 -4.98789978 4.820899960. 14.5889997 -3.15289998 6.196499820/ 13.6007004 -4.15929985 7.0194001200 15.3052998 -4.69659996 2.2671999901 14.3459997 -5.98479986 2.5620000402 15.3295002 -6.33069992 0.47699999803 16.0345001 -7.38019991 1.5104000604 17.1499996 -5.00909996 0.37549999405 17.8605995 -6.46899986 0.54949998906 18.9484005-5.4066 2.1779999707 17.7343006 -4.34240007 2.423000108 17.5958996 -7.11240005 3.2070999109 17.9776001 -5.91050005 4.24469995060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jg OSA$b2c9fa9f-d335-4d32-99df-7b4c9852288958 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.18582439 -0.445145279 16.7479992 -5.12190008 6.929999830 -1.19319999 -0.286639988 16.9927998 -4.57200003 5.53280020 -0.838715971 0.648455501 15.8065996 -4.79220009 4.605400090 -0.182882667 1.4033612 15.6532001 -3.55259991 3.738899950 -1.46678448 1.42665434 14.5479002 -5.08360004 5.406300070 -2.45940876 1.26814878 14.4785995 -4.083000186.54670 0.0195996109 0.135333449 16.0224991 -5.93580008 3.708199980 0.900499523 0.619410634 15.2919998 -5.67869997 2.454900030 1.76327884 0.103620946 15.9184999 -6.4138999 1.280799980 1.74515831 -0.896246016 17.2768002 -5.78739977 0.9904999730 0.873013437 -1.38555717 17.9575005 -5.30420017 2.264600040 0.0102340505 -0.869767666 17.4528999 -6.14729977 3.427000050 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 16.5655003 -6.10419989 6.886700150& 17.5456009 -4.95629978 7.510099890' 17.1690998 -3.58999991 5.60069990( 17.7931995 -5.02829981 5.143899920) 14.8710003 -3.66840005 3.126800060* 15.5044003 -2.75430012 4.322500230+ 16.4834003 -3.41950011 3.197400090, 14.5853996 -6.01359987 5.771999840- 13.7427998 -4.98789978 4.820899960. 14.5889997 -3.15289998 6.196499820/ 13.6007004 -4.15929985 7.0194001200 15.3052998 -4.69659996 2.2671999901 14.3459997 -5.98479986 2.5620000402 15.3295002 -6.33069992 0.47699999803 16.0345001 -7.38019991 1.5104000604 17.1499996 -5.00909996 0.37549999405 17.8605995 -6.46899986 0.54949998906 18.9484005-5.4066 2.1779999707 17.7343006 -4.34240007 2.423000108 17.5958996 -7.11240005 3.2070999109 17.9776001 -5.91050005 4.24469995060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgkxc```d`0ĐƐȐ`d0220Xe`i@Le0LjSИN@7lc@@; Ey.2k_@2Hbfac6b41-d8d6-400f-8fe2-5ceee39ca339 OSA$e5965e3c-7251-441f-896e-8ba6c9e6ccc358 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.45940876 1.26814878 16.7479992 -5.12190008 6.929999830 -1.46678448 1.42665434 16.9927998 -4.57200003 5.53280020 -0.838715971 0.648455501 15.8065996 -4.79220009 4.605400090 -0.182882667 1.4033612 15.6532001 -3.55259991 3.738899950 -1.19319999 -0.286639988 14.5479002 -5.08360004 5.406300070 -2.18582439 -0.445145279 14.4785995 -4.083000186.54670 0.0195996109 0.135333449 16.0224991 -5.93580008 3.708199980 0.900499523 0.619410634 14.8867998 -6.164000032.80460 1.76327884 0.103620946 14.9968996 -5.35790014 1.521499990 1.74515831 -0.896246016 16.1588001 -5.90840006 0.7081999780 0.873013437 -1.3855571717.2409 -6.47319984 1.615200040 0.0102340505 -0.869767666 17.2317009 -5.67609978 2.911099910 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 16.5655003 -6.10419989 6.886700150& 17.5456009 -4.95629978 7.510099890' 17.1690998 -3.58999991 5.60069990( 17.7931995 -5.02829981 5.143899920) 14.8710003 -3.66840005 3.126800060* 15.5044003 -2.75430012 4.322500230+ 16.4834003 -3.41950011 3.197400090, 14.5853996 -6.01359987 5.771999840- 13.7427998 -4.98789978 4.820899960. 14.5889997 -3.15289998 6.196499820/ 13.6007004 -4.15929985 7.0194001200 14.0439997 -5.90399981 3.2760000201 14.8521004 -7.13590002 2.571500060215.1629 -4.39629984 1.7397999803 14.1491003 -5.43930006 0.99750000204 16.5478992 -5.17229986 0.15430000405 15.8228998 -6.63490009 0.10859999806 17.0534992 -7.43639994 1.8078999507 18.1331997 -6.38950014 1.1715999808 18.0347996 -5.92819977 3.4509999809 17.2705002 -4.7013998 2.69109988060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jglxc```d`0`` @h 1dHuLȲ&1$Y )@l` @@:ɞ,c@@; Ey.2@2H2401bb79-0d2f-4035-a32a-9ce684d25364 OSA$3c62a8fe-a813-46f9-a8b7-be02ac4a5b5458 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.18582439 -0.445145279 16.7465992 -5.12260008 6.923999790 -1.19319999 -0.286639988 16.2233009 -5.98460007 5.780499940 -0.838715971 0.648455501 15.7861996 -5.15189981 4.588300230 -0.182882667 1.4033612 16.9510002 -4.78639984 3.679899930 -1.46678448 1.42665434 15.2229996 -3.86389995 5.174300190 -2.45940876 1.26814878 14.5166998 -4.10710001 6.495800020 0.0195996109 0.135333449 14.7671003 -5.91090012 3.853699920 0.0102340505 -0.869767666 13.8006001 -5.040200233.1710 0.873013437 -1.3855571714.2612 -4.64410019 1.778499960 1.74515831 -0.896246016 14.2419996 -5.88380003 0.8968999980 1.76327884 0.103620946 14.5242004 -7.13689995 1.710800050 0.900499523 0.619410634 15.4471998 -6.75460005 2.858299970 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 17.1613007 -5.69659996 7.630099770& 17.4239006 -4.4696002 6.585000040' 16.9486008 -6.60830021 5.489200120( 15.4405003 -6.51370001 6.108200070)16.6187 -4.2269001 2.920599940* 17.6310997 -4.27089977 4.201000210+ 17.3684998 -5.62120008 3.32100010, 14.5704002 -3.47160006 4.526000020- 15.9737997 -3.22020006 5.322299960. 14.0129004 -3.29040003 6.777299880/ 13.8844995 -4.87779999 6.4166002300 13.6745996 -4.21099997 3.715699910112.9291 -5.52489996 3.0954000902 15.1894999 -4.27470016 1.8219000103 13.6444998 -3.9525001 1.4025000304 14.9401999 -5.79099989 0.18700000605 13.3416004 -5.96729994 0.46990001206 13.6682997 -7.50649977 2.0725998907 14.9665003 -7.82369995 1.1340999608 15.7676001 -7.58890009 3.3067998909 16.2297001 -6.25250006 2.48990011060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgixc```d`0`Đ`` tLR 2XYI )`bYP)P}*ԛzgX` \nXw/s@2H2a76203f-4e11-45f8-bddd-b9b8753e9a2e OSA$96b4c04a-dcf8-4ab0-a71c-f0c095f16f4658 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.18582439 -0.445145279 16.8971996 -4.49389982 6.814099790 -1.19319999 -0.286639988 16.7915993 -4.12069988 5.342599870 -0.838715971 0.648455501 15.5543003 -3.28379989 5.053599830 -0.182882667 1.4033612 15.4703999 -2.00289989 5.874199870 -1.46678448 1.42665434 14.4018002 -4.24860001 5.283400060 -2.45940876 1.26814878 14.3212004 -4.66239977 6.743199830 0.0195996109 0.135333449 15.5389996 -2.81570005 3.662400010 0.900499523 0.61941063414.8357 -1.52620006 3.568200110 1.76327884 0.103620946 14.7676001 -1.03670001 2.130800010 1.74515831 -0.896246016 16.1749001 -0.9235000011.56610 0.873013437 -1.38555717 16.8689003 -2.27259994 1.665599940 0.0102340505 -0.869767666 16.9013996 -2.72909999 3.115700010 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 17.2455006 -5.42799997 6.892300130& 17.5270996 -3.86420012 7.268700120' 17.6032009 -3.59710002 5.083300110( 16.7481995 -4.95909977 4.799300190) 14.6254997 -1.51760006 5.649099830* 15.4751997 -2.22989988 6.848000050+ 16.2555008 -1.42030001 5.66389990, 14.5397997 -5.06300024.71980- 13.5454998 -3.80340004 5.021900180. 13.5888996 -4.14379978 7.184500220/ 14.1124001 -5.63929987 6.789500240015.3223 -0.84890002 4.1199998901 13.9057999 -1.63610005 3.9189999102 14.3249998 -0.140400007 2.1045999503 14.2397003 -1.68529999 1.582499980416.6903 -0.243900001 2.0880999605 16.1282005 -0.64230001 0.60759997406 16.3700008 -2.94379997 1.1173000307 17.8045006 -2.19079995 1.3222999608 17.3337994 -3.62930012 3.1670999509 17.4305992 -2.07380009 3.65459991060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgixc```d`0```%-,t R1e O,`C"P(n OaH,f`@@; Ey.2@2H45145189-0d93-4c5b-907b-0ad8594df582 OSA$6f719019-80a6-4f89-82b1-d21ee16cd16d58 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.18582439 -0.445145279 16.8971996 -4.49389982 6.814099790 -1.19319999 -0.286639988 16.7915993 -4.12069988 5.342599870 -0.838715971 0.648455501 15.5543003 -3.28379989 5.053599830 -0.182882667 1.4033612 15.4703999 -2.00289989 5.874199870 -1.46678448 1.42665434 14.4018002 -4.24860001 5.283400060 -2.45940876 1.26814878 14.3212004 -4.66239977 6.743199830 0.0195996109 0.135333449 15.5389996 -2.81570005 3.662400010 0.900499523 0.61941063414.6671 -3.62960005 2.80469990 1.76327884 0.103620946 13.2302999 -3.13560009 2.805000070 1.74515831 -0.89624601613.1875 -1.78639996 2.103399990 0.873013437 -1.38555717 14.4918003 -1.02890003 2.29679990 0.0102340505 -0.869767666 15.0678997-1.4217 3.648999930 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 17.2455006 -5.42799997 6.892300130& 17.5270996 -3.86420012 7.268700120' 17.6032009 -3.59710002 5.083300110( 16.7481995 -4.95909977 4.799300190) 14.6254997 -1.51760006 5.649099830* 15.4751997 -2.22989988 6.848000050+ 16.2555008 -1.42030001 5.66389990, 14.5397997 -5.06300024.71980- 13.5454998 -3.80340004 5.021900180. 13.5888996 -4.14379978 7.184500220/ 14.1124001 -5.63929987 6.7895002400 14.6822996 -4.57340002 3.1347000601 15.0173998 -3.59800005 1.8686000102 12.9069004 -3.0374999 3.7462000803 12.6485996 -3.78780007 2.3190000104 12.4362001 -1.24520004 2.4811999805 13.0353003 -1.931100011.125706 15.1353998 -1.27069998 1.5706000307 14.3189001 -0.0441999994 2.2746999308 15.8373003 -0.818700016 3.859800109 14.3590002 -1.31350005 4.34590006060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgkxc```d`0``` $u RҀ,3 e``@: He@:|{^yX`.+]l@2H2752b292-a1df-4674-9301-081b8e492210 OSA$8c4d341e-4f70-4907-b7c2-2adf31c8f96858 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.45940876 1.26814878 16.8971996 -4.49389982 6.814099790 -1.46678448 1.42665434 16.7915993 -4.12069988 5.342599870 -0.838715971 0.648455501 15.5543003 -3.28379989 5.053599830 -0.182882667 1.4033612 15.4703999 -2.00289989 5.874199870 -1.19319999 -0.286639988 14.4018002 -4.24860001 5.283400060 -2.18582439 -0.445145279 14.3212004 -4.66239977 6.743199830 0.0195996109 0.135333449 15.5389996 -2.81570005 3.662400010 0.0102340505 -0.869767666 16.8817997 -2.40759993 3.221999880 0.873013437 -1.3855571716.8848 -2.13039994 1.727300050 1.74515831 -0.89624601615.4937 -1.75670004 1.238999960 1.76327884 0.103620946 14.8137999 -0.897599995 2.294199940 0.900499523 0.619410634 14.5832996 -1.70280004 3.56259990 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 17.2455006 -5.42799997 6.892300130& 17.5270996 -3.86420012 7.268700120' 17.6032009 -3.59710002 5.083300110( 16.7481995 -4.95909977 4.799300190) 14.6254997 -1.51760006 5.649099830* 15.4751997 -2.22989988 6.848000050+ 16.2555008 -1.42030001 5.66389990, 14.5397997 -5.06300024.71980- 13.5454998 -3.80340004 5.021900180. 13.5888996 -4.14379978 7.184500220/ 14.1124001 -5.63929987 6.7895002400 17.5319004 -3.14050007 3.423000101 17.1520996 -1.57879996 3.711800102 17.1919994 -2.94989991 1.2433999803 17.5121994 -1.37559998 1.5360000104 14.9575996-2.5869 1.0858999505 15.5649996 -1.24349999 0.38370001306 15.3949003 -0.111299999 2.5037999207 13.9341002 -0.577700019 1.9422999608 14.6955996 -1.10339999 4.3551001509 13.6534004 -2.0704999 3.55180001060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jglxc```d`0ĐF  f i ) @hd0imT``̐ d[qP-H P㩛:ׄ3  Н\_rsŢKx!/@2Hbaa20e6f-d778-458f-844b-93c494fd45e6 OSA$d7fd7ef3-5a8a-4963-b2e2-8748b2707dc358 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.18582439 -0.445145279 16.7868004 -5.12150002 7.013400080 -1.19319999 -0.286639988 17.1551991 -4.76809978 5.579199790 -0.838715971 0.648455501 15.9562998 -4.74599981 4.640200140 -0.182882667 1.4033612 15.3556004 -6.13049984 4.449299810 -1.46678448 1.42665434 14.9278002 -3.74609995 5.154200080 -2.45940876 1.26814878 14.4644003 -4.0387001 6.575399880 0.0195996109 0.135333449 16.4214993 -4.27750015 3.326800110 0.900499523 0.619410634 16.7576008 -2.84780002 3.443399910 1.76327884 0.103620946 17.7963009 -2.43109989 2.414200070 1.74515831 -0.896246016 19.1194992 -3.09789991 2.769099950 0.873013437 -1.38555717 18.9083996 -4.4762001 3.382400040 0.0102340505 -0.869767666 17.5937996 -5.03730011 2.859400030 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 16.6236992 -6.10640001 7.071300030& 17.5480995 -4.87389994 7.612599850' 17.5797997 -3.86269999 5.573900220( 17.8097992 -5.44519997 5.243000030) 16.0522995 -6.74889994 4.085700040* 15.0291996 -6.476500035.3290+ 14.5903997 -6.0763998 3.807800050, 14.1318998 -3.76959991 4.549200060- 15.3348999 -2.83299994 5.134300230. 14.0208998 -3.22129989 6.943200110/13.8069 -4.79180002 6.5501999900 17.1198006 -2.67330003 4.3590002101 15.9279003 -2.30710006 3.3043999702 17.9048004 -1.43710005 2.4272000803 17.5048008 -2.72270012 1.5031000404 19.6068001 -2.52209997 3.4256000505 19.6676006 -3.19330001 1.9380999806 19.6611996 -5.08080006 3.1221001107 18.8708992 -4.40049982 4.3787999208 17.6117992 -5.0138998 1.8597999809 17.5049992 -5.98400021 3.16910005060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgnxc```d`0̐`ΐ````̠ $S,@1 edÙ"@U@9#$C45ع{?N/rbQޥ_@2Hca7e4093-9d8c-4830-84ea-460e9e32b1f4 OSA$9a5ca606-e737-4cad-a1fc-b7522053e0ac58 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.18582439 -0.445145279 16.8971996 -4.49389982 6.814099790 -1.19319999 -0.286639988 16.7915993 -4.12069988 5.342599870 -0.838715971 0.648455501 15.5543003 -3.28379989 5.053599830 -0.182882667 1.4033612 15.4703999 -2.00289989 5.874199870 -1.46678448 1.42665434 14.4018002 -4.24860001 5.283400060 -2.45940876 1.26814878 14.3212004 -4.66239977 6.743199830 0.0195996109 0.135333449 15.5389996 -2.81570005 3.662400010 0.0102340505 -0.869767666 14.8383999 -1.52620006 3.553100110 0.873013437 -1.38555717 14.8671999 -1.04910004 2.10929990 1.74515831 -0.896246016 14.3150997 -2.09960008 1.158400060 1.76327884 0.10362094613.8476-3.3441 1.905500050 0.900499523 0.61941063414.9782 -3.85960007 2.784300090 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 17.2455006 -5.42799997 6.892300130& 17.5270996 -3.86420012 7.268700120' 17.6032009 -3.59710002 5.083300110( 16.7481995 -4.95909977 4.799300190) 14.6254997 -1.51760006 5.649099830* 15.4751997 -2.22989988 6.848000050+ 16.2555008 -1.42030001 5.66389990, 14.5397997 -5.06300024.71980- 13.5454998 -3.80340004 5.021900180. 13.5888996 -4.14379978 7.184500220/ 14.1124001 -5.63929987 6.789500240015.2914 -0.851199985 4.1354999501 13.8893003 -1.63740003 3.847700120215.8125 -0.845799983 1.8539999703 14.3149004 -0.219099998 2.031199930415.0316-2.3599 0.51120001105 13.5405998 -1.71060002 0.65960001906 13.0593996 -3.11420012 2.47639990713.5878 -4.05060005 1.2473000308 14.6267996 -4.60220003 3.3545000609 15.7075005 -4.20790005 2.1954999060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgixc```d`0```d%33 @Q] @(5uY@93j=f@@; Ey.2>)@2Hde520dc7-23ae-4add-a0e7-030525309a62 OSA$8c135fc0-5818-487e-9a9a-e7833fc2e37758 -7.40470409 0.47185635611.2921 -0.844500005 11.42500020 -7.05023193 1.40692258 11.5300999 -1.33060002 10.00459960 -7.68278599 2.18143845 12.3683004 -0.309100002 9.253299710 -6.06320381 1.56747293 12.2648001 -2.6610000110.04070 -5.42950678 0.793851674 13.5101004 -2.7565999 9.427700040 -4.44175816 0.95010823 14.1915998 -3.9690001 9.454099660 -4.08407831 1.88951921 13.6332998 -5.07490015 10.08759980 -4.71414614 2.67267275 12.3878002 -4.9717998510.69870 -5.70552397 2.50688338 11.6995001 -3.76220012 10.67609980 -6.33923864 3.28045034 10.4914999 -3.66230011 11.26879980 -3.09635329 2.0457232 14.2764997 -6.2614998810.12570 -3.8114543 0.173759788 15.4884005 -4.05030012 8.809900280 -4.16864014 -0.760273695 16.5100002 -3.79979992 9.449299810 -2.82396483 0.3314448 15.5781002 -4.41279984 7.463799950 -2.45940876 1.26814878 16.7915001 -5.12220001 7.020500180 -1.46678448 1.42665434 16.4899006 -6.117599965.90660 -0.838715971 0.648455501 15.5446997 -5.57340002 4.842299940 -0.182882667 1.4033612 16.1938992 -4.46479988 4.026800160 -1.19319999 -0.286639988 14.2446003 -5.1111002 5.489399910 -2.18582439 -0.44514527914.4487 -4.07189989 6.582600120 0.0195996109 0.135333449 15.2249002 -6.67180014 3.919300080 0.900499523 0.619410634 14.3109999 -6.15140009 2.887599950 1.76327884 0.103620946 14.4172001 -6.94379997 1.594300030 1.74515831 -0.896246016 15.7825003 -6.67229986 0.9746999740 0.873013437 -1.38555717 16.8528004 -6.4678998 2.039099930 0.0102340505 -0.869767666 16.4356995 -7.22730017 3.290400030 12.1702003 -0.727800012 11.88889980 10.80879970.0307 11.40120030 10.7405996-1.5165 11.91930010 10.6519003 -1.44719994 9.540699960 12.5249004 -0.628899992 8.318799970 11.8850002 0.565999985 9.229499820  13.2463999 -0.192399994 9.717200280! 13.9112997 -1.96169996 8.972700120" 11.9870005 -5.76669979 11.15429970# -7.07932806 3.15892816 9.66090012 -3.85649991 10.74699970$ -2.82741404 2.74584603 14.1363001 -6.8817000410.89750% 17.1805992 -5.61520004 7.798699860& 17.4538994 -4.45219994 6.685400010' 17.3514004 -6.36940002 5.465700150( 16.0734997 -6.93079996 6.313399790) 15.5573997 -4.15380001 3.320899960* 16.4244003 -3.69980001 4.628200050+ 17.0263996 -4.81220007 3.595299960, 13.7895002-5.9066 5.889500140- 13.6611996 -4.71490002 4.780499940. 14.6281996 -3.185499916.15590/ 13.6156998 -4.01440001 7.1329002400 14.5409002 -5.195899962.702601 13.3720999 -6.20870018 3.227099902 13.6967001 -6.65740013 0.96270000903 14.3221998 -7.92030001 1.7877999504 15.7244997 -5.84849977 0.4108000105 16.0391998 -7.45090008 0.40209999706 17.7294006 -6.81739998 1.7082999907 16.9398003 -5.49389982 2.2481999408 16.2583008 -8.17949963 3.0418999209 17.1849995 -7.1894002 3.95160007060          ! "!#"$ #% $&%'&(')(*)+*,+-,.-/.0/102132435465768798:9;2080I{jgkxc```d`0̐`Ȑ``ƐƠ`$L, Vº`:!(j d1y I#;q8\.7W,ʻt9cRa@2Hcb4ad26f-8fb5-4c08-b4b4-4bfe89421f8bHbfac6b41-d8d6-400f-8fe2-5ceee39ca339Kd}M@!AJ?ԙ`?T?ԙ`? ?@? ?>`?@?>`˾ ?9`.?o@u ?R ?4 ?R u ?ԙ`??V?R ?R ?R ?V@ ՗?حݠ0Cbc@.oi4'-Methyl-[1,4']bipiperidinyl, 4-methyl-4-(piperidin-1-yl)piperidine, 174286, BBV-39956370, EN300-367552%bKϯ_. 8RA͎|s C13H18N2iei,Lyvt?ݝ?ݝ+?ɠ-?e 8Bqi?~?G?33@?ə?Q?33@?Qzz?z?R?T?z?z?Tz?T? =?ə?33@?33@?33@?33@?33@high?ᙙlow?85ڄHܨ'UMBÂրcY@Âր& v@& v@?їO?4`5?dG ??֙{o`F?@?`?@9& & & & & @ ?TҺ}^F2_Ж-?z?z?z?z?z?P?P?z?z?z?zTz??z?z?P?P?z?z?z??z?P?P?P?P?Pyes?Qno?θQ8w(CAg18#F.AõmYSecondary Amines:Fragment1_080I{jgHf5232c49-82ca-48fd-ba76-3247d2e2d2b74"sO-pS D٨nJ7??%`?!? ?P?<??p?`?җ?u@?`??`?u@@`?௩j/ KP>PS vhttps://www.emolecules.com/cgi-bin/find?id=36251563*@^?Ѱ?@?Ѱ?Ѱ?@low?high?;` medium?very high?8C Xcu2BlRO@Z/՞P AstaTech3HDeC|gj%UCc)385ɤ߇GꚒ<USDҒtHs Z??F?@ 2C9 pKi?r *2D6 affinity category?BBB category?0BBB log([brain]:[blood])?M6FlexX Score 2XJX XJX_A_1232?HHIA category?k`P-gp category?9`PPB90 category?z@hERG pIC50?*logP?WlogS?wC#<-SA MFCD11501198`jfFow{v\ standardm IEۜ.MOE 36251563bRƾDBB53914yNq+xhttps://www.emolecules.com/cgi-bin/more?vid=36251563c#r@G|C0.25jKJAod^CC(C)c1cc(c(cc1O)O)C(=O)N2CCC3C2CN(C3)Cc4ccccc4?ro\;ytdGu#?] +M2bZ݈|1eD&aۙ%>wz>Pԧlcɓ-Kϔjڨ+`OSA$209fdf07-c748-4460-8580-f5ab8db5226456 -7.4050746 0.437915176 11.7054005 -0.522400022 11.02620030 -7.083776 1.3848934212.0611 -1.04910004 9.645400050 -7.74323463 2.13663459 13.0335999 -0.0934000015 8.973600390 -6.10302019 1.58012986 12.7062998 -2.41939998 9.776499750 -5.44245148 0.829322517 14.0008001 -2.59990001 9.299900050 -4.46082401 1.02029335 14.6012001 -3.84949994 9.414099690 -4.13647366 1.97172666 13.9139004 -4.90810013 9.999400140 -4.79375124 2.73218822 12.6197004 -4.7202000610.4740 -5.77866983 2.53156257 12.0120001 -3.47300005 10.36289980 -6.43925381 3.28231478 10.7566996 -3.29080009 10.82320020 -3.15486717 2.16264462 14.4765997 -6.12949991 10.12090020 -3.80355048 0.266641051 15.9511003 -4.01919985 8.911700250 -4.12759542 -0.679400504 16.9134007 -3.81690001 9.652199750 -2.82223177 0.4590303 16.1595993 -4.4131999 7.585100170 -2.39655018 1.37000418 17.4782009 -4.5862999 6.964700220 -1.398368 1.24651742 17.2061996 -5.05060005 5.552599910 -1.20754194 0.259246707 15.8259001 -4.48769999 5.272099970 -0.476465702 -0.423216164 15.6366997 -2.98140001 5.153699870 -0.899413109 -1.3294512 14.2659998-2.6868 5.611800190 -0.414955378 -2.2042660714.2886 -1.38800001 6.305600170 0.584885299 -2.22212076 13.6998997 -0.318899989 5.399099830 1.06923878 -3.1028688 12.7238998 -0.669399977 4.472400190 2.07434249 -3.11191988 12.18990040.3134 3.645800110 2.58986211 -2.2489790912.62571.63 3.744600060 2.10027766 -1.37698722 13.6028004 1.97140002 4.674399850 1.10040498 -1.35917985 14.1429996 0.995599985 5.505400180 -1.89203596 -1.20709312 13.8992996 -3.7966001 6.492099760 -2.08242774 -0.225308776 15.1184998 -4.69029999 6.58629990 12.5355997 -0.448500007 11.57880020 11.2811003 0.379000008 10.93999960 11.0656004 -1.15120006 11.46809960 11.2309999 -1.12300003 9.092800140  13.2677002 -0.439900011 8.065299990! 12.6092997 0.808000028 8.887399670"13.8638 -0.0195000004 9.526300430# 14.4947996 -1.83889997 8.879400250$ 12.1260996 -5.48120022 10.89500050% -7.1746006 3.1347847 10.0031996 -3.83049989 10.44769950& -2.9107697 2.87181044 14.2189999 -6.72529984 10.88150020' 18.0100994 -5.27220011 7.461200240( 17.9766998 -3.71939993 6.956999780) 17.8822994 -4.68050003 4.915500160* 17.2061996 -6.04899979 5.495800020+ 15.3711996 -4.97720003 4.527999880, 16.3017006 -2.50469995 5.728499890- 15.7511997 -2.69379997 4.20279980. 15.2322998 -1.14849997 6.534200190/ 13.7475996 -1.44869995 7.144400120012.4101 -1.61619997 4.4012999501 11.4877005 0.0715999976 2.9760999702 12.2370005 2.331500053.147303 13.9167004 2.91820002 4.7451000204 14.8452997 1.23730004 6.1749000505 13.1281996 -4.3032999 6.106599810613.6524 -3.45219994 7.397900107 14.8274002 -5.64379978 6.6644001059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jg `OSA$209fdf07-c748-4460-8580-f5ab8db5226456 -7.4050746 0.437915176 11.7054005 -0.522400022 11.02620030 -7.083776 1.3848934212.0611 -1.04910004 9.645400050 -7.74323463 2.13663459 13.0335999 -0.0934000015 8.973600390 -6.10302019 1.58012986 12.7062998 -2.41939998 9.776499750 -5.44245148 0.829322517 14.0008001 -2.59990001 9.299900050 -4.46082401 1.02029335 14.6012001 -3.84949994 9.414099690 -4.13647366 1.97172666 13.9139004 -4.90810013 9.999400140 -4.79375124 2.73218822 12.6197004 -4.7202000610.4740 -5.77866983 2.53156257 12.0120001 -3.47300005 10.36289980 -6.43925381 3.28231478 10.7566996 -3.29080009 10.82320020 -3.15486717 2.16264462 14.4765997 -6.12949991 10.12090020 -3.80355048 0.266641051 15.9511003 -4.01919985 8.911700250 -4.12759542 -0.679400504 16.9134007 -3.81690001 9.652199750 -2.82223177 0.4590303 16.1595993 -4.4131999 7.585100170 -2.39655018 1.37000418 17.4782009 -4.5862999 6.964700220 -1.398368 1.24651742 17.2061996 -5.05060005 5.552599910 -1.20754194 0.259246707 15.8259001 -4.48769999 5.272099970 -0.476465702 -0.423216164 15.6366997 -2.98140001 5.153699870 -0.899413109 -1.3294512 14.2659998-2.6868 5.611800190 -0.414955378 -2.2042660714.2886 -1.38800001 6.305600170 0.584885299 -2.22212076 13.6998997 -0.318899989 5.399099830 1.06923878 -3.1028688 12.7238998 -0.669399977 4.472400190 2.07434249 -3.11191988 12.18990040.3134 3.645800110 2.58986211 -2.2489790912.62571.63 3.744600060 2.10027766 -1.37698722 13.6028004 1.97140002 4.674399850 1.10040498 -1.35917985 14.1429996 0.995599985 5.505400180 -1.89203596 -1.20709312 13.8992996 -3.7966001 6.492099760 -2.08242774 -0.225308776 15.1184998 -4.69029999 6.58629990 12.5355997 -0.448500007 11.57880020 11.2811003 0.379000008 10.93999960 11.0656004 -1.15120006 11.46809960 11.2309999 -1.12300003 9.092800140  13.2677002 -0.439900011 8.065299990! 12.6092997 0.808000028 8.887399670"13.8638 -0.0195000004 9.526300430# 14.4947996 -1.83889997 8.879400250$ 12.1260996 -5.48120022 10.89500050% -7.1746006 3.1347847 10.0031996 -3.83049989 10.44769950& -2.9107697 2.87181044 14.2189999 -6.72529984 10.88150020' 18.0100994 -5.27220011 7.461200240( 17.9766998 -3.71939993 6.956999780) 17.8822994 -4.68050003 4.915500160* 17.2061996 -6.04899979 5.495800020+ 15.3711996 -4.97720003 4.527999880, 16.3017006 -2.50469995 5.728499890- 15.7511997 -2.69379997 4.20279980. 15.2322998 -1.14849997 6.534200190/ 13.7475996 -1.44869995 7.144400120012.4101 -1.61619997 4.4012999501 11.4877005 0.0715999976 2.9760999702 12.2370005 2.331500053.147303 13.9167004 2.91820002 4.7451000204 14.8452997 1.23730004 6.1749000505 13.1281996 -4.3032999 6.106599810613.6524 -3.45219994 7.397900107 14.8274002 -5.64379978 6.6644001059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jgixc```d`0``` & `v"ed1YI@9RidT I LN+}*of@@; Ey.2 @2Hf5232c49-82ca-48fd-ba76-3247d2e2d2b7 nOSA$4be41029-7a10-4a0a-8889-9816cc57108f56 -7.4050746 0.437915176 11.6644001 -0.440100014 11.22949980 -7.083776 1.38489342 11.9664001 -0.938499987 9.825599670 -7.74323463 2.13663459 12.9184999 0.0272000004 9.138999940 -6.10302019 1.58012986 12.6089001 -2.31410003 9.903599740 -5.44245148 0.829322517 13.8842001 -2.48990011 9.37600040 -4.46082401 1.02029335 14.4820004 -3.74419999 9.441300390 -4.13647366 1.97172666 13.8112001 -4.81230021 10.02890010 -4.79375124 2.73218822 12.5362997 -4.62900019 10.55469990 -5.77866983 2.53156257 11.9313002 -3.37700009 10.49260040 -6.43925381 3.28231478 10.6947002 -3.19930005 11.00259970 -3.15486717 2.16264462 14.3717003 -6.03840017 10.10350040 -3.80355048 0.266641051 15.8115997 -3.90899992 8.886099820 -4.12759542 -0.679400504 16.8015003 -3.726799969.59480 -2.82223177 0.4590303 15.9693003 -4.27530003 7.544600010 -2.39655018 1.37000418 17.2632999 -4.44070005 6.872499940 -1.398368 1.24651742 16.9372997 -4.87349987 5.461900230 -1.20754194 0.259246707 15.5504999 -4.29869986 5.244400020 -0.476465702 -0.423216164 15.3647003 -2.7894001 5.165200230 -0.899413109 -1.3294512 14.0132999 -2.4986999 5.679599760 -0.414955378 -2.20426607 14.0679998 -1.21519995 6.399600030 0.584885299 -2.22212076 14.1788998 -0.076700002 5.398200040 1.06923878 -3.1028688 14.2123003 -0.363200009 4.037700180 2.07434249 -3.11191988 14.3143997 0.682900012 3.126899960 2.58986211 -2.24897909 14.3818998 1.99890006 3.570600030 2.10027766 -1.37698722 14.3481998 2.27600002 4.933599950 1.10040498 -1.35917985 14.2462997 1.23660004 5.852200030 -1.89203596 -1.20709312 13.6735001 -3.6256001 6.548999790 -2.08242774 -0.225308776 14.8908005 -4.52640009 6.579199790 12.5145998 -0.381700009 11.75259970 11.24180030.4648 11.17819980 11.0380001 -1.0753999911.68120 11.1162004 -0.996900022 9.302499770  13.1171999 -0.300700009 8.215399740! 12.4959002 0.931999981 9.087699890" 13.7686996 0.0856000036 9.662199970# 14.3662996 -1.72220004 8.953900340$ 12.0545998 -5.39669991 10.97729970% -7.1746006 3.1347847 9.92520046 -3.7276001 10.64369960& -2.9107697 2.87181044 14.1392002 -6.6493001 10.86030010' 17.8094997 -5.13950014 7.334400180( 17.7656002 -3.57610011 6.864900110) 17.5912991 -4.49259996 4.808300020* 16.9300003 -5.87039995 5.383800030+ 15.0662003 -4.77010012 4.50729990, 16.0529003 -2.32800007 5.725200180- 15.4456997 -2.48189998 4.217100140. 14.8643999 -1.20599997 7.004399780/ 13.2358999 -1.10179996 6.942399980014.1636-1.30963.718401 14.3393002 0.487399995 2.1466000102 14.4547005 2.74609995 2.9100000903 14.3971996 3.22239995 5.2527999904 14.2215996 1.43200004 6.832600120512.8862 -4.12060022 6.1813998206 13.4617996 -3.29970002 7.4703998607 14.5978003 -5.48010015 6.64760017059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jglxc```d`0`̐̐``ƐȐƠ 32Y&@cK +(f@T`Ė`hd09YX`.+]f@2H3cdb06af-c754-4a39-a766-6fba8a9992a0 ROSA$f457e6cc-5812-4a71-b3d5-37e0042b0ce956 -7.4050746 0.437915176 11.2145996 -1.02400005 11.30720040 -7.083776 1.38489342 11.5511999 -1.50440001 9.904999730 -7.74323463 2.13663459 12.3929005 -0.454600006 9.198100090 -6.10302019 1.58012986 12.3311005 -2.80669999 9.989100460 -5.44245148 0.829322517 13.6120005 -2.85780001 9.448599820 -4.46082401 1.02029335 14.3348999 -4.04409981 9.519300460 -4.13647366 1.97172666 13.7824001 -5.1683001510.1250 -4.79375124 2.73218822 12.5010004 -5.109700210.66360 -5.77866983 2.53156257 11.7712002 -3.9265000810.59620 -6.43925381 3.28231478 10.5283003 -3.86980009 11.11849980 -3.15486717 2.16264462 14.4654999 -6.3302002 10.20520020 -3.80355048 0.266641051 15.6686001-4.079 8.950599670 -4.12759542 -0.679400504 16.6420994 -3.7894001 9.646100040 -2.82223177 0.4590303 15.8486996 -4.44189978 7.611000060 -2.39655018 1.37000418 17.0559006 -5.08260012 7.076300140 -1.398368 1.24651742 16.7777004 -5.31559992 5.60939980 -1.20754194 0.259246707 15.7607002 -4.23850012 5.283400060 -0.476465702 -0.423216164 16.1821003 -2.77530003 5.298799990 -0.899413109 -1.329451214.9916-1.9928 5.680399890 -0.414955378 -2.2042660715.4403 -0.852699995 6.497399810 0.584885299 -2.2221207614.4403 0.28549999 6.371900080 1.06923878 -3.1028688 13.3748999 0.361200005 7.262499810 2.07434249 -3.11191988 12.4632998 1.40470004 7.141799930 2.58986211 -2.24897909 12.6150999 2.3605001 6.143599990 2.10027766 -1.37698722 13.6838999 2.27659988 5.256899830 1.10040498 -1.35917985 14.6007004 1.23670006 5.369500160 -1.89203596 -1.20709312 14.1328001 -2.91960001 6.418600080 -2.08242774 -0.225308776 14.8943005 -4.22529984 6.515399930 12.0599003 -0.87379998 11.81999970 10.7017002 -0.167400002 11.25189970 10.6609001 -1.71469998 11.77229980 10.7059002 -1.65460002 9.392200470  12.6142998 -0.770699978 8.27550030!11.8799 0.402099997 9.142800330" 13.2382002 -0.304399997 9.710800170#14.0091 -2.04970002 9.013500210$ 12.1042995 -5.91779995 11.09910010% -7.1746006 3.1347847 9.73659992 -4.09579992 10.55099960& -2.9107697 2.87181044 14.3042002-6.953310.97050' 17.2250996 -5.9513998 7.541699890( 17.8484001-4.4835 7.190299990) 17.6079998 -5.2038002 5.063399790* 16.3978996 -6.22779989 5.455599780+ 15.2341003 -4.46299982 4.463500020, 16.9144001 -2.63499999 5.965300080- 16.4995003 -2.49889994 4.391699790. 16.3367004 -0.545700014 6.177499770/ 15.5066004 -1.13419998 7.4546999900 13.2655001 -0.326000005 7.9805998801 11.6936998 1.46790004 7.7772002202 11.9561005 3.10829997 6.0630998603 13.7929001 2.96379995 4.5385999704 15.3702002 1.17320001 4.7340002105 13.2716999 -3.05710006 5.9292001706 13.9432001 -2.56139994 7.332799910714.2507 -4.98979998 6.47830009059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jglxc```d`0Đ`ɐ`` d%12 F@ C X,HZetꌁ)@ZYF@1&[ H1  Н\_rsŢKx-@2Hbe9c75eb-f902-4d6b-ab9f-730df228d272 tOSA$d968a3c5-5bc5-4294-904d-b8cc41f17b4756 -7.4050746 0.437915176 11.8641005 -0.416000009 11.06569960 -7.083776 1.38489342 12.1006002 -0.961499989 9.666799550 -7.74323463 2.1366345913.0639 -0.0502999984 8.923800470 -6.10302019 1.5801298612.6945 -2.35780001 9.760999680 -5.44245148 0.829322517 13.9441004 -2.59489989 9.197199820 -4.46082401 1.02029335 14.4973001 -3.86870003 9.277000430 -4.13647366 1.97172666 13.8079004 -4.89519978 9.914699550 -4.79375124 2.73218822 12.5587997 -4.65070009 10.47649960 -5.77866983 2.53156257 11.9983997 -3.3789999510.40030 -6.43925381 3.28231478 10.7868996 -3.14190006 10.94509980 -3.15486717 2.16264462 14.3253002 -6.1392002110.00420 -3.80355048 0.266641051 15.8007002 -4.09749985 8.683500290 -4.12759542 -0.679400504 16.8197002 -3.93429995 9.354499820 -2.82223177 0.4590303 15.8999004 -4.50390005 7.348000050 -2.39655018 1.37000418 17.0433006 -4.20489979 6.487899780 -1.398368 1.24651742 17.0650005 -5.38399982 5.541299820 -1.20754194 0.259246707 15.6021996 -5.75880003 5.372300150 -0.476465702 -0.423216164 14.9947004 -4.81269979 4.364699840 -0.899413109 -1.3294512 13.5895004 -4.93470001 4.731200220 -0.414955378 -2.20426607 12.7671003 -4.0170002 3.929100040 0.584885299 -2.22212076 13.2671003 -2.5934999 4.116000180 1.06923878 -3.1028688 14.2466002 -2.09520006 3.263900040 2.07434249 -3.11191988 14.6999998 -0.792200029 3.440700050 2.58986211 -2.2489790914.1805 0.00249999994 4.456399920 2.10027766 -1.37698722 13.2010002 -0.504599988 5.304399970 1.10040498 -1.35917985 12.7412004 -1.80639994 5.135499950 -1.89203596 -1.20709312 13.7326002 -4.4934001 6.115399840 -2.08242774 -0.225308776 14.8963003 -5.30980015 6.637599950 12.7329998 -0.376100004 11.55920030 11.4735003 0.502399981 11.00370030 11.2304001 -1.01549995 11.55449960 11.2318001 -1.00139999 9.173299790  13.2194996 -0.409200013 8.003499980! 12.6732998 0.868200004 8.861800190" 13.9327002-0.0104 9.417300220#14.4396 -1.85689998 8.739100460$ 12.0636997 -5.38870001 10.93509960% -7.1746006 3.1347847 9.98700047 -3.6500001 10.62590030& -2.9107697 2.87181044 14.0959997 -6.72119999 10.78429990' 17.8894997 -4.15259981 7.018199920( 16.9069996 -3.34710002 5.99219990) 17.4680004-5.1257 4.663300040* 17.5820999 -6.14419985 5.934700010+ 15.4582005 -6.72389984 5.153699870, 15.3304005 -3.87809992 4.481800080- 15.1618996 -5.11170006 3.425199990. 11.8141003 -4.07730007 4.22620010/ 12.8318005 -4.26889992 2.9635000200 14.6203003 -2.66650009 2.5332000301 15.4041996 -0.424600005 2.8333001102 14.5108995 0.938600004 4.5774002103 12.8275995 0.0667999983 6.035200120412.0372 -2.17420006 5.7430000305 12.9013004 -4.68380022 6.6374998106 13.9363003 -3.51530004 6.1579999907 14.5880003 -6.0868001 7.18639994059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jgkxc```d`0` f ) i@.! dPT!!,T dY&@4 ϔ耉qˌ)?N/rbQޥ_B@2H336daef6-14ee-448f-bc26-a3c6ea4ffc52 oOSA$3988bc8b-f057-43f7-9fb2-4bd0586cbaed56 -7.4050746 0.437915176 11.3874998 -0.75029999 11.21059990 -7.083776 1.3848934211.6587 -1.28659999 9.814399720 -7.74323463 2.13663459 12.5340996 -0.303000003 9.055100440 -6.10302019 1.58012986 12.3711004 -2.62579989 9.915399550 -5.44245148 0.829322517 13.6318998 -2.759900099.34270 -4.46082401 1.02029335 14.2931995 -3.98070002 9.428500180 -4.13647366 1.97172666 13.6997004 -5.05660009 10.08110050 -4.79375124 2.73218822 12.4387999 -4.9151001 10.65180020 -5.77866983 2.53156257 11.7705002 -3.69689989 10.56960010 -6.43925381 3.28231478 10.5475998 -3.55960011 11.12300010 -3.15486717 2.16264462 14.3227997-6.2507 10.17669960 -3.80355048 0.266641051 15.6065998 -4.10230017 8.825599670 -4.12759542 -0.679400504 16.6131992 -3.84590006 9.48610020 -2.82223177 0.4590303 15.7294998 -4.51109982 7.492800240 -2.39655018 1.37000418 17.0095997 -4.6230998 6.777599810 -1.398368 1.24651742 16.6809006 -4.54930019 5.300499920 -1.20754194 0.259246707 15.1929998 -4.84730005 5.193200110 -0.476465702 -0.423216164 14.5454998 -3.63129997 4.569300170 -0.899413109 -1.3294512 13.2463999 -3.57279992 5.242400170 -0.414955378 -2.20426607 12.5381002 -2.31990004 4.933199880 0.584885299 -2.22212076 13.3957005 -1.13639998 5.351500030 1.06923878 -3.1028688 14.2922001 -0.586000025 4.441899780 2.07434249 -3.11191988 15.0741997 0.496399999 4.831200120 2.58986211 -2.24897909 14.9610996 1.02199996 6.113299850 2.10027766 -1.37698722 14.0616999 0.464599997 7.016799930 1.10040498 -1.35917985 13.2754002 -0.617900014 6.636799810 -1.89203596 -1.20709312 13.7501001 -3.61630011 6.615600110 -2.08242774 -0.225308776 14.6192999 -4.84800005 6.590700150 12.2536001 -0.631299973 11.69600010 10.9188004 0.130600005 11.14410020 10.8114996 -1.39740002 11.71020030 10.7924995 -1.40559995 9.329000470  12.7124996 -0.655700028 8.136500360! 12.0654001 0.577899992 8.988599780" 13.4001999-0.184 9.540499690# 14.0584002 -1.98640001 8.873900410$ 12.0127001 -5.68849993 11.12110040% -7.1746006 3.1347847 9.79170036 -4.13749981 10.81519990& -2.9107697 2.87181044 14.1506004 -6.8428998 10.96389960' 17.4500008 -5.49520016 6.990900040( 17.6166992 -3.87129998 7.034999850) 16.8799992 -3.63630009 4.944399830* 17.2098999 -5.22830009 4.791399960+15 -5.69119978 4.692599770, 15.0812998 -2.80620003 4.748700140-14.4347 -3.74889994 3.582499980. 11.6709995 -2.29570007 5.43090010/ 12.3598003 -2.27160001 3.9504001100 14.3737001 -0.963699996 3.5195999101 15.7220001 0.899200022 4.1845998802 15.5262003 1.80050004 6.3861999503 13.9806004 0.842299998 7.9390997904 12.6276999 -1.02100003 7.2835001905 13.0032997 -3.71160007 7.273799906 14.2838001 -2.79909992 6.8330001807 14.1386003 -5.69059992 6.83330011059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jggxc```d`0```d%122XY`H(ː``6Z%Pg*Cq'xJ?N/rbQޥ_@2Hc248fcb5-9cc5-485b-a67c-2465b9b99fef lOSA$09db070e-511d-4e36-bd69-d1b0de344d2156 -7.4050746 0.437915176 11.5860004 -0.526300013 11.13819980 -7.083776 1.38489342 11.9033003 -1.02590001 9.738200190 -7.74323463 2.13663459 12.8339996 -0.0421999991 9.048000340 -6.10302019 1.58012986 12.5777998 -2.38549995 9.826000210 -5.44245148 0.829322517 13.8580999 -2.53439999 9.302499770 -4.46082401 1.02029335 14.4851999 -3.7737999 9.376799580 -4.13647366 1.97172666 13.8381996 -4.85379982 9.969200130 -4.79375124 2.73218822 12.5579996 -4.6975002310.49090 -5.77866983 2.53156257 11.9238005-3.4605 10.41979980 -6.43925381 3.28231478 10.6821003 -3.30900002 10.92570020 -3.15486717 2.16264462 14.4273005 -6.06589985 10.05259990 -3.80355048 0.266641051 15.8197002 -3.91050005 8.825799940 -4.12759542 -0.679400504 16.8031998 -3.70079994 9.535699840 -2.82223177 0.4590303 15.9892998 -4.28100014 7.486899850 -2.39655018 1.37000418 17.2849998 -4.47259998 6.834099770 -1.398368 1.24651742 16.9892998 -5.43580008 5.704999920 -1.20754194 0.259246707 15.6511002 -4.90500021 5.249800210 -0.476465702 -0.423216164 15.7896004-3.5848 4.51459980 -0.899413109 -1.3294512 14.5783997 -2.82179999 4.839600090 -0.414955378 -2.20426607 14.9228001 -1.42289996 5.119699950 0.584885299 -2.2221207614.6011 -0.568599999 3.904000040 1.10040498 -1.35917985 13.6852999 0.471300006 4.021699910 2.10027766 -1.37698722 13.3950996 1.24870002 2.905499940 2.58986211 -2.24897909 14.0128002 0.989899993 1.687100050 2.07434249 -3.11191988 14.9273996 -0.0529000014 1.578600050 1.06923878 -3.1028688 15.2242002 -0.835900009 2.689199920 -1.89203596 -1.2070931213.9614 -3.48909998 5.994800090 -2.08242774 -0.225308776 14.9111004 -4.56290007 6.52180004012.4333 -0.444799989 11.66300010 11.1422997 0.368000001 11.08049960 10.9736004 -1.17349994 11.59230040 11.0559998 -1.10739994 9.213399890  13.0427999 -0.370799989 8.126899720! 12.3903999 0.852199972 8.990200040" 13.6814003 0.0394000001 9.572799680# 14.3231001 -1.75800002 8.876899720$12.0934 -5.47380018 10.91689970% -7.1746006 3.1347847 9.92619991 -3.85730004 10.56820010& -2.9107697 2.87181044 14.2073002 -6.6775999110.81250' 17.9489002 -4.86490011 7.470799920(17.6355 -3.60590005 6.479100230)17.6763 -5.38009977 4.980500220* 16.9232006 -6.37919998 6.029900070+ 15.1535997 -5.57959986 4.70450020, 16.6042004 -3.09559989 4.826300140- 15.8505001 -3.73930001 3.528500080.15.8989 -1.35479999 5.326099870/ 14.3929005 -1.09969997 5.9038000100 13.2410002 0.657800019 4.8979997601 12.7377996 1.99870002 2.9797999902 13.7995996 1.55320001 0.8888999820315.3715 -0.239399999 0.70219999604 15.8811998 -1.58609998 2.6150000105 13.0998001 -3.91269994 5.7151999506 13.7846003 -2.81699991 6.7139000907 14.3846998 -5.35610008 6.8281002059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jgmxc```d`0``Đ- tLT ˄A, )$  ꍀtPބ! = t's\(/^P"@2Ha82fa91b-65fe-474e-8df5-d5103920be4d aOSA$7f33c1f6-34a2-4efb-be3e-099f2423c64056 -7.4050746 0.437915176 11.6645002 -0.439999998 11.22910020 -7.083776 1.38489342 11.9666004 -0.938600004 9.825300220 -7.74323463 2.13663459 12.9187002 0.0271000005 9.138699530 -6.10302019 1.58012986 12.6091003 -2.31419992 9.903400420 -5.44245148 0.829322517 13.8843002 -2.49000001 9.375800130 -4.46082401 1.02029335 14.4820995 -3.74440002 9.441200260 -4.13647366 1.97172666 13.8112001 -4.8123002110.02880 -4.79375124 2.73218822 12.5362997 -4.62900019 10.55459980 -5.77866983 2.53156257 11.9313002 -3.37700009 10.49250030 -6.43925381 3.28231478 10.6948004 -3.19930005 11.00240040 -3.15486717 2.16264462 14.3718004 -6.03849983 10.10350040 -3.80355048 0.266641051 15.8116999 -3.90919995 8.885999680 -4.12759542 -0.679400504 16.8015995 -3.72690019.59480 -2.82223177 0.4590303 15.9694004 -4.27549982 7.544600010 -2.39655018 1.37000418 17.2633991 -4.44099998 6.872499940 -1.398368 1.24651742 16.9374008 -4.8737998 5.461900230 -1.20754194 0.259246707 15.5507002 -4.29909992 5.244400020 -0.476465702 -0.423216164 15.3648996 -2.78979993 5.16510010 -0.899413109 -1.3294512 14.0135002 -2.49900007 5.679399970 -0.414955378 -2.20426607 14.0683002-1.2155 6.399400230 0.584885299 -2.22212076 14.1792002 -0.0769999996 5.39790010 1.06923878 -3.1028688 13.6395998 1.16550004 5.712399960 2.07434249 -3.11191988 13.74409962.2026 4.791500090 2.58986211 -2.24897909 14.3802004 2.0000999 3.571899890 2.10027766 -1.37698722 14.9167004 0.7534999853.26580 1.10040498 -1.35917985 14.8171997 -0.289900005 4.180099960 -1.89203596 -1.20709312 13.6737003 -3.62579989 6.548900130 -2.08242774 -0.225308776 14.8908997 -4.52670002 6.579199790 12.5146999 -0.381599993 11.75230030 11.24190040.4648 11.17780020 11.0381002 -1.07529998 11.68089960 11.1163998 -0.996999979 9.302200320  13.1174002 -0.300900012 8.215200420! 12.4961004 0.931900024 9.08730030" 13.7688999 0.0855000019 9.661899570# 14.3663998 -1.72230005 8.953700070$ 12.0545998 -5.39669991 10.97719960% -7.1746006 3.1347847 9.92520046 -3.72749996 10.64360050& -2.9107697 2.87181044 14.1392002 -6.6493001 10.86030010' 17.8096008 -5.13980007 7.334499840( 17.7656994 -3.57640004 6.864900110) 17.5914993 -4.49310017 4.808300020* 16.9302006 -5.87080002 5.383900170+ 15.0663996 -4.77050018 4.50729990, 16.0531006 -2.3283999 5.72499990-15.4459 -2.48230004 4.216899870. 14.8646002-1.2062 7.004199980/ 13.2361002-1.102 6.9422001800 13.1822004 1.31149995 6.5896000901 13.3591995 3.09980011 5.0081000302 14.4519997 2.75049996 2.9147999303 15.3739004 0.607599974 2.3884000804 15.2018003 -1.18719995 3.9635999205 12.8864002 -4.12090015 6.1813001606 13.4618998 -3.29990005 7.470300207 14.5979004 -5.48029995 6.64760017059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jgnxc```d`0``````̠ː``@$ +@U@$ PP |?N/rbQޥ_؇@2Hd651084c-f270-4e5b-a635-31c1bb642855 tOSA$9918ad39-1e24-4297-93a6-d0d95365822156 -7.4050746 0.437915176 11.8641005 -0.416000009 11.06569960 -7.083776 1.38489342 12.1006002 -0.961499989 9.666799550 -7.74323463 2.1366345913.0639 -0.0502999984 8.923800470 -6.10302019 1.5801298612.6945 -2.35780001 9.760999680 -5.44245148 0.829322517 13.9441004 -2.59489989 9.197199820 -4.46082401 1.02029335 14.4973001 -3.86870003 9.277000430 -4.13647366 1.97172666 13.8079004 -4.89519978 9.914699550 -4.79375124 2.73218822 12.5587997 -4.65070009 10.47649960 -5.77866983 2.53156257 11.9983997 -3.3789999510.40030 -6.43925381 3.28231478 10.7868996 -3.14190006 10.94509980 -3.15486717 2.16264462 14.3253002 -6.1392002110.00420 -3.80355048 0.266641051 15.8007002 -4.09749985 8.683500290 -4.12759542 -0.679400504 16.8197002 -3.93429995 9.354499820 -2.82223177 0.4590303 15.8999004 -4.50390005 7.348000050 -2.39655018 1.37000418 17.1478996 -4.72840023 6.615200040 -1.398368 1.24651742 16.7686996 -4.40140009 5.181399820 -1.20754194 0.259246707 15.3900995 -5.00209999 5.049499990 -0.476465702 -0.423216164 14.6803999 -4.12639999 4.032899860 -0.899413109 -1.3294512 13.6940002 -3.29500008 4.733099940 -0.414955378 -2.2042660712.3785 -3.51379991 4.103700160 0.584885299 -2.22212076 12.0209999 -2.31100011 3.245399950 1.10040498 -1.35917985 11.2257004 -2.48720002 2.118200060 2.10027766 -1.37698722 10.9027996 -1.38269997 1.337000010 2.58986211 -2.2489790911.3687 -0.118100002 1.678599950 2.07434249 -3.11191988 12.1639996 0.0485999994 2.807899950 1.06923878 -3.1028688 12.4924002 -1.04980004 3.595400090 -1.89203596 -1.20709312 13.6316004 -3.79690003 6.113900180 -2.08242774 -0.225308776 14.7881002 -4.74179983 6.417699810 12.7329998 -0.376100004 11.55920030 11.4735003 0.502399981 11.00370030 11.2304001 -1.01549995 11.55449960 11.2318001 -1.00139999 9.173299790  13.2194996 -0.409200013 8.003499980! 12.6732998 0.868200004 8.861800190" 13.9327002-0.0104 9.417300220#14.4396 -1.85689998 8.739100460$ 12.0636997 -5.38870001 10.93509960% -7.1746006 3.1347847 9.98700047 -3.6500001 10.62590030& -2.9107697 2.87181044 14.0959997 -6.72119999 10.78429990' 17.4477997 -5.67869997 6.699500080( 17.8710003 -4.12039995 6.942900180) 16.7458992 -3.41289997 5.03210020* 17.4069996 -4.82130003 4.536099910+ 15.4018002 -5.9703002 4.799300190, 15.3460999 -3.54080009 3.57049990- 14.2173004 -4.70160007 3.35859990. 11.6850004 -3.63439989 4.814099790/12.415 -4.33290005 3.5311999300 10.8902998 -3.39669991 1.8724000501 10.3317003 -1.49899995 0.52439999602 11.1322002 0.671599984 1.1124999503 12.4995003 0.958100021 3.0534000404 13.0636997 -0.933799982 4.4078998605 12.7693996 -4.28679991 6.2428998906 13.6716995 -3.02119994 6.7437000307 14.3705997 -5.60449982 6.70300007059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jglxc```d`0`ʐȐ$tDC _, dYe f )@h3$-2+61  Н\_rsŢKx$@2He5af5b23-aa15-4afc-8b01-6dd842ccf907 yOSA$888d3285-60eb-4d24-9df9-a963acca0caa56 -7.4050746 0.43791517611.8834 -0.462700009 11.11839960 -7.083776 1.38489342 12.1026001 -0.974900007 9.704099660 -7.74323463 2.13663459 13.0711002 -0.0562999994 8.977100370 -6.10302019 1.58012986 12.6803999 -2.38010001 9.757900240 -5.44245148 0.829322517 13.9226999 -2.61739993 9.17829990 -4.46082401 1.02029335 14.4611998 -3.89919996 9.221099850 -4.13647366 1.97172666 13.7643003 -4.93359995 9.837699890 -4.79375124 2.73218822 12.5226002 -4.68879986 10.41549970 -5.77866983 2.53156257 11.9769001 -3.40899992 10.37629990 -6.43925381 3.28231478 10.7726002-3.1717 10.93669990 -3.15486717 2.16264462 14.2673998 -6.18540001 9.89130020 -3.80355048 0.266641051 15.7571001 -4.12809992 8.611700060 -4.12759542 -0.679400504 16.7831001 -3.99419999 9.27849960 -2.82223177 0.4590303 15.8411999 -4.5012002 7.265399930 -2.39655018 1.37000418 14.8886995 -4.13530016 6.214099880 -1.398368 1.24651742 14.8662004 -5.41879988 5.403600220 -1.20754194 0.259246707 16.2950001 -5.93330002 5.406000140 -0.476465702 -0.42321616417.1924 -5.48699999 4.262800220 -0.899413109 -1.3294512 18.2290993 -4.59929991 4.811100010 -0.414955378 -2.20426607 18.2262993 -3.28670001 4.145299910 0.584885299 -2.22212076 19.2893009 -3.26749992 3.058500050 1.06923878 -3.1028688 20.0692997 -4.3987999 2.844599960 2.07434249 -3.11191988 21.0403004 -4.37440014 1.849099990 2.58986211 -2.24897909 21.2290001 -3.2335999 1.077200060 2.10027766 -1.37698722 20.4442005 -2.10630012 1.298499940 1.10040498 -1.35917985 19.4706001 -2.12100005 2.291699890 -1.89203596 -1.20709312 18.0401993 -4.43050003 6.254300120 -2.08242774 -0.225308776 16.8868008 -5.33010006 6.661900040 12.7564001 -0.445800006 11.60579970 11.5032997 0.461499989 11.08300020 11.2461996 -1.06710005 11.5966997011.2296 -0.991900027 9.21669960  13.2152996 -0.393299997 8.046699520!12.691 0.867999971 8.941699980" 13.9441004 -0.0394000001 9.464500430# 14.4235001 -1.87380004 8.735300060$ 12.0221996 -5.43240023 10.85900020% -7.1746006 3.1347847 9.96420002 -3.66190004 10.61079980& -2.9107697 2.87181044 14.0370998 -6.78450012 10.65810010' 15.2164001 -3.36170006 5.671800140( 13.9876003 -3.92050004 6.590700150) 14.2545004 -6.08729982 5.826499940* 14.5636997 -5.23500013 4.468299870+ 16.2982006 -6.93100023 5.472599980, 17.6201992 -6.28439999 3.837199930- 16.6518002 -4.99490023 3.580499890. 18.4228992 -2.57200003 4.816500190/ 17.3286991 -3.12210011 3.7365000200 19.9335995 -5.2196002 3.3994998901 21.6063995 -5.182799821.687502 21.9286995 -3.22340012 0.36280000203 20.5802002 -1.28550005 0.74360001104 18.9046001 -1.31260002 2.4535999305 17.8218002 -3.4770999 6.4623999606 18.8715992 -4.69619989 6.7424001707 17.1916008 -6.04220009 7.29440022059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jglxc```d`0`ʐ`Ɛ`ɐ`dER"F@ C2edY00 1# RҀD9_^d@,@wr}A0.]e8@2H5a6b9e7a-5e62-4c68-80d6-42033cedf0a9 ^OSA$00abd4d8-8912-4366-bbb7-676acc0ea04256 -7.4050746 0.437915176 11.7688999 -0.420599997 11.13770010 -7.083776 1.38489342 12.0536003 -0.934099972 9.735699650 -7.74323463 2.13663459 13.0059996 0.0181000009 9.031000140 -6.10302019 1.58012986 12.6865997 -2.3138001 9.820199970 -5.44245148 0.829322517 13.9553003 -2.50390005 9.281900410 -4.46082401 1.02029335 14.5444002 -3.76200008 9.352999690 -4.13647366 1.9717266613.8715 -4.81949997 9.956899640 -4.79375124 2.7321882212.6032 -4.62190008 10.49339960 -5.77866983 2.53156257 12.0068998 -3.36610007 10.42560010 -6.43925381 3.2823147810.7767 -3.1744999910.94590 -3.15486717 2.16264462 14.4237003 -6.04909992 10.03740020 -3.80355048 0.26664105115.8673 -3.94180012 8.786499980 -4.12759542 -0.679400504 16.7991009 -4.30800009 9.502799990 -2.82223177 0.4590303 16.0848007 -3.69880009 7.42360020 -2.39655018 1.37000418 17.0949993 -4.37239981 6.610300060 -1.398368 1.24651742 17.4122009 -3.32209992 5.565100190 -1.20754194 0.259246707 16.0587997 -2.70190001 5.28280020 -0.476465702 -0.423216164 15.1753998 -3.60710001 4.449399950 -0.899413109 -1.3294512 13.8650999 -3.09459996 4.84219980 -0.414955378 -2.20426607 12.7842999 -3.88899994 4.239099980 0.584885299 -2.22212076 13.2214003 -4.38140011 2.868700030 1.10040498 -1.35917985 13.8726997 -5.60510015 2.75729990 2.10027766 -1.37698722 14.2702999 -6.04949999 1.500800010 2.58986211 -2.24897909 14.0197001 -5.28049994 0.3700000050 2.07434249 -3.11191988 13.3676996 -4.05730009 0.4909999970 1.06923878 -3.102868812.9663 -3.60439992 1.743399980 -1.89203596 -1.20709312 14.0113001-3.3585 6.270699980 -2.08242774 -0.225308776 15.3430996 -2.72589993 6.612899780 12.6246004 -0.363700002 11.6520004011.3525 0.486900002 11.08220010 11.1422997 -1.04700005 11.60140040 11.1978998 -0.990999997 9.221400260  13.1933002 -0.319799989 8.108599660! 12.5895996 0.925499976 8.975399970" 13.8617001 0.0749000013 9.545299530#14.4389 -1.74370003 8.848099710$ 12.1199999 -5.3821001110.92770% -7.1746006 3.1347847 9.99979973 -3.70020008 10.59939960& -2.9107697 2.87181044 14.1941004 -6.65119982 10.80210020' 16.7287006 -5.20300007 6.190899850( 17.9037991 -4.6013999 7.152100090)18.052-2.6415 5.92220020* 17.7952003 -3.73939991 4.741000180+ 16.1310005 -1.77989995 4.902400020, 15.3423996 -3.49259996 3.470200060- 15.2888002 -4.56939983 4.696599960. 11.9665003 -3.32139993 4.144100190/ 12.5797997 -4.6729002 4.8253002200 14.0530005 -6.15859985 3.57049990114.7395 -6.92789984 1.4100999802 14.3079996 -5.60640001 -0.53039997803 13.1878004 -3.50390005-0.322204 12.4973001 -2.72589993 1.834200020514.0253 -4.34159994 6.4528999306 13.2699003 -2.93370008 6.7902998907 15.2616997 -1.82579994 7.04110003059          !" #!$"%#&$' %( &)'*(+),*-+.,/-0.1/2031425364758697:2080I{jgjxc```d`0`` f  @:,Tc ˒!$ Kb Cu0N{5\.7W,ʻt9 @2H57771690-6d62-4e38-9a52-c6e64a4ffe03Hf5232c49-82ca-48fd-ba76-3247d2e2d2b7Kd}M@!AJ?ԇ ?廚 ?ԇ ?yv?a1@?yv?Ҩ?a1@?Ҩ`~?<b@?6, ^?= ?ʙ?@ftt?ftt?@?yv?a1@?a1@?a1@?a1@?a1@@ [?حݠ0Cbc@.o5-BENZYL-OCTAHYDRO-PYRROLO[3,4-B]PYRROLE, 5-Benzyl-octahydro-pyrrolo[3,4-b]pyrrole, 5-Benzyloctahydropyrrolo[3,4-b]pyrrole, 5-benzyl-octahydropyrrolo[3,4-b]pyrrole, 53914, AK177239, AX8266668, B266668, ST-4752, X-2436, eetm-1800CardViewStates GG<Custom>@j@qL Page 1@i@[)Zs)MS Shell Dlg 22Structure@[)Zs)@i@[ {MS Shell Dlg 22HFlexX + Oral Non CNS Scoring Profile@kY@i@1MS Shell Dlg 226FlexX Score 2XJX XJX_A_1232@my@i@1MS Shell Dlg 22hERG pIC50@i@_MS Shell Dlg 22@_@i@_MS Shell Dlg 22R1@i@_MS Shell Dlg 22@_@i@_MS Shell Dlg 22@j@qL@h@1333333MS Shell Dlg 22n of N (--%)@1333333@h@]x8MS Shell Dlg 22@a "fr@h@]fM}.MS Shell Dlg 22HFlexX + Oral Non CNS Scoring Profile<Custom> 0AWH. #rR@.OIɡ+s@}@%bKϯ_.R@[33334 #GD܇t877Z@}@p:cfĘ@9NE?G@}Qٓ@}ŵu'R@pg8>OOFFFFFF. @ {+rxK@VQ?>>OO???@Count vs NameCalibri@(2d((((((5⋅fAyЮCFp22 serialization::archive 19 1 0 0 0 0 0 0 0 1 0 1 0 1 1Calibri@(2d((((((@$@$@$@$CQ?>>OO???@R?>>OO???@@@@2jSegoe UI@"2Count vs NameBWWW*NHyde pKi + Oral Non CNS Scoring ProfileNHyde pKi + Oral Non CNS Scoring Profile8Oral Non CNS Scoring Profile 0Hyde pKi 2XJX XJX_A_1232 DockingDataEntry._@??@???logSb__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767??????@!HIA categoryr__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a?333336!-+logPb__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb11?ٙ?ٙ@ ??@ ?ٙ?ٙ\ @hERG pIC50n__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7@??@?333333?333333@@"*2D6 affinity category__BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064?333334?333334low mediumhighvery high2C9 pKi,__BIOFOCUS__2C9_pKi_RF,@??@?ffffff?ffffff@@@4A@P-gp category8__BIOFOCUS__P$gp_category_RF?333334enoyesPPB90 categoryx__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ff?əJlowhighBBB category4__BIOFOCUS_BBB_category_RF?(\(~R-+0BBB log([brain]:[blood])2__BIOFOCUS__BBB_cont_2012???zG{?zG{33@? =??HFlexX + Oral Non CNS Scoring ProfileHFlexX + Oral Non CNS Scoring Profile8Oral Non CNS Scoring Profile 6FlexX Score 2XJX XJX_A_1232 DockingDataEntryC7??74??4???logSb__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767??????@!HIA categoryr__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a?333336!-+logPb__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb11?ٙ?ٙ@ ??@ ?ٙ?ٙ\ @ DhERG pIC50n__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7@??@?333333?333333@@"*2D6 affinity category__BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064?333334?333334low mediumhighvery high2C9 pKi,__BIOFOCUS__2C9_pKi_RF,@??@?ffffff?ffffff@@@4A@P-gp category8__BIOFOCUS__P$gp_category_RF?333334enoyesPPB90 categoryx__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ff?əJlowhighBBB category4__BIOFOCUS_BBB_category_RF?(\(~R-+0BBB log([brain]:[blood])2__BIOFOCUS__BBB_cont_2012???zG{?zG{`?=p??HFlexX + Oral Non CNS Scoring Profile8Oral Non CNS Scoring Profile 6FlexX Score 2XJX XJX_A_1232 DockingDataEntryC7??74??4???logSb__BIOFOCUS__logS_3f92bbaba650ea90765323358dc53767??????@!HIA categoryr__BIOFOCUS__HIA_category_54a507608dba628340d32f1dfa4a150a?333336!-+logPb__BIOFOCUS__logP_7f386de520a9b5ed36f3f316692b6bb11?ٙ?ٙ@ ??@ ?ٙ?ٙ\ @hERG pIC50n__BIOFOCUS__hERG_pIC50_8141cd003b19c56eae1efbf895eb98f7@??@?333333?333333@@"*2D6 affinity category__BIOFOCUS__2D6_affinity_category_3a5194f7bd1fe7cfddb3513664be5064?333334?333334low mediumhighvery high2C9 pKi,__BIOFOCUS__2C9_pKi_RF,@??@?ffffff?ffffff@@@4A@P-gp category8__BIOFOCUS__P$gp_category_RF?333334enoyesPPB90 categoryx__BIOFOCUS__PPB_90Thresh_RF_de67fc13b77ccb91aba1844be90d89ff?əJlowhighBBB category4__BIOFOCUS_BBB_category_RF?(\(~R-+0BBB log([brain]:[blood])2__BIOFOCUS__BBB_cont_2012???zG{?zG{33@? =??@j@qL Page 1@i@[)Zs)MS Shell Dlg 22Structure@[)Zs)@i@[ {MS Shell Dlg 22HFlexX + Oral Non CNS Scoring Profile@kY@i@1MS Shell Dlg 226FlexX Score 2XJX XJX_A_1232@my@i@1MS Shell Dlg 22hERG pIC50@i@_MS Shell Dlg 22@_@i@_MS Shell Dlg 22R1@i@_MS Shell Dlg 22@_@i@_MS Shell Dlg 22@j@qL@h@1333333MS Shell Dlg 22n of N (--%)@1333333@h@]x8MS Shell Dlg 22@a "fr@h@]fM}.MS Shell Dlg 22HFlexX + Oral Non CNS Scoring Profile<Custom>@g @qp Page 1@f @1333333MS Shell Dlg 22@1333333@f @^9MS Shell Dlg 22Structure@a{M1@f @T/|c@^@SMS Shell Dlg 22NHyde pKi + Oral Non CNS Scoring Profile@k33334@f @1333333MS Shell Dlg 22"Hyde pKi estimate@m@V @1333333MS Shell Dlg 22hERG pIC50@V @m@V @1333333MS Shell Dlg 22logP@f @1333333MS Shell Dlg 22@1333333@f @]:*MS Shell Dlg 22@aj܃{@f @]3*F MS Shell Dlg 22@g @qp@e @1333333MS Shell Dlg 22n of N (--%)@1333333@e @^9MS Shell Dlg 22@aC33333@e @^9MS Shell Dlg 22"Hyde pKi estimateHSP90 Score@`@f Page 1@^@1333333MS Shell Dlg 22@1333333@^@^fffffhMS Shell Dlg 22Structure@aY@^@1333333MS Shell Dlg 22"Hyde pKi estimate@^@1333333MS Shell Dlg 22@1333333@^@PoMS Shell Dlg 22@U:;@^@QMFMS Shell Dlg 22@`@f@\@1333333MS Shell Dlg 22n of N (--%)@1333333@\@Q*tQMS Shell Dlg 22@V4A@\@Q0%MS Shell Dlg 22"Hyde pKi estimateHSP90 Activity@`@f Page 1@^@LL_MS Shell Dlg 22Structure@LL_@^@P1Y|MS Shell Dlg 22HFlexX + Oral Non CNS Scoring Profile@^@^@1MS Shell Dlg 226FlexX Score 2XJX XJX_A_1232@a`@^@1MS Shell Dlg 22hERG pIC50@^@R+jտMS Shell Dlg 22@R+j@^@T4 ԕ+MS Shell Dlg 22R1@^@S$D*MS Shell Dlg 22@S$D*@^@Sۻ/VֿMS Shell Dlg 22@`@f@\@1333333MS Shell Dlg 22@1333333@\@RTɅMS Shell Dlg 22@Va!R@\@QqiCMS Shell Dlg 22HFlexX + Oral Non CNS Scoring Profile HSP90-FlexX+hERGiHEADER CHAPERONE 06-JUL-10 2XJX TITLE STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUND COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 9-236; COMPND 5 SYNONYM: HSP90, HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMA COMPND 6 ANTIGEN NY-REN-38; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) KEYWDS CHAPERONE, ATP BINDING DOMAIN, STRESS RESPONSE EXPDTA X-RAY DIFFRACTION AUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWAN, AUTHOR 2 J.E.COYLE,R.DOWNHAM,E.FIGUEROA,M.FREDERICKSON,B.GRAHAM,R.MCMENAMIN, AUTHOR 3 M.A.OBRIEN,S.PATEL,T.R.PHILLIPS,G.WILLIAMS,A.J.WOODHEAD, AUTHOR 4 A.J.A.WOOLFORD REVDAT 4 18-FEB-15 2XJX 1 AUTHOR HETNAM HETSYN FORMUL REVDAT 3 24-APR-13 2XJX 1 TITLE REMARK VERSN REVDAT 2 13-JUL-11 2XJX 1 JRNL REMARK REVDAT 1 11-AUG-10 2XJX 0 JRNL AUTH A.J.WOODHEAD,H.ANGOVE,M.G.CARR,G.CHESSARI,M.CONGREVE, JRNL AUTH 2 J.E.COYLE,J.COSME,B.GRAHAM,P.J.DAY,R.DOWNHAM,L.FAZAL, JRNL AUTH 3 R.FELTELL,E.FIGUEROA,M.FREDERICKSON,J.LEWIS,R.MCMENAMIN, JRNL AUTH 4 C.W.MURRAY,M.A.O'BRIEN,L.PARRA,S.PATEL,T.PHILLIPS,D.C.REES, JRNL AUTH 5 S.RICH,D.M.SMITH,G.TREWARTHA,M.VINKOVIC,B.WILLIAMS, JRNL AUTH 6 A.J.WOOLFORD JRNL TITL DISCOVERY OF (2,4-DIHYDROXY-5-ISOPROPYLPHENYL)-[5- JRNL TITL 2 (4-METHYLPIPERAZIN-1-YLMETHYL)-1,3-DIHYDROISOINDOL- JRNL TITL 3 2-YL]METHANONE (AT13387), A NOVEL INHIBITOR OF THE JRNL TITL 4 MOLECULAR CHAPERONE HSP90 BY FRAGMENT BASED DRUG DESIGN. JRNL REF J.MED.CHEM. V. 53 5956 2010 JRNL REFN ISSN 0022-2623 JRNL PMID 20662534 JRNL DOI 10.1021/JM100060B REMARK 2 REMARK 2 RESOLUTION. 1.66 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER-TNT 2.5.1 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK, REMARK 3 : MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.99 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.46 REMARK 3 NUMBER OF REFLECTIONS : 20155 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) : 0.1577 REMARK 3 R VALUE (WORKING SET) : 0.1550 REMARK 3 FREE R VALUE : 0.2076 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0 REMARK 3 FREE R VALUE TEST SET COUNT : 1012 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 9 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 1.76 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.46 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 3164 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.1968 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3010 REMARK 3 BIN R VALUE (WORKING SET) : 0.1948 REMARK 3 BIN FREE R VALUE : 0.2332 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.87 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 154 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1765 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 30 REMARK 3 SOLVENT ATOMS : 198 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.279 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.03 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.08742065 REMARK 3 B22 (A**2) : 0.13840185 REMARK 3 B33 (A**2) : 0.94901880 REMARK 3 B12 (A**2) : 0.00000000 REMARK 3 B13 (A**2) : -6.93572824 REMARK 3 B23 (A**2) : 0.00000000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : NULL REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : NULL 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 : NULL REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : NULL ; NULL ; NULL REMARK 3 BOND ANGLES : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS : NULL ; NULL ; NULL REMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULL REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : NULL ; NULL ; NULL 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 : NULL ; NULL ; NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.394 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULL REMARK 3 OTHER TORSION ANGLES (DEGREES) : 16.228 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2XJX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-JUL-10. REMARK 100 THE PDBE ID CODE IS EBI-44517. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID23-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD (QUANTUM 315R) REMARK 200 DETECTOR MANUFACTURER : ADSC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20868 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.66 REMARK 200 RESOLUTION RANGE LOW (A) : 43.99 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 REMARK 200 DATA REDUNDANCY : 3.3 REMARK 200 R MERGE (I) : 0.06 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NONE REMARK 200 REMARK 200 REMARK: NONE REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 22.19 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.59 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 20.52500 REMARK 290 SMTRY3 2 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: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -12 REMARK 465 GLY A -11 REMARK 465 SER A -10 REMARK 465 SER A -9 REMARK 465 HIS A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 SER A -2 REMARK 465 SER A -1 REMARK 465 GLY A 0 REMARK 465 LEU A 1 REMARK 465 VAL A 2 REMARK 465 PRO A 3 REMARK 465 ARG A 4 REMARK 465 GLY A 5 REMARK 465 SER A 6 REMARK 465 HIS A 7 REMARK 465 MET A 8 REMARK 465 ASP A 9 REMARK 465 GLN A 10 REMARK 465 ASP A 232 REMARK 465 ASP A 233 REMARK 465 GLU A 234 REMARK 465 ALA A 235 REMARK 465 GLU A 236 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 MET A 12 -95.77 62.23 REMARK 500 THR A 94 41.19 -108.29 REMARK 500 ALA A 166 -141.17 65.43 REMARK 500 GLU A 178 107.58 -48.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE XJX A1232 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2CDD RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO- REMARK 900 BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H- REMARK 900 PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 1YES RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "OPEN REMARK 900 " CONFORMATION REMARK 900 RELATED ID: 1UY9 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1BYQ RELATED DB: PDB REMARK 900 HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG REMARK 900 RELATED ID: 2BSM RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1OSF RELATED DB: PDB REMARK 900 HUMAN HSP90 IN COMPLEX WITH 17-DESMETHOXY- REMARK 900 17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN REMARK 900 RELATED ID: 2WI3 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY8 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3- REMARK 900 TRIMETHOXY-BENZYL)-9H-PURIN-6YLAMINE REMARK 900 RELATED ID: 2BUG RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE TPR DOMAIN FROM REMARK 900 PROTEIN PHOSPHATASE 5 IN COMPLEX WITH HSP90 REMARK 900 DERIVED PEPTIDE REMARK 900 RELATED ID: 2WI4 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2UWD RELATED DB: PDB REMARK 900 INHIBITION OF THE HSP90 MOLECULAR CHAPERONE REMARK 900 IN VITRO AND IN VIVO BY NOVEL, SYNTHETIC REMARK 900 , POTENT RESORCINYLIC PYRAZOLE, ISOXAZOLE AMIDE REMARK 900 ANALOGS REMARK 900 RELATED ID: 2XHX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI7 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2BT0 RELATED DB: PDB REMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OF REMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVERED REMARK 900 THROUGH STRUCTURE-BASED DESIGN REMARK 900 RELATED ID: 1YER RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, " REMARK 900 CLOSED" CONFORMATION REMARK 900 RELATED ID: 2XDU RELATED DB: PDB REMARK 900 STRUCTUE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYG RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2BZ5 RELATED DB: PDB REMARK 900 STRUCTURE-BASED DISCOVERY OF A NEW CLASS REMARK 900 OF HSP90 INHIBITORS REMARK 900 RELATED ID: 2CCU RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4- REMARK 900 METHANESULPHONYL-BENZYL)-PIERAZIN-1-YL)-1H- REMARK 900 PYRAZOL-3-YL)-BENZENE-1,3-DIOL REMARK 900 RELATED ID: 2XDS RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2XDX RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2CCS RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN- REMARK 900 1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOL REMARK 900 RELATED ID: 1UYF RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4- REMARK 900 YLNYL-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YC3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 1UYI RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY- REMARK 900 BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1UYD RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2- REMARK 900 CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN- REMARK 900 6-YLAMINE REMARK 900 RELATED ID: 2BYI RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2XDL RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 2WI2 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 1UY6 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2VCI RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 2WI1 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2VCJ RELATED DB: PDB REMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONE REMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FOR REMARK 900 THE TREATMENT OF CANCER REMARK 900 RELATED ID: 1YC4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2C2L RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE CHIP U-BOX E3 REMARK 900 UBIQUITIN LIGASE REMARK 900 RELATED ID: 2FWZ RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H71 REMARK 900 RELATED ID: 2XDK RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYH RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 2XJG RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYK RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3] REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2CCT RELATED DB: PDB REMARK 900 HUMAN HSP90 WITH 5-(5-CHLORO-2,4- REMARK 900 DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL-2H- REMARK 900 PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDE REMARK 900 RELATED ID: 2FWY RELATED DB: PDB REMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TO REMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H64 REMARK 900 RELATED ID: 1UYL RELATED DB: PDB REMARK 900 STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE- REMARK 900 BASED INHIBITOR BINDING TO HSP90 ISOFORMS REMARK 900 RELATED ID: 1UYE RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4, REMARK 900 5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 2WI6 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XAB RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH AN INHIBITOR BOUND REMARK 900 RELATED ID: 1YC1 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF HUMAN HSP90ALPHA REMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLES REMARK 900 RELATED ID: 2XHR RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UYC RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5- REMARK 900 DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 2XHT RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND REMARK 900 RELATED ID: 1UY7 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(4- REMARK 900 METHOXY-BENZYL)-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1YET RELATED DB: PDB REMARK 900 GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN- REMARK 900 BINDING DOMAIN REMARK 900 RELATED ID: 2JJC RELATED DB: PDB REMARK 900 HSP90 ALPHA ATPASE DOMAIN WITH BOUND SMALL REMARK 900 MOLECULE FRAGMENT REMARK 900 RELATED ID: 2BYH RELATED DB: PDB REMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE- REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90 REMARK 900 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 2WI5 RELATED DB: PDB REMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE REMARK 900 INHIBITORS OF THE HSP90 CHAPERONE REMARK 900 RELATED ID: 2XJJ RELATED DB: PDB REMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULE REMARK 900 INHIBITOR BOUND DBREF 2XJX A 9 236 UNP P07900 HS90A_HUMAN 9 236 SEQADV 2XJX MET A -12 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A -11 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -10 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -9 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -8 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -7 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -5 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -4 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A -3 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -2 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A -1 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 0 UNP P07900 EXPRESSION TAG SEQADV 2XJX LEU A 1 UNP P07900 EXPRESSION TAG SEQADV 2XJX VAL A 2 UNP P07900 EXPRESSION TAG SEQADV 2XJX PRO A 3 UNP P07900 EXPRESSION TAG SEQADV 2XJX ARG A 4 UNP P07900 EXPRESSION TAG SEQADV 2XJX GLY A 5 UNP P07900 EXPRESSION TAG SEQADV 2XJX SER A 6 UNP P07900 EXPRESSION TAG SEQADV 2XJX HIS A 7 UNP P07900 EXPRESSION TAG SEQADV 2XJX MET A 8 UNP P07900 EXPRESSION TAG SEQRES 1 A 249 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY SEQRES 2 A 249 LEU VAL PRO ARG GLY SER HIS MET ASP GLN PRO MET GLU SEQRES 3 A 249 GLU GLU GLU VAL GLU THR PHE ALA PHE GLN ALA GLU ILE SEQRES 4 A 249 ALA GLN LEU MET SER LEU ILE ILE ASN THR PHE TYR SER SEQRES 5 A 249 ASN LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN SER SEQRES 6 A 249 SER ASP ALA LEU ASP LYS ILE ARG TYR GLU SER LEU THR SEQRES 7 A 249 ASP PRO SER LYS LEU ASP SER GLY LYS GLU LEU HIS ILE SEQRES 8 A 249 ASN LEU ILE PRO ASN LYS GLN ASP ARG THR LEU THR ILE SEQRES 9 A 249 VAL ASP THR GLY ILE GLY MET THR LYS ALA ASP LEU ILE SEQRES 10 A 249 ASN ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA SEQRES 11 A 249 PHE MET GLU ALA LEU GLN ALA GLY ALA ASP ILE SER MET SEQRES 12 A 249 ILE GLY GLN PHE GLY VAL GLY PHE TYR SER ALA TYR LEU SEQRES 13 A 249 VAL ALA GLU LYS VAL THR VAL ILE THR LYS HIS ASN ASP SEQRES 14 A 249 ASP GLU GLN TYR ALA TRP GLU SER SER ALA GLY GLY SER SEQRES 15 A 249 PHE THR VAL ARG THR ASP THR GLY GLU PRO MET GLY ARG SEQRES 16 A 249 GLY THR LYS VAL ILE LEU HIS LEU LYS GLU ASP GLN THR SEQRES 17 A 249 GLU TYR LEU GLU GLU ARG ARG ILE LYS GLU ILE VAL LYS SEQRES 18 A 249 LYS HIS SER GLN PHE ILE GLY TYR PRO ILE THR LEU PHE SEQRES 19 A 249 VAL GLU LYS GLU ARG ASP LYS GLU VAL SER ASP ASP GLU SEQRES 20 A 249 ALA GLU HET XJX A1232 30 HETNAM XJX ONALESPIB HETSYN XJX AT13387 FORMUL 2 XJX C24 H31 N3 O3 FORMUL 3 HOH *198(H2 O) HELIX 1 1 GLN A 23 THR A 36 1 14 HELIX 2 2 GLU A 42 ASP A 66 1 25 HELIX 3 3 PRO A 67 ASP A 71 5 5 HELIX 4 4 THR A 99 LEU A 107 1 9 HELIX 5 5 GLY A 114 ALA A 124 1 11 HELIX 6 6 ASP A 127 GLN A 133 5 7 HELIX 7 7 VAL A 136 TYR A 139 5 4 HELIX 8 8 SER A 140 VAL A 144 1 5 HELIX 9 9 GLU A 192 LEU A 198 5 7 HELIX 10 10 GLU A 199 SER A 211 1 13 HELIX 11 11 ASP A 227 SER A 231 5 5 SHEET 1 AA 8 VAL A 17 ALA A 21 0 SHEET 2 AA 8 SER A 169 THR A 174 -1 O PHE A 170 N PHE A 20 SHEET 3 AA 8 TYR A 160 SER A 164 -1 O ALA A 161 N ARG A 173 SHEET 4 AA 8 ALA A 145 LYS A 153 -1 O VAL A 148 N SER A 164 SHEET 5 AA 8 GLY A 183 LEU A 190 -1 O GLY A 183 N LYS A 153 SHEET 6 AA 8 THR A 88 ASP A 93 -1 O LEU A 89 N LEU A 188 SHEET 7 AA 8 ILE A 78 ASN A 83 -1 O ASN A 79 N VAL A 92 SHEET 8 AA 8 ILE A 218 LEU A 220 1 O THR A 219 N LEU A 80 SITE 1 AC1 13 LEU A 48 ASN A 51 ASP A 54 ALA A 55 SITE 2 AC1 13 ASP A 93 GLY A 97 MET A 98 PHE A 138 SITE 3 AC1 13 THR A 184 VAL A 186 HOH A2039 HOH A2084 SITE 4 AC1 13 HOH A2198 CRYST1 44.950 41.050 49.230 90.00 101.86 90.00 P 1 21 1 2 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 0.022247 0.000000 0.004672 0.00000 SCALE2 0.000000 0.024361 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020756 0.00000 ATOM 1 N PRO A 11 34.268 9.815 30.997 1.00 53.18 N ATOM 2 CA PRO A 11 35.333 9.029 30.391 1.00 53.05 C ATOM 3 C PRO A 11 35.173 7.572 30.734 1.00 58.99 C ATOM 4 O PRO A 11 34.075 7.011 30.638 1.00 59.78 O ATOM 5 CB PRO A 11 36.579 9.592 31.063 1.00 55.02 C ATOM 6 CG PRO A 11 36.276 11.053 31.164 1.00 61.02 C ATOM 7 CD PRO A 11 34.741 11.175 31.273 1.00 56.68 C ATOM 8 N MET A 12 36.280 6.963 31.138 1.00 56.59 N ATOM 9 CA MET A 12 36.304 5.556 31.443 1.00 55.84 C ATOM 10 C MET A 12 35.958 4.777 30.172 1.00 48.95 C ATOM 11 O MET A 12 36.817 4.592 29.318 1.00 47.17 O ATOM 12 CB MET A 12 35.368 5.228 32.613 1.00 59.95 C ATOM 13 CG MET A 12 35.944 5.634 33.966 1.00 65.87 C ATOM 14 SD MET A 12 37.665 5.071 34.183 1.00 72.23 S ATOM 15 CE MET A 12 37.408 3.274 34.484 1.00 68.69 C ATOM 16 N GLU A 13 34.694 4.403 30.002 1.00 38.00 N ATOM 17 CA GLU A 13 34.286 3.653 28.814 1.00 34.37 C ATOM 18 C GLU A 13 33.942 4.572 27.644 1.00 28.12 C ATOM 19 O GLU A 13 33.490 5.688 27.832 1.00 23.66 O ATOM 20 CB GLU A 13 33.131 2.733 29.180 1.00 36.29 C ATOM 21 CG GLU A 13 33.462 1.953 30.455 1.00 55.50 C ATOM 22 CD GLU A 13 32.348 1.969 31.491 1.00 85.37 C ATOM 23 OE1 GLU A 13 31.926 3.071 31.911 1.00 81.31 O ATOM 24 OE2 GLU A 13 31.936 0.874 31.928 1.00 84.78 O ATOM 25 N GLU A 14 34.230 4.112 26.439 1.00 22.24 N ATOM 26 CA GLU A 14 34.064 4.930 25.247 1.00 23.44 C ATOM 27 C GLU A 14 33.115 4.251 24.287 1.00 25.21 C ATOM 28 O GLU A 14 33.186 3.046 24.114 1.00 28.26 O ATOM 29 CB GLU A 14 35.417 5.046 24.556 1.00 25.94 C ATOM 30 CG GLU A 14 35.572 6.258 23.720 1.00 42.59 C ATOM 31 CD GLU A 14 36.925 6.873 23.916 1.00 72.19 C ATOM 32 OE1 GLU A 14 37.909 6.304 23.400 1.00 61.56 O ATOM 33 OE2 GLU A 14 37.004 7.888 24.645 1.00 71.65 O ATOM 34 N GLU A 15 32.245 5.020 23.650 1.00 16.92 N ATOM 35 CA GLU A 15 31.290 4.441 22.689 1.00 14.84 C ATOM 36 C GLU A 15 31.198 5.379 21.495 1.00 17.66 C ATOM 37 O GLU A 15 31.109 6.585 21.685 1.00 15.13 O ATOM 38 CB GLU A 15 29.902 4.280 23.303 1.00 16.86 C ATOM 39 CG GLU A 15 28.869 3.644 22.372 1.00 30.46 C ATOM 40 CD GLU A 15 27.534 3.373 23.056 1.00 59.35 C ATOM 41 OE1 GLU A 15 26.822 2.448 22.619 1.00 59.66 O ATOM 42 OE2 GLU A 15 27.199 4.075 24.036 1.00 59.15 O ATOM 43 N GLU A 16 31.252 4.823 20.279 1.00 13.53 N ATOM 44 CA GLU A 16 31.192 5.628 19.080 1.00 13.75 C ATOM 45 C GLU A 16 29.728 6.015 18.940 1.00 17.06 C ATOM 46 O GLU A 16 28.859 5.140 18.930 1.00 15.53 O ATOM 47 CB GLU A 16 31.631 4.788 17.857 1.00 15.57 C ATOM 48 CG GLU A 16 31.384 5.471 16.515 1.00 17.11 C ATOM 49 CD GLU A 16 32.368 6.582 16.208 1.00 16.71 C ATOM 50 OE1 GLU A 16 32.198 7.244 15.131 1.00 16.75 O ATOM 51 OE2 GLU A 16 33.357 6.745 16.991 1.00 17.86 O ATOM 52 N VAL A 17 29.462 7.317 18.821 1.00 14.77 N ATOM 53 CA VAL A 17 28.091 7.816 18.653 1.00 13.55 C ATOM 54 C VAL A 17 28.174 8.956 17.654 1.00 19.92 C ATOM 55 O VAL A 17 28.894 9.919 17.880 1.00 22.07 O ATOM 56 CB VAL A 17 27.520 8.354 19.948 1.00 17.24 C ATOM 57 CG1 VAL A 17 26.086 8.886 19.677 1.00 17.41 C ATOM 58 CG2 VAL A 17 27.491 7.235 21.027 1.00 16.90 C ATOM 59 N GLU A 18 27.484 8.815 16.529 1.00 12.70 N ATOM 60 CA GLU A 18 27.531 9.778 15.448 1.00 11.13 C ATOM 61 C GLU A 18 26.210 10.489 15.285 1.00 16.48 C ATOM 62 O GLU A 18 25.169 9.838 15.268 1.00 16.21 O ATOM 63 CB GLU A 18 27.918 9.049 14.155 1.00 13.19 C ATOM 64 CG GLU A 18 29.302 8.411 14.297 1.00 13.76 C ATOM 65 CD GLU A 18 29.601 7.386 13.207 1.00 23.16 C ATOM 66 OE1 GLU A 18 30.609 6.681 13.344 1.00 22.09 O ATOM 67 OE2 GLU A 18 28.811 7.241 12.254 1.00 16.33 O ATOM 68 N THR A 19 26.274 11.823 15.163 1.00 13.93 N ATOM 69 CA THR A 19 25.083 12.670 15.083 1.00 13.28 C ATOM 70 C THR A 19 24.852 13.119 13.676 1.00 15.74 C ATOM 71 O THR A 19 25.769 13.610 13.024 1.00 15.49 O ATOM 72 CB THR A 19 25.168 13.893 16.052 1.00 19.61 C ATOM 73 OG1 THR A 19 25.319 13.430 17.401 1.00 22.49 O ATOM 74 CG2 THR A 19 23.882 14.669 15.993 1.00 23.06 C ATOM 75 N PHE A 20 23.609 12.931 13.205 1.00 13.17 N ATOM 76 CA PHE A 20 23.242 13.239 11.847 1.00 13.32 C ATOM 77 C PHE A 20 22.000 14.083 11.752 1.00 18.07 C ATOM 78 O PHE A 20 21.149 14.053 12.634 1.00 17.09 O ATOM 79 CB PHE A 20 22.917 11.954 11.083 1.00 13.75 C ATOM 80 CG PHE A 20 24.078 11.038 10.913 1.00 14.08 C ATOM 81 CD1 PHE A 20 24.923 11.166 9.812 1.00 16.16 C ATOM 82 CD2 PHE A 20 24.251 9.971 11.779 1.00 14.18 C ATOM 83 CE1 PHE A 20 26.001 10.286 9.636 1.00 16.43 C ATOM 84 CE2 PHE A 20 25.332 9.087 11.603 1.00 17.49 C ATOM 85 CZ PHE A 20 26.198 9.273 10.533 1.00 15.32 C ATOM 86 N ALA A 21 21.914 14.845 10.659 1.00 14.09 N ATOM 87 CA ALA A 21 20.694 15.556 10.391 1.00 12.29 C ATOM 88 C ALA A 21 19.932 14.681 9.404 1.00 14.40 C ATOM 89 O ALA A 21 20.501 14.140 8.436 1.00 13.70 O ATOM 90 CB ALA A 21 21.010 16.919 9.679 1.00 13.29 C ATOM 91 N PHE A 22 18.628 14.626 9.571 1.00 11.41 N ATOM 92 CA PHE A 22 17.801 14.032 8.559 1.00 10.52 C ATOM 93 C PHE A 22 17.922 14.854 7.290 1.00 12.74 C ATOM 94 O PHE A 22 18.035 16.082 7.342 1.00 14.42 O ATOM 95 CB PHE A 22 16.346 14.080 9.005 1.00 11.04 C ATOM 96 CG PHE A 22 16.004 13.017 9.993 1.00 12.96 C ATOM 97 CD1 PHE A 22 16.042 11.686 9.602 1.00 14.90 C ATOM 98 CD2 PHE A 22 15.721 13.347 11.328 1.00 12.34 C ATOM 99 CE1 PHE A 22 15.732 10.670 10.503 1.00 13.85 C ATOM 100 CE2 PHE A 22 15.410 12.333 12.222 1.00 12.40 C ATOM 101 CZ PHE A 22 15.429 10.995 11.792 1.00 12.11 C ATOM 102 N GLN A 23 17.859 14.172 6.150 1.00 13.82 N ATOM 103 CA GLN A 23 17.842 14.834 4.854 1.00 14.69 C ATOM 104 C GLN A 23 16.627 15.793 4.860 1.00 16.05 C ATOM 105 O GLN A 23 15.614 15.533 5.495 1.00 14.73 O ATOM 106 CB GLN A 23 17.714 13.795 3.746 1.00 15.78 C ATOM 107 CG GLN A 23 17.842 14.356 2.349 1.00 18.18 C ATOM 108 CD GLN A 23 16.508 14.803 1.765 1.00 16.53 C ATOM 109 OE1 GLN A 23 15.435 14.397 2.237 1.00 16.48 O ATOM 110 NE2 GLN A 23 16.569 15.612 0.699 1.00 17.06 N ATOM 111 N ALA A 24 16.806 16.976 4.296 1.00 13.14 N ATOM 112 CA ALA A 24 15.775 18.023 4.429 1.00 14.54 C ATOM 113 C ALA A 24 14.306 17.623 4.171 1.00 15.71 C ATOM 114 O ALA A 24 13.407 18.037 4.911 1.00 15.04 O ATOM 115 CB ALA A 24 16.151 19.267 3.604 1.00 14.76 C ATOM 116 N GLU A 25 14.057 16.832 3.150 1.00 14.35 N ATOM 117 CA GLU A 25 12.661 16.470 2.873 1.00 14.39 C ATOM 118 C GLU A 25 12.149 15.438 3.881 1.00 14.87 C ATOM 119 O GLU A 25 10.977 15.477 4.278 1.00 15.57 O ATOM 120 CB GLU A 25 12.520 16.035 1.411 1.00 16.23 C ATOM 121 CG GLU A 25 12.577 17.269 0.495 1.00 21.45 C ATOM 122 CD GLU A 25 13.228 17.018 -0.846 1.00 44.06 C ATOM 123 OE1 GLU A 25 14.093 16.127 -0.968 1.00 33.22 O ATOM 124 OE2 GLU A 25 12.924 17.792 -1.771 1.00 45.71 O ATOM 125 N ILE A 26 13.041 14.577 4.357 1.00 11.78 N ATOM 126 C ILE A 26 12.293 14.389 6.644 1.00 15.16 C ATOM 127 O ILE A 26 11.321 14.086 7.303 1.00 13.39 O ATOM 128 CA AILE A 26 12.645 13.606 5.385 0.50 11.59 C ATOM 129 CB AILE A 26 13.746 12.547 5.645 0.50 13.98 C ATOM 130 CG1AILE A 26 13.957 11.663 4.402 0.50 14.76 C ATOM 131 CG2AILE A 26 13.412 11.720 6.894 0.50 15.79 C ATOM 132 CD1AILE A 26 12.885 10.618 4.197 0.50 20.10 C ATOM 133 CA BILE A 26 12.639 13.613 5.392 0.50 11.13 C ATOM 134 CB BILE A 26 13.732 12.583 5.691 0.50 13.00 C ATOM 135 CG1BILE A 26 13.927 11.647 4.498 0.50 13.22 C ATOM 136 CG2BILE A 26 13.410 11.822 6.990 0.50 14.70 C ATOM 137 CD1BILE A 26 15.152 10.825 4.633 0.50 8.69 C ATOM 138 N ALA A 27 13.084 15.426 6.961 1.00 14.14 N ATOM 139 CA ALA A 27 12.785 16.239 8.159 1.00 14.19 C ATOM 140 C ALA A 27 11.401 16.940 8.008 1.00 15.82 C ATOM 141 O ALA A 27 10.581 16.977 8.929 1.00 13.51 O ATOM 142 CB ALA A 27 13.921 17.241 8.472 1.00 15.59 C ATOM 143 N GLN A 28 11.150 17.464 6.825 1.00 14.24 N ATOM 144 CA GLN A 28 9.868 18.139 6.553 1.00 13.43 C ATOM 145 C GLN A 28 8.698 17.151 6.731 1.00 15.39 C ATOM 146 O GLN A 28 7.671 17.472 7.320 1.00 16.03 O ATOM 147 CB GLN A 28 9.930 18.590 5.096 1.00 16.53 C ATOM 148 CG GLN A 28 8.721 19.277 4.552 1.00 25.71 C ATOM 149 CD GLN A 28 9.087 20.103 3.314 1.00 39.16 C ATOM 150 OE1 GLN A 28 8.439 21.093 3.014 1.00 48.97 O ATOM 151 NE2 GLN A 28 10.213 19.773 2.689 1.00 21.17 N ATOM 152 N LEU A 29 8.872 15.945 6.214 1.00 11.46 N ATOM 153 CA LEU A 29 7.864 14.888 6.353 1.00 13.17 C ATOM 154 C LEU A 29 7.635 14.510 7.802 1.00 17.59 C ATOM 155 O LEU A 29 6.493 14.387 8.247 1.00 15.55 O ATOM 156 CB LEU A 29 8.294 13.668 5.525 1.00 14.54 C ATOM 157 CG LEU A 29 7.400 12.433 5.727 1.00 20.26 C ATOM 158 CD1 LEU A 29 5.930 12.789 5.478 1.00 21.27 C ATOM 159 CD2 LEU A 29 7.842 11.321 4.755 1.00 21.08 C ATOM 160 N MET A 30 8.726 14.275 8.552 1.00 13.84 N ATOM 161 CA MET A 30 8.561 13.900 9.949 1.00 12.55 C ATOM 162 C MET A 30 7.807 15.006 10.681 1.00 15.29 C ATOM 163 O MET A 30 6.979 14.728 11.505 1.00 16.36 O ATOM 164 CB MET A 30 9.930 13.679 10.601 1.00 13.42 C ATOM 165 CG MET A 30 10.579 12.403 10.069 1.00 13.69 C ATOM 166 SD MET A 30 12.224 12.127 10.774 1.00 15.49 S ATOM 167 CE MET A 30 11.699 11.542 12.466 1.00 15.40 C ATOM 168 N SER A 31 8.084 16.268 10.349 1.00 13.04 N ATOM 169 CA SER A 31 7.440 17.392 11.066 1.00 13.46 C ATOM 170 C SER A 31 5.928 17.377 10.731 1.00 17.60 C ATOM 171 O SER A 31 5.087 17.631 11.587 1.00 20.14 O ATOM 172 CB SER A 31 8.075 18.731 10.650 1.00 17.23 C ATOM 173 OG SER A 31 7.517 19.790 11.433 1.00 23.57 O ATOM 174 N LEU A 32 5.582 17.019 9.512 1.00 17.98 N ATOM 175 CA LEU A 32 4.161 16.912 9.134 1.00 20.86 C ATOM 176 C LEU A 32 3.531 15.800 9.975 1.00 26.45 C ATOM 177 O LEU A 32 2.509 15.993 10.624 1.00 26.69 O ATOM 178 CB LEU A 32 4.022 16.494 7.657 1.00 22.79 C ATOM 179 CG LEU A 32 3.699 17.527 6.588 1.00 28.29 C ATOM 180 CD1 LEU A 32 3.186 16.720 5.394 1.00 28.41 C ATOM 181 CD2 LEU A 32 2.601 18.445 7.126 1.00 31.65 C ATOM 182 N ILE A 33 4.179 14.639 9.973 1.00 19.45 N ATOM 183 CA ILE A 33 3.704 13.443 10.661 1.00 18.74 C ATOM 184 C ILE A 33 3.419 13.683 12.117 1.00 24.06 C ATOM 185 O ILE A 33 2.431 13.194 12.657 1.00 25.97 O ATOM 186 CB ILE A 33 4.693 12.262 10.452 1.00 19.49 C ATOM 187 CG1 ILE A 33 4.536 11.695 9.041 1.00 18.32 C ATOM 188 CG2 ILE A 33 4.477 11.145 11.483 1.00 22.00 C ATOM 189 CD1 ILE A 33 5.635 10.796 8.631 1.00 20.70 C ATOM 190 N ILE A 34 4.299 14.441 12.748 1.00 19.72 N ATOM 191 CA ILE A 34 4.236 14.714 14.159 1.00 19.71 C ATOM 192 C ILE A 34 3.301 15.860 14.530 1.00 24.75 C ATOM 193 O ILE A 34 2.681 15.838 15.614 1.00 26.22 O ATOM 194 CB ILE A 34 5.676 15.015 14.668 1.00 22.48 C ATOM 195 CG1 ILE A 34 6.596 13.810 14.468 1.00 22.52 C ATOM 196 CG2 ILE A 34 5.668 15.606 16.053 1.00 22.18 C ATOM 197 CD1 ILE A 34 8.067 14.113 14.768 1.00 24.13 C ATOM 198 N ASN A 35 3.301 16.909 13.711 1.00 20.34 N ATOM 199 CA ASN A 35 2.579 18.141 14.042 1.00 20.95 C ATOM 200 C ASN A 35 1.212 18.316 13.423 1.00 28.26 C ATOM 201 O ASN A 35 0.561 19.341 13.634 1.00 30.37 O ATOM 202 CB ASN A 35 3.458 19.349 13.718 1.00 21.21 C ATOM 203 CG ASN A 35 4.757 19.339 14.511 1.00 32.34 C ATOM 204 OD1 ASN A 35 5.844 19.138 13.960 1.00 28.68 O ATOM 205 ND2 ASN A 35 4.641 19.508 15.820 1.00 25.46 N ATOM 206 N THR A 36 0.805 17.342 12.623 1.00 22.70 N ATOM 207 CA THR A 36 -0.476 17.391 11.949 1.00 22.08 C ATOM 208 C THR A 36 -1.315 16.213 12.423 1.00 25.10 C ATOM 209 O THR A 36 -0.815 15.095 12.603 1.00 23.59 O ATOM 210 CB THR A 36 -0.283 17.325 10.421 1.00 31.01 C ATOM 211 OG1 THR A 36 0.483 18.464 10.003 1.00 31.07 O ATOM 212 CG2 THR A 36 -1.664 17.288 9.688 1.00 29.67 C ATOM 213 N PHE A 37 -2.611 16.432 12.582 1.00 20.02 N ATOM 214 CA PHE A 37 -3.422 15.313 13.003 1.00 19.78 C ATOM 215 C PHE A 37 -3.724 14.410 11.814 1.00 23.62 C ATOM 216 O PHE A 37 -4.050 14.901 10.726 1.00 23.79 O ATOM 217 CB PHE A 37 -4.719 15.775 13.682 1.00 22.52 C ATOM 218 CG PHE A 37 -5.670 14.646 13.983 1.00 24.48 C ATOM 219 CD1 PHE A 37 -5.620 13.988 15.196 1.00 28.98 C ATOM 220 CD2 PHE A 37 -6.628 14.271 13.048 1.00 25.67 C ATOM 221 CE1 PHE A 37 -6.501 12.934 15.467 1.00 30.03 C ATOM 222 CE2 PHE A 37 -7.528 13.236 13.322 1.00 28.53 C ATOM 223 CZ PHE A 37 -7.456 12.566 14.522 1.00 27.15 C ATOM 224 N TYR A 38 -3.548 13.098 11.988 1.00 18.65 N ATOM 225 CA TYR A 38 -3.911 12.156 10.941 1.00 16.94 C ATOM 226 C TYR A 38 -4.736 11.063 11.560 1.00 19.96 C ATOM 227 O TYR A 38 -4.395 10.558 12.621 1.00 19.81 O ATOM 228 CB TYR A 38 -2.682 11.507 10.290 1.00 18.79 C ATOM 229 CG TYR A 38 -1.855 12.489 9.479 1.00 22.37 C ATOM 230 CD1 TYR A 38 -2.329 12.995 8.278 1.00 25.73 C ATOM 231 CD2 TYR A 38 -0.646 12.981 9.981 1.00 23.41 C ATOM 232 CE1 TYR A 38 -1.609 13.963 7.571 1.00 25.03 C ATOM 233 CE2 TYR A 38 0.098 13.916 9.262 1.00 24.42 C ATOM 234 CZ TYR A 38 -0.386 14.399 8.065 1.00 28.46 C ATOM 235 OH TYR A 38 0.359 15.324 7.358 1.00 27.98 O ATOM 236 N SER A 39 -5.819 10.671 10.901 1.00 16.41 N ATOM 237 CA SER A 39 -6.606 9.574 11.450 1.00 15.57 C ATOM 238 C SER A 39 -5.920 8.258 11.015 1.00 18.36 C ATOM 239 O SER A 39 -5.051 8.262 10.134 1.00 18.14 O ATOM 240 CB SER A 39 -8.022 9.584 10.837 1.00 23.39 C ATOM 241 OG SER A 39 -8.569 10.888 10.867 1.00 29.37 O ATOM 242 N ASN A 40 -6.422 7.132 11.532 1.00 14.01 N ATOM 243 CA ASN A 40 -5.983 5.803 11.099 1.00 13.69 C ATOM 244 C ASN A 40 -4.477 5.548 11.198 1.00 13.15 C ATOM 245 O ASN A 40 -3.867 4.958 10.297 1.00 14.64 O ATOM 246 CB ASN A 40 -6.466 5.570 9.661 1.00 14.44 C ATOM 247 CG ASN A 40 -7.982 5.830 9.520 1.00 28.21 C ATOM 248 OD1 ASN A 40 -8.760 5.265 10.283 1.00 21.58 O ATOM 249 ND2 ASN A 40 -8.371 6.816 8.693 1.00 18.12 N ATOM 250 N LYS A 41 -3.943 5.861 12.366 1.00 10.97 N ATOM 251 CA LYS A 41 -2.522 5.656 12.638 1.00 11.09 C ATOM 252 C LYS A 41 -2.132 4.180 12.858 1.00 14.92 C ATOM 253 O LYS A 41 -0.948 3.839 12.856 1.00 15.37 O ATOM 254 CB LYS A 41 -2.159 6.516 13.859 1.00 12.76 C ATOM 255 CG LYS A 41 -2.198 7.999 13.531 1.00 12.84 C ATOM 256 CD LYS A 41 -1.796 8.852 14.761 1.00 14.13 C ATOM 257 CE LYS A 41 -1.400 10.259 14.318 1.00 19.63 C ATOM 258 NZ LYS A 41 -0.987 11.091 15.500 1.00 26.32 N ATOM 259 N GLU A 42 -3.108 3.321 13.099 1.00 14.44 N ATOM 260 CA GLU A 42 -2.786 1.933 13.425 1.00 13.53 C ATOM 261 C GLU A 42 -1.922 1.235 12.382 1.00 14.85 C ATOM 262 O GLU A 42 -1.292 0.215 12.676 1.00 14.60 O ATOM 263 CB GLU A 42 -4.060 1.131 13.645 1.00 14.38 C ATOM 264 CG GLU A 42 -4.895 0.957 12.381 1.00 17.46 C ATOM 265 CD GLU A 42 -6.214 0.286 12.705 1.00 36.99 C ATOM 266 OE1 GLU A 42 -6.753 -0.428 11.846 1.00 26.43 O ATOM 267 OE2 GLU A 42 -6.642 0.367 13.877 1.00 28.27 O ATOM 268 N ILE A 43 -1.851 1.821 11.183 1.00 12.53 N ATOM 269 CA ILE A 43 -1.054 1.235 10.091 1.00 12.16 C ATOM 270 C ILE A 43 0.443 1.272 10.367 1.00 11.28 C ATOM 271 O ILE A 43 1.229 0.612 9.680 1.00 12.72 O ATOM 272 CB ILE A 43 -1.421 1.806 8.718 1.00 14.69 C ATOM 273 CG1 ILE A 43 -1.172 3.303 8.669 1.00 14.29 C ATOM 274 CG2 ILE A 43 -2.923 1.545 8.418 1.00 13.96 C ATOM 275 CD1 ILE A 43 0.245 3.697 8.352 1.00 19.33 C ATOM 276 N PHE A 44 0.852 1.965 11.427 1.00 9.58 N ATOM 277 CA PHE A 44 2.294 1.966 11.737 1.00 9.12 C ATOM 278 C PHE A 44 2.768 0.536 11.995 1.00 13.31 C ATOM 279 O PHE A 44 3.912 0.188 11.682 1.00 13.50 O ATOM 280 CB PHE A 44 2.626 2.872 12.960 1.00 11.17 C ATOM 281 CG PHE A 44 2.327 2.221 14.277 1.00 11.87 C ATOM 282 CD1 PHE A 44 1.062 2.315 14.834 1.00 12.96 C ATOM 283 CD2 PHE A 44 3.302 1.482 14.928 1.00 13.35 C ATOM 284 CE1 PHE A 44 0.728 1.620 16.023 1.00 13.80 C ATOM 285 CE2 PHE A 44 2.984 0.783 16.138 1.00 14.37 C ATOM 286 CZ PHE A 44 1.691 0.861 16.664 1.00 13.37 C ATOM 287 N LEU A 45 1.917 -0.287 12.599 1.00 13.03 N ATOM 288 CA LEU A 45 2.334 -1.639 12.936 1.00 10.83 C ATOM 289 C LEU A 45 2.505 -2.464 11.682 1.00 13.95 C ATOM 290 O LEU A 45 3.424 -3.291 11.588 1.00 14.03 O ATOM 291 CB LEU A 45 1.382 -2.296 13.957 1.00 10.98 C ATOM 292 CG LEU A 45 1.902 -3.598 14.573 1.00 15.47 C ATOM 293 CD1 LEU A 45 3.336 -3.477 15.182 1.00 16.64 C ATOM 294 CD2 LEU A 45 0.910 -4.128 15.598 1.00 14.89 C ATOM 295 N ARG A 46 1.611 -2.245 10.723 1.00 8.86 N ATOM 296 CA ARG A 46 1.669 -2.976 9.472 1.00 9.92 C ATOM 297 C ARG A 46 3.025 -2.692 8.799 1.00 15.70 C ATOM 298 O ARG A 46 3.666 -3.581 8.279 1.00 17.03 O ATOM 299 CB ARG A 46 0.562 -2.450 8.549 1.00 11.63 C ATOM 300 CG ARG A 46 0.501 -3.208 7.207 1.00 21.38 C ATOM 301 CD ARG A 46 -0.295 -2.435 6.140 1.00 21.41 C ATOM 302 NE ARG A 46 0.273 -1.115 5.876 1.00 20.16 N ATOM 303 CZ ARG A 46 -0.423 -0.068 5.443 1.00 19.71 C ATOM 304 NH1 ARG A 46 -1.743 -0.173 5.283 1.00 18.27 N ATOM 305 NH2 ARG A 46 0.188 1.092 5.201 1.00 20.57 N ATOM 306 N GLU A 47 3.441 -1.425 8.808 1.00 13.81 N ATOM 307 CA GLU A 47 4.698 -1.039 8.163 1.00 13.86 C ATOM 308 C GLU A 47 5.909 -1.706 8.829 1.00 15.88 C ATOM 309 O GLU A 47 6.811 -2.210 8.152 1.00 14.98 O ATOM 310 CB GLU A 47 4.841 0.481 8.185 1.00 15.52 C ATOM 311 CG GLU A 47 3.790 1.163 7.322 1.00 15.10 C ATOM 312 CD GLU A 47 3.961 0.789 5.849 1.00 27.64 C ATOM 313 OE1 GLU A 47 5.109 0.650 5.397 1.00 21.26 O ATOM 314 OE2 GLU A 47 2.954 0.602 5.154 1.00 27.04 O ATOM 315 N LEU A 48 5.887 -1.744 10.148 1.00 12.24 N ATOM 316 CA LEU A 48 6.973 -2.364 10.901 1.00 11.53 C ATOM 317 C LEU A 48 7.040 -3.866 10.600 1.00 12.33 C ATOM 318 O LEU A 48 8.114 -4.397 10.352 1.00 11.86 O ATOM 319 CB LEU A 48 6.799 -2.153 12.413 1.00 12.63 C ATOM 320 CG LEU A 48 7.183 -0.753 12.914 1.00 18.03 C ATOM 321 CD1 LEU A 48 6.515 -0.500 14.229 1.00 17.54 C ATOM 322 CD2 LEU A 48 8.679 -0.660 13.166 1.00 26.06 C ATOM 323 N ILE A 49 5.895 -4.537 10.616 1.00 12.10 N ATOM 324 CA ILE A 49 5.852 -5.988 10.359 1.00 9.21 C ATOM 325 C ILE A 49 6.243 -6.262 8.916 1.00 13.24 C ATOM 326 O ILE A 49 6.927 -7.256 8.618 1.00 12.63 O ATOM 327 CB ILE A 49 4.483 -6.556 10.709 1.00 12.89 C ATOM 328 CG1 ILE A 49 4.217 -6.401 12.224 1.00 11.61 C ATOM 329 CG2 ILE A 49 4.337 -7.971 10.178 1.00 13.10 C ATOM 330 CD1 ILE A 49 2.798 -6.867 12.630 1.00 12.56 C ATOM 331 N SER A 50 5.903 -5.353 8.009 1.00 12.98 N ATOM 332 C SER A 50 7.809 -5.491 6.467 1.00 14.47 C ATOM 333 O SER A 50 8.406 -6.304 5.731 1.00 12.90 O ATOM 334 CA ASER A 50 6.296 -5.535 6.611 0.50 13.12 C ATOM 335 CB ASER A 50 5.642 -4.473 5.725 0.50 16.73 C ATOM 336 OG ASER A 50 4.277 -4.772 5.600 0.50 16.87 O ATOM 337 CA BSER A 50 6.285 -5.538 6.610 0.50 13.40 C ATOM 338 CB BSER A 50 5.626 -4.476 5.714 0.50 17.96 C ATOM 339 OG BSER A 50 6.125 -4.588 4.396 0.50 22.94 O ATOM 340 N ASN A 51 8.426 -4.539 7.165 1.00 12.44 N ATOM 341 CA ASN A 51 9.874 -4.377 7.122 1.00 11.64 C ATOM 342 C ASN A 51 10.548 -5.595 7.722 1.00 13.17 C ATOM 343 O ASN A 51 11.521 -6.090 7.163 1.00 12.87 O ATOM 344 CB ASN A 51 10.348 -3.065 7.790 1.00 10.59 C ATOM 345 CG ASN A 51 10.072 -1.831 6.910 1.00 24.22 C ATOM 346 OD1 ASN A 51 10.118 -1.921 5.694 1.00 32.54 O ATOM 347 ND2 ASN A 51 10.001 -0.669 7.524 1.00 25.00 N ATOM 348 N SER A 52 9.963 -6.131 8.805 1.00 10.34 N ATOM 349 CA SER A 52 10.524 -7.314 9.426 1.00 10.45 C ATOM 350 C SER A 52 10.421 -8.479 8.439 1.00 9.70 C ATOM 351 O SER A 52 11.375 -9.246 8.245 1.00 9.90 O ATOM 352 CB SER A 52 9.762 -7.639 10.701 1.00 11.63 C ATOM 353 OG SER A 52 10.047 -6.689 11.737 1.00 12.83 O ATOM 354 N SER A 53 9.245 -8.632 7.827 1.00 10.29 N ATOM 355 CA SER A 53 9.024 -9.720 6.878 1.00 10.25 C ATOM 356 C SER A 53 10.004 -9.657 5.730 1.00 12.24 C ATOM 357 O SER A 53 10.576 -10.679 5.369 1.00 12.82 O ATOM 358 CB SER A 53 7.571 -9.681 6.327 1.00 15.32 C ATOM 359 OG SER A 53 7.357 -10.783 5.434 1.00 20.15 O ATOM 360 N ASP A 54 10.238 -8.470 5.155 1.00 10.53 N ATOM 361 CA ASP A 54 11.243 -8.327 4.093 1.00 11.42 C ATOM 362 C ASP A 54 12.659 -8.728 4.551 1.00 12.51 C ATOM 363 O ASP A 54 13.410 -9.396 3.822 1.00 13.22 O ATOM 364 CB ASP A 54 11.282 -6.882 3.605 1.00 14.48 C ATOM 365 CG ASP A 54 10.016 -6.487 2.886 1.00 21.03 C ATOM 366 OD1 ASP A 54 9.227 -7.394 2.576 1.00 22.29 O ATOM 367 OD2 ASP A 54 9.926 -5.316 2.460 1.00 23.13 O ATOM 368 N ALA A 55 13.007 -8.336 5.768 1.00 10.64 N ATOM 369 CA ALA A 55 14.347 -8.666 6.313 1.00 11.31 C ATOM 370 C ALA A 55 14.466 -10.186 6.535 1.00 13.44 C ATOM 371 O ALA A 55 15.535 -10.788 6.362 1.00 12.87 O ATOM 372 CB ALA A 55 14.540 -7.953 7.603 1.00 11.55 C ATOM 373 N LEU A 56 13.367 -10.787 6.961 1.00 10.18 N ATOM 374 CA LEU A 56 13.348 -12.219 7.216 1.00 9.53 C ATOM 375 C LEU A 56 13.445 -12.950 5.872 1.00 13.64 C ATOM 376 O LEU A 56 14.195 -13.898 5.728 1.00 12.33 O ATOM 377 CB LEU A 56 12.084 -12.617 7.967 1.00 9.57 C ATOM 378 CG LEU A 56 12.127 -12.213 9.464 1.00 11.35 C ATOM 379 CD1 LEU A 56 10.740 -12.216 10.141 1.00 9.99 C ATOM 380 CD2 LEU A 56 13.021 -13.207 10.227 1.00 13.03 C ATOM 381 N ASP A 57 12.681 -12.503 4.883 1.00 12.20 N ATOM 382 CA ASP A 57 12.796 -13.063 3.524 1.00 11.84 C ATOM 383 C ASP A 57 14.249 -13.065 3.028 1.00 14.21 C ATOM 384 O ASP A 57 14.707 -14.042 2.407 1.00 13.18 O ATOM 385 CB ASP A 57 11.992 -12.194 2.542 1.00 12.04 C ATOM 386 CG ASP A 57 10.479 -12.486 2.569 1.00 18.43 C ATOM 387 OD1 ASP A 57 10.015 -13.480 3.187 1.00 17.53 O ATOM 388 OD2 ASP A 57 9.743 -11.701 1.937 1.00 17.03 O ATOM 389 N LYS A 58 14.940 -11.957 3.249 1.00 11.57 N ATOM 390 CA LYS A 58 16.330 -11.793 2.773 1.00 11.47 C ATOM 391 C LYS A 58 17.307 -12.807 3.381 1.00 14.52 C ATOM 392 O LYS A 58 18.055 -13.469 2.649 1.00 14.17 O ATOM 393 CB LYS A 58 16.810 -10.370 2.996 1.00 12.91 C ATOM 394 CG LYS A 58 18.078 -10.021 2.226 1.00 16.76 C ATOM 395 CD LYS A 58 17.874 -9.947 0.759 1.00 28.14 C ATOM 396 CE LYS A 58 19.197 -9.482 0.172 1.00 41.56 C ATOM 397 NZ LYS A 58 20.124 -10.634 -0.030 1.00 49.18 N ATOM 398 N ILE A 59 17.280 -12.950 4.707 1.00 10.61 N ATOM 399 CA ILE A 59 18.147 -13.948 5.362 1.00 10.04 C ATOM 400 C ILE A 59 17.730 -15.357 4.958 1.00 13.45 C ATOM 401 O ILE A 59 18.579 -16.188 4.726 1.00 13.48 O ATOM 402 CB ILE A 59 18.233 -13.807 6.890 1.00 12.85 C ATOM 403 CG1 ILE A 59 19.229 -14.831 7.481 1.00 14.77 C ATOM 404 CG2 ILE A 59 16.853 -13.986 7.543 1.00 11.37 C ATOM 405 CD1 ILE A 59 20.690 -14.626 7.060 1.00 18.04 C ATOM 406 N ARG A 60 16.433 -15.632 4.819 1.00 10.05 N ATOM 407 C ARG A 60 16.584 -17.247 2.991 1.00 12.52 C ATOM 408 O ARG A 60 17.163 -18.308 2.744 1.00 12.86 O ATOM 409 CA AARG A 60 16.011 -16.957 4.393 0.50 10.01 C ATOM 410 CB AARG A 60 14.493 -17.012 4.331 0.50 9.29 C ATOM 411 CG AARG A 60 13.994 -18.324 3.808 0.50 9.73 C ATOM 412 CD AARG A 60 12.492 -18.367 3.900 0.50 16.02 C ATOM 413 NE AARG A 60 11.859 -17.357 3.068 0.50 14.76 N ATOM 414 CZ AARG A 60 10.542 -17.183 3.030 0.50 42.24 C ATOM 415 NH1AARG A 60 9.756 -17.909 3.819 0.50 38.12 N ATOM 416 NH2AARG A 60 10.013 -16.284 2.224 0.50 29.53 N ATOM 417 CA BARG A 60 16.007 -16.961 4.395 0.50 10.04 C ATOM 418 CB BARG A 60 14.482 -17.012 4.340 0.50 10.20 C ATOM 419 CG BARG A 60 13.944 -18.172 3.535 0.50 13.85 C ATOM 420 CD BARG A 60 12.437 -18.294 3.718 0.50 18.47 C ATOM 421 NE BARG A 60 12.102 -18.775 5.055 0.50 21.93 N ATOM 422 CZ BARG A 60 10.893 -18.690 5.594 0.50 33.42 C ATOM 423 NH1BARG A 60 9.899 -18.133 4.914 0.50 28.06 N ATOM 424 NH2BARG A 60 10.673 -19.170 6.809 0.50 17.26 N ATOM 425 N TYR A 61 16.425 -16.290 2.079 1.00 9.70 N ATOM 426 CA TYR A 61 16.937 -16.428 0.706 1.00 8.42 C ATOM 427 C TYR A 61 18.442 -16.667 0.666 1.00 11.69 C ATOM 428 O TYR A 61 18.943 -17.559 -0.069 1.00 10.56 O ATOM 429 CB TYR A 61 16.600 -15.168 -0.086 1.00 9.47 C ATOM 430 CG TYR A 61 16.780 -15.304 -1.579 1.00 11.61 C ATOM 431 CD1 TYR A 61 15.821 -15.918 -2.358 1.00 13.46 C ATOM 432 CD2 TYR A 61 17.901 -14.760 -2.201 1.00 13.39 C ATOM 433 CE1 TYR A 61 15.964 -16.023 -3.742 1.00 16.01 C ATOM 434 CE2 TYR A 61 18.047 -14.826 -3.576 1.00 15.11 C ATOM 435 CZ TYR A 61 17.102 -15.493 -4.330 1.00 17.40 C ATOM 436 OH TYR A 61 17.266 -15.520 -5.700 1.00 17.16 O ATOM 437 N GLU A 62 19.191 -15.863 1.426 1.00 10.75 N ATOM 438 CA GLU A 62 20.650 -16.039 1.448 1.00 11.00 C ATOM 439 C GLU A 62 21.028 -17.397 2.021 1.00 10.81 C ATOM 440 O GLU A 62 22.007 -18.017 1.564 1.00 12.78 O ATOM 441 CB GLU A 62 21.324 -14.903 2.204 1.00 12.57 C ATOM 442 CG GLU A 62 21.053 -13.544 1.563 1.00 14.70 C ATOM 443 CD GLU A 62 21.993 -12.449 2.059 1.00 26.16 C ATOM 444 OE1 GLU A 62 21.769 -11.297 1.664 1.00 27.86 O ATOM 445 OE2 GLU A 62 22.930 -12.721 2.854 1.00 24.23 O ATOM 446 N SER A 63 20.260 -17.850 3.021 1.00 10.15 N ATOM 447 CA SER A 63 20.535 -19.123 3.671 1.00 10.36 C ATOM 448 C SER A 63 20.323 -20.345 2.773 1.00 17.22 C ATOM 449 O SER A 63 20.870 -21.395 3.076 1.00 15.12 O ATOM 450 CB SER A 63 19.711 -19.312 4.970 1.00 11.88 C ATOM 451 OG SER A 63 18.348 -19.518 4.690 1.00 14.48 O ATOM 452 N LEU A 64 19.537 -20.202 1.696 1.00 15.43 N ATOM 453 CA LEU A 64 19.325 -21.306 0.731 1.00 16.25 C ATOM 454 C LEU A 64 20.683 -21.762 0.230 1.00 18.13 C ATOM 455 O LEU A 64 20.912 -22.951 -0.001 1.00 20.19 O ATOM 456 CB LEU A 64 18.550 -20.806 -0.479 1.00 15.90 C ATOM 457 CG LEU A 64 17.065 -20.556 -0.269 1.00 16.30 C ATOM 458 CD1 LEU A 64 16.560 -19.958 -1.550 1.00 17.91 C ATOM 459 CD2 LEU A 64 16.368 -21.898 -0.045 1.00 16.65 C ATOM 460 N THR A 65 21.573 -20.796 0.043 1.00 12.79 N ATOM 461 CA THR A 65 22.895 -21.044 -0.520 1.00 12.76 C ATOM 462 C THR A 65 23.985 -21.169 0.530 1.00 19.52 C ATOM 463 O THR A 65 24.960 -21.896 0.343 1.00 18.78 O ATOM 464 CB THR A 65 23.242 -19.890 -1.477 1.00 12.94 C ATOM 465 OG1 THR A 65 22.180 -19.776 -2.423 1.00 15.15 O ATOM 466 CG2 THR A 65 24.560 -20.177 -2.195 1.00 16.71 C ATOM 467 N ASP A 66 23.826 -20.447 1.638 1.00 16.63 N ATOM 468 CA ASP A 66 24.860 -20.478 2.668 1.00 15.50 C ATOM 469 C ASP A 66 24.234 -20.595 4.053 1.00 16.90 C ATOM 470 O ASP A 66 23.955 -19.603 4.698 1.00 14.90 O ATOM 471 CB ASP A 66 25.731 -19.243 2.539 1.00 19.16 C ATOM 472 CG ASP A 66 26.876 -19.215 3.544 1.00 24.88 C ATOM 473 OD1 ASP A 66 27.018 -20.194 4.292 1.00 26.78 O ATOM 474 OD2 ASP A 66 27.608 -18.194 3.594 1.00 32.91 O ATOM 475 N PRO A 67 24.007 -21.832 4.513 1.00 17.44 N ATOM 476 CA PRO A 67 23.427 -22.162 5.822 1.00 18.80 C ATOM 477 C PRO A 67 24.187 -21.484 6.960 1.00 20.83 C ATOM 478 O PRO A 67 23.594 -21.201 8.010 1.00 19.25 O ATOM 479 CB PRO A 67 23.618 -23.682 5.916 1.00 20.97 C ATOM 480 CG PRO A 67 23.613 -24.155 4.485 1.00 23.30 C ATOM 481 CD PRO A 67 24.043 -22.996 3.615 1.00 17.76 C ATOM 482 N SER A 68 25.471 -21.203 6.740 1.00 17.82 N ATOM 483 CA SER A 68 26.309 -20.573 7.761 1.00 18.56 C ATOM 484 C SER A 68 25.836 -19.175 8.152 1.00 21.28 C ATOM 485 O SER A 68 26.119 -18.676 9.261 1.00 20.02 O ATOM 486 CB SER A 68 27.802 -20.604 7.394 1.00 21.28 C ATOM 487 OG SER A 68 28.139 -19.585 6.479 1.00 26.99 O ATOM 488 N LYS A 69 25.051 -18.566 7.275 1.00 15.77 N ATOM 489 CA LYS A 69 24.505 -17.255 7.585 1.00 14.79 C ATOM 490 C LYS A 69 23.512 -17.343 8.732 1.00 14.89 C ATOM 491 O LYS A 69 23.195 -16.333 9.344 1.00 14.03 O ATOM 492 CB LYS A 69 23.880 -16.626 6.349 1.00 14.88 C ATOM 493 CG LYS A 69 24.931 -16.185 5.345 1.00 18.44 C ATOM 494 CD LYS A 69 24.328 -15.560 4.163 1.00 15.90 C ATOM 495 CE LYS A 69 25.399 -14.811 3.347 1.00 25.38 C ATOM 496 NZ LYS A 69 24.952 -14.509 1.961 1.00 35.46 N ATOM 497 N LEU A 70 23.016 -18.539 9.029 1.00 12.84 N ATOM 498 CA LEU A 70 22.103 -18.727 10.160 1.00 14.01 C ATOM 499 C LEU A 70 22.837 -19.039 11.476 1.00 19.60 C ATOM 500 O LEU A 70 22.185 -19.245 12.490 1.00 22.80 O ATOM 501 CB LEU A 70 21.074 -19.845 9.896 1.00 13.88 C ATOM 502 CG LEU A 70 20.208 -19.631 8.647 1.00 17.83 C ATOM 503 CD1 LEU A 70 19.477 -20.930 8.274 1.00 19.18 C ATOM 504 CD2 LEU A 70 19.236 -18.433 8.865 1.00 14.54 C ATOM 505 N ASP A 71 24.173 -19.051 11.454 1.00 15.48 N ATOM 506 CA ASP A 71 25.000 -19.314 12.663 1.00 15.19 C ATOM 507 C ASP A 71 24.557 -18.418 13.830 1.00 20.94 C ATOM 508 O ASP A 71 24.492 -18.858 14.990 1.00 22.15 O ATOM 509 CB ASP A 71 26.476 -19.042 12.348 1.00 15.86 C ATOM 510 CG ASP A 71 27.186 -20.252 11.709 1.00 30.34 C ATOM 511 OD1 ASP A 71 26.527 -21.288 11.446 1.00 31.70 O ATOM 512 OD2 ASP A 71 28.426 -20.192 11.567 1.00 35.57 O ATOM 513 N SER A 72 24.232 -17.173 13.482 1.00 15.04 N ATOM 514 CA SER A 72 23.810 -16.115 14.399 1.00 16.61 C ATOM 515 C SER A 72 22.334 -16.127 14.865 1.00 24.24 C ATOM 516 O SER A 72 21.864 -15.186 15.518 1.00 23.34 O ATOM 517 CB SER A 72 24.110 -14.765 13.729 1.00 20.45 C ATOM 518 OG SER A 72 23.561 -14.741 12.403 1.00 22.67 O ATOM 519 N GLY A 73 21.582 -17.154 14.503 1.00 20.42 N ATOM 520 CA GLY A 73 20.201 -17.244 14.932 1.00 19.96 C ATOM 521 C GLY A 73 19.487 -18.090 13.900 1.00 21.32 C ATOM 522 O GLY A 73 19.409 -17.682 12.741 1.00 18.32 O ATOM 523 N LYS A 74 19.056 -19.294 14.285 1.00 15.40 N ATOM 524 CA LYS A 74 18.470 -20.205 13.304 1.00 15.18 C ATOM 525 C LYS A 74 16.976 -20.005 13.097 1.00 16.57 C ATOM 526 O LYS A 74 16.425 -20.444 12.109 1.00 16.83 O ATOM 527 CB LYS A 74 18.763 -21.669 13.686 1.00 18.82 C ATOM 528 CG LYS A 74 20.291 -21.917 13.785 1.00 26.65 C ATOM 529 CD LYS A 74 20.747 -23.170 13.095 1.00 34.09 C ATOM 530 CE LYS A 74 22.279 -23.195 13.020 1.00 41.09 C ATOM 531 NZ LYS A 74 22.908 -22.744 14.279 1.00 43.02 N ATOM 532 N GLU A 75 16.316 -19.358 14.060 1.00 12.90 N ATOM 533 CA GLU A 75 14.885 -19.222 14.016 1.00 13.82 C ATOM 534 C GLU A 75 14.479 -17.888 13.389 1.00 19.87 C ATOM 535 O GLU A 75 14.953 -16.838 13.816 1.00 19.16 O ATOM 536 CB GLU A 75 14.304 -19.342 15.444 1.00 15.58 C ATOM 537 CG GLU A 75 12.819 -19.067 15.508 1.00 28.82 C ATOM 538 CD GLU A 75 11.973 -20.316 15.525 1.00 64.49 C ATOM 539 OE1 GLU A 75 11.616 -20.799 14.433 1.00 59.76 O ATOM 540 OE2 GLU A 75 11.575 -20.748 16.630 1.00 67.44 O ATOM 541 N LEU A 76 13.593 -17.959 12.392 1.00 14.55 N ATOM 542 CA LEU A 76 13.119 -16.779 11.672 1.00 13.35 C ATOM 543 C LEU A 76 11.738 -16.459 12.203 1.00 15.59 C ATOM 544 O LEU A 76 10.786 -17.204 11.953 1.00 15.51 O ATOM 545 CB LEU A 76 13.069 -17.084 10.171 1.00 12.36 C ATOM 546 CG LEU A 76 14.423 -17.436 9.541 1.00 17.20 C ATOM 547 CD1 LEU A 76 14.353 -17.396 7.981 1.00 17.12 C ATOM 548 CD2 LEU A 76 15.457 -16.393 10.006 1.00 14.72 C ATOM 549 N HIS A 77 11.642 -15.412 13.026 1.00 12.21 N ATOM 550 CA HIS A 77 10.369 -15.058 13.609 1.00 11.82 C ATOM 551 C HIS A 77 10.249 -13.603 14.039 1.00 14.12 C ATOM 552 O HIS A 77 11.217 -12.887 13.960 1.00 13.12 O ATOM 553 CB HIS A 77 10.000 -16.002 14.754 1.00 13.80 C ATOM 554 CG HIS A 77 10.802 -15.826 15.999 1.00 19.68 C ATOM 555 ND1 HIS A 77 12.164 -15.609 15.998 1.00 23.13 N ATOM 556 CD2 HIS A 77 10.459 -16.024 17.297 1.00 22.85 C ATOM 557 CE1 HIS A 77 12.609 -15.567 17.242 1.00 22.78 C ATOM 558 NE2 HIS A 77 11.597 -15.825 18.050 1.00 24.46 N ATOM 559 N ILE A 78 9.051 -13.183 14.472 1.00 12.81 N ATOM 560 CA ILE A 78 8.814 -11.803 14.924 1.00 11.52 C ATOM 561 C ILE A 78 8.183 -11.862 16.298 1.00 15.78 C ATOM 562 O ILE A 78 7.257 -12.670 16.505 1.00 15.88 O ATOM 563 CB ILE A 78 7.824 -11.092 13.935 1.00 12.61 C ATOM 564 CG1 ILE A 78 8.401 -11.001 12.521 1.00 13.21 C ATOM 565 CG2 ILE A 78 7.403 -9.696 14.434 1.00 11.97 C ATOM 566 CD1 ILE A 78 7.350 -10.642 11.492 1.00 12.92 C ATOM 567 N ASN A 79 8.609 -10.988 17.214 1.00 12.43 N ATOM 568 CA ASN A 79 7.993 -10.921 18.537 1.00 11.73 C ATOM 569 C ASN A 79 7.471 -9.515 18.719 1.00 13.95 C ATOM 570 O ASN A 79 8.155 -8.564 18.351 1.00 12.63 O ATOM 571 CB ASN A 79 9.014 -11.178 19.652 1.00 14.26 C ATOM 572 CG ASN A 79 9.516 -12.609 19.673 1.00 17.75 C ATOM 573 OD1 ASN A 79 8.836 -13.505 19.239 1.00 18.94 O ATOM 574 ND2 ASN A 79 10.715 -12.804 20.168 1.00 18.53 N ATOM 575 N LEU A 80 6.282 -9.382 19.300 1.00 12.03 N ATOM 576 CA LEU A 80 5.733 -8.037 19.576 1.00 12.68 C ATOM 577 C LEU A 80 5.664 -7.951 21.082 1.00 14.96 C ATOM 578 O LEU A 80 5.062 -8.806 21.731 1.00 12.31 O ATOM 579 CB LEU A 80 4.317 -7.857 19.009 1.00 13.67 C ATOM 580 CG LEU A 80 4.120 -8.179 17.528 1.00 17.66 C ATOM 581 CD1 LEU A 80 2.632 -7.857 17.161 1.00 16.70 C ATOM 582 CD2 LEU A 80 5.065 -7.299 16.716 1.00 20.54 C ATOM 583 N ILE A 81 6.194 -6.855 21.622 1.00 11.96 N ATOM 584 CA ILE A 81 6.354 -6.710 23.033 1.00 11.58 C ATOM 585 C ILE A 81 5.852 -5.408 23.589 1.00 12.38 C ATOM 586 O ILE A 81 6.572 -4.412 23.618 1.00 13.91 O ATOM 587 CB ILE A 81 7.857 -6.881 23.410 1.00 15.52 C ATOM 588 CG1 ILE A 81 8.431 -8.128 22.723 1.00 15.96 C ATOM 589 CG2 ILE A 81 7.999 -6.984 24.943 1.00 17.47 C ATOM 590 CD1 ILE A 81 9.917 -8.259 22.883 1.00 22.88 C ATOM 591 N PRO A 82 4.608 -5.387 24.021 1.00 11.93 N ATOM 592 CA PRO A 82 4.191 -4.143 24.657 1.00 11.08 C ATOM 593 C PRO A 82 4.642 -4.139 26.102 1.00 17.50 C ATOM 594 O PRO A 82 4.692 -5.190 26.774 1.00 19.34 O ATOM 595 CB PRO A 82 2.671 -4.170 24.557 1.00 14.10 C ATOM 596 CG PRO A 82 2.303 -5.634 24.443 1.00 19.48 C ATOM 597 CD PRO A 82 3.519 -6.387 23.957 1.00 15.72 C ATOM 598 N ASN A 83 5.027 -2.968 26.590 1.00 12.86 N ATOM 599 CA ASN A 83 5.495 -2.902 27.980 1.00 13.50 C ATOM 600 C ASN A 83 4.835 -1.711 28.637 1.00 16.94 C ATOM 601 O ASN A 83 5.192 -0.575 28.383 1.00 15.70 O ATOM 602 CB ASN A 83 7.023 -2.788 28.031 1.00 15.93 C ATOM 603 CG ASN A 83 7.567 -2.752 29.452 1.00 25.60 C ATOM 604 OD1 ASN A 83 6.819 -2.571 30.415 1.00 28.60 O ATOM 605 ND2 ASN A 83 8.870 -2.956 29.589 1.00 23.36 N ATOM 606 N LYS A 84 3.839 -1.989 29.471 1.00 16.84 N ATOM 607 CA LYS A 84 3.139 -0.928 30.163 1.00 18.63 C ATOM 608 C LYS A 84 3.971 -0.205 31.210 1.00 20.98 C ATOM 609 O LYS A 84 3.586 0.875 31.661 1.00 22.40 O ATOM 610 CB LYS A 84 1.880 -1.492 30.797 1.00 20.84 C ATOM 611 CG LYS A 84 0.855 -1.893 29.771 1.00 25.34 C ATOM 612 CD LYS A 84 -0.406 -2.454 30.442 1.00 36.11 C ATOM 613 CE LYS A 84 -1.409 -2.899 29.384 1.00 47.29 C ATOM 614 NZ LYS A 84 -2.769 -3.151 29.936 1.00 63.02 N ATOM 615 N GLN A 85 5.062 -0.816 31.655 1.00 19.61 N ATOM 616 CA GLN A 85 5.916 -0.183 32.670 1.00 19.50 C ATOM 617 C GLN A 85 6.540 1.073 32.134 1.00 22.02 C ATOM 618 O GLN A 85 6.554 2.108 32.804 1.00 20.95 O ATOM 619 CB GLN A 85 7.049 -1.125 33.127 1.00 20.64 C ATOM 620 CG GLN A 85 6.563 -2.372 33.906 1.00 27.06 C ATOM 621 CD GLN A 85 7.677 -3.390 34.230 1.00 41.91 C ATOM 622 OE1 GLN A 85 7.398 -4.520 34.657 1.00 31.81 O ATOM 623 NE2 GLN A 85 8.927 -2.983 34.065 1.00 28.21 N ATOM 624 N ASP A 86 7.073 0.987 30.918 1.00 17.65 N ATOM 625 CA ASP A 86 7.726 2.144 30.312 1.00 17.11 C ATOM 626 C ASP A 86 7.051 2.680 29.044 1.00 17.00 C ATOM 627 O ASP A 86 7.605 3.552 28.377 1.00 18.81 O ATOM 628 CB ASP A 86 9.231 1.907 30.126 1.00 19.94 C ATOM 629 CG ASP A 86 9.520 0.823 29.123 1.00 20.34 C ATOM 630 OD1 ASP A 86 8.533 0.289 28.608 1.00 22.29 O ATOM 631 OD2 ASP A 86 10.706 0.541 28.841 1.00 28.38 O ATOM 632 N ARG A 87 5.807 2.261 28.790 1.00 14.59 N ATOM 633 CA ARG A 87 5.008 2.766 27.689 1.00 13.74 C ATOM 634 C ARG A 87 5.761 2.612 26.381 1.00 16.01 C ATOM 635 O ARG A 87 5.802 3.530 25.565 1.00 16.04 O ATOM 636 CB ARG A 87 4.676 4.254 27.907 1.00 18.34 C ATOM 637 CG ARG A 87 3.259 4.624 27.554 1.00 32.04 C ATOM 638 CD ARG A 87 2.884 5.980 28.144 1.00 43.07 C ATOM 639 NE ARG A 87 3.477 7.064 27.371 1.00 50.60 N ATOM 640 CZ ARG A 87 3.516 8.329 27.771 1.00 65.48 C ATOM 641 NH1 ARG A 87 2.981 8.676 28.939 1.00 50.29 N ATOM 642 NH2 ARG A 87 4.082 9.246 26.995 1.00 46.57 N ATOM 643 N THR A 88 6.343 1.434 26.193 1.00 11.99 N ATOM 644 CA THR A 88 6.977 1.105 24.929 1.00 12.31 C ATOM 645 C THR A 88 6.280 -0.054 24.245 1.00 14.07 C ATOM 646 O THR A 88 5.701 -0.933 24.888 1.00 14.73 O ATOM 647 CB THR A 88 8.492 0.736 25.088 1.00 18.13 C ATOM 648 OG1 THR A 88 8.619 -0.388 25.973 1.00 16.22 O ATOM 649 CG2 THR A 88 9.296 1.922 25.561 1.00 15.93 C ATOM 650 N LEU A 89 6.443 -0.109 22.929 1.00 10.95 N ATOM 651 CA LEU A 89 5.997 -1.238 22.123 1.00 10.93 C ATOM 652 C LEU A 89 7.212 -1.569 21.288 1.00 14.19 C ATOM 653 O LEU A 89 7.716 -0.700 20.550 1.00 12.41 O ATOM 654 CB LEU A 89 4.857 -0.856 21.201 1.00 11.32 C ATOM 655 CG LEU A 89 4.477 -2.006 20.254 1.00 14.61 C ATOM 656 CD1 LEU A 89 4.160 -3.270 21.082 1.00 14.20 C ATOM 657 CD2 LEU A 89 3.303 -1.593 19.397 1.00 17.81 C ATOM 658 N THR A 90 7.711 -2.801 21.450 1.00 11.35 N ATOM 659 CA THR A 90 8.908 -3.220 20.736 1.00 11.02 C ATOM 660 C THR A 90 8.544 -4.312 19.729 1.00 14.63 C ATOM 661 O THR A 90 7.738 -5.197 20.044 1.00 12.02 O ATOM 662 CB THR A 90 9.948 -3.758 21.759 1.00 16.45 C ATOM 663 OG1 THR A 90 10.272 -2.724 22.696 1.00 15.99 O ATOM 664 CG2 THR A 90 11.201 -4.226 21.065 1.00 14.61 C ATOM 665 N ILE A 91 9.121 -4.221 18.530 1.00 11.48 N ATOM 666 CA ILE A 91 8.942 -5.258 17.520 1.00 11.97 C ATOM 667 C ILE A 91 10.335 -5.833 17.299 1.00 15.09 C ATOM 668 O ILE A 91 11.229 -5.107 16.892 1.00 13.10 O ATOM 669 CB ILE A 91 8.380 -4.685 16.201 1.00 15.89 C ATOM 670 CG1 ILE A 91 6.947 -4.165 16.430 1.00 20.48 C ATOM 671 CG2 ILE A 91 8.372 -5.793 15.147 1.00 16.55 C ATOM 672 CD1 ILE A 91 6.892 -2.788 17.035 1.00 32.06 C ATOM 673 N VAL A 92 10.495 -7.147 17.480 1.00 11.43 N ATOM 674 CA VAL A 92 11.813 -7.779 17.295 1.00 9.86 C ATOM 675 C VAL A 92 11.732 -8.798 16.179 1.00 13.65 C ATOM 676 O VAL A 92 10.805 -9.628 16.174 1.00 12.57 O ATOM 677 CB VAL A 92 12.243 -8.599 18.589 1.00 15.52 C ATOM 678 CG1 VAL A 92 13.578 -9.242 18.345 1.00 17.41 C ATOM 679 CG2 VAL A 92 12.297 -7.761 19.822 1.00 16.36 C ATOM 680 N ASP A 93 12.725 -8.814 15.282 1.00 10.64 N ATOM 681 CA ASP A 93 12.729 -9.865 14.279 1.00 10.22 C ATOM 682 C ASP A 93 14.138 -10.406 14.175 1.00 13.78 C ATOM 683 O ASP A 93 15.094 -9.761 14.593 1.00 14.34 O ATOM 684 CB ASP A 93 12.219 -9.372 12.904 1.00 13.30 C ATOM 685 CG ASP A 93 13.168 -8.373 12.236 1.00 13.72 C ATOM 686 OD1 ASP A 93 14.312 -8.757 11.878 1.00 13.10 O ATOM 687 OD2 ASP A 93 12.773 -7.203 12.096 1.00 13.24 O ATOM 688 N THR A 94 14.245 -11.601 13.617 1.00 7.72 N ATOM 689 CA THR A 94 15.535 -12.243 13.428 1.00 9.46 C ATOM 690 C THR A 94 15.870 -12.227 11.935 1.00 11.39 C ATOM 691 O THR A 94 16.426 -13.195 11.385 1.00 10.10 O ATOM 692 CB THR A 94 15.567 -13.668 14.036 1.00 18.05 C ATOM 693 OG1 THR A 94 14.408 -14.393 13.578 1.00 11.58 O ATOM 694 CG2 THR A 94 15.519 -13.552 15.607 1.00 14.82 C ATOM 695 N GLY A 95 15.578 -11.096 11.282 1.00 9.23 N ATOM 696 CA GLY A 95 15.913 -10.973 9.867 1.00 8.89 C ATOM 697 C GLY A 95 17.403 -10.734 9.614 1.00 11.23 C ATOM 698 O GLY A 95 18.266 -10.903 10.503 1.00 10.80 O ATOM 699 N ILE A 96 17.714 -10.324 8.373 1.00 10.96 N ATOM 700 CA ILE A 96 19.078 -10.107 7.968 1.00 11.06 C ATOM 701 C ILE A 96 19.801 -8.962 8.691 1.00 12.60 C ATOM 702 O ILE A 96 21.022 -8.918 8.737 1.00 13.60 O ATOM 703 CB ILE A 96 19.151 -9.946 6.432 1.00 13.14 C ATOM 704 CG1 ILE A 96 20.598 -10.059 5.981 1.00 16.68 C ATOM 705 CG2 ILE A 96 18.514 -8.594 6.039 1.00 14.27 C ATOM 706 CD1 ILE A 96 20.746 -10.727 4.667 1.00 26.54 C ATOM 707 N GLY A 97 19.059 -8.042 9.296 1.00 10.56 N ATOM 708 CA GLY A 97 19.670 -6.953 10.026 1.00 10.16 C ATOM 709 C GLY A 97 20.235 -5.913 9.061 1.00 11.40 C ATOM 710 O GLY A 97 20.179 -6.079 7.840 1.00 11.46 O ATOM 711 N MET A 98 20.817 -4.860 9.613 1.00 9.75 N ATOM 712 CA MET A 98 21.369 -3.814 8.761 1.00 8.12 C ATOM 713 C MET A 98 22.816 -3.557 9.159 1.00 15.27 C ATOM 714 O MET A 98 23.148 -3.569 10.344 1.00 14.55 O ATOM 715 CB MET A 98 20.545 -2.529 9.023 1.00 10.70 C ATOM 716 CG MET A 98 19.221 -2.527 8.273 1.00 12.29 C ATOM 717 SD MET A 98 18.182 -1.104 8.699 1.00 15.45 S ATOM 718 CE MET A 98 17.755 -1.587 10.406 1.00 14.19 C ATOM 719 N THR A 99 23.641 -3.196 8.179 1.00 10.60 N ATOM 720 CA THR A 99 24.976 -2.757 8.447 1.00 12.59 C ATOM 721 C THR A 99 24.908 -1.273 8.834 1.00 14.48 C ATOM 722 O THR A 99 23.851 -0.618 8.813 1.00 14.61 O ATOM 723 CB THR A 99 25.834 -2.860 7.199 1.00 15.14 C ATOM 724 OG1 THR A 99 25.295 -1.970 6.197 1.00 15.04 O ATOM 725 CG2 THR A 99 25.807 -4.314 6.673 1.00 14.36 C ATOM 726 N LYS A 100 26.060 -0.721 9.164 1.00 11.44 N ATOM 727 CA LYS A 100 26.075 0.678 9.508 1.00 11.38 C ATOM 728 C LYS A 100 25.625 1.540 8.333 1.00 13.37 C ATOM 729 O LYS A 100 24.800 2.456 8.506 1.00 13.96 O ATOM 730 CB LYS A 100 27.489 1.098 9.892 1.00 14.47 C ATOM 731 CG LYS A 100 27.514 2.448 10.596 1.00 17.42 C ATOM 732 CD LYS A 100 28.999 2.771 10.805 1.00 24.99 C ATOM 733 CE LYS A 100 29.235 4.109 11.434 1.00 35.94 C ATOM 734 NZ LYS A 100 30.716 4.411 11.320 1.00 24.33 N ATOM 735 N ALA A 101 26.135 1.218 7.140 1.00 12.65 N ATOM 736 CA ALA A 101 25.785 1.977 5.938 1.00 12.47 C ATOM 737 C ALA A 101 24.294 1.813 5.682 1.00 14.87 C ATOM 738 O ALA A 101 23.617 2.782 5.360 1.00 14.31 O ATOM 739 CB ALA A 101 26.598 1.528 4.718 1.00 13.83 C ATOM 740 N ASP A 102 23.755 0.602 5.893 1.00 11.85 N ATOM 741 CA ASP A 102 22.297 0.392 5.656 1.00 11.69 C ATOM 742 C ASP A 102 21.481 1.297 6.605 1.00 15.19 C ATOM 743 O ASP A 102 20.459 1.894 6.189 1.00 13.55 O ATOM 744 CB ASP A 102 21.893 -1.049 5.907 1.00 14.62 C ATOM 745 CG ASP A 102 22.546 -2.035 4.935 1.00 19.30 C ATOM 746 OD1 ASP A 102 23.003 -1.591 3.836 1.00 18.18 O ATOM 747 OD2 ASP A 102 22.573 -3.263 5.269 1.00 19.83 O ATOM 748 N LEU A 103 21.872 1.378 7.880 1.00 14.75 N ATOM 749 CA LEU A 103 21.151 2.285 8.796 1.00 16.02 C ATOM 750 C LEU A 103 21.215 3.724 8.285 1.00 16.87 C ATOM 751 O LEU A 103 20.233 4.430 8.214 1.00 15.95 O ATOM 752 CB LEU A 103 21.748 2.278 10.210 1.00 16.56 C ATOM 753 CG LEU A 103 21.329 1.245 11.234 1.00 18.93 C ATOM 754 CD1 LEU A 103 22.082 1.561 12.509 1.00 16.89 C ATOM 755 CD2 LEU A 103 19.823 1.244 11.476 1.00 18.19 C ATOM 756 N ILE A 104 22.423 4.188 8.024 1.00 11.28 N ATOM 757 CA ILE A 104 22.641 5.564 7.595 1.00 11.19 C ATOM 758 C ILE A 104 21.883 5.913 6.304 1.00 13.45 C ATOM 759 O ILE A 104 21.330 6.995 6.200 1.00 16.35 O ATOM 760 CB ILE A 104 24.162 5.798 7.496 1.00 13.60 C ATOM 761 CG1 ILE A 104 24.757 5.931 8.905 1.00 14.65 C ATOM 762 CG2 ILE A 104 24.526 6.980 6.566 1.00 15.49 C ATOM 763 CD1 ILE A 104 26.258 5.712 8.930 1.00 21.53 C ATOM 764 N ASN A 105 21.896 5.000 5.313 1.00 10.41 N ATOM 765 CA ASN A 105 21.206 5.200 4.049 1.00 11.33 C ATOM 766 C ASN A 105 19.701 5.094 4.180 1.00 13.91 C ATOM 767 O ASN A 105 18.966 5.815 3.521 1.00 15.03 O ATOM 768 CB ASN A 105 21.681 4.164 2.954 1.00 9.34 C ATOM 769 CG ASN A 105 23.083 4.463 2.464 1.00 17.59 C ATOM 770 OD1 ASN A 105 23.480 5.636 2.398 1.00 18.26 O ATOM 771 ND2 ASN A 105 23.857 3.425 2.144 1.00 15.70 N ATOM 772 N ASN A 106 19.236 4.111 4.939 1.00 13.39 N ATOM 773 CA ASN A 106 17.797 3.852 5.003 1.00 13.60 C ATOM 774 C ASN A 106 17.061 4.688 6.021 1.00 16.49 C ATOM 775 O ASN A 106 15.848 4.882 5.904 1.00 16.67 O ATOM 776 CB ASN A 106 17.533 2.393 5.331 1.00 15.30 C ATOM 777 CG ASN A 106 17.653 1.507 4.133 1.00 30.81 C ATOM 778 OD1 ASN A 106 17.429 1.946 3.012 1.00 32.00 O ATOM 779 ND2 ASN A 106 18.011 0.240 4.358 1.00 36.38 N ATOM 780 N LEU A 107 17.777 5.107 7.054 1.00 12.70 N ATOM 781 CA LEU A 107 17.144 5.812 8.152 1.00 13.29 C ATOM 782 C LEU A 107 17.465 7.271 8.280 1.00 16.73 C ATOM 783 O LEU A 107 17.507 7.814 9.393 1.00 16.57 O ATOM 784 CB LEU A 107 17.329 5.039 9.470 1.00 12.73 C ATOM 785 CG LEU A 107 16.616 3.678 9.491 1.00 15.92 C ATOM 786 CD1 LEU A 107 16.592 3.059 10.893 1.00 15.96 C ATOM 787 CD2 LEU A 107 15.188 3.698 8.887 1.00 20.18 C ATOM 788 N GLY A 108 17.690 7.942 7.150 1.00 14.40 N ATOM 789 CA GLY A 108 17.657 9.381 7.221 1.00 16.04 C ATOM 790 C GLY A 108 18.616 10.306 6.531 1.00 18.71 C ATOM 791 O GLY A 108 18.334 11.483 6.382 1.00 17.98 O ATOM 792 N THR A 109 19.798 9.812 6.231 1.00 14.94 N ATOM 793 CA THR A 109 20.849 10.684 5.737 1.00 18.00 C ATOM 794 C THR A 109 20.673 11.130 4.276 1.00 24.03 C ATOM 795 O THR A 109 21.215 12.166 3.843 1.00 25.42 O ATOM 796 CB THR A 109 22.143 9.899 5.953 1.00 25.50 C ATOM 797 OG1 THR A 109 23.154 10.694 6.557 1.00 35.27 O ATOM 798 CG2 THR A 109 22.556 9.204 4.700 1.00 15.06 C ATOM 799 N ILE A 110 19.962 10.334 3.494 1.00 18.89 N ATOM 800 CA ILE A 110 19.793 10.650 2.094 1.00 18.68 C ATOM 801 C ILE A 110 18.333 10.713 1.701 1.00 22.68 C ATOM 802 O ILE A 110 17.457 10.145 2.364 1.00 22.43 O ATOM 803 CB ILE A 110 20.493 9.605 1.204 1.00 22.62 C ATOM 804 CG1 ILE A 110 19.855 8.234 1.406 1.00 21.72 C ATOM 805 CG2 ILE A 110 21.999 9.603 1.484 1.00 25.36 C ATOM 806 CD1 ILE A 110 20.535 7.144 0.582 1.00 24.15 C ATOM 807 N ALA A 111 18.087 11.370 0.575 1.00 19.51 N ATOM 808 CA ALA A 111 16.736 11.513 0.050 1.00 20.37 C ATOM 809 C ALA A 111 16.132 10.182 -0.314 1.00 24.70 C ATOM 810 O ALA A 111 16.836 9.287 -0.759 1.00 26.02 O ATOM 811 CB ALA A 111 16.752 12.424 -1.208 1.00 21.98 C ATOM 812 N LYS A 112 14.821 10.071 -0.151 1.00 19.81 N ATOM 813 CA LYS A 112 14.085 8.898 -0.582 1.00 19.88 C ATOM 814 C LYS A 112 13.226 9.411 -1.749 1.00 24.50 C ATOM 815 O LYS A 112 12.643 10.481 -1.662 1.00 24.72 O ATOM 816 CB LYS A 112 13.176 8.366 0.551 1.00 22.77 C ATOM 817 CG LYS A 112 13.925 7.561 1.670 1.00 27.23 C ATOM 818 CD LYS A 112 14.102 6.104 1.245 1.00 39.78 C ATOM 819 CE LYS A 112 15.206 5.368 2.032 1.00 44.97 C ATOM 820 NZ LYS A 112 16.613 5.494 1.454 1.00 33.35 N ATOM 821 N SER A 113 13.188 8.661 -2.838 1.00 22.07 N ATOM 822 CA SER A 113 12.439 9.023 -4.031 1.00 23.23 C ATOM 823 C SER A 113 11.010 9.520 -3.786 1.00 28.52 C ATOM 824 O SER A 113 10.514 10.407 -4.491 1.00 26.51 O ATOM 825 CB SER A 113 12.311 7.788 -4.941 1.00 26.64 C ATOM 826 OG SER A 113 13.548 7.140 -5.114 1.00 44.39 O ATOM 827 N GLY A 114 10.295 8.863 -2.882 1.00 25.23 N ATOM 828 CA GLY A 114 8.892 9.197 -2.737 1.00 25.10 C ATOM 829 C GLY A 114 8.513 10.258 -1.723 1.00 27.24 C ATOM 830 O GLY A 114 7.337 10.609 -1.594 1.00 24.85 O ATOM 831 N THR A 115 9.499 10.817 -1.044 1.00 22.22 N ATOM 832 CA THR A 115 9.190 11.783 0.008 1.00 20.94 C ATOM 833 C THR A 115 8.333 12.976 -0.402 1.00 22.72 C ATOM 834 O THR A 115 7.331 13.274 0.242 1.00 21.58 O ATOM 835 CB THR A 115 10.446 12.243 0.766 1.00 24.72 C ATOM 836 OG1 THR A 115 11.270 11.112 1.063 1.00 25.34 O ATOM 837 CG2 THR A 115 10.043 12.946 2.064 1.00 20.66 C ATOM 838 N LYS A 116 8.805 13.716 -1.398 1.00 19.65 N ATOM 839 CA LYS A 116 8.123 14.925 -1.833 1.00 19.00 C ATOM 840 C LYS A 116 6.705 14.617 -2.288 1.00 21.05 C ATOM 841 O LYS A 116 5.737 15.288 -1.893 1.00 21.25 O ATOM 842 CB LYS A 116 8.919 15.592 -2.964 1.00 21.52 C ATOM 843 CG LYS A 116 9.998 16.547 -2.468 1.00 37.95 C ATOM 844 CD LYS A 116 10.731 17.207 -3.630 1.00 46.42 C ATOM 845 CE LYS A 116 11.797 16.283 -4.198 1.00 57.73 C ATOM 846 NZ LYS A 116 12.676 16.988 -5.170 1.00 70.70 N ATOM 847 N ALA A 117 6.576 13.615 -3.143 1.00 19.33 N ATOM 848 CA ALA A 117 5.265 13.268 -3.655 1.00 20.05 C ATOM 849 C ALA A 117 4.354 12.835 -2.539 1.00 22.22 C ATOM 850 O ALA A 117 3.148 13.115 -2.547 1.00 24.34 O ATOM 851 CB ALA A 117 5.377 12.184 -4.707 1.00 21.42 C ATOM 852 N PHE A 118 4.917 12.164 -1.547 1.00 19.17 N ATOM 853 CA PHE A 118 4.101 11.710 -0.451 1.00 17.60 C ATOM 854 C PHE A 118 3.606 12.870 0.372 1.00 20.62 C ATOM 855 O PHE A 118 2.427 12.943 0.710 1.00 20.10 O ATOM 856 CB PHE A 118 4.781 10.657 0.405 1.00 19.17 C ATOM 857 CG PHE A 118 3.902 10.165 1.528 1.00 20.64 C ATOM 858 CD1 PHE A 118 2.605 9.735 1.252 1.00 23.53 C ATOM 859 CD2 PHE A 118 4.269 10.342 2.856 1.00 22.57 C ATOM 860 CE1 PHE A 118 1.751 9.333 2.278 1.00 23.39 C ATOM 861 CE2 PHE A 118 3.422 9.941 3.883 1.00 25.60 C ATOM 862 CZ PHE A 118 2.169 9.429 3.587 1.00 24.15 C ATOM 863 N MET A 119 4.471 13.850 0.606 1.00 19.10 N ATOM 864 CA MET A 119 4.052 15.029 1.352 1.00 17.59 C ATOM 865 C MET A 119 2.969 15.744 0.549 1.00 22.79 C ATOM 866 O MET A 119 1.991 16.204 1.116 1.00 20.58 O ATOM 867 CB MET A 119 5.239 15.949 1.590 1.00 19.06 C ATOM 868 CG MET A 119 6.266 15.327 2.503 1.00 22.34 C ATOM 869 SD MET A 119 7.397 16.526 3.157 1.00 27.08 S ATOM 870 CE MET A 119 8.322 16.838 1.668 1.00 23.43 C ATOM 871 N GLU A 120 3.144 15.827 -0.774 1.00 19.59 N ATOM 872 CA GLU A 120 2.134 16.501 -1.586 1.00 20.07 C ATOM 873 C GLU A 120 0.785 15.788 -1.509 1.00 24.27 C ATOM 874 O GLU A 120 -0.243 16.431 -1.450 1.00 25.73 O ATOM 875 CB GLU A 120 2.607 16.708 -3.041 1.00 20.88 C ATOM 876 CG GLU A 120 3.730 17.734 -3.132 1.00 28.26 C ATOM 877 CD GLU A 120 4.264 17.945 -4.533 1.00 44.88 C ATOM 878 OE1 GLU A 120 5.498 18.035 -4.679 1.00 35.33 O ATOM 879 OE2 GLU A 120 3.458 18.138 -5.467 1.00 29.99 O ATOM 880 N ALA A 121 0.805 14.461 -1.448 1.00 20.35 N ATOM 881 CA ALA A 121 -0.415 13.664 -1.309 1.00 20.82 C ATOM 882 C ALA A 121 -1.050 13.909 0.046 1.00 24.37 C ATOM 883 O ALA A 121 -2.267 14.049 0.153 1.00 21.76 O ATOM 884 CB ALA A 121 -0.090 12.217 -1.452 1.00 21.77 C ATOM 885 N LEU A 122 -0.231 13.965 1.093 1.00 20.73 N ATOM 886 CA LEU A 122 -0.771 14.196 2.430 1.00 22.92 C ATOM 887 C LEU A 122 -1.441 15.545 2.454 1.00 30.23 C ATOM 888 O LEU A 122 -2.586 15.692 2.901 1.00 29.68 O ATOM 889 CB LEU A 122 0.334 14.154 3.469 1.00 23.89 C ATOM 890 CG LEU A 122 0.787 12.754 3.848 1.00 27.42 C ATOM 891 CD1 LEU A 122 1.846 12.916 4.967 1.00 26.47 C ATOM 892 CD2 LEU A 122 -0.393 11.901 4.329 1.00 25.55 C ATOM 893 N GLN A 123 -0.736 16.523 1.915 1.00 28.92 N ATOM 894 CA GLN A 123 -1.242 17.883 1.858 1.00 30.05 C ATOM 895 C GLN A 123 -2.576 17.992 1.118 1.00 36.66 C ATOM 896 O GLN A 123 -3.388 18.857 1.442 1.00 37.79 O ATOM 897 CB GLN A 123 -0.161 18.832 1.318 1.00 31.28 C ATOM 898 CG GLN A 123 1.019 18.942 2.304 1.00 32.96 C ATOM 899 CD GLN A 123 2.241 19.646 1.733 1.00 56.61 C ATOM 900 OE1 GLN A 123 2.901 20.425 2.426 1.00 53.80 O ATOM 901 NE2 GLN A 123 2.594 19.314 0.495 1.00 48.10 N ATOM 902 N ALA A 124 -2.840 17.039 0.221 1.00 33.68 N ATOM 903 CA ALA A 124 -4.091 16.970 -0.528 1.00 34.42 C ATOM 904 C ALA A 124 -5.152 16.172 0.224 1.00 41.83 C ATOM 905 O ALA A 124 -6.277 16.008 -0.263 1.00 42.45 O ATOM 906 CB ALA A 124 -3.855 16.347 -1.891 1.00 34.81 C ATOM 907 N GLY A 125 -4.792 15.634 1.387 1.00 37.74 N ATOM 908 CA GLY A 125 -5.745 14.866 2.166 1.00 36.26 C ATOM 909 C GLY A 125 -5.657 13.357 2.024 1.00 37.25 C ATOM 910 O GLY A 125 -6.574 12.638 2.424 1.00 37.61 O ATOM 911 N ALA A 126 -4.554 12.861 1.469 1.00 30.10 N ATOM 912 CA ALA A 126 -4.393 11.426 1.331 1.00 28.02 C ATOM 913 C ALA A 126 -4.427 10.812 2.733 1.00 28.17 C ATOM 914 O ALA A 126 -4.161 11.489 3.738 1.00 26.80 O ATOM 915 CB ALA A 126 -3.061 11.097 0.643 1.00 28.70 C ATOM 916 N ASP A 127 -4.750 9.529 2.797 1.00 24.03 N ATOM 917 CA ASP A 127 -4.743 8.863 4.071 1.00 24.21 C ATOM 918 C ASP A 127 -3.306 8.467 4.357 1.00 25.78 C ATOM 919 O ASP A 127 -2.557 8.091 3.445 1.00 25.28 O ATOM 920 CB ASP A 127 -5.620 7.630 4.077 1.00 27.13 C ATOM 921 CG ASP A 127 -5.871 7.120 5.489 1.00 35.74 C ATOM 922 OD1 ASP A 127 -6.640 7.780 6.266 1.00 34.21 O ATOM 923 OD2 ASP A 127 -5.258 6.082 5.813 1.00 35.15 O ATOM 924 N ILE A 128 -2.925 8.584 5.622 1.00 20.38 N ATOM 925 CA ILE A 128 -1.565 8.258 6.024 1.00 19.44 C ATOM 926 C ILE A 128 -1.182 6.826 5.607 1.00 19.51 C ATOM 927 O ILE A 128 -0.006 6.513 5.426 1.00 16.34 O ATOM 928 CB ILE A 128 -1.371 8.497 7.534 1.00 21.80 C ATOM 929 CG1 ILE A 128 0.126 8.560 7.880 1.00 22.17 C ATOM 930 CG2 ILE A 128 -2.100 7.421 8.329 1.00 23.27 C ATOM 931 CD1 ILE A 128 0.817 9.861 7.471 1.00 25.31 C ATOM 932 N SER A 129 -2.181 5.957 5.454 1.00 21.38 N ATOM 933 CA SER A 129 -1.942 4.578 5.042 1.00 21.77 C ATOM 934 C SER A 129 -1.127 4.410 3.746 1.00 23.34 C ATOM 935 O SER A 129 -0.510 3.377 3.525 1.00 22.73 O ATOM 936 CB SER A 129 -3.272 3.825 4.938 1.00 28.31 C ATOM 937 OG SER A 129 -3.052 2.487 4.509 1.00 43.74 O ATOM 938 N MET A 130 -1.115 5.434 2.903 1.00 23.13 N ATOM 939 CA MET A 130 -0.373 5.399 1.633 1.00 24.69 C ATOM 940 C MET A 130 1.134 5.452 1.840 1.00 24.33 C ATOM 941 O MET A 130 1.932 5.159 0.927 1.00 24.37 O ATOM 942 CB MET A 130 -0.801 6.606 0.782 1.00 29.03 C ATOM 943 CG MET A 130 -2.214 6.482 0.252 1.00 35.81 C ATOM 944 SD MET A 130 -2.246 4.970 -0.710 1.00 42.20 S ATOM 945 CE MET A 130 -1.226 5.523 -2.151 1.00 38.51 C ATOM 946 N ILE A 131 1.534 5.821 3.048 1.00 20.12 N ATOM 947 CA ILE A 131 2.964 6.005 3.359 1.00 18.31 C ATOM 948 C ILE A 131 3.888 4.886 2.885 1.00 22.09 C ATOM 949 O ILE A 131 5.016 5.139 2.450 1.00 22.08 O ATOM 950 CB ILE A 131 3.164 6.323 4.866 1.00 18.90 C ATOM 951 CG1 ILE A 131 4.622 6.755 5.154 1.00 20.36 C ATOM 952 CG2 ILE A 131 2.834 5.110 5.686 1.00 16.60 C ATOM 953 CD1 ILE A 131 4.813 7.471 6.492 1.00 17.99 C ATOM 954 N GLY A 132 3.463 3.647 3.084 1.00 20.70 N ATOM 955 CA GLY A 132 4.282 2.500 2.720 1.00 20.23 C ATOM 956 C GLY A 132 4.599 2.465 1.229 1.00 23.01 C ATOM 957 O GLY A 132 5.735 2.217 0.835 1.00 21.90 O ATOM 958 N GLN A 133 3.586 2.677 0.394 1.00 20.19 N ATOM 959 CA GLN A 133 3.848 2.669 -1.048 1.00 21.08 C ATOM 960 C GLN A 133 4.918 3.656 -1.463 1.00 24.31 C ATOM 961 O GLN A 133 5.563 3.484 -2.516 1.00 23.67 O ATOM 962 CB GLN A 133 2.567 2.985 -1.804 1.00 22.68 C ATOM 963 CG GLN A 133 1.474 1.981 -1.600 1.00 27.50 C ATOM 964 CD GLN A 133 0.143 2.515 -2.075 1.00 51.11 C ATOM 965 OE1 GLN A 133 0.040 3.035 -3.180 1.00 45.55 O ATOM 966 NE2 GLN A 133 -0.856 2.485 -1.203 1.00 46.27 N ATOM 967 N PHE A 134 5.007 4.769 -0.731 1.00 21.11 N ATOM 968 CA PHE A 134 5.947 5.829 -1.084 1.00 20.39 C ATOM 969 C PHE A 134 7.375 5.587 -0.620 1.00 25.35 C ATOM 970 O PHE A 134 8.241 6.427 -0.845 1.00 27.14 O ATOM 971 CB PHE A 134 5.453 7.197 -0.625 1.00 21.91 C ATOM 972 CG PHE A 134 4.305 7.734 -1.426 1.00 22.25 C ATOM 973 CD1 PHE A 134 3.006 7.444 -1.074 1.00 25.23 C ATOM 974 CD2 PHE A 134 4.542 8.613 -2.498 1.00 25.82 C ATOM 975 CE1 PHE A 134 1.943 7.996 -1.775 1.00 25.78 C ATOM 976 CE2 PHE A 134 3.498 9.176 -3.193 1.00 27.12 C ATOM 977 CZ PHE A 134 2.207 8.863 -2.856 1.00 25.92 C ATOM 978 N GLY A 135 7.620 4.449 0.028 1.00 19.19 N ATOM 979 CA GLY A 135 8.962 4.068 0.436 1.00 19.37 C ATOM 980 C GLY A 135 9.416 4.697 1.739 1.00 21.45 C ATOM 981 O GLY A 135 10.544 4.473 2.169 1.00 21.18 O ATOM 982 N VAL A 136 8.535 5.458 2.377 1.00 19.90 N ATOM 983 CA VAL A 136 8.881 6.110 3.649 1.00 19.41 C ATOM 984 C VAL A 136 8.092 5.513 4.808 1.00 20.62 C ATOM 985 O VAL A 136 7.852 6.208 5.800 1.00 17.65 O ATOM 986 CB VAL A 136 8.724 7.668 3.575 1.00 22.46 C ATOM 987 CG1 VAL A 136 9.900 8.270 2.785 1.00 22.08 C ATOM 988 CG2 VAL A 136 7.431 8.047 2.876 1.00 21.81 C ATOM 989 N GLY A 137 7.690 4.245 4.684 1.00 17.58 N ATOM 990 CA GLY A 137 6.871 3.599 5.715 1.00 16.46 C ATOM 991 C GLY A 137 7.435 3.632 7.122 1.00 15.38 C ATOM 992 O GLY A 137 6.685 3.727 8.104 1.00 14.33 O ATOM 993 N PHE A 138 8.760 3.565 7.252 1.00 12.04 N ATOM 994 CA PHE A 138 9.348 3.531 8.613 1.00 12.22 C ATOM 995 C PHE A 138 8.874 4.734 9.461 1.00 10.10 C ATOM 996 O PHE A 138 8.594 4.606 10.646 1.00 11.66 O ATOM 997 CB PHE A 138 10.881 3.574 8.490 1.00 14.93 C ATOM 998 CG PHE A 138 11.552 3.906 9.779 1.00 15.45 C ATOM 999 CD1 PHE A 138 11.487 3.005 10.843 1.00 17.40 C ATOM 1000 CD2 PHE A 138 12.100 5.157 9.989 1.00 15.53 C ATOM 1001 CE1 PHE A 138 12.026 3.340 12.080 1.00 17.69 C ATOM 1002 CE2 PHE A 138 12.671 5.479 11.212 1.00 15.05 C ATOM 1003 CZ PHE A 138 12.607 4.583 12.256 1.00 14.28 C ATOM 1004 N TYR A 139 8.793 5.891 8.817 1.00 9.11 N ATOM 1005 CA TYR A 139 8.445 7.140 9.511 1.00 8.88 C ATOM 1006 C TYR A 139 7.060 7.183 10.098 1.00 11.12 C ATOM 1007 O TYR A 139 6.767 8.015 10.967 1.00 12.08 O ATOM 1008 CB TYR A 139 8.740 8.339 8.592 1.00 9.01 C ATOM 1009 CG TYR A 139 10.245 8.434 8.318 1.00 10.90 C ATOM 1010 CD1 TYR A 139 11.140 8.819 9.314 1.00 12.55 C ATOM 1011 CD2 TYR A 139 10.766 7.982 7.108 1.00 12.38 C ATOM 1012 CE1 TYR A 139 12.559 8.822 9.063 1.00 13.38 C ATOM 1013 CE2 TYR A 139 12.132 8.017 6.831 1.00 12.73 C ATOM 1014 CZ TYR A 139 13.024 8.444 7.807 1.00 13.76 C ATOM 1015 OH TYR A 139 14.391 8.317 7.574 1.00 14.85 O ATOM 1016 N SER A 140 6.217 6.236 9.698 1.00 11.75 N ATOM 1017 CA SER A 140 4.894 6.085 10.318 1.00 13.35 C ATOM 1018 C SER A 140 5.009 5.803 11.825 1.00 13.52 C ATOM 1019 O SER A 140 4.061 6.098 12.614 1.00 13.01 O ATOM 1020 CB SER A 140 4.112 4.934 9.642 1.00 14.41 C ATOM 1021 OG SER A 140 4.707 3.688 9.931 1.00 11.28 O ATOM 1022 N ALA A 141 6.201 5.364 12.269 1.00 10.64 N ATOM 1023 CA ALA A 141 6.382 5.110 13.680 1.00 11.53 C ATOM 1024 C ALA A 141 6.120 6.421 14.443 1.00 12.53 C ATOM 1025 O ALA A 141 5.669 6.393 15.584 1.00 13.27 O ATOM 1026 CB ALA A 141 7.788 4.582 14.005 1.00 11.20 C ATOM 1027 N TYR A 142 6.460 7.547 13.831 1.00 13.00 N ATOM 1028 CA TYR A 142 6.279 8.846 14.486 1.00 11.23 C ATOM 1029 C TYR A 142 4.837 9.356 14.622 1.00 13.78 C ATOM 1030 O TYR A 142 4.554 10.388 15.272 1.00 13.29 O ATOM 1031 CB TYR A 142 7.223 9.903 13.922 1.00 10.06 C ATOM 1032 CG TYR A 142 8.669 9.597 14.261 1.00 9.05 C ATOM 1033 CD1 TYR A 142 9.194 9.989 15.484 1.00 12.12 C ATOM 1034 CD2 TYR A 142 9.428 8.761 13.449 1.00 10.94 C ATOM 1035 CE1 TYR A 142 10.505 9.686 15.851 1.00 11.01 C ATOM 1036 CE2 TYR A 142 10.740 8.390 13.821 1.00 12.79 C ATOM 1037 CZ TYR A 142 11.235 8.819 15.041 1.00 13.07 C ATOM 1038 OH TYR A 142 12.515 8.494 15.397 1.00 13.98 O ATOM 1039 N LEU A 143 3.918 8.595 14.061 1.00 12.24 N ATOM 1040 CA LEU A 143 2.500 8.887 14.220 1.00 11.48 C ATOM 1041 C LEU A 143 2.137 8.563 15.652 1.00 15.31 C ATOM 1042 O LEU A 143 1.278 9.228 16.220 1.00 14.83 O ATOM 1043 CB LEU A 143 1.676 7.959 13.316 1.00 11.16 C ATOM 1044 CG LEU A 143 1.787 8.260 11.821 1.00 14.47 C ATOM 1045 CD1 LEU A 143 1.108 7.099 11.052 1.00 15.66 C ATOM 1046 CD2 LEU A 143 1.165 9.602 11.436 1.00 14.07 C ATOM 1047 N VAL A 144 2.801 7.552 16.222 1.00 10.48 N ATOM 1048 CA VAL A 144 2.475 7.092 17.586 1.00 8.84 C ATOM 1049 C VAL A 144 3.582 7.227 18.650 1.00 13.32 C ATOM 1050 O VAL A 144 3.297 7.109 19.849 1.00 13.45 O ATOM 1051 CB VAL A 144 1.964 5.623 17.587 1.00 13.19 C ATOM 1052 CG1 VAL A 144 0.672 5.472 16.684 1.00 12.63 C ATOM 1053 CG2 VAL A 144 3.087 4.710 17.074 1.00 13.90 C ATOM 1054 N ALA A 145 4.827 7.377 18.216 1.00 12.23 N ATOM 1055 CA ALA A 145 5.957 7.405 19.145 1.00 11.67 C ATOM 1056 C ALA A 145 6.659 8.749 19.182 1.00 15.17 C ATOM 1057 O ALA A 145 6.790 9.409 18.128 1.00 14.30 O ATOM 1058 CB ALA A 145 6.962 6.327 18.695 1.00 11.47 C ATOM 1059 N GLU A 146 7.072 9.182 20.374 1.00 13.81 N ATOM 1060 CA GLU A 146 7.845 10.406 20.507 1.00 14.08 C ATOM 1061 C GLU A 146 9.328 10.154 20.394 1.00 15.86 C ATOM 1062 O GLU A 146 10.109 11.096 20.143 1.00 16.89 O ATOM 1063 CB GLU A 146 7.562 11.127 21.821 1.00 16.38 C ATOM 1064 CG GLU A 146 7.418 10.188 22.986 1.00 21.57 C ATOM 1065 CD GLU A 146 6.898 10.911 24.219 1.00 41.20 C ATOM 1066 OE1 GLU A 146 6.335 12.015 24.076 1.00 38.30 O ATOM 1067 OE2 GLU A 146 7.042 10.370 25.327 1.00 30.88 O ATOM 1068 N LYS A 147 9.710 8.890 20.518 1.00 11.44 N ATOM 1069 CA LYS A 147 11.101 8.504 20.324 1.00 11.10 C ATOM 1070 C LYS A 147 11.113 7.095 19.791 1.00 11.19 C ATOM 1071 O LYS A 147 10.288 6.264 20.211 1.00 11.97 O ATOM 1072 CB LYS A 147 11.852 8.582 21.637 1.00 11.41 C ATOM 1073 CG LYS A 147 13.286 8.161 21.560 1.00 15.30 C ATOM 1074 CD LYS A 147 13.980 8.420 22.880 1.00 25.79 C ATOM 1075 CE LYS A 147 15.221 7.535 23.034 1.00 44.92 C ATOM 1076 NZ LYS A 147 16.006 7.828 24.285 1.00 40.25 N ATOM 1077 N VAL A 148 12.040 6.804 18.879 1.00 10.13 N ATOM 1078 CA VAL A 148 12.152 5.468 18.302 1.00 9.22 C ATOM 1079 C VAL A 148 13.612 5.080 18.359 1.00 13.14 C ATOM 1080 O VAL A 148 14.473 5.913 18.073 1.00 12.47 O ATOM 1081 CB VAL A 148 11.651 5.430 16.833 1.00 13.06 C ATOM 1082 CG1 VAL A 148 11.912 4.034 16.175 1.00 12.78 C ATOM 1083 CG2 VAL A 148 10.169 5.861 16.747 1.00 13.72 C ATOM 1084 N THR A 149 13.870 3.856 18.799 1.00 10.69 N ATOM 1085 CA THR A 149 15.238 3.320 18.847 1.00 10.39 C ATOM 1086 C THR A 149 15.208 2.097 17.932 1.00 13.39 C ATOM 1087 O THR A 149 14.262 1.317 17.998 1.00 14.11 O ATOM 1088 CB THR A 149 15.600 2.885 20.274 1.00 13.32 C ATOM 1089 OG1 THR A 149 15.480 4.008 21.177 1.00 15.60 O ATOM 1090 CG2 THR A 149 17.051 2.337 20.338 1.00 16.49 C ATOM 1091 N VAL A 150 16.195 1.958 17.056 1.00 11.13 N ATOM 1092 CA VAL A 150 16.303 0.793 16.183 1.00 9.36 C ATOM 1093 C VAL A 150 17.674 0.162 16.508 1.00 12.99 C ATOM 1094 O VAL A 150 18.714 0.775 16.258 1.00 12.61 O ATOM 1095 CB VAL A 150 16.240 1.204 14.716 1.00 12.78 C ATOM 1096 CG1 VAL A 150 16.526 0.026 13.781 1.00 13.27 C ATOM 1097 CG2 VAL A 150 14.895 1.935 14.389 1.00 11.86 C ATOM 1098 N ILE A 151 17.651 -1.074 17.020 1.00 10.82 N ATOM 1099 CA ILE A 151 18.885 -1.822 17.371 1.00 8.02 C ATOM 1100 C ILE A 151 18.997 -2.870 16.265 1.00 12.93 C ATOM 1101 O ILE A 151 18.026 -3.561 15.982 1.00 11.59 O ATOM 1102 CB ILE A 151 18.786 -2.511 18.746 1.00 10.96 C ATOM 1103 CG1 ILE A 151 18.303 -1.537 19.859 1.00 13.55 C ATOM 1104 CG2 ILE A 151 20.138 -3.145 19.080 1.00 14.77 C ATOM 1105 CD1 ILE A 151 19.237 -0.393 20.059 1.00 26.59 C ATOM 1106 N THR A 152 20.154 -2.966 15.607 1.00 11.15 N ATOM 1107 CA THR A 152 20.269 -3.905 14.498 1.00 9.43 C ATOM 1108 C THR A 152 21.609 -4.624 14.499 1.00 12.53 C ATOM 1109 O THR A 152 22.622 -4.057 14.914 1.00 11.74 O ATOM 1110 CB THR A 152 19.975 -3.164 13.155 1.00 11.67 C ATOM 1111 OG1 THR A 152 19.808 -4.108 12.086 1.00 15.67 O ATOM 1112 CG2 THR A 152 21.097 -2.189 12.848 1.00 11.33 C ATOM 1113 N LYS A 153 21.617 -5.845 13.970 1.00 11.48 N ATOM 1114 CA LYS A 153 22.833 -6.632 13.885 1.00 10.89 C ATOM 1115 C LYS A 153 22.811 -7.473 12.629 1.00 14.36 C ATOM 1116 O LYS A 153 21.865 -8.234 12.393 1.00 12.10 O ATOM 1117 CB LYS A 153 22.990 -7.516 15.118 1.00 13.18 C ATOM 1118 CG LYS A 153 24.187 -8.488 15.020 1.00 17.47 C ATOM 1119 CD LYS A 153 25.515 -7.786 15.119 1.00 17.07 C ATOM 1120 CE LYS A 153 26.701 -8.817 15.216 1.00 16.02 C ATOM 1121 NZ LYS A 153 26.959 -9.498 13.910 1.00 17.25 N ATOM 1122 N HIS A 154 23.782 -7.215 11.765 1.00 11.89 N ATOM 1123 CA HIS A 154 23.951 -7.940 10.503 1.00 11.26 C ATOM 1124 C HIS A 154 25.221 -8.808 10.633 1.00 15.53 C ATOM 1125 O HIS A 154 26.185 -8.385 11.268 1.00 13.86 O ATOM 1126 CB HIS A 154 24.199 -6.894 9.377 1.00 11.80 C ATOM 1127 CG HIS A 154 24.241 -7.481 7.998 1.00 14.89 C ATOM 1128 ND1 HIS A 154 23.191 -7.351 7.105 1.00 16.63 N ATOM 1129 CD2 HIS A 154 25.188 -8.208 7.364 1.00 16.63 C ATOM 1130 CE1 HIS A 154 23.511 -7.947 5.966 1.00 15.89 C ATOM 1131 NE2 HIS A 154 24.702 -8.501 6.107 1.00 17.52 N ATOM 1132 N ASN A 155 25.214 -9.980 9.997 1.00 12.78 N ATOM 1133 CA ASN A 155 26.390 -10.863 9.952 1.00 14.98 C ATOM 1134 C ASN A 155 27.593 -10.076 9.447 1.00 17.44 C ATOM 1135 O ASN A 155 27.476 -9.284 8.521 1.00 17.96 O ATOM 1136 CB ASN A 155 26.139 -12.039 8.992 1.00 15.92 C ATOM 1137 CG ASN A 155 25.154 -13.060 9.547 1.00 20.80 C ATOM 1138 OD1 ASN A 155 24.547 -13.832 8.792 1.00 22.39 O ATOM 1139 ND2 ASN A 155 24.976 -13.060 10.845 1.00 11.61 N ATOM 1140 N ASP A 156 28.765 -10.330 10.027 1.00 18.61 N ATOM 1141 CA ASP A 156 30.000 -9.670 9.573 1.00 20.40 C ATOM 1142 C ASP A 156 30.088 -8.195 9.930 1.00 25.25 C ATOM 1143 O ASP A 156 30.941 -7.475 9.391 1.00 25.59 O ATOM 1144 CB ASP A 156 30.200 -9.815 8.049 1.00 22.80 C ATOM 1145 CG ASP A 156 30.016 -11.257 7.553 1.00 40.04 C ATOM 1146 OD1 ASP A 156 30.550 -12.196 8.190 1.00 41.92 O ATOM 1147 OD2 ASP A 156 29.350 -11.440 6.506 1.00 46.30 O ATOM 1148 N ASP A 157 29.167 -7.702 10.758 1.00 19.00 N ATOM 1149 CA ASP A 157 29.233 -6.305 11.183 1.00 17.70 C ATOM 1150 C ASP A 157 28.933 -6.316 12.668 1.00 19.80 C ATOM 1151 O ASP A 157 28.531 -7.358 13.204 1.00 19.22 O ATOM 1152 CB ASP A 157 28.252 -5.410 10.401 1.00 18.43 C ATOM 1153 CG ASP A 157 28.641 -3.914 10.445 1.00 23.94 C ATOM 1154 OD1 ASP A 157 29.528 -3.544 11.244 1.00 22.12 O ATOM 1155 OD2 ASP A 157 28.106 -3.106 9.645 1.00 27.89 O ATOM 1156 N GLU A 158 29.171 -5.197 13.350 1.00 14.79 N ATOM 1157 CA GLU A 158 28.846 -5.119 14.782 1.00 15.66 C ATOM 1158 C GLU A 158 27.428 -4.587 14.979 1.00 17.37 C ATOM 1159 O GLU A 158 26.753 -4.166 14.009 1.00 19.28 O ATOM 1160 CB GLU A 158 29.857 -4.275 15.575 1.00 17.34 C ATOM 1161 CG GLU A 158 30.038 -2.900 15.036 1.00 22.20 C ATOM 1162 CD GLU A 158 31.236 -2.843 14.085 1.00 64.37 C ATOM 1163 OE1 GLU A 158 31.034 -3.030 12.866 1.00 61.89 O ATOM 1164 OE2 GLU A 158 32.391 -2.735 14.568 1.00 66.52 O ATOM 1165 N GLN A 159 26.951 -4.623 16.217 1.00 13.26 N ATOM 1166 CA GLN A 159 25.590 -4.172 16.466 1.00 10.81 C ATOM 1167 C GLN A 159 25.561 -2.660 16.592 1.00 14.62 C ATOM 1168 O GLN A 159 26.449 -2.050 17.220 1.00 14.70 O ATOM 1169 CB GLN A 159 25.051 -4.840 17.732 1.00 12.70 C ATOM 1170 CG GLN A 159 23.653 -4.422 18.113 1.00 12.09 C ATOM 1171 CD GLN A 159 23.103 -5.377 19.153 1.00 16.10 C ATOM 1172 OE1 GLN A 159 23.237 -6.575 18.977 1.00 20.10 O ATOM 1173 NE2 GLN A 159 22.662 -4.853 20.290 1.00 16.30 N ATOM 1174 N TYR A 160 24.506 -2.055 16.055 1.00 10.64 N ATOM 1175 CA TYR A 160 24.349 -0.607 16.120 1.00 12.11 C ATOM 1176 C TYR A 160 22.980 -0.257 16.665 1.00 15.54 C ATOM 1177 O TYR A 160 22.029 -1.051 16.592 1.00 13.61 O ATOM 1178 CB TYR A 160 24.390 -0.004 14.714 1.00 13.47 C ATOM 1179 CG TYR A 160 25.699 -0.225 14.020 1.00 14.40 C ATOM 1180 CD1 TYR A 160 26.791 0.554 14.345 1.00 15.22 C ATOM 1181 CD2 TYR A 160 25.834 -1.208 13.041 1.00 17.74 C ATOM 1182 CE1 TYR A 160 28.060 0.263 13.797 1.00 15.27 C ATOM 1183 CE2 TYR A 160 27.048 -1.446 12.432 1.00 18.77 C ATOM 1184 CZ TYR A 160 28.149 -0.710 12.819 1.00 25.01 C ATOM 1185 OH TYR A 160 29.327 -0.938 12.189 1.00 21.48 O ATOM 1186 N ALA A 161 22.873 0.958 17.178 1.00 12.83 N ATOM 1187 CA ALA A 161 21.589 1.458 17.678 1.00 13.47 C ATOM 1188 C ALA A 161 21.418 2.852 17.084 1.00 19.25 C ATOM 1189 O ALA A 161 22.223 3.757 17.365 1.00 17.65 O ATOM 1190 CB ALA A 161 21.585 1.585 19.196 1.00 15.03 C ATOM 1191 N TRP A 162 20.334 3.013 16.333 1.00 11.37 N ATOM 1192 CA TRP A 162 19.901 4.284 15.757 1.00 11.93 C ATOM 1193 C TRP A 162 18.822 4.843 16.695 1.00 13.43 C ATOM 1194 O TRP A 162 18.035 4.083 17.288 1.00 11.17 O ATOM 1195 CB TRP A 162 19.290 3.988 14.391 1.00 11.20 C ATOM 1196 CG TRP A 162 18.703 5.110 13.666 1.00 11.05 C ATOM 1197 CD1 TRP A 162 19.242 5.723 12.556 1.00 13.83 C ATOM 1198 CD2 TRP A 162 17.387 5.680 13.842 1.00 10.52 C ATOM 1199 NE1 TRP A 162 18.376 6.679 12.084 1.00 14.32 N ATOM 1200 CE2 TRP A 162 17.198 6.605 12.788 1.00 12.93 C ATOM 1201 CE3 TRP A 162 16.302 5.401 14.705 1.00 10.06 C ATOM 1202 CZ2 TRP A 162 16.005 7.324 12.624 1.00 11.88 C ATOM 1203 CZ3 TRP A 162 15.133 6.162 14.573 1.00 12.35 C ATOM 1204 CH2 TRP A 162 15.012 7.140 13.547 1.00 11.79 C ATOM 1205 N GLU A 163 18.775 6.159 16.857 1.00 11.67 N ATOM 1206 CA GLU A 163 17.795 6.726 17.782 1.00 12.38 C ATOM 1207 C GLU A 163 17.416 8.097 17.325 1.00 15.49 C ATOM 1208 O GLU A 163 18.273 8.848 16.871 1.00 11.72 O ATOM 1209 CB GLU A 163 18.349 6.851 19.207 1.00 14.22 C ATOM 1210 CG GLU A 163 17.330 7.185 20.274 1.00 29.05 C ATOM 1211 CD GLU A 163 17.881 6.902 21.679 1.00 59.51 C ATOM 1212 OE1 GLU A 163 18.266 5.745 21.953 1.00 52.14 O ATOM 1213 OE2 GLU A 163 17.979 7.843 22.492 1.00 59.10 O ATOM 1214 N SER A 164 16.136 8.444 17.479 1.00 13.22 N ATOM 1215 CA SER A 164 15.682 9.784 17.116 1.00 11.40 C ATOM 1216 C SER A 164 14.367 10.106 17.800 1.00 14.26 C ATOM 1217 O SER A 164 13.472 9.243 17.932 1.00 13.20 O ATOM 1218 CB SER A 164 15.493 9.944 15.617 1.00 15.08 C ATOM 1219 OG SER A 164 15.115 11.266 15.272 1.00 15.78 O ATOM 1220 N SER A 165 14.304 11.351 18.259 1.00 11.96 N ATOM 1221 CA SER A 165 13.077 11.927 18.795 1.00 11.46 C ATOM 1222 C SER A 165 12.638 13.013 17.810 1.00 15.25 C ATOM 1223 O SER A 165 11.981 13.969 18.193 1.00 14.99 O ATOM 1224 CB SER A 165 13.345 12.480 20.192 1.00 15.79 C ATOM 1225 OG SER A 165 13.647 11.383 21.063 1.00 19.56 O ATOM 1226 N ALA A 166 12.985 12.834 16.539 1.00 13.95 N ATOM 1227 CA ALA A 166 12.642 13.786 15.480 1.00 15.63 C ATOM 1228 C ALA A 166 13.359 15.104 15.720 1.00 19.13 C ATOM 1229 O ALA A 166 14.534 15.088 16.069 1.00 18.11 O ATOM 1230 CB ALA A 166 11.119 13.948 15.345 1.00 17.49 C ATOM 1231 N GLY A 167 12.726 16.249 15.472 1.00 16.84 N ATOM 1232 CA GLY A 167 13.489 17.471 15.695 1.00 16.41 C ATOM 1233 C GLY A 167 14.639 17.669 14.706 1.00 18.82 C ATOM 1234 O GLY A 167 15.529 18.494 14.925 1.00 17.35 O ATOM 1235 N GLY A 168 14.651 16.883 13.633 1.00 13.54 N ATOM 1236 CA GLY A 168 15.651 16.999 12.596 1.00 13.89 C ATOM 1237 C GLY A 168 16.979 16.266 12.797 1.00 12.82 C ATOM 1238 O GLY A 168 17.846 16.376 11.952 1.00 12.72 O ATOM 1239 N SER A 169 17.075 15.445 13.835 1.00 10.91 N ATOM 1240 CA SER A 169 18.352 14.825 14.171 1.00 12.20 C ATOM 1241 C SER A 169 18.165 13.386 14.541 1.00 13.25 C ATOM 1242 O SER A 169 17.108 13.008 15.032 1.00 13.37 O ATOM 1243 CB SER A 169 18.847 15.560 15.439 1.00 16.78 C ATOM 1244 OG SER A 169 20.116 15.145 15.848 1.00 31.62 O ATOM 1245 N PHE A 170 19.219 12.591 14.367 1.00 10.86 N ATOM 1246 CA PHE A 170 19.200 11.192 14.786 1.00 10.19 C ATOM 1247 C PHE A 170 20.630 10.818 15.102 1.00 11.39 C ATOM 1248 O PHE A 170 21.552 11.493 14.668 1.00 14.01 O ATOM 1249 CB PHE A 170 18.623 10.247 13.731 1.00 10.88 C ATOM 1250 CG PHE A 170 19.433 10.138 12.473 1.00 10.56 C ATOM 1251 CD1 PHE A 170 19.172 10.966 11.408 1.00 14.72 C ATOM 1252 CD2 PHE A 170 20.323 9.079 12.293 1.00 12.47 C ATOM 1253 CE1 PHE A 170 19.816 10.774 10.189 1.00 16.09 C ATOM 1254 CE2 PHE A 170 21.011 8.912 11.091 1.00 16.01 C ATOM 1255 CZ PHE A 170 20.711 9.737 10.029 1.00 15.75 C ATOM 1256 N THR A 171 20.817 9.794 15.908 1.00 9.71 N ATOM 1257 CA THR A 171 22.187 9.360 16.191 1.00 10.28 C ATOM 1258 C THR A 171 22.333 7.891 15.783 1.00 15.01 C ATOM 1259 O THR A 171 21.346 7.142 15.780 1.00 14.09 O ATOM 1260 CB THR A 171 22.552 9.513 17.660 1.00 15.34 C ATOM 1261 OG1 THR A 171 21.593 8.808 18.485 1.00 17.97 O ATOM 1262 CG2 THR A 171 22.602 10.995 18.087 1.00 15.25 C ATOM 1263 N VAL A 172 23.576 7.489 15.493 1.00 10.97 N ATOM 1264 CA VAL A 172 23.908 6.084 15.253 1.00 11.54 C ATOM 1265 C VAL A 172 25.057 5.738 16.194 1.00 14.86 C ATOM 1266 O VAL A 172 26.114 6.379 16.165 1.00 13.16 O ATOM 1267 CB VAL A 172 24.309 5.800 13.792 1.00 14.21 C ATOM 1268 CG1 VAL A 172 24.794 4.360 13.661 1.00 16.23 C ATOM 1269 CG2 VAL A 172 23.092 5.973 12.881 1.00 14.59 C ATOM 1270 N ARG A 173 24.811 4.804 17.101 1.00 13.57 N ATOM 1271 CA ARG A 173 25.876 4.408 18.006 1.00 15.72 C ATOM 1272 C ARG A 173 26.254 2.926 17.929 1.00 21.12 C ATOM 1273 O ARG A 173 25.459 2.063 17.537 1.00 17.34 O ATOM 1274 CB ARG A 173 25.559 4.822 19.419 1.00 20.63 C ATOM 1275 CG ARG A 173 24.378 4.167 20.013 1.00 32.56 C ATOM 1276 CD ARG A 173 24.228 4.571 21.476 1.00 46.33 C ATOM 1277 NE ARG A 173 22.987 4.049 22.024 1.00 50.58 N ATOM 1278 CZ ARG A 173 22.843 2.821 22.504 1.00 61.69 C ATOM 1279 NH1 ARG A 173 23.883 1.992 22.539 1.00 47.08 N ATOM 1280 NH2 ARG A 173 21.661 2.430 22.956 1.00 43.55 N ATOM 1281 N THR A 174 27.504 2.626 18.252 1.00 18.97 N ATOM 1282 C THR A 174 27.340 0.746 19.595 1.00 27.91 C ATOM 1283 O THR A 174 27.495 1.396 20.641 1.00 30.64 O ATOM 1284 CA ATHR A 174 27.930 1.239 18.289 0.50 20.89 C ATOM 1285 CB ATHR A 174 29.451 1.145 18.255 0.50 30.49 C ATOM 1286 OG1ATHR A 174 29.983 1.844 19.388 0.50 32.39 O ATOM 1287 CG2ATHR A 174 29.955 1.788 16.984 0.50 27.98 C ATOM 1288 CA BTHR A 174 27.922 1.239 18.282 0.50 20.28 C ATOM 1289 CB BTHR A 174 29.448 1.147 18.140 0.50 22.67 C ATOM 1290 OG1BTHR A 174 29.799 1.747 16.895 0.50 18.44 O ATOM 1291 CG2BTHR A 174 29.939 -0.297 18.166 0.50 22.18 C ATOM 1292 N ASP A 175 26.529 -0.300 19.515 1.00 24.78 N ATOM 1293 CA ASP A 175 25.786 -0.788 20.670 1.00 25.37 C ATOM 1294 C ASP A 175 26.489 -1.941 21.345 1.00 35.76 C ATOM 1295 O ASP A 175 26.680 -2.988 20.744 1.00 37.08 O ATOM 1296 CB ASP A 175 24.387 -1.241 20.203 1.00 25.45 C ATOM 1297 CG ASP A 175 23.424 -1.537 21.355 1.00 30.54 C ATOM 1298 OD1 ASP A 175 23.534 -0.917 22.438 1.00 37.05 O ATOM 1299 OD2 ASP A 175 22.443 -2.262 21.119 1.00 31.49 O ATOM 1300 N THR A 176 26.825 -1.769 22.610 1.00 35.17 N ATOM 1301 CA THR A 176 27.438 -2.871 23.349 1.00 36.91 C ATOM 1302 C THR A 176 26.477 -3.421 24.406 1.00 43.75 C ATOM 1303 O THR A 176 26.864 -4.189 25.279 1.00 43.90 O ATOM 1304 CB THR A 176 28.856 -2.535 23.868 1.00 41.30 C ATOM 1305 OG1 THR A 176 28.875 -1.207 24.405 1.00 43.22 O ATOM 1306 CG2 THR A 176 29.860 -2.620 22.727 1.00 41.27 C ATOM 1307 N GLY A 177 25.200 -3.080 24.259 1.00 42.65 N ATOM 1308 CA GLY A 177 24.148 -3.549 25.149 1.00 42.83 C ATOM 1309 C GLY A 177 23.636 -4.948 24.813 1.00 44.68 C ATOM 1310 O GLY A 177 24.377 -5.780 24.301 1.00 45.53 O ATOM 1311 N GLU A 178 22.370 -5.208 25.133 1.00 37.81 N ATOM 1312 CA GLU A 178 21.744 -6.496 24.857 1.00 35.41 C ATOM 1313 C GLU A 178 22.000 -6.927 23.420 1.00 30.40 C ATOM 1314 O GLU A 178 21.429 -6.355 22.494 1.00 27.76 O ATOM 1315 CB GLU A 178 20.236 -6.396 25.082 1.00 36.92 C ATOM 1316 CG GLU A 178 19.453 -7.641 24.662 1.00 49.72 C ATOM 1317 CD GLU A 178 17.959 -7.447 24.821 1.00 74.52 C ATOM 1318 OE1 GLU A 178 17.565 -6.608 25.664 1.00 57.75 O ATOM 1319 OE2 GLU A 178 17.185 -8.115 24.097 1.00 73.40 O ATOM 1320 N PRO A 179 22.861 -7.931 23.223 1.00 26.11 N ATOM 1321 CA PRO A 179 23.220 -8.458 21.902 1.00 24.95 C ATOM 1322 C PRO A 179 22.054 -9.216 21.316 1.00 26.46 C ATOM 1323 O PRO A 179 21.440 -10.057 21.982 1.00 25.47 O ATOM 1324 CB PRO A 179 24.357 -9.437 22.197 1.00 27.27 C ATOM 1325 CG PRO A 179 24.150 -9.826 23.598 1.00 32.11 C ATOM 1326 CD PRO A 179 23.679 -8.557 24.275 1.00 28.29 C ATOM 1327 N MET A 180 21.776 -8.942 20.057 1.00 22.39 N ATOM 1328 CA MET A 180 20.672 -9.615 19.397 1.00 22.53 C ATOM 1329 C MET A 180 20.980 -10.778 18.517 1.00 22.18 C ATOM 1330 O MET A 180 20.058 -11.384 18.005 1.00 22.35 O ATOM 1331 CB MET A 180 19.765 -8.671 18.642 1.00 26.74 C ATOM 1332 CG MET A 180 20.428 -7.843 17.628 1.00 33.25 C ATOM 1333 SD MET A 180 19.450 -6.359 17.824 1.00 40.91 S ATOM 1334 CE MET A 180 18.436 -6.904 19.232 1.00 36.26 C ATOM 1335 N GLY A 181 22.247 -11.055 18.268 1.00 16.48 N ATOM 1336 CA GLY A 181 22.567 -12.232 17.445 1.00 14.96 C ATOM 1337 C GLY A 181 22.553 -11.815 16.014 1.00 13.74 C ATOM 1338 O GLY A 181 23.590 -11.727 15.346 1.00 14.41 O ATOM 1339 N ARG A 182 21.341 -11.584 15.517 1.00 11.75 N ATOM 1340 CA ARG A 182 21.171 -11.092 14.169 1.00 11.19 C ATOM 1341 C ARG A 182 19.722 -10.641 14.064 1.00 14.68 C ATOM 1342 O ARG A 182 18.821 -11.333 14.542 1.00 14.24 O ATOM 1343 CB ARG A 182 21.373 -12.184 13.126 1.00 12.16 C ATOM 1344 CG ARG A 182 21.266 -11.666 11.665 1.00 13.40 C ATOM 1345 CD ARG A 182 21.039 -12.806 10.651 1.00 15.19 C ATOM 1346 NE ARG A 182 19.755 -13.469 10.873 1.00 13.26 N ATOM 1347 CZ ARG A 182 19.639 -14.698 11.351 1.00 17.83 C ATOM 1348 NH1 ARG A 182 20.759 -15.397 11.627 1.00 12.56 N ATOM 1349 NH2 ARG A 182 18.433 -15.204 11.599 1.00 13.08 N ATOM 1350 N GLY A 183 19.516 -9.524 13.387 1.00 10.72 N ATOM 1351 CA GLY A 183 18.171 -9.004 13.156 1.00 9.64 C ATOM 1352 C GLY A 183 18.009 -7.543 13.558 1.00 14.27 C ATOM 1353 O GLY A 183 18.979 -6.831 13.760 1.00 12.90 O ATOM 1354 N THR A 184 16.759 -7.113 13.709 1.00 11.02 N ATOM 1355 CA THR A 184 16.473 -5.740 14.100 1.00 11.91 C ATOM 1356 C THR A 184 15.408 -5.749 15.194 1.00 14.39 C ATOM 1357 O THR A 184 14.465 -6.573 15.173 1.00 14.83 O ATOM 1358 CB THR A 184 16.032 -4.981 12.827 1.00 17.15 C ATOM 1359 OG1 THR A 184 17.160 -4.897 11.941 1.00 15.54 O ATOM 1360 CG2 THR A 184 15.422 -3.578 13.124 1.00 15.26 C ATOM 1361 N LYS A 185 15.508 -4.770 16.093 1.00 11.62 N ATOM 1362 CA LYS A 185 14.525 -4.583 17.152 1.00 11.80 C ATOM 1363 C LYS A 185 14.159 -3.101 17.087 1.00 14.72 C ATOM 1364 O LYS A 185 15.055 -2.257 17.093 1.00 14.26 O ATOM 1365 CB LYS A 185 15.198 -4.824 18.521 1.00 15.58 C ATOM 1366 CG LYS A 185 14.291 -4.495 19.719 1.00 20.08 C ATOM 1367 CD LYS A 185 15.077 -4.402 21.041 1.00 29.05 C ATOM 1368 CE LYS A 185 15.663 -5.713 21.485 1.00 38.90 C ATOM 1369 NZ LYS A 185 16.379 -5.537 22.793 1.00 41.49 N ATOM 1370 N VAL A 186 12.868 -2.790 16.941 1.00 9.98 N ATOM 1371 CA VAL A 186 12.389 -1.402 16.912 1.00 9.77 C ATOM 1372 C VAL A 186 11.634 -1.127 18.221 1.00 13.80 C ATOM 1373 O VAL A 186 10.650 -1.798 18.522 1.00 11.77 O ATOM 1374 CB VAL A 186 11.492 -1.103 15.694 1.00 13.70 C ATOM 1375 CG1 VAL A 186 11.150 0.395 15.661 1.00 14.03 C ATOM 1376 CG2 VAL A 186 12.244 -1.474 14.419 1.00 13.43 C ATOM 1377 N ILE A 187 12.084 -0.119 18.963 1.00 9.56 N ATOM 1378 CA ILE A 187 11.462 0.218 20.250 1.00 10.18 C ATOM 1379 C ILE A 187 10.732 1.545 20.089 1.00 12.80 C ATOM 1380 O ILE A 187 11.363 2.567 19.831 1.00 12.18 O ATOM 1381 CB ILE A 187 12.518 0.361 21.376 1.00 14.46 C ATOM 1382 CG1 ILE A 187 13.391 -0.892 21.509 1.00 16.20 C ATOM 1383 CG2 ILE A 187 11.816 0.717 22.711 1.00 15.41 C ATOM 1384 CD1 ILE A 187 14.597 -0.681 22.431 1.00 18.17 C ATOM 1385 N LEU A 188 9.408 1.500 20.199 1.00 9.99 N ATOM 1386 CA LEU A 188 8.595 2.687 20.101 1.00 11.19 C ATOM 1387 C LEU A 188 8.248 3.216 21.476 1.00 12.93 C ATOM 1388 O LEU A 188 7.599 2.503 22.277 1.00 13.10 O ATOM 1389 CB LEU A 188 7.283 2.362 19.389 1.00 11.44 C ATOM 1390 CG LEU A 188 7.469 1.628 18.035 1.00 18.33 C ATOM 1391 CD1 LEU A 188 6.100 1.276 17.461 1.00 19.95 C ATOM 1392 CD2 LEU A 188 8.255 2.474 17.065 1.00 20.56 C ATOM 1393 N HIS A 189 8.689 4.435 21.793 1.00 11.90 N ATOM 1394 CA HIS A 189 8.280 5.063 23.079 1.00 12.15 C ATOM 1395 C HIS A 189 7.002 5.820 22.758 1.00 13.55 C ATOM 1396 O HIS A 189 7.036 6.899 22.144 1.00 15.07 O ATOM 1397 CB HIS A 189 9.327 6.036 23.562 1.00 15.69 C ATOM 1398 CG HIS A 189 10.541 5.352 24.085 1.00 20.60 C ATOM 1399 ND1 HIS A 189 11.507 4.825 23.258 1.00 23.00 N ATOM 1400 CD2 HIS A 189 10.849 4.939 25.336 1.00 23.56 C ATOM 1401 CE1 HIS A 189 12.412 4.195 23.990 1.00 22.11 C ATOM 1402 NE2 HIS A 189 12.033 4.249 25.251 1.00 23.80 N ATOM 1403 N LEU A 190 5.866 5.229 23.106 1.00 12.26 N ATOM 1404 CA LEU A 190 4.579 5.752 22.655 1.00 9.80 C ATOM 1405 C LEU A 190 4.216 7.081 23.313 1.00 15.45 C ATOM 1406 O LEU A 190 4.558 7.315 24.469 1.00 14.07 O ATOM 1407 CB LEU A 190 3.464 4.762 22.963 1.00 9.61 C ATOM 1408 CG LEU A 190 3.567 3.431 22.190 1.00 14.06 C ATOM 1409 CD1 LEU A 190 2.407 2.543 22.607 1.00 13.71 C ATOM 1410 CD2 LEU A 190 3.565 3.655 20.688 1.00 13.74 C ATOM 1411 N LYS A 191 3.526 7.918 22.538 1.00 13.16 N ATOM 1412 CA LYS A 191 3.006 9.183 23.033 1.00 12.86 C ATOM 1413 C LYS A 191 1.868 8.872 24.007 1.00 17.27 C ATOM 1414 O LYS A 191 1.236 7.817 23.950 1.00 15.21 O ATOM 1415 CB LYS A 191 2.402 9.976 21.872 1.00 16.38 C ATOM 1416 CG LYS A 191 3.420 10.589 20.929 1.00 18.52 C ATOM 1417 CD LYS A 191 2.707 11.139 19.697 1.00 20.57 C ATOM 1418 CE LYS A 191 3.681 11.250 18.534 1.00 32.63 C ATOM 1419 NZ LYS A 191 3.073 11.888 17.344 1.00 35.23 N ATOM 1420 N GLU A 192 1.581 9.834 24.881 1.00 15.59 N ATOM 1421 CA GLU A 192 0.531 9.655 25.883 1.00 17.21 C ATOM 1422 C GLU A 192 -0.847 9.370 25.302 1.00 18.27 C ATOM 1423 O GLU A 192 -1.639 8.653 25.924 1.00 20.29 O ATOM 1424 CB GLU A 192 0.445 10.886 26.772 1.00 20.83 C ATOM 1425 CG GLU A 192 -0.577 10.718 27.903 1.00 35.16 C ATOM 1426 CD GLU A 192 -0.219 11.514 29.145 1.00 66.81 C ATOM 1427 OE1 GLU A 192 -0.733 11.166 30.235 1.00 68.80 O ATOM 1428 OE2 GLU A 192 0.583 12.473 29.032 1.00 62.00 O ATOM 1429 N ASP A 193 -1.149 9.965 24.154 1.00 15.57 N ATOM 1430 CA ASP A 193 -2.459 9.720 23.514 1.00 16.98 C ATOM 1431 C ASP A 193 -2.450 8.510 22.563 1.00 20.46 C ATOM 1432 O ASP A 193 -3.363 8.320 21.785 1.00 20.65 O ATOM 1433 CB ASP A 193 -3.005 10.970 22.802 1.00 18.85 C ATOM 1434 CG ASP A 193 -2.104 11.475 21.683 1.00 28.51 C ATOM 1435 OD1 ASP A 193 -1.028 10.901 21.466 1.00 30.96 O ATOM 1436 OD2 ASP A 193 -2.481 12.465 21.013 1.00 36.37 O ATOM 1437 N GLN A 194 -1.415 7.681 22.658 1.00 16.16 N ATOM 1438 CA GLN A 194 -1.305 6.494 21.796 1.00 14.09 C ATOM 1439 C GLN A 194 -1.038 5.190 22.571 1.00 17.70 C ATOM 1440 O GLN A 194 -0.648 4.179 21.981 1.00 16.07 O ATOM 1441 CB GLN A 194 -0.262 6.713 20.674 1.00 15.97 C ATOM 1442 CG GLN A 194 -0.412 8.023 19.871 1.00 15.59 C ATOM 1443 CD GLN A 194 -1.704 8.122 19.031 1.00 31.44 C ATOM 1444 OE1 GLN A 194 -2.202 9.224 18.774 1.00 26.16 O ATOM 1445 NE2 GLN A 194 -2.203 6.992 18.557 1.00 23.70 N ATOM 1446 N THR A 195 -1.305 5.197 23.871 1.00 14.84 N ATOM 1447 CA THR A 195 -1.141 4.009 24.718 1.00 14.83 C ATOM 1448 C THR A 195 -2.087 2.855 24.385 1.00 18.83 C ATOM 1449 O THR A 195 -1.944 1.744 24.931 1.00 19.72 O ATOM 1450 CB THR A 195 -1.207 4.378 26.220 1.00 26.21 C ATOM 1451 OG1 THR A 195 -2.358 5.197 26.458 1.00 27.55 O ATOM 1452 CG2 THR A 195 0.034 5.110 26.653 1.00 23.73 C ATOM 1453 N GLU A 196 -3.086 3.106 23.535 1.00 15.81 N ATOM 1454 CA GLU A 196 -3.996 2.035 23.127 1.00 16.60 C ATOM 1455 C GLU A 196 -3.201 0.889 22.489 1.00 16.75 C ATOM 1456 O GLU A 196 -3.592 -0.282 22.546 1.00 16.44 O ATOM 1457 CB GLU A 196 -4.996 2.553 22.106 1.00 18.38 C ATOM 1458 CG GLU A 196 -4.321 3.056 20.803 1.00 25.17 C ATOM 1459 CD GLU A 196 -5.318 3.585 19.799 1.00 48.78 C ATOM 1460 OE1 GLU A 196 -5.315 4.818 19.566 1.00 44.29 O ATOM 1461 OE2 GLU A 196 -6.122 2.767 19.276 1.00 35.31 O ATOM 1462 N TYR A 197 -2.051 1.226 21.898 1.00 14.35 N ATOM 1463 CA TYR A 197 -1.228 0.204 21.256 1.00 12.84 C ATOM 1464 C TYR A 197 -0.437 -0.694 22.208 1.00 17.06 C ATOM 1465 O TYR A 197 0.333 -1.541 21.754 1.00 18.37 O ATOM 1466 CB TYR A 197 -0.339 0.813 20.156 1.00 14.16 C ATOM 1467 CG TYR A 197 -1.166 1.488 19.097 1.00 14.46 C ATOM 1468 CD1 TYR A 197 -2.084 0.756 18.326 1.00 15.69 C ATOM 1469 CD2 TYR A 197 -1.151 2.882 18.952 1.00 15.34 C ATOM 1470 CE1 TYR A 197 -2.901 1.381 17.398 1.00 17.17 C ATOM 1471 CE2 TYR A 197 -1.987 3.521 18.013 1.00 16.05 C ATOM 1472 CZ TYR A 197 -2.866 2.766 17.261 1.00 23.66 C ATOM 1473 OH TYR A 197 -3.708 3.389 16.373 1.00 22.92 O ATOM 1474 N LEU A 198 -0.624 -0.505 23.512 1.00 14.68 N ATOM 1475 CA LEU A 198 -0.036 -1.367 24.514 1.00 16.02 C ATOM 1476 C LEU A 198 -1.002 -2.487 24.888 1.00 17.98 C ATOM 1477 O LEU A 198 -0.633 -3.377 25.648 1.00 17.44 O ATOM 1478 CB LEU A 198 0.294 -0.583 25.798 1.00 16.86 C ATOM 1479 CG LEU A 198 1.388 0.490 25.712 1.00 19.02 C ATOM 1480 CD1 LEU A 198 1.426 1.407 26.958 1.00 18.97 C ATOM 1481 CD2 LEU A 198 2.728 -0.151 25.411 1.00 20.65 C ATOM 1482 N GLU A 199 -2.257 -2.409 24.425 1.00 14.64 N ATOM 1483 CA GLU A 199 -3.275 -3.385 24.818 1.00 15.47 C ATOM 1484 C GLU A 199 -3.294 -4.611 23.904 1.00 19.64 C ATOM 1485 O GLU A 199 -3.346 -4.475 22.690 1.00 19.40 O ATOM 1486 CB GLU A 199 -4.645 -2.712 24.789 1.00 17.31 C ATOM 1487 CG GLU A 199 -4.801 -1.602 25.841 1.00 23.38 C ATOM 1488 CD GLU A 199 -4.478 -2.082 27.250 1.00 46.43 C ATOM 1489 OE1 GLU A 199 -4.957 -3.168 27.648 1.00 50.76 O ATOM 1490 OE2 GLU A 199 -3.749 -1.367 27.968 1.00 43.48 O ATOM 1491 N GLU A 200 -3.288 -5.811 24.495 1.00 16.66 N ATOM 1492 CA GLU A 200 -3.314 -7.043 23.703 1.00 15.49 C ATOM 1493 C GLU A 200 -4.514 -7.030 22.760 1.00 19.07 C ATOM 1494 O GLU A 200 -4.431 -7.448 21.610 1.00 17.34 O ATOM 1495 CB GLU A 200 -3.489 -8.263 24.627 1.00 16.98 C ATOM 1496 CG GLU A 200 -3.790 -9.542 23.840 1.00 23.88 C ATOM 1497 CD GLU A 200 -3.839 -10.765 24.728 1.00 40.04 C ATOM 1498 OE1 GLU A 200 -3.524 -10.629 25.930 1.00 26.58 O ATOM 1499 OE2 GLU A 200 -4.207 -11.852 24.231 1.00 43.01 O ATOM 1500 N ARG A 201 -5.668 -6.618 23.271 1.00 16.39 N ATOM 1501 CA ARG A 201 -6.835 -6.591 22.425 1.00 17.81 C ATOM 1502 C ARG A 201 -6.635 -5.775 21.142 1.00 20.39 C ATOM 1503 O ARG A 201 -7.027 -6.191 20.037 1.00 19.77 O ATOM 1504 CB ARG A 201 -8.032 -6.059 23.207 1.00 19.13 C ATOM 1505 CG ARG A 201 -9.056 -5.409 22.320 1.00 39.35 C ATOM 1506 CD ARG A 201 -10.284 -6.264 22.126 1.00 53.74 C ATOM 1507 NE ARG A 201 -11.496 -5.474 22.355 1.00 64.57 N ATOM 1508 CZ ARG A 201 -12.695 -5.767 21.857 1.00 77.10 C ATOM 1509 NH1 ARG A 201 -12.853 -6.822 21.068 1.00 59.26 N ATOM 1510 NH2 ARG A 201 -13.736 -4.987 22.128 1.00 65.67 N ATOM 1511 N ARG A 202 -6.018 -4.612 21.291 1.00 15.33 N ATOM 1512 CA ARG A 202 -5.836 -3.722 20.143 1.00 16.00 C ATOM 1513 C ARG A 202 -4.787 -4.297 19.179 1.00 18.25 C ATOM 1514 O ARG A 202 -5.019 -4.394 17.977 1.00 19.46 O ATOM 1515 CB ARG A 202 -5.466 -2.340 20.667 1.00 19.33 C ATOM 1516 CG ARG A 202 -5.335 -1.280 19.617 1.00 22.52 C ATOM 1517 CD ARG A 202 -6.662 -0.853 19.057 1.00 27.77 C ATOM 1518 NE ARG A 202 -6.477 0.321 18.217 1.00 33.41 N ATOM 1519 CZ ARG A 202 -6.875 0.408 16.959 1.00 44.09 C ATOM 1520 NH1 ARG A 202 -7.539 -0.604 16.423 1.00 39.48 N ATOM 1521 NH2 ARG A 202 -6.635 1.521 16.256 1.00 28.53 N ATOM 1522 N ILE A 203 -3.630 -4.661 19.704 1.00 13.43 N ATOM 1523 CA ILE A 203 -2.593 -5.286 18.884 1.00 13.49 C ATOM 1524 C ILE A 203 -3.166 -6.460 18.071 1.00 17.33 C ATOM 1525 O ILE A 203 -2.966 -6.531 16.865 1.00 17.35 O ATOM 1526 CB ILE A 203 -1.424 -5.764 19.757 1.00 15.68 C ATOM 1527 CG1 ILE A 203 -0.739 -4.554 20.433 1.00 15.64 C ATOM 1528 CG2 ILE A 203 -0.457 -6.606 18.912 1.00 17.07 C ATOM 1529 CD1 ILE A 203 0.169 -4.892 21.562 1.00 19.23 C ATOM 1530 N LYS A 204 -3.857 -7.400 18.718 1.00 15.83 N ATOM 1531 CA LYS A 204 -4.442 -8.525 17.966 1.00 16.68 C ATOM 1532 C LYS A 204 -5.347 -8.071 16.837 1.00 17.52 C ATOM 1533 O LYS A 204 -5.327 -8.620 15.744 1.00 15.82 O ATOM 1534 CB LYS A 204 -5.198 -9.484 18.893 1.00 18.43 C ATOM 1535 CG LYS A 204 -4.274 -10.130 19.886 1.00 25.88 C ATOM 1536 CD LYS A 204 -4.839 -11.424 20.422 1.00 40.02 C ATOM 1537 CE LYS A 204 -5.944 -11.174 21.377 1.00 52.23 C ATOM 1538 NZ LYS A 204 -6.282 -12.439 22.093 1.00 64.68 N ATOM 1539 N GLU A 205 -6.198 -7.098 17.143 1.00 16.79 N ATOM 1540 CA GLU A 205 -7.124 -6.527 16.170 1.00 18.01 C ATOM 1541 C GLU A 205 -6.354 -5.978 14.960 1.00 21.22 C ATOM 1542 O GLU A 205 -6.698 -6.270 13.826 1.00 18.16 O ATOM 1543 CB GLU A 205 -7.908 -5.370 16.801 1.00 20.68 C ATOM 1544 CG GLU A 205 -9.006 -5.793 17.761 1.00 36.70 C ATOM 1545 CD GLU A 205 -9.728 -4.607 18.396 1.00 61.63 C ATOM 1546 OE1 GLU A 205 -9.227 -3.458 18.294 1.00 36.09 O ATOM 1547 OE2 GLU A 205 -10.800 -4.831 19.007 1.00 60.25 O ATOM 1548 N ILE A 206 -5.310 -5.182 15.205 1.00 16.34 N ATOM 1549 CA ILE A 206 -4.594 -4.580 14.075 1.00 14.81 C ATOM 1550 C ILE A 206 -3.758 -5.577 13.274 1.00 16.65 C ATOM 1551 O ILE A 206 -3.601 -5.437 12.076 1.00 18.87 O ATOM 1552 CB ILE A 206 -3.845 -3.285 14.439 1.00 19.26 C ATOM 1553 CG1 ILE A 206 -2.687 -3.544 15.358 1.00 21.29 C ATOM 1554 CG2 ILE A 206 -4.797 -2.296 15.082 1.00 20.09 C ATOM 1555 CD1 ILE A 206 -1.925 -2.249 15.707 1.00 28.31 C ATOM 1556 N VAL A 207 -3.257 -6.607 13.930 1.00 14.03 N ATOM 1557 CA VAL A 207 -2.471 -7.600 13.202 1.00 15.79 C ATOM 1558 C VAL A 207 -3.390 -8.388 12.295 1.00 21.02 C ATOM 1559 O VAL A 207 -3.098 -8.591 11.105 1.00 21.15 O ATOM 1560 CB VAL A 207 -1.705 -8.490 14.174 1.00 19.79 C ATOM 1561 CG1 VAL A 207 -1.142 -9.726 13.437 1.00 19.63 C ATOM 1562 CG2 VAL A 207 -0.610 -7.660 14.824 1.00 18.88 C ATOM 1563 N LYS A 208 -4.525 -8.803 12.844 1.00 19.22 N ATOM 1564 CA LYS A 208 -5.520 -9.529 12.043 1.00 17.73 C ATOM 1565 C LYS A 208 -5.992 -8.692 10.854 1.00 20.72 C ATOM 1566 O LYS A 208 -6.195 -9.210 9.743 1.00 22.33 O ATOM 1567 CB LYS A 208 -6.741 -9.854 12.915 1.00 19.78 C ATOM 1568 CG LYS A 208 -6.443 -10.822 14.047 1.00 43.56 C ATOM 1569 CD LYS A 208 -5.556 -11.965 13.563 1.00 57.06 C ATOM 1570 CE LYS A 208 -5.763 -13.241 14.382 1.00 70.96 C ATOM 1571 NZ LYS A 208 -6.955 -14.029 13.938 1.00 77.10 N ATOM 1572 N LYS A 209 -6.233 -7.403 11.095 1.00 18.68 N ATOM 1573 CA LYS A 209 -6.755 -6.533 10.057 1.00 17.93 C ATOM 1574 C LYS A 209 -5.770 -6.209 8.935 1.00 22.24 C ATOM 1575 O LYS A 209 -6.125 -6.216 7.759 1.00 22.65 O ATOM 1576 CB LYS A 209 -7.324 -5.225 10.651 1.00 18.82 C ATOM 1577 CG LYS A 209 -8.033 -4.388 9.605 1.00 28.67 C ATOM 1578 CD LYS A 209 -8.077 -2.901 9.938 1.00 36.57 C ATOM 1579 CE LYS A 209 -9.103 -2.560 10.973 1.00 44.44 C ATOM 1580 NZ LYS A 209 -9.579 -1.141 10.776 1.00 37.71 N ATOM 1581 N HIS A 210 -4.530 -5.917 9.303 1.00 17.96 N ATOM 1582 CA HIS A 210 -3.566 -5.390 8.325 1.00 17.77 C ATOM 1583 C HIS A 210 -2.407 -6.277 7.937 1.00 21.70 C ATOM 1584 O HIS A 210 -1.726 -6.001 6.942 1.00 21.48 O ATOM 1585 CB HIS A 210 -3.006 -4.069 8.868 1.00 18.14 C ATOM 1586 CG HIS A 210 -4.006 -2.961 8.894 1.00 21.47 C ATOM 1587 ND1 HIS A 210 -4.593 -2.503 10.059 1.00 23.34 N ATOM 1588 CD2 HIS A 210 -4.549 -2.238 7.888 1.00 21.71 C ATOM 1589 CE1 HIS A 210 -5.449 -1.540 9.761 1.00 22.35 C ATOM 1590 NE2 HIS A 210 -5.422 -1.344 8.453 1.00 23.24 N ATOM 1591 N SER A 211 -2.098 -7.241 8.794 1.00 17.87 N ATOM 1592 CA SER A 211 -0.921 -8.067 8.587 1.00 19.27 C ATOM 1593 C SER A 211 -1.146 -9.592 8.616 1.00 26.64 C ATOM 1594 O SER A 211 -0.448 -10.332 9.309 1.00 26.39 O ATOM 1595 CB SER A 211 0.158 -7.629 9.576 1.00 22.90 C ATOM 1596 OG SER A 211 0.217 -8.511 10.671 1.00 44.82 O ATOM 1597 N GLN A 212 -2.108 -10.057 7.818 1.00 27.54 N ATOM 1598 CA GLN A 212 -2.413 -11.478 7.721 1.00 27.35 C ATOM 1599 C GLN A 212 -1.381 -12.225 6.894 1.00 30.21 C ATOM 1600 O GLN A 212 -0.643 -11.646 6.080 1.00 30.72 O ATOM 1601 CB GLN A 212 -3.808 -11.699 7.108 1.00 29.50 C ATOM 1602 CG GLN A 212 -4.905 -10.827 7.671 1.00 34.59 C ATOM 1603 CD GLN A 212 -6.242 -11.081 6.981 1.00 52.52 C ATOM 1604 OE1 GLN A 212 -6.342 -11.945 6.114 1.00 49.14 O ATOM 1605 NE2 GLN A 212 -7.262 -10.311 7.344 1.00 38.25 N ATOM 1606 N PHE A 213 -1.348 -13.535 7.078 1.00 27.06 N ATOM 1607 CA PHE A 213 -0.449 -14.404 6.329 1.00 26.81 C ATOM 1608 C PHE A 213 0.985 -13.884 6.173 1.00 30.62 C ATOM 1609 O PHE A 213 1.551 -13.897 5.072 1.00 28.56 O ATOM 1610 CB PHE A 213 -1.058 -14.796 4.993 1.00 28.26 C ATOM 1611 CG PHE A 213 -2.468 -15.307 5.112 1.00 30.29 C ATOM 1612 CD1 PHE A 213 -2.714 -16.614 5.520 1.00 33.98 C ATOM 1613 CD2 PHE A 213 -3.546 -14.459 4.909 1.00 31.99 C ATOM 1614 CE1 PHE A 213 -4.017 -17.066 5.705 1.00 35.59 C ATOM 1615 CE2 PHE A 213 -4.863 -14.906 5.077 1.00 35.48 C ATOM 1616 CZ PHE A 213 -5.092 -16.209 5.474 1.00 34.10 C ATOM 1617 N ILE A 214 1.570 -13.422 7.275 1.00 27.57 N ATOM 1618 CA ILE A 214 2.966 -12.995 7.235 1.00 27.29 C ATOM 1619 C ILE A 214 3.575 -14.376 7.230 1.00 32.88 C ATOM 1620 O ILE A 214 3.011 -15.308 7.819 1.00 35.68 O ATOM 1621 CB ILE A 214 3.321 -12.171 8.509 1.00 30.17 C ATOM 1622 CG1 ILE A 214 2.611 -10.837 8.458 1.00 31.74 C ATOM 1623 CG2 ILE A 214 4.804 -11.968 8.675 1.00 26.72 C ATOM 1624 CD1 ILE A 214 2.850 -10.105 7.187 1.00 39.88 C ATOM 1625 N GLY A 215 4.611 -14.579 6.441 1.00 27.39 N ATOM 1626 CA GLY A 215 5.151 -15.923 6.331 1.00 26.42 C ATOM 1627 C GLY A 215 6.084 -16.345 7.447 1.00 24.35 C ATOM 1628 O GLY A 215 6.949 -17.189 7.231 1.00 24.42 O ATOM 1629 N TYR A 216 5.939 -15.736 8.626 1.00 19.43 N ATOM 1630 CA TYR A 216 6.793 -16.055 9.768 1.00 17.53 C ATOM 1631 C TYR A 216 5.922 -15.997 11.021 1.00 18.43 C ATOM 1632 O TYR A 216 4.968 -15.226 11.077 1.00 16.62 O ATOM 1633 CB TYR A 216 7.934 -15.043 9.885 1.00 16.10 C ATOM 1634 CG TYR A 216 8.764 -15.022 8.637 1.00 14.00 C ATOM 1635 CD1 TYR A 216 9.731 -15.988 8.413 1.00 16.07 C ATOM 1636 CD2 TYR A 216 8.508 -14.084 7.635 1.00 13.07 C ATOM 1637 CE1 TYR A 216 10.430 -16.049 7.191 1.00 14.20 C ATOM 1638 CE2 TYR A 216 9.212 -14.113 6.421 1.00 13.10 C ATOM 1639 CZ TYR A 216 10.165 -15.087 6.210 1.00 16.19 C ATOM 1640 OH TYR A 216 10.841 -15.148 5.003 1.00 17.76 O ATOM 1641 N PRO A 217 6.235 -16.827 12.026 1.00 16.12 N ATOM 1642 CA PRO A 217 5.363 -16.742 13.218 1.00 15.39 C ATOM 1643 C PRO A 217 5.522 -15.415 13.945 1.00 17.55 C ATOM 1644 O PRO A 217 6.639 -14.929 14.115 1.00 17.42 O ATOM 1645 CB PRO A 217 5.913 -17.827 14.166 1.00 18.03 C ATOM 1646 CG PRO A 217 6.965 -18.615 13.382 1.00 22.19 C ATOM 1647 CD PRO A 217 7.347 -17.794 12.166 1.00 16.91 C ATOM 1648 N ILE A 218 4.406 -14.879 14.418 1.00 15.86 N ATOM 1649 CA ILE A 218 4.401 -13.639 15.203 1.00 16.22 C ATOM 1650 C ILE A 218 3.909 -14.038 16.593 1.00 20.34 C ATOM 1651 O ILE A 218 2.816 -14.617 16.727 1.00 21.02 O ATOM 1652 CB ILE A 218 3.449 -12.585 14.612 1.00 19.53 C ATOM 1653 CG1 ILE A 218 3.894 -12.162 13.197 1.00 20.65 C ATOM 1654 CG2 ILE A 218 3.436 -11.327 15.481 1.00 20.33 C ATOM 1655 CD1 ILE A 218 2.893 -11.200 12.572 1.00 28.86 C ATOM 1656 N THR A 219 4.696 -13.719 17.617 1.00 16.10 N ATOM 1657 CA THR A 219 4.299 -14.038 18.993 1.00 14.00 C ATOM 1658 C THR A 219 4.070 -12.733 19.722 1.00 17.88 C ATOM 1659 O THR A 219 4.949 -11.857 19.717 1.00 18.11 O ATOM 1660 CB THR A 219 5.414 -14.769 19.723 1.00 17.59 C ATOM 1661 OG1 THR A 219 5.750 -15.978 19.020 1.00 17.38 O ATOM 1662 CG2 THR A 219 4.951 -15.129 21.179 1.00 20.54 C ATOM 1663 N LEU A 220 2.971 -12.660 20.457 1.00 12.49 N ATOM 1664 CA LEU A 220 2.714 -11.485 21.287 1.00 13.10 C ATOM 1665 C LEU A 220 3.138 -11.786 22.739 1.00 15.55 C ATOM 1666 O LEU A 220 2.649 -12.759 23.348 1.00 15.35 O ATOM 1667 CB LEU A 220 1.212 -11.139 21.250 1.00 13.62 C ATOM 1668 CG LEU A 220 0.748 -9.938 22.092 1.00 17.93 C ATOM 1669 CD1 LEU A 220 1.467 -8.640 21.699 1.00 16.34 C ATOM 1670 CD2 LEU A 220 -0.758 -9.806 21.767 1.00 21.76 C ATOM 1671 N PHE A 221 4.024 -10.974 23.311 1.00 12.41 N ATOM 1672 CA PHE A 221 4.441 -11.208 24.687 1.00 12.58 C ATOM 1673 C PHE A 221 3.426 -10.488 25.559 1.00 14.97 C ATOM 1674 O PHE A 221 3.144 -9.312 25.357 1.00 16.99 O ATOM 1675 CB PHE A 221 5.806 -10.580 24.970 1.00 15.61 C ATOM 1676 CG PHE A 221 6.963 -11.287 24.354 1.00 15.89 C ATOM 1677 CD1 PHE A 221 6.809 -12.391 23.518 1.00 19.10 C ATOM 1678 CD2 PHE A 221 8.262 -10.881 24.706 1.00 19.66 C ATOM 1679 CE1 PHE A 221 7.934 -13.088 23.057 1.00 21.81 C ATOM 1680 CE2 PHE A 221 9.376 -11.559 24.234 1.00 20.14 C ATOM 1681 CZ PHE A 221 9.221 -12.668 23.426 1.00 19.25 C ATOM 1682 N VAL A 222 2.864 -11.195 26.527 1.00 12.96 N ATOM 1683 CA VAL A 222 1.849 -10.597 27.388 1.00 14.26 C ATOM 1684 C VAL A 222 2.220 -10.822 28.841 1.00 15.74 C ATOM 1685 O VAL A 222 3.015 -11.690 29.146 1.00 14.71 O ATOM 1686 CB VAL A 222 0.430 -11.191 27.095 1.00 20.94 C ATOM 1687 CG1 VAL A 222 0.150 -11.159 25.610 1.00 23.04 C ATOM 1688 CG2 VAL A 222 0.324 -12.630 27.616 1.00 20.87 C ATOM 1689 N GLU A 223 1.687 -9.993 29.733 1.00 16.58 N ATOM 1690 CA GLU A 223 1.995 -10.174 31.144 1.00 16.62 C ATOM 1691 C GLU A 223 0.668 -10.336 31.862 1.00 19.21 C ATOM 1692 O GLU A 223 0.053 -9.341 32.229 1.00 19.55 O ATOM 1693 CB GLU A 223 2.748 -8.982 31.730 1.00 18.30 C ATOM 1694 CG GLU A 223 3.136 -9.258 33.192 1.00 30.77 C ATOM 1695 CD GLU A 223 4.086 -8.227 33.776 1.00 54.48 C ATOM 1696 OE1 GLU A 223 5.307 -8.326 33.531 1.00 55.01 O ATOM 1697 OE2 GLU A 223 3.601 -7.346 34.511 1.00 46.61 O ATOM 1698 N LYS A 224 0.199 -11.570 31.991 1.00 16.00 N ATOM 1699 CA LYS A 224 -1.112 -11.816 32.573 1.00 15.19 C ATOM 1700 C LYS A 224 -1.093 -12.746 33.782 1.00 17.91 C ATOM 1701 O LYS A 224 -2.167 -13.054 34.336 1.00 15.33 O ATOM 1702 CB LYS A 224 -2.030 -12.426 31.513 1.00 17.90 C ATOM 1703 CG LYS A 224 -2.210 -11.548 30.313 1.00 26.12 C ATOM 1704 CD LYS A 224 -2.633 -12.392 29.101 1.00 28.22 C ATOM 1705 CE LYS A 224 -4.096 -12.292 28.840 1.00 32.91 C ATOM 1706 NZ LYS A 224 -4.401 -12.951 27.527 1.00 27.15 N ATOM 1707 N GLU A 225 0.106 -13.185 34.173 1.00 14.54 N ATOM 1708 CA GLU A 225 0.239 -14.179 35.258 1.00 14.71 C ATOM 1709 C GLU A 225 1.256 -13.746 36.295 1.00 18.34 C ATOM 1710 O GLU A 225 1.814 -14.589 37.010 1.00 18.36 O ATOM 1711 CB GLU A 225 0.679 -15.525 34.686 1.00 15.90 C ATOM 1712 CG GLU A 225 -0.350 -16.181 33.792 1.00 28.82 C ATOM 1713 CD GLU A 225 0.195 -17.376 33.039 1.00 42.95 C ATOM 1714 OE1 GLU A 225 1.117 -18.049 33.532 1.00 48.89 O ATOM 1715 OE2 GLU A 225 -0.335 -17.664 31.963 1.00 31.53 O ATOM 1716 N ARG A 226 1.462 -12.438 36.425 1.00 15.92 N ATOM 1717 CA ARG A 226 2.454 -11.981 37.369 1.00 14.23 C ATOM 1718 C ARG A 226 2.025 -12.353 38.791 1.00 21.19 C ATOM 1719 O ARG A 226 0.872 -12.126 39.169 1.00 19.58 O ATOM 1720 CB ARG A 226 2.664 -10.494 37.240 1.00 16.90 C ATOM 1721 CG ARG A 226 3.926 -10.030 37.939 1.00 23.68 C ATOM 1722 CD ARG A 226 4.186 -8.585 37.606 1.00 28.85 C ATOM 1723 NE ARG A 226 5.383 -8.057 38.262 1.00 29.08 N ATOM 1724 CZ ARG A 226 6.492 -7.726 37.616 1.00 32.45 C ATOM 1725 NH1 ARG A 226 6.574 -7.890 36.293 1.00 20.35 N ATOM 1726 NH2 ARG A 226 7.500 -7.205 38.291 1.00 22.05 N ATOM 1727 N ASP A 227 2.944 -12.948 39.563 1.00 15.80 N ATOM 1728 CA ASP A 227 2.613 -13.350 40.922 1.00 14.75 C ATOM 1729 C ASP A 227 2.375 -12.089 41.727 1.00 19.50 C ATOM 1730 O ASP A 227 3.143 -11.129 41.634 1.00 20.98 O ATOM 1731 CB ASP A 227 3.749 -14.154 41.556 1.00 16.28 C ATOM 1732 CG ASP A 227 4.094 -15.425 40.769 1.00 27.19 C ATOM 1733 OD1 ASP A 227 3.205 -15.963 40.065 1.00 27.83 O ATOM 1734 OD2 ASP A 227 5.243 -15.917 40.914 1.00 27.14 O ATOM 1735 N LYS A 228 1.383 -12.123 42.599 1.00 18.23 N ATOM 1736 CA LYS A 228 1.079 -10.950 43.412 1.00 19.84 C ATOM 1737 C LYS A 228 2.212 -10.487 44.308 1.00 23.17 C ATOM 1738 O LYS A 228 2.344 -9.280 44.594 1.00 21.25 O ATOM 1739 CB LYS A 228 -0.173 -11.187 44.258 1.00 23.29 C ATOM 1740 CG LYS A 228 -0.079 -12.302 45.274 1.00 32.07 C ATOM 1741 CD LYS A 228 -1.343 -12.264 46.170 1.00 37.01 C ATOM 1742 CE LYS A 228 -1.172 -13.091 47.428 1.00 36.98 C ATOM 1743 NZ LYS A 228 -1.288 -14.544 47.141 1.00 50.36 N ATOM 1744 N GLU A 229 3.037 -11.434 44.747 1.00 19.12 N ATOM 1745 CA GLU A 229 4.135 -11.120 45.669 1.00 19.04 C ATOM 1746 C GLU A 229 5.285 -10.337 45.055 1.00 22.40 C ATOM 1747 O GLU A 229 6.165 -9.840 45.770 1.00 23.54 O ATOM 1748 CB GLU A 229 4.619 -12.346 46.457 1.00 19.67 C ATOM 1749 CG GLU A 229 3.523 -13.115 47.217 1.00 22.45 C ATOM 1750 CD GLU A 229 2.718 -14.114 46.362 1.00 32.52 C ATOM 1751 OE1 GLU A 229 2.799 -14.094 45.111 1.00 20.09 O ATOM 1752 OE2 GLU A 229 2.019 -14.964 46.946 1.00 31.13 O ATOM 1753 N VAL A 230 5.215 -10.152 43.738 1.00 17.24 N ATOM 1754 CA VAL A 230 6.154 -9.329 42.999 1.00 17.82 C ATOM 1755 C VAL A 230 5.375 -8.449 42.009 1.00 25.39 C ATOM 1756 O VAL A 230 5.863 -8.163 40.904 1.00 26.75 O ATOM 1757 CB VAL A 230 7.229 -10.202 42.264 1.00 20.46 C ATOM 1758 CG1 VAL A 230 8.208 -10.775 43.289 1.00 21.19 C ATOM 1759 CG2 VAL A 230 6.575 -11.311 41.418 1.00 20.12 C ATOM 1760 N SER A 231 4.150 -8.056 42.366 1.00 19.74 N ATOM 1761 CA SER A 231 3.380 -7.199 41.450 1.00 39.21 C ATOM 1762 C SER A 231 4.153 -5.916 41.180 1.00 67.31 C ATOM 1763 O SER A 231 4.543 -5.222 42.114 1.00 37.55 O ATOM 1764 CB SER A 231 2.003 -6.852 42.009 1.00 42.91 C ATOM 1765 OG SER A 231 1.253 -8.024 42.234 1.00 54.84 O TER 1766 SER A 231 HETATM 1767 C1 XJX A1232 13.790 0.293 10.800 1.00 15.54 C HETATM 1768 C2 XJX A1232 13.097 -0.409 9.627 1.00 12.98 C HETATM 1769 C3 XJX A1232 13.565 0.183 8.302 1.00 14.93 C HETATM 1770 C4 XJX A1232 13.280 -1.925 9.716 1.00 9.53 C HETATM 1771 C5 XJX A1232 14.378 -2.556 9.133 1.00 15.89 C HETATM 1772 C6 XJX A1232 14.593 -3.928 9.284 1.00 12.21 C HETATM 1773 C7 XJX A1232 15.763 -4.569 8.623 1.00 9.97 C HETATM 1774 O8 XJX A1232 16.684 -4.985 9.297 1.00 12.42 O HETATM 1775 N9 XJX A1232 15.793 -4.597 7.283 1.00 13.46 N HETATM 1776 C10 XJX A1232 16.882 -5.218 6.515 1.00 13.49 C HETATM 1777 C11 XJX A1232 16.266 -5.375 5.153 1.00 13.44 C HETATM 1778 C12 XJX A1232 16.789 -5.984 4.019 1.00 17.34 C HETATM 1779 C13 XJX A1232 16.053 -6.015 2.848 1.00 16.78 C HETATM 1780 C14 XJX A1232 14.788 -5.437 2.793 1.00 25.83 C HETATM 1781 C15 XJX A1232 13.987 -5.448 1.514 1.00 39.58 C HETATM 1782 N16 XJX A1232 14.297 -4.266 0.628 1.00 54.90 N HETATM 1783 C18 XJX A1232 14.308 -2.986 1.412 1.00 62.09 C HETATM 1784 C19 XJX A1232 14.638 -1.795 0.524 1.00 64.75 C HETATM 1785 N20 XJX A1232 15.958 -2.012 -0.141 1.00 66.96 N HETATM 1786 C22 XJX A1232 16.369 -0.825 -0.948 1.00 67.04 C HETATM 1787 C23 XJX A1232 15.912 -3.253 -0.973 1.00 63.79 C HETATM 1788 C24 XJX A1232 15.599 -4.453 -0.093 1.00 59.84 C HETATM 1789 C25 XJX A1232 14.282 -4.834 3.941 1.00 22.06 C HETATM 1790 C26 XJX A1232 15.019 -4.810 5.112 1.00 12.57 C HETATM 1791 C27 XJX A1232 14.667 -4.183 6.433 1.00 12.00 C HETATM 1792 C28 XJX A1232 13.715 -4.685 10.039 1.00 11.17 C HETATM 1793 O29 XJX A1232 13.937 -6.030 10.185 1.00 12.20 O HETATM 1794 C30 XJX A1232 12.626 -4.073 10.659 1.00 12.43 C HETATM 1795 C31 XJX A1232 12.417 -2.711 10.512 1.00 10.77 C HETATM 1796 O32 XJX A1232 11.320 -2.163 11.117 1.00 13.22 O HETATM 1797 O HOH A2001 37.735 7.874 34.248 1.00 50.95 O HETATM 1798 O HOH A2002 23.812 11.740 21.660 1.00 31.84 O HETATM 1799 O HOH A2003 24.908 16.034 9.888 1.00 44.12 O HETATM 1800 O HOH A2004 21.616 14.288 5.980 1.00 26.25 O HETATM 1801 O HOH A2005 24.044 14.576 8.478 1.00 31.18 O HETATM 1802 O HOH A2006 17.053 17.570 9.466 1.00 18.04 O HETATM 1803 O HOH A2007 13.498 13.761 -1.524 1.00 34.36 O HETATM 1804 O HOH A2008 -6.014 2.712 7.110 1.00 32.25 O HETATM 1805 O HOH A2009 11.676 17.084 11.496 1.00 22.55 O HETATM 1806 O HOH A2010 5.436 20.924 5.062 1.00 31.93 O HETATM 1807 O HOH A2011 6.691 20.068 7.516 1.00 21.79 O HETATM 1808 O HOH A2012 4.066 -11.006 3.353 1.00 36.45 O HETATM 1809 O HOH A2013 5.619 -10.325 1.562 1.00 46.07 O HETATM 1810 O HOH A2014 5.237 20.630 9.861 1.00 27.64 O HETATM 1811 O HOH A2015 0.087 12.710 13.696 1.00 37.25 O HETATM 1812 O HOH A2016 25.852 -26.098 -0.884 1.00 37.40 O HETATM 1813 O HOH A2017 -3.985 18.966 12.399 1.00 34.12 O HETATM 1814 O HOH A2018 -5.487 9.700 15.009 1.00 27.37 O HETATM 1815 O HOH A2019 -1.124 17.085 5.922 1.00 39.74 O HETATM 1816 O HOH A2020 -4.840 9.388 7.664 1.00 29.09 O HETATM 1817 O HOH A2021 -6.208 12.004 8.164 1.00 27.42 O HETATM 1818 O HOH A2022 -10.162 10.618 13.075 1.00 24.86 O HETATM 1819 O HOH A2023 12.754 -13.574 23.230 1.00 44.36 O HETATM 1820 O HOH A2024 13.713 -17.354 20.891 1.00 47.12 O HETATM 1821 O HOH A2025 8.604 -18.484 17.286 1.00 35.37 O HETATM 1822 O HOH A2026 -7.912 3.001 11.650 1.00 34.98 O HETATM 1823 O HOH A2027 -1.409 -3.592 34.078 1.00 48.33 O HETATM 1824 O HOH A2028 1.572 -6.152 28.943 1.00 35.16 O HETATM 1825 O HOH A2029 -1.226 -2.106 11.181 1.00 21.22 O HETATM 1826 O HOH A2030 -7.022 1.523 9.287 1.00 37.88 O HETATM 1827 O HOH A2031 -6.046 3.779 13.641 1.00 22.17 O HETATM 1828 O HOH A2032 2.328 -6.100 7.697 1.00 16.38 O HETATM 1829 O HOH A2033 28.514 -1.842 4.416 1.00 28.85 O HETATM 1830 O HOH A2034 26.628 -4.753 2.782 1.00 32.07 O HETATM 1831 O HOH A2035 20.294 -6.745 3.194 1.00 28.25 O HETATM 1832 O HOH A2036 7.487 -0.204 5.715 1.00 34.25 O HETATM 1833 O HOH A2037 3.060 -2.242 4.758 1.00 36.50 O HETATM 1834 O HOH A2038 5.397 -0.629 3.352 1.00 31.83 O HETATM 1835 O HOH A2039 9.365 -0.109 10.022 1.00 27.24 O HETATM 1836 O HOH A2040 10.553 1.573 5.900 1.00 42.04 O HETATM 1837 O HOH A2041 5.851 -12.798 4.559 1.00 29.34 O HETATM 1838 O HOH A2042 13.422 -9.342 1.040 1.00 21.09 O HETATM 1839 O HOH A2043 10.919 -3.265 3.425 1.00 33.94 O HETATM 1840 O HOH A2044 6.392 -7.102 2.941 1.00 39.38 O HETATM 1841 O HOH A2045 7.347 -14.043 3.070 1.00 31.14 O HETATM 1842 O HOH A2046 11.094 -10.186 0.140 1.00 27.77 O HETATM 1843 O HOH A2047 8.114 -9.969 2.988 1.00 23.19 O HETATM 1844 O HOH A2048 19.145 -10.306 -2.270 1.00 43.97 O HETATM 1845 O HOH A2049 11.707 -20.560 8.428 1.00 24.70 O HETATM 1846 O HOH A2050 13.589 -20.618 6.356 1.00 17.76 O HETATM 1847 O HOH A2051 8.570 -19.247 8.074 1.00 29.58 O HETATM 1848 O HOH A2052 8.719 -17.951 0.513 1.00 43.19 O HETATM 1849 O HOH A2053 16.223 -20.080 6.760 1.00 16.80 O HETATM 1850 O HOH A2054 19.466 -23.713 3.247 1.00 17.66 O HETATM 1851 O HOH A2055 19.111 -24.918 -0.326 1.00 20.03 O HETATM 1852 O HOH A2056 22.626 -24.817 -1.328 1.00 28.14 O HETATM 1853 O HOH A2057 25.498 -23.679 -1.501 1.00 37.13 O HETATM 1854 O HOH A2058 24.100 -22.475 10.409 1.00 31.25 O HETATM 1855 O HOH A2059 24.173 -16.616 0.534 1.00 19.80 O HETATM 1856 O HOH A2060 23.307 -20.861 16.028 1.00 31.37 O HETATM 1857 O HOH A2061 24.201 -23.185 16.484 1.00 34.65 O HETATM 1858 O HOH A2062 15.957 -20.982 9.459 1.00 16.70 O HETATM 1859 O HOH A2063 19.659 -20.191 16.900 1.00 33.42 O HETATM 1860 O HOH A2064 12.127 -21.833 12.507 1.00 47.00 O HETATM 1861 O HOH A2065 10.264 -20.045 12.623 1.00 31.35 O HETATM 1862 O HOH A2066 17.251 -16.462 15.352 1.00 26.30 O HETATM 1863 O HOH A2067 9.739 -19.420 10.515 1.00 26.63 O HETATM 1864 O HOH A2068 13.147 -20.753 10.864 1.00 15.73 O HETATM 1865 O HOH A2069 11.733 -15.545 21.311 1.00 34.92 O HETATM 1866 O HOH A2070 9.230 -16.339 20.119 1.00 36.73 O HETATM 1867 O HOH A2071 12.756 -11.023 21.842 1.00 21.99 O HETATM 1868 O HOH A2072 -10.162 -8.422 11.036 1.00 38.91 O HETATM 1869 O HOH A2073 7.202 -6.012 28.250 1.00 39.87 O HETATM 1870 O HOH A2074 9.964 -4.284 27.032 1.00 34.32 O HETATM 1871 O HOH A2075 3.395 -4.650 30.475 1.00 28.46 O HETATM 1872 O HOH A2076 -1.803 -4.627 31.542 1.00 51.12 O HETATM 1873 O HOH A2077 4.425 -4.331 37.578 1.00 41.76 O HETATM 1874 O HOH A2078 12.815 0.644 30.575 1.00 41.70 O HETATM 1875 O HOH A2079 10.331 5.303 29.743 1.00 39.78 O HETATM 1876 O HOH A2080 2.957 -20.106 38.895 1.00 37.91 O HETATM 1877 O HOH A2081 8.557 -2.852 24.732 1.00 15.15 O HETATM 1878 O HOH A2082 12.423 -3.106 24.400 1.00 25.23 O HETATM 1879 O HOH A2083 11.906 -5.126 14.114 1.00 12.22 O HETATM 1880 O HOH A2084 16.414 -7.767 10.341 1.00 11.71 O HETATM 1881 O HOH A2085 23.009 -10.723 8.317 1.00 18.39 O HETATM 1882 O HOH A2086 28.657 -0.253 6.729 1.00 17.99 O HETATM 1883 O HOH A2087 25.601 -2.362 3.293 1.00 27.34 O HETATM 1884 O HOH A2088 23.459 -5.026 3.566 1.00 27.19 O HETATM 1885 O HOH A2089 20.253 -4.833 5.312 1.00 17.38 O HETATM 1886 O HOH A2090 24.491 8.259 2.795 1.00 23.04 O HETATM 1887 O HOH A2091 18.727 -2.628 4.381 1.00 20.30 O HETATM 1888 O HOH A2092 13.388 3.578 5.331 1.00 38.63 O HETATM 1889 O HOH A2093 18.545 2.888 0.595 1.00 32.64 O HETATM 1890 O HOH A2094 16.623 -1.377 5.749 1.00 29.06 O HETATM 1891 O HOH A2095 21.005 15.046 2.753 1.00 36.54 O HETATM 1892 O HOH A2096 25.065 12.957 5.737 1.00 37.28 O HETATM 1893 O HOH A2097 17.468 8.102 4.065 1.00 16.45 O HETATM 1894 O HOH A2098 17.333 6.524 -1.078 1.00 23.68 O HETATM 1895 O HOH A2099 20.758 13.218 -0.258 1.00 26.60 O HETATM 1896 O HOH A2100 18.803 9.256 -2.627 1.00 36.45 O HETATM 1897 O HOH A2101 15.115 6.001 -2.491 1.00 29.85 O HETATM 1898 O HOH A2102 8.851 12.416 -4.592 1.00 32.13 O HETATM 1899 O HOH A2103 10.961 6.990 -1.525 1.00 34.96 O HETATM 1900 O HOH A2104 13.633 12.514 0.743 1.00 20.75 O HETATM 1901 O HOH A2105 11.386 13.154 -2.863 1.00 28.31 O HETATM 1902 O HOH A2106 1.392 20.520 -1.592 1.00 39.29 O HETATM 1903 O HOH A2107 -3.759 13.723 4.853 1.00 32.23 O HETATM 1904 O HOH A2108 -5.448 8.008 0.146 1.00 42.59 O HETATM 1905 O HOH A2109 -8.158 10.852 6.557 1.00 29.81 O HETATM 1906 O HOH A2110 -4.353 4.687 7.494 1.00 29.01 O HETATM 1907 O HOH A2111 -5.553 0.759 5.650 1.00 43.52 O HETATM 1908 O HOH A2112 9.250 1.393 -1.790 1.00 47.01 O HETATM 1909 O HOH A2113 7.920 2.171 2.829 1.00 22.76 O HETATM 1910 O HOH A2114 8.429 1.972 11.486 1.00 28.06 O HETATM 1911 O HOH A2115 10.924 3.677 5.131 1.00 24.07 O HETATM 1912 O HOH A2116 14.959 7.499 5.292 1.00 19.82 O HETATM 1913 O HOH A2117 5.916 2.249 11.813 1.00 24.91 O HETATM 1914 O HOH A2118 6.343 11.716 17.459 1.00 33.40 O HETATM 1915 O HOH A2119 9.386 13.610 19.841 1.00 34.27 O HETATM 1916 O HOH A2120 15.034 3.011 23.798 1.00 33.84 O HETATM 1917 O HOH A2121 28.372 -11.813 14.696 1.00 34.05 O HETATM 1918 O HOH A2122 22.349 -7.726 3.538 1.00 33.46 O HETATM 1919 O HOH A2123 24.393 -12.121 5.949 1.00 11.36 O HETATM 1920 O HOH A2124 28.163 -9.723 4.951 1.00 46.22 O HETATM 1921 O HOH A2125 28.674 -12.413 11.836 1.00 44.92 O HETATM 1922 O HOH A2126 33.280 -1.643 17.101 1.00 29.13 O HETATM 1923 O HOH A2127 25.184 -4.699 11.860 1.00 14.81 O HETATM 1924 O HOH A2128 32.345 -3.800 11.145 1.00 30.10 O HETATM 1925 O HOH A2129 33.605 -2.066 12.742 1.00 34.30 O HETATM 1926 O HOH A2130 28.295 -6.468 18.038 1.00 24.54 O HETATM 1927 O HOH A2131 26.402 -7.294 19.793 1.00 38.54 O HETATM 1928 O HOH A2132 28.505 -3.052 18.531 1.00 24.31 O HETATM 1929 O HOH A2133 31.586 -0.037 12.945 1.00 26.04 O HETATM 1930 O HOH A2134 18.806 11.006 18.980 1.00 36.56 O HETATM 1931 O HOH A2135 20.767 5.395 21.296 1.00 30.17 O HETATM 1932 O HOH A2136 16.072 13.492 17.906 1.00 16.29 O HETATM 1933 O HOH A2137 16.551 10.817 20.734 1.00 22.84 O HETATM 1934 O HOH A2138 16.831 18.527 17.046 1.00 31.48 O HETATM 1935 O HOH A2139 9.992 17.196 13.813 1.00 22.02 O HETATM 1936 O HOH A2140 12.958 14.943 12.305 1.00 16.01 O HETATM 1937 O HOH A2141 21.630 17.364 17.399 1.00 44.61 O HETATM 1938 O HOH A2142 19.215 13.203 17.972 1.00 19.23 O HETATM 1939 O HOH A2143 21.859 6.060 18.978 1.00 18.84 O HETATM 1940 O HOH A2144 28.283 4.897 15.119 1.00 28.93 O HETATM 1941 O HOH A2145 18.663 0.764 23.806 1.00 52.66 O HETATM 1942 O HOH A2146 32.102 2.045 20.186 1.00 24.01 O HETATM 1943 O HOH A2147 20.840 -2.709 22.959 1.00 44.49 O HETATM 1944 O HOH A2148 18.490 -5.429 28.354 1.00 43.28 O HETATM 1945 O HOH A2149 13.935 -8.932 22.888 1.00 42.38 O HETATM 1946 O HOH A2150 18.721 -14.696 17.680 1.00 40.92 O HETATM 1947 O HOH A2151 16.587 -11.546 18.655 1.00 30.30 O HETATM 1948 O HOH A2152 24.868 -11.292 13.066 1.00 18.20 O HETATM 1949 O HOH A2153 26.073 -12.298 16.135 1.00 31.69 O HETATM 1950 O HOH A2154 19.082 -13.985 15.367 1.00 20.43 O HETATM 1951 O HOH A2155 17.109 -10.336 16.732 1.00 19.62 O HETATM 1952 O HOH A2156 -3.879 14.354 22.127 1.00 18.59 O HETATM 1953 O HOH A2157 0.452 12.485 22.968 1.00 41.59 O HETATM 1954 O HOH A2158 -0.788 12.008 18.531 1.00 41.58 O HETATM 1955 O HOH A2159 -3.898 10.601 16.992 1.00 27.35 O HETATM 1956 O HOH A2160 -2.724 1.085 27.375 1.00 33.91 O HETATM 1957 O HOH A2161 -4.377 5.486 23.008 1.00 28.38 O HETATM 1958 O HOH A2162 -4.223 5.965 17.035 1.00 22.73 O HETATM 1959 O HOH A2163 0.012 -5.396 27.170 1.00 34.37 O HETATM 1960 O HOH A2164 -5.627 -4.597 29.913 1.00 51.84 O HETATM 1961 O HOH A2165 -3.235 -8.744 28.028 1.00 31.92 O HETATM 1962 O HOH A2166 -3.035 -5.962 27.465 1.00 27.71 O HETATM 1963 O HOH A2167 -13.200 -8.363 23.231 1.00 29.00 O HETATM 1964 O HOH A2168 -9.074 -7.634 13.514 1.00 30.26 O HETATM 1965 O HOH A2169 -13.473 -3.145 18.678 1.00 29.61 O HETATM 1966 O HOH A2170 -0.728 -4.748 11.583 1.00 20.19 O HETATM 1967 O HOH A2171 -1.705 -7.832 4.907 1.00 30.04 O HETATM 1968 O HOH A2172 -0.438 -12.799 10.893 1.00 38.53 O HETATM 1969 O HOH A2173 -9.611 -9.157 8.638 1.00 34.56 O HETATM 1970 O HOH A2174 0.087 -9.210 5.119 1.00 28.49 O HETATM 1971 O HOH A2175 1.307 -11.215 3.680 1.00 35.43 O HETATM 1972 O HOH A2176 7.474 -17.921 5.131 1.00 29.21 O HETATM 1973 O HOH A2177 2.413 -15.356 11.202 1.00 31.35 O HETATM 1974 O HOH A2178 7.494 -15.568 17.031 1.00 18.18 O HETATM 1975 O HOH A2179 3.853 -7.749 27.367 1.00 29.30 O HETATM 1976 O HOH A2180 3.166 -4.031 33.356 1.00 36.32 O HETATM 1977 O HOH A2181 -0.427 -6.733 31.126 1.00 35.25 O HETATM 1978 O HOH A2182 1.441 -7.363 35.713 1.00 33.57 O HETATM 1979 O HOH A2183 0.548 -5.685 33.697 1.00 41.41 O HETATM 1980 O HOH A2184 4.692 -5.044 35.113 1.00 36.72 O HETATM 1981 O HOH A2185 -0.662 -8.219 28.515 1.00 35.58 O HETATM 1982 O HOH A2186 -4.768 -13.561 33.488 1.00 15.98 O HETATM 1983 O HOH A2187 3.464 -17.830 34.658 1.00 31.97 O HETATM 1984 O HOH A2188 -0.040 -9.582 40.091 1.00 31.24 O HETATM 1985 O HOH A2189 5.459 -13.570 38.653 1.00 22.54 O HETATM 1986 O HOH A2190 4.565 -18.562 41.315 1.00 27.94 O HETATM 1987 O HOH A2191 0.644 -16.071 39.435 1.00 29.11 O HETATM 1988 O HOH A2192 -0.414 -14.253 42.619 1.00 32.86 O HETATM 1989 O HOH A2193 2.664 -7.187 46.472 1.00 39.29 O HETATM 1990 O HOH A2194 1.746 -16.471 43.648 1.00 28.26 O HETATM 1991 O HOH A2195 2.387 -15.739 49.334 1.00 27.40 O HETATM 1992 O HOH A2196 2.092 -17.762 45.874 1.00 38.94 O HETATM 1993 O HOH A2197 5.310 -8.023 47.649 1.00 33.44 O HETATM 1994 O HOH A2198 9.955 -3.764 12.525 1.00 12.92 O CONECT 1767 1768 CONECT 1768 1767 1769 1770 CONECT 1769 1768 CONECT 1770 1768 1771 1795 CONECT 1771 1770 1772 CONECT 1772 1771 1773 1792 CONECT 1773 1772 1774 1775 CONECT 1774 1773 CONECT 1775 1773 1776 1791 CONECT 1776 1775 1777 CONECT 1777 1776 1778 1790 CONECT 1778 1777 1779 CONECT 1779 1778 1780 CONECT 1780 1779 1781 1789 CONECT 1781 1780 1782 CONECT 1782 1781 1783 1788 CONECT 1783 1782 1784 CONECT 1784 1783 1785 CONECT 1785 1784 1786 1787 CONECT 1786 1785 CONECT 1787 1785 1788 CONECT 1788 1782 1787 CONECT 1789 1780 1790 CONECT 1790 1777 1789 1791 CONECT 1791 1775 1790 CONECT 1792 1772 1793 1794 CONECT 1793 1792 CONECT 1794 1792 1795 CONECT 1795 1770 1794 1796 CONECT 1796 1795 MASTER 451 0 1 11 8 0 4 6 1993 1 30 20 END pA@rt܏ٓ@}ŵu'H9b2e7743-e8e5-4d5b-88d4-61261ed54544@0b \@QON JHEAT SHOCK PROTEIN HSP 90-ALPHA1[NH2]CCOCCCNCCOCCSCNCCOCCC[O]ONCCOCCCO[O]NCCOCCCO[O]NCCOCCC[O]ONCCOCCCNCCOCCCO[O]NCCOCOCNCCOCccccccNCCOCNCCOCccccccNCCOCCCONNCCOCNCCOCCC[O]ONCCOCCCCNCCOCNCCOCCCONNCCOCCCCNCCOCCSCNCCOCONCCOCCCCNCCOCCCCNCCOCCCCNCCOCCONNCCOCOCNCCOCccccccNCCOCccccccONCCOCONCCOCCONNCCOCCCC[NH3]NCCOCCCO[O]NCCOCCCCNCCOCccccccNCCOCCCCNCCOCCCNCN[NH2]NCCOCCC[O]ONCCOCCCCNCCOCCCCNCCOCONCCOCCONNCCOCONCCOCONCCOCCO[O]NCCOCNCCOCCCCNCCOCC[O]ONCCOCCCC[NH3]NCCOCCCCNCCOCCCNCN[NH2]NCCOCccccccONCCOCCCO[O]NCCOCONCCOCCCCNCCOCOCNCCOCCO[O]NCCOCCCNCCOCONCCOCCCC[NH3]NCCOCCCCNCCOCC[O]ONCCOCONCCONCCOCCCC[NH3]NCCOCCCO[O]NCCOCCCCNCCOCc[nH]ccnNCCOCCCCNCCOCCONNCCOCCCCNCCOCCCCNCCOCCCNCCOCCONNCCOCCCC[NH3]NCCOCCCONNCCOCCO[O]NCCOCCCNCN[NH2]NCCOCOCNCCOCCCCNCCOCOCNCCOCCCCNCCOCCCNCCOCC[O]ONCCOCOCNCCONCCOCCCCNCCONCCOCCSCNCCOCOCNCCOCCCC[NH3]NCCOCNCCOCCO[O]NCCOCCCCNCCOCCCCNCCOCCONNCCOCCONNCCOCCCCNCCONCCOCOCNCCOCCCCNCCOCNCCOCCCC[NH3]NCCOCONCCONCCOCOCNCCOCCCC[NH3]NCCOCNCCOCccccccNCCOCCSCNCCOCCCO[O]NCCOCNCCOCCCCNCCOCCCONNCCOCNCCONCCOCNCCOCC[O]ONCCOCCCCNCCOCONCCOCCSCNCCOCCCCNCCONCCOCCCONNCCOCccccccNCCONCCOCCCNCCONCCOCccccccNCCOCccccccONCCOCONCCOCNCCOCccccccONCCOCCCCNCCOCCCNCCOCNCCOCCC[O]ONCCOCCCC[NH3]NCCOCCCNCCOCOCNCCOCCCNCCOCCCCNCCOCOCNCCOCCCC[NH3]NCCOCc[nH]ccnNCCOCCONNCCOCCO[O]NCCOCCO[O]NCCOCCCO[O]NCCOCCCONNCCOCccccccONCCOCNCCOCccc[nH]cccccNCCOCCC[O]ONCCOCONCCOCONCCOCNCCONCCONCCOCONCCOCccccccNCCOCOCNCCOCCCNCCOCCCNCN[NH2]NCCOCOCNCCOCC[O]ONCCOCOCNCCONCCOCCC[O]ONCCOCCCNCCOCCSCNCCONCCOCCCNCN[NH2]NCCONCCOCOCNCCOCCCC[NH3]NCCOCCCNCCOCCCCNCCOCCCCNCCOCc[nH]ccnNCCOCCCCNCCOCCCC[NH3]NCCOCCCO[O]NCCOCCO[O]NCCOCCCONNCCOCOCNCCOCCCO[O]NCCOCccccccONCCOCCCCNCCOCCC[O]ONCCOCCCO[O]NCCOCCCNC[NH2]NNCCOCCCNC[NH2]NNCCOCCCCNCCOCCCC[NH3]NCCOCCC[O]ONCCOCCCCNCCOCCCNCCOCCCC[NH3]NCCOCCCC[NH3]NCCOCc[nH]ccnNCCOCONCCOCCCONNCCOCccccccNCCOCCCCNCCONCCOCccccccONCCOCCCNCCOCCCCNCCOCOCNCCOCCCCNCCOCccccccNCCOCCCNCCOCCC[O]ONCCOCCCC[NH3]NCCOCCC[O]ONCCOCCCNCN[NH2]NCCOCCO[O]NCCOCCCC[NH3]NCCOCCC[O]ONCCOCCCNCCOCOl       ! "!#"%"$#*#&%'&(')'+*,+.+-,3,/.0/102043547465:58797;:<;>;=<C<?>@?A@B@DCEDGDFEJEHGIGKJLKNKMLULONPOQORPSQTRTSVUWVYVXWZW[Z\[^[]\e\_^`_a_b`cadbdcfegfifhgngjikjlkmkonporoqpsptsutwtvu|uxwyxzy{y}|}~}~~        ! "!#"%"$#,#&%'&(')(*)+)-,.-0-/.5.1021324265769687=7:9;:<:>=?>A>@?E?BACADBFEIFHGFGKGJILKMLOLNMSMPOQPRPTSUTWTVUYUXWZY[Z]Z\[_[^]`_a`c`bagadcedfdhgihkhjilimlnmpmontnqprqsqutvuxuwv|vyxzy{y}|~}}~~Ÿ¢¢           "! & #"$"%#'&('*')(.(+*,+-+/.0/2/10603243537687:798>8;:<:=;?>D>@?B?A@E@CBDCFEGFIFHGMGJIKJLJNMONQNPOVORQSRTSUTWVXWZWYX_X[Z\[]\^\`_a`c`bagadcedfdhgihkhjirilkmlnmonpoqosrtsvsutytwvxvzy{z}z|{{~}~~         $ ! "!#"%$&%(%'&*&)(+*,+-,.,/.0/2/1050324265769687>7:9;:<;=<?>@?B?A@C@DCEDGDFENEHGIHJHKILJMKMLONPOROQPVPSRTSUTWVXWZWYX_X[Z\[]\^\`_a`c`badaedfehegflfihjikimlnmpmonunqprqsrtrvuwvyvxwzw{z|{}|~|~½        $ ! "!#"%$&%(%'&+&)(*(,+-,/,.-2-0/1/32436354947686:9;:=:<;A;>=?=@>BACBEBDCHCFEGEIHJILIKJQJMLNMONPORQSRURTS[SVUWVXVYWZXZY\[]\_\^]c]`_a`b`dcedgdfekehgihjhlkmlolnmsmpoqprptsutwtvu|uxwyxzy{y}|~}}~~Œ ££          " ! #"$#%$&$'&('*')(1(+*,+-,.-/.0.2132435365769687<7:9;9=<>=@=?>E>A@BACBDCFEGFIFHGLGJIKIMLNMPMONTNQPRPSQUTVUXUWV\VYXZY[Y]\^]`]_^f^a`bacadbecedgfhgjgihnhkjlkmkonporoqpwpsrtsutvuxwyx{xzyy|{}|~}}¨««         " !! #"$#&#%$($'&)(*),)+*1*-,.-/.0.21325243<365768697:8;9;:=<>=@=?>D>A@B@CAEDFEGFHFIHJILIKJTJMLNMOMPNQORPRQSRUTZTVUXUWV[VYXZY\[]\_\^]c]`_a_b`dcedgdfejehgigkjlknkmlrlonpoqosrtsvsut}twvxwywzx{y|z|{~}~~ N CA C O CB CG CD N CA C O CB CG SD CE N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG1 CG2 N CA C O CB CG CD OE1 OE2 N CA C O CB OG1 CG2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB CG CD OE1 NE2 N CA C O CB N CA C O CB CG CD OE1 OE2 N CA C O CB CG1 CG2 CD1 N CA C O CB N CA C O CB CG CD OE1 NE2 N CA C O CB CG CD1 CD2 N CA C O CB CG SD CE N CA C O CB OG N CA C O CB CG CD1 CD2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG1 CG2 CD1 N CA C O CB CG OD1 ND2 N CA C O CB OG1 CG2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH N CA C O CB OG N CA C O CB CG OD1 ND2 N CA C O CB CG CD CE NZ N CA C O CB CG CD OE1 OE2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB CG CD1 CD2 N CA C O CB CG CD NE CZ NH1 NH2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD1 CD2 N CA C O CB CG1 CG2 CD1 N CA C O CB OG N CA C O CB CG OD1 ND2 N CA C O CB OG N CA C O CB OG N CA C O CB CG OD1 OD2 N CA C O CB N CA C O CB CG CD1 CD2 N CA C O CB CG OD1 OD2 N CA C O CB CG CD CE NZ N CA C O CB CG1 CG2 CD1 N CA C O CB CG CD NE CZ NH1 NH2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH N CA C O CB CG CD OE1 OE2 N CA C O CB OG N CA C O CB CG CD1 CD2 N CA C O CB OG1 CG2 N CA C O CB CG OD1 OD2 N CA C O CB CG CD N CA C O CB OG N CA C O CB CG CD CE NZ N CA C O CB CG CD1 CD2 N CA C O CB CG OD1 OD2 N CA C O CB OG N CA C O N CA C O CB CG CD CE NZ N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD1 CD2 N CA C O CB CG ND1 CD2 CE1 NE2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG OD1 ND2 N CA C O CB CG CD1 CD2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG CD N CA C O CB CG OD1 ND2 N CA C O CB CG CD CE NZ N CA C O CB CG CD OE1 NE2 N CA C O CB CG OD1 OD2 N CA C O CB CG CD NE CZ NH1 NH2 N CA C O CB OG1 CG2 N CA C O CB CG CD1 CD2 N CA C O CB OG1 CG2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG1 CG2 N CA C O CB CG OD1 OD2 N CA C O CB OG1 CG2 N CA C O N CA C O CB CG1 CG2 CD1 N CA C O N CA C O CB CG SD CE N CA C O CB OG1 CG2 N CA C O CB CG CD CE NZ N CA C O CB N CA C O CB CG OD1 OD2 N CA C O CB CG CD1 CD2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG OD1 ND2 N CA C O CB CG OD1 ND2 N CA C O CB CG CD1 CD2 N CA C O N CA C O CB OG1 CG2 N CA C O CB CG1 CG2 CD1 N CA C O CB N CA C O CB CG CD CE NZ N CA C O CB OG N CA C O N CA C O CB OG1 CG2 N CA C O CB CG CD CE NZ N CA C O CB N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB CG SD CE N CA C O CB CG CD OE1 OE2 N CA C O CB N CA C O CB CG CD1 CD2 N CA C O CB CG CD OE1 NE2 N CA C O CB N CA C O N CA C O CB N CA C O CB CG OD1 OD2 N CA C O CB CG1 CG2 CD1 N CA C O CB OG N CA C O CB CG SD CE N CA C O CB CG1 CG2 CD1 N CA C O N CA C O CB CG CD OE1 NE2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O N CA C O CB CG1 CG2 N CA C O N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH N CA C O CB OG N CA C O CB N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH N CA C O CB CG CD1 CD2 N CA C O CB CG1 CG2 N CA C O CB N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD CE NZ N CA C O CB CG1 CG2 N CA C O CB OG1 CG2 N CA C O CB CG1 CG2 N CA C O CB CG1 CG2 CD1 N CA C O CB OG1 CG2 N CA C O CB CG CD CE NZ N CA C O CB CG ND1 CD2 CE1 NE2 N CA C O CB CG OD1 ND2 N CA C O CB CG OD1 OD2 N CA C O CB CG OD1 OD2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD OE1 NE2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH N CA C O CB N CA C O CB CG CD1 CD2 NE1 CE2 CE3 CZ2 CZ3 CH2 N CA C O CB CG CD OE1 OE2 N CA C O CB OG N CA C O CB OG N CA C O CB N CA C O N CA C O N CA C O CB OG N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB OG1 CG2 N CA C O CB CG1 CG2 N CA C O CB CG CD NE CZ NH1 NH2 N CA C O CB OG1 CG2 N CA C O CB CG OD1 OD2 N CA C O CB OG1 CG2 N CA C O N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD N CA C O CB CG SD CE N CA C O N CA C O CB CG CD NE CZ NH1 NH2 N CA C O N CA C O CB OG1 CG2 N CA C O CB CG CD CE NZ N CA C O CB CG1 CG2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG CD1 CD2 N CA C O CB CG ND1 CD2 CE1 NE2 N CA C O CB CG CD1 CD2 N CA C O CB CG CD CE NZ N CA C O CB CG CD OE1 OE2 N CA C O CB CG OD1 OD2 N CA C O CB CG CD OE1 NE2 N CA C O CB OG1 CG2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH N CA C O CB CG CD1 CD2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD NE CZ NH1 NH2 N CA C O CB CG CD NE CZ NH1 NH2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG CD CE NZ N CA C O CB CG CD OE1 OE2 N CA C O CB CG1 CG2 CD1 N CA C O CB CG1 CG2 N CA C O CB CG CD CE NZ N CA C O CB CG CD CE NZ N CA C O CB CG ND1 CD2 CE1 NE2 N CA C O CB OG N CA C O CB CG CD OE1 NE2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB CG1 CG2 CD1 N CA C O N CA C O CB CG CD1 CD2 CE1 CE2 CZ OH N CA C O CB CG CD N CA C O CB CG1 CG2 CD1 N CA C O CB OG1 CG2 N CA C O CB CG CD1 CD2 N CA C O CB CG CD1 CD2 CE1 CE2 CZ N CA C O CB CG1 CG2 N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD CE NZ N CA C O CB CG CD OE1 OE2 N CA C O CB CG CD NE CZ NH1 NH2 N CA C O CB CG OD1 OD2 N CA C O CB CG CD CE NZ N CA C O CB CG CD OE1 OE2 N CA C O CB CG1 CG2 N CA C O CB OG OEMolResidueV2?PRO?RTB  AA PRO?33TB  AA PRO?kB  AA PRO?oB  AA PRO?{\B  AA PRO?{tB  AA PRO?RbB  AA MET?)\bB  AA MET?)\_B  AA MET?CB  AA MET? AA GLU?= SA? AA GLU?(\A@ AA GLU?GAA AA GLU?RAB AA GLU?ףAC AA THR?H^AD AA THR?zTAE AA THR? {AF AA THR? wAG AA THR?HAH AA THR?AI AA THR?zAJ AA PHE?RRAK AA PHE?UAL AA PHE?\AM AA PHE?RAN AA PHE?\AO AA PHE?GaAP AA PHE?GAQ AA PHE?HbAR AA PHE?pAS AA PHE?AT AA PHE?uAU AA ALA?paAV AA ALA?ףDAW AA ALA?fffAX AA ALA?33[AY AA ALA?ףTAZ AA PHE?\6A[ AA PHE?Q(A\ AA PHE? KA] AA PHE?RfA^ AA PHE?ף0A_ AA PHE?)\OA` AA PHE?ffnAa AA PHE?pEAb AA PHE?]Ac AA PHE?ffFAd AA PHE?AAe AA GLN?]Af AA GLN?= kAg AA GLN?ffAh AA GLN?kAi AA GLN?z|Aj AA GLN?pAk AA GLN?q=Al AA GLN? ׃Am AA GLN?zAn AA ALA?q=RAo AA ALA?ףhAp AA ALA?)\{Aq AA ALA?ףpAr AA ALA?(lAs AA GLU?eAt AA GLU?q=fAu AA GLU?mAv AA GLU?yAw AA GLU? ׁAx AA GLU?Ay AA GLU?q=0Bz AA GLU?HB{ AA GLU? 6B| AA ILE?z 0AA LEU?{JA0? 0AA LEU?q=A0@ 0AA LEU?QA0A 0AA LEU?zA0B 0AA ILE?AA1C 1AA ILE?)\A1D 1AA ILE? SA1E 1AA ILE?{JA1F 1AA ILE?q=NA1G 1AA ILE?9A1H 1AA ILE?QA1I 1AA ILE?HA1J 1AA SER?OA2K 2AA SER?QA2NA2AA SER?gA2L 2AA SER?ffNA2M 2AA SER? ׅA2OA2AA SER?A2PA2AA ASN?= GA3T 3AA ASN?q=:A3U 3AA ASN?RRA3V 3AA ASN?MA3W 3AA ASN?p)A3X 3AA ASN?A3Y 3AA ASN?(B3Z 3AA ASN?A3[ 3AA SER?p%A4\ 4AA SER?33'A4] 4AA SER?33A4^ 4AA SER?ffA4_ 4AA SER?{:A4` 4AA SER?GMA4a 4AA SER?ף$A5b 5AA SER?$A5c 5AA SER? CA5d 5AA SER?MA5e 5AA SER?uA5f 5AA SER?33A5g 5AA ASP?z(A6h 6AA ASP?R6A6i 6AA ASP?(HA6j 6AA ASP?SA6k 6AA ASP?gA6l 6AA ASP?q=A6m 6AA ASP?QA6n 6AA ASP?= A6o 6AA ALA?q=*A7p 7AA ALA?4A7q 7AA ALA?= WA7r 7AA ALA?MA7s 7AA ALA?8A7t 7AA LEU?H"A8u 8AA LEU?zA8v 8AA LEU?q=ZA8w 8AA LEU?GEA8x 8AA LEU?A8y 8AA LEU?5A8z 8AA LEU? A8{ 8AA LEU?zPA8| 8AA ASP?33CA9} 9AA ASP?p=A9~ 9AA ASP?)\cA9 9AA ASP?HRA9 9AA ASP?ף@A9 9AA ASP?pA9 9AA ASP?q=A9 9AA ASP?q=A9 9AA LYS?9A: :AA LYS?7A: :AA LYS?QhA: :AA LYS?RbA: :AA LYS?\NA: :AA LYS?{A: :AA LYS?A: :AA LYS?q=&B: :AA LYS?RDB: :AA ILE?)A; ;AA ILE?ף A; ;AA ILE?33WA; ;AA ILE?WA; ;AA ILE?MA; ;AA ILE?QlA; ;AA ILE?5A; ;AA ILE?QA; ;AA ARG? A< <AA ARG?( A<A<AA ARG?QHA< <AA ARG?MA< <AA ARG?ףA<A<AA ARG?A<A<AA ARG?(A<A<AA ARG?(lA<A<AA ARG?(B<A<AA ARG?zB<A<AA ARG?q=A<A<AA TYR?33A= =AA TYR?RA= =AA TYR?= ;A= =AA TYR?(A= =AA TYR?A= =AA TYR?9A= =AA TYR?)\WA= =AA TYR?q=VA= =AA TYR?{A= =AA TYR?qA= =AA TYR?33A= =AA TYR?GA= =AA GLU?,A> >AA GLU?0A> >AA GLU?,A> >AA GLU?zLA> >AA GLU?IA> >AA GLU?33kA> >AA GLU?GA> >AA GLU?HA> >AA GLU? A> >AA SER?ff"A? ?AA SER?%A? ?AA SER?‰A? ?AA SER?qA? ?AA SER?{>A? ?AA SER?gA? ?AA LEU?HvA@ @AA LEU?A@ @AA LEU?= A@ @AA LEU?A@ @AA LEU?ff~A@ @AA LEU?ffA@ @AA LEU?GA@ @AA LEU?33A@ @AA THR?ףLAA AAA THR?(LAA AAA THR?(AA AAA THR?q=AA AAA THR?= OAA AAA THR?ffrAA AAA THR?AA AAA ASP?= AB BAA ASP?xAB BAA ASP?33AB BAA ASP?ffnAB BAA ASP?GAB BAA ASP?= AB BAA ASP?q=AB BAA ASP?ףBB BAA PRO?AC CAA PRO?ffAC CAA PRO?ףAC CAA PRO?AC CAA PRO?§AC CAA PRO?ffAC CAA PRO?{AC CAA SER?\AD DAA SER?zAD DAA SER?q=AD DAA SER?(AD DAA SER?q=AD DAA SER?AD DAA LYS?Q|AE EAA LYS?ףlAE EAA LYS?q=nAE EAA LYS?z`AE EAA LYS?{nAE EAA LYS?AE EAA LYS?ff~AE EAA LYS?= AE EAA LYS? BE EAA LEU?pMAF FAA LEU?(`AF FAA LEU?̜AF FAA LEU?ffAF FAA LEU?{^AF FAA LEU?ףAF FAA LEU?pAF FAA LEU?ףhAF FAA ASP?wAG GAA ASP?= sAG GAA ASP?AG GAA ASP?33AG GAA ASP?}AG GAA ASP?RAG GAA ASP?AG GAA ASP?GBG GAA SER?ףpAH HAA SER?HAH HAA SER?AH HAA SER?RAH HAA SER?AH HAA SER?)\AH HAA GLY?)\AI IAA GLY?AI IAA GLY?\AI  IAA GLY?\AI  IAA LYS?ffvAJ  JAA LYS?HrAJ  JAA LYS?\AJ  JAA LYS?ףAJ JAA LYS?\AJ JAA LYS?33AJ JAA LYS?)\BJ JAA LYS?)\$BJ JAA LYS?{,BJ JAA GLU?ffNAK KAA GLU?]AK KAA GLU?AK KAA GLU?GAK KAA GLU?GyAK KAA GLU?\AK KAA GLU?BK KAA GLU?= oBK KAA GLU?HBK KAA LEU?hAL LAA LEU?UAL LAA LEU?pyAL LAA LEU?(xAL  LAA LEU?EAL! LAA LEU?AL" LAA LEU?AL# LAA LEU?kAL$ LAA HIS?)\CAM% MAA HIS?=AM& MAA HIS?aAM' MAA HIS?QAM( MAA HIS?\AM) MAA HIS?pAM* MAA HIS?= AM+ MAA HIS?̶AM, MAA HIS?q=AM- MAA HIS?AM. MAA ILE?LAN/ NAA ILE?Q8AN0 NAA ILE?z|AN1 NAA ILE?{~AN2 NAA ILE?IAN3 NAA ILE?)\SAN4 NAA ILE??AN5 NAA ILE?RNAN6 NAA ASN?HFAO7 OAA ASN?;AO8 OAA ASN?33_AO9 OAA ASN?{JAO: OAA ASN?(dAO; OAA ASN?AO< OAA ASN?AO= OAA ASN?q=AO> OAA LEU?z@AP? PAA LEU?HJAP@ PAA LEU?)\oAPA PAA LEU?DAPB PAA LEU?RZAPC PAA LEU?GAPD PAA LEU?APE PAA LEU?QAPF PAA ILE?)\?AQG QAA ILE?G9AQH QAA ILE?{FAQI QAA ILE?\^AQJ QAA ILE?QxAQK QAA ILE?)\AQL QAA ILE?‹AQM QAA ILE?= AQN QAA PRO?H>ARO RAA PRO?G1ARP RAA PRO?ARQ RAA PRO?RARR RAA PRO?aARS RAA PRO? כART RAA PRO?{ARU RAA ASN?MASV SAA ASN?XASW SAA ASN?ASX SAA ASN?33{ASY SAA ASN?H~ASZ SAA ASN?AS[ SAA ASN?AS\ SAA ASN?HAS] SAA LYS?RAT^ TAA LYS?= AT_ TAA LYS? קAT` TAA LYS?33ATa TAA LYS?RATb TAA LYS?RATc TAA LYS?pBTd TAA LYS?(=BTe TAA LYS?{|BTf TAA GLN?HAUg UAA GLN?AUh UAA GLN?(AUi UAA GLN?AUj UAA GLN?AUk UAA GLN?zAUl UAA GLN?ף'BUm UAA GLN?zAUn UAA GLN?AUo UAA ASP?33AVp VAA ASP?HAVq VAA ASP?AVr VAA ASP?zAVs VAA ASP?AVt VAA ASP?RAVu VAA ASP?QAVv VAA ASP?= AVw VAA ARG?piAWx WAA ARG? [AWy WAA ARG?{AWz WAA ARG?QAW{ WAA ARG?RAW| WAA ARG?(BW} WAA ARG?G,BW~ WAA ARG?ffJBW WAA ARG?BW WAA ARG?(IBW WAA ARG?G:BW WAA THR? ?AX XAA THR?DAX XAA THR?aAX XAA THR?kAX XAA THR?= AX XAA THR?AX XAA THR?H~AX XAA LEU?33/AY YAA LEU?H.AY YAA LEU?= cAY YAA LEU?\FAY YAA LEU?5AY YAA LEU?iAY YAA LEU?33cAY YAA LEU?zAY YAA THR?5AZ ZAA THR?Q0AZ ZAA THR?{jAZ ZAA THR?Q@AZ ZAA THR?AZ ZAA THR? AZ ZAA THR?iAZ ZAA ILE?7A[ [AA ILE??A[ [AA ILE?pqA[ [AA ILE?QA[ [AA ILE?q=~A[ [AA ILE? ףA[ [AA ILE?ffA[ [AA ILE?q=B[ [AA VAL?H6A\ \AA VAL?A\ \AA VAL?ffZA\ \AA VAL?IA\ \AA VAL?QxA\ \AA VAL?GA\ \AA VAL?HA\ \AA ASP?q=*A] ]AA ASP?#A] ]AA ASP?z\A] ]AA ASP?peA] ]AA ASP?TA] ]AA ASP?[A] ]AA ASP?QA] ]AA ASP? SA] ]AA THR?= @^ ^AA THR?)\A^ ^AA THR?q=6A^ ^AA THR?!A^ ^AA THR?ffA^ ^AA THR?G9A^ ^AA THR?mA^ ^AA GLY?A_ _AA GLY?q=A_ _AA GLY?3A_ _AA GLY?,A_ _AA ILE?)\/A` `AA ILE?0A` `AA ILE?IA` `AA ILE?YA` `AA ILE?q=RA` `AA ILE?pA` `AA ILE?QdA` `AA ILE?QA` `AA GLY?(Aa aAA GLY?\"Aa aAA GLY?ff6Aa aAA GLY?)\7Aa aAA MET?Ab bAA MET?Ab bAA MET?QtAb bAA MET?hAb bAA MET?33+Ab bAA MET?ףDAb bAA MET?33wAb bAA MET?= cAb bAA THR?)Ac cAA THR?pIAc cAA THR?gAc cAA THR?iAc cAA THR?q=rAc cAA THR?ףpAc cAA THR?eAc cAA LYS?= 7Ad dAA LYS?{6Ad dAA LYS?UAd dAA LYS?)\_Ad dAA LYS?gAd dAA LYS?)\Ad dAA LYS?Ad dAA LYS?Bd dAA LYS?ףAd dAA ALA?ffJAe eAA ALA?GAe eAA ALA?mAe eAA ALA?dAe eAA ALA?G]Ae eAA ASP?=Af fAA ASP?= ;Af fAA ASP?= sAf fAA ASP?XAf fAA ASP?iAf fAA ASP?ffAf fAA ASP?pAf fAA ASP?ףAf fAA LEU?lAg gAA LEU?(Ag gAA LEU?Ag gAA LEU?33Ag gAA LEU?zAg gAA LEU?pAg gAA LEU?Ag gAA LEU?Ag gAA ILE?z4Ah hAA ILE?= 3Ah hAA ILE?33WAh hAA ILE?̂Ah hAA ILE?YAh hAA ILE?ffjAh hAA ILE? wAh hAA ILE?q=Ah hAA ASN?\&Ai iAA ASN?G5Ai iAA ASN?\^Ai iAA ASN?zpAi iAA ASN?pAi iAA ASN?RAi iAA ASN?{Ai iAA ASN?33{Ai iAA ASN?q=VAj jAA ASN?YAj jAA ASN?Aj jAA ASN?)\Aj jAA ASN?tAj jAA ASN?zAj  jAA ASN?Bj  jAA ASN?Bj  jAA LEU?33KAk  kAA LEU?ףTAk  kAA LEU? ׅAk kAA LEU?\Ak kAA LEU?KAk kAA LEU?R~Ak kAA LEU?)\Ak kAA LEU?pAk kAA GLY?fffAl lAA GLY?QAl lAA GLY?Al lAA GLY? ׏Al lAA THR?= oAm mAA THR?Am mAA THR?q=Am mAA THR?)\Am mAA THR?Am mAA THR?{ Bm mAA THR?pAm mAA ILE?An nAA ILE?pAn  nAA ILE?pAn! nAA ILE?pAn" nAA ILE?An# nAA ILE?­An$ nAA ILE?HAn% nAA ILE?33An& nAA ALA?{Ao' oAA ALA?Ao( oAA ALA?Ao) oAA ALA?(Ao* oAA ALA? ׯAo+ oAA LYS?zAp, pAA LYS?= Ap- pAA LYS?Ap. pAA LYS?Ap/ pAA LYS?(Ap0 pAA LYS? Ap1 pAA LYS?Bp2 pAA LYS?H3Bp3 pAA LYS?ffBp4 pAA SER?\Aq5 qAA SER? ׹Aq6 qAA SER?(Aq7 qAA SER?{Aq8 qAA SER?Aq9 qAA SER?\1Bq: qAA GLY? Ar; rAA GLY?Ar< rAA GLY?Ar= rAA GLY?Ar> rAA THR?±As? sAA THR?As@ sAA THR?µAsA sAA THR?ףAsB sAA THR?AsC sAA THR?RAsD sAA THR?GAsE sAA LYS?33AtF tAA LYS?AtG tAA LYS?ffAtH tAA LYS?AtI tAA LYS?(AtJ tAA LYS?BtK tAA LYS?9BtL tAA LYS?fBtM tAA LYS?ffBtN tAA ALA?ףAuO uAA ALA?ffAuP uAA ALA?±AuQ uAA ALA?RAuR uAA ALA?)\AuS uAA PHE?)\AvT vAA PHE?̌AvU vAA PHE?AvV vAA PHE?̠AvW vAA PHE?)\AvX vAA PHE?AvY vAA PHE?q=AvZ vAA PHE?\Av[ vAA PHE?Av\ vAA PHE?Av] vAA PHE?33Av^ vAA MET?̘Aw_ wAA MET?RAw` wAA MET?QAwa wAA MET?ףAwb wAA MET?zAwc wAA MET?RAwd wAA MET?ףAwe wAA MET?pAwf wAA GLU?RAxg xAA GLU?\Axh xAA GLU?(Axi xAA GLU? Axj xAA GLU?= Axk xAA GLU?{Axl xAA GLU?3Bxm xAA GLU?Q Bxn xAA GLU?Axo xAA ALA?̢Ayp yAA ALA?\Ayq yAA ALA?Ayr yAA ALA?{Ays yAA ALA?(Ayt yAA LEU? ץAzu zAA LEU?)\Azv zAA LEU? Azw zAA LEU?pAzx zAA LEU?Azy zAA LEU?)\Azz zAA LEU?Az{ zAA LEU?ffAz| zAA GLN?)\A{} {AA GLN?ffA{~ {AA GLN?ףB{ {AA GLN?(B{ {AA GLN?q=A{ {AA GLN? B{ {AA GLN?pbB{ {AA GLN?33WB{ {AA GLN?ff@B{ {AA ALA?RB| |AA ALA? B| |AA ALA?Q'B| |AA ALA?)B| |AA ALA?q= B| |AA GLY?B} }AA GLY?= B} }AA GLY?B} }AA GLY?pB} }AA ALA?A~ ~AA ALA?(A~ ~AA ALA?)\A~ ~AA ALA?ffA~ ~AA ALA?A~ ~AA ASP?q=A AA ASP?A AA ASP?q=A AA ASP?q=A AA ASP?= A AA ASP?B AA ASP? B AA ASP? B AA ILE?= A AA ILE?A AA ILE?{A AA ILE?RA AA ILE?ffA AA ILE?)\A AA ILE?(A AA ILE?zA AA SER?= A AA SER?(A AA SER?RA AA SER? ׵A AA SER?zA AA SER?.B AA MET?= A AA MET?A AA MET?ףA AA MET?A AA MET?q=A AA MET?q=B AA MET?(B AA MET?= B AA ILE?A AA ILE?zA AA ILE?RA AA ILE?ףA AA ILE?33A AA ILE?HA AA ILE?̄A AA ILE?A AA GLY?A AA GLY? סA AA GLY?{A AA GLY?33A AA GLN?A AA GLN?ףA AA GLN?zA AA GLN?)\A AA GLN?pA AA GLN?A AA GLN?pLB AA GLN?336B AA GLN?{9B AA PHE?HA AA PHE?A AA PHE?A AA PHE?A AA PHE?GA AA PHE?A AA PHE? A AA PHE?\A AA PHE?q=A AA PHE?A AA PHE?)\A AA GLY?A AA GLY?A AA GLY?A AA GLY?pA AA VAL?33A AA VAL?GA AA VAL?A AA VAL?33A AA VAL?A AA VAL?ףA AA VAL?zA AA GLY?ףA AA GLY?A AA GLY?{vA AA GLY?GeA AA PHE?ף@A AA PHE?CA AA PHE?!A AA PHE?\:A AA PHE?HnA AA PHE?33wA AA PHE?33A AA PHE?zxA AA PHE?A AA PHE?pA AA PHE?zdA AA TYR?A AA TYR?{A AA TYR?1A AA TYR?GAA AA TYR?(A AA TYR?ff.A AA TYR?HA AA TYR?{FA AA TYR?{VA AA TYR?KA AA TYR?(\A AA TYR?mA AA SER? AA THR?aA? AA THR?UA@ AA THR?yAA AA THR?AB AA VAL?{2AC AA VAL?AD AA VAL? OAE AA VAL?IAF AA VAL?zLAG AA VAL?QTAH AA VAL?=AI AA ILE?-AJ AA ILE?QAK AA ILE?HNAL AA ILE?p9AM AA ILE?)\/AN AA ILE?XAO AA ILE?QlAP AA ILE?RAQ AA THR?ff2AR AA THR?HAS AA THR?zHAT AA THR? ;AU AA THR?R:AV AA THR?RzAW AA THR?G5AX AA LYS?7AY AA LYS?q=.AZ AA LYS?eA[ AA LYS?AA\ AA LYS?HRA] AA LYS?‹A^ AA LYS?\A_ AA LYS?(A` AA LYS?Aa AA HIS?q=>Ab AA HIS?(4Ac AA HIS?zxAd AA HIS?]Ae AA HIS?A AA TRP?HVA AA TRP?R2A AA TRP?333A AA TRP?0A AA TRP?G]A AA TRP?Q(A AA TRP?eA AA TRP?HNA AA TRP? A AA TRP?{>A AA TRP?EA AA TRP?ף AA ARG?\BA? AA ARG?ffVA@ AA ARG?= sAA AA ARG?(TAB AA ARG?ףAC AA ARG?HAD AA ARG?GQAE AA GLY?+AF AA GLY?q=AG AA GLY?QdAH AA GLY?ffNAI AA THR?Q0AJ AA THR?\>AK AA THR?q=fAL AA THR?GmAM AA THR?33AN AA THR?ףxAO AA THR?(tAP AA LYS?9AQ AA LYS?Aq AA HIS?ffBAr AA HIS?XAs AA HIS?qAt AA HIS?= {Au AA HIS?̤Av AA HIS?Aw AA HIS?zAx AA HIS?HAy AA HIS?ffAz AA LEU?(DA{ AA LEU?A| AA LEU?33wA} AA LEU?aA~ AA LEU?A AA LEU?`A AA LEU?)\[A AA LEU? [A AA LYS?\RA AA LYS?MA AA LYS?(A AA LYS?)\sA AA LYS?= A AA LYS?(A AA LYS?\A AA LYS?B AA LYS? B AA GLU?pyA AA GLU?A AA GLU?(A AA GLU?QA AA GLU?ףA AA GLU?ף B AA GLU?B AA GLU?B AA GLU?xB AA ASP?yA AA ASP? ׇA AA ASP?A AA ASP?33A AA ASP?̖A AA ASP?{A AA ASP?A AA ASP?zB AA GLN?GA AA GLN?paA AA GLN?A AA GLN?\A AA GLN?A AA GLN?pyA AA GLN?A AA GLN?GA AA GLN?A AA THR?pmA AA THR?GmA AA THR?ףA AA THR?A AA THR?A AA THR?ffA AA THR? ׽A AA GLU?|A AA GLU?̄A AA GLU?A AA GLU?A AA GLU?= A AA GLU?)\A AA GLU?CB AA GLU?(1B AA GLU?q= B AA TYR?eA AA TYR?pMA AA TYR?zA AA TYR?A AA TYR?\bA AA TYR?)\gA AA TYR?= {A AA TYR?puA AA TYR?)\A AA TYR?ffA AA TYR?GA AA TYR?)\A AA LEU?HjA AA LEU?(A AA LEU? ׏A AA LEU?A AA LEU?HA AA LEU?(A AA LEU?—A AA LEU?33A AA GLU?q=jA AA GLU?wA AA GLU?A AA GLU?33A AA GLU?zA AA GLU?= A AA GLU?R9B AA GLU?= KB AA GLU?-B AA GLU?GA AA GLU? wA AA GLU?\A AA GLU?RA AA GLU? ׇA AA GLU?= A AA GLU?( B AA GLU?ףA AA GLU?= ,B AA ARG?A AA ARG?zA AA ARG?A AA ARG?(A AA ARG?= A AA ARG?ffB AA ARG?VB AA ARG?#B AA ARG?33B AA ARG?= mB AA ARG? WB AA ARG?GuA AA ARG?A AA ARG?A AA ARG?A AA ARG?ףA AA ARG?(A AA ARG?(A AA ARG?ףB AA ARG?)\0B AA ARG?B AA ARG?q=A AA ILE?HVA AA ILE? WA AA ILE?ףA AA ILE?̊A AA ILE?HzA AA ILE?q=zA AA ILE?\A AA ILE? יA AA LYS?G}A AA LYS?pA AA LYS?(A AA LYS?}A AA LYS?pA AA LYS?= A AA LYS?{ B AA LYS?PB AA LYS?)\B AA GLU?QA AA GLU?{A AA GLU?©A AA GLU?GA AA GLU?pA AA GLU?B AA GLU?vB  AA GLU?)\B  AA GLU?qB  AA ILE?RA  AA ILE?lA  AA ILE?33A AA ILE?A AA ILE?{A AA ILE?QA AA ILE?RA AA ILE?zA AA VAL?z`A AA VAL?ף|A AA VAL?(A AA VAL?33A AA VAL?QA AA VAL?= A AA VAL?= A AA LYS?™A AA LYS? ׍A AA LYS?¥A AA LYS?ףA AA LYS?q=A AA LYS?q=.B  AA LYS?q=dB! AA LYS?B" AA LYS?33B# AA LYS?pA$ AA LYS?pA% AA LYS?A& AA LYS?33A' AA LYS?\A( AA LYS?)\A) AA LYS?GB* AA LYS?1B+ AA LYS? B, AA HIS?A- AA HIS?(A. AA HIS?A/ AA HIS? ׫A0 AA HIS?A1 AA HIS?«A2 AA HIS?RA3 AA HIS?A4 AA HIS?̲A5 AA HIS?A6 AA SER?A7 AA SER?(A8 AA SER?A9 AA SER?A: AA SER?33A; AA SER?G3B< AA GLN?QA= AA GLN?A> AA GLN?A? AA GLN?A@ AA GLN?AA AA GLN?)\ BB AA GLN?{RBC AA GLN?\DBD AA GLN?BE AA PHE?zAF AA PHE?zAG AA PHE?AH AA PHE?zAI AA PHE?{AJ AA PHE?QAK AA PHE?BL AA PHE?AM AA PHE?)\BN AA PHE? BO AA PHE?ffBP AA ILE?\AQ AA ILE?QAR AA ILE?BS AA ILE?RBT AA ILE?)\AU AA ILE?AV AA ILE?AW AA ILE?BX AA GLY?AY AA GLY?)\AZ AA GLY?A[ AA GLY?)\A\ AA TYR?pA] AA TYR?q=A^ AA TYR?pA_ AA TYR?A` AA TYR?̀Aa AA TYR?`Ab AA TYR?\Ac AA TYR?QAd AA TYR?33cAe AA TYR?QAf AA TYR?Ag AA TYR?{Ah AA PRO?Ai AA PRO?q=vAj AA PRO?ffAk AA PRO?)\Al AA PRO?q=Am AA PRO?An AA PRO?GAo AA ILE?}Ap AA ILE?Aq AA ILE?RAr AA ILE?(As AA ILE?q=At AA ILE?33Au AA ILE?ףAv AA ILE?HAw AA THR?̀Ax AA THR?`Ay AA THR?= Az AA THR?HA{ AA THR?RA| AA THR?= A} AA THR?QA~ AA LEU? GA AA LEU?QA AA LEU?xA AA LEU?uA AA LEU?YA AA LEU?pA AA LEU?RA AA LEU?{A AA PHE?\FA AA PHE?GIA AA PHE?oA AA PHE?A AA PHE?yA AA PHE?q=~A AA PHE?̘A AA PHE?GA AA PHE?zA AA PHE?A AA PHE?A AA VAL?)\OA AA VAL?(dA AA VAL? {A AA VAL?)\kA AA VAL?A AA VAL?QA AA VAL?A AA GLU?ףA AA GLU?A AA GLU?A AA GLU?ffA AA GLU?ffA AA GLU?(A AA GLU?YB AA GLU?= \B AA GLU?p:B AA LYS?A AA LYS?= sA AA LYS?GA AA LYS?GuA AA LYS?33A AA LYS?A AA LYS?A AA LYS?ףB AA LYS?33A AA GLU?ףhA AA GLU?)\kA AA GLU?RA AA GLU?HA AA GLU?ff~A AA GLU?\A AA GLU?+B AA GLU?\CB AA GLU?q=A AA ARG?R~A AA ARG?cA AA ARG?A AA ARG?ףA AA ARG?33A AA ARG?pA AA ARG?A AA ARG?ףA AA ARG?B AA ARG?̢A AA ARG?ffA AA ASP?|A AA ASP?lA AA ASP?A AA ASP? קA AA ASP?q=A AA ASP?A AA ASP?ףA AA ASP?A AA LYS? בA AA LYS?RA AA LYS?)\A AA LYS?A AA LYS?QA AA LYS?GB AA LYS?= B AA LYS?B AA LYS?pIB AA GLU?A AA GLU?QA AA GLU?33A AA GLU?QA AA GLU?)\A AA GLU?A AA GLU?{B AA GLU?RA AA GLU?= A AA VAL?A AA VAL?\A AA VAL?A AA VAL?A AA VAL?A AA VAL?A AA VAL?A AA SER?A AA SER? B AA SER?B AA SER?33B AA SER?ף+B AA SER?)\[B AA fj?PRO?RTB  A PRO?33TB  A PRO?kB  A PRO?oB  A PRO?{\B  A PRO?{tB  A PRO?RbB  A MET?)\bB  A MET?)\_B  A MET?CB  A MET? A GLU?= SA? A GLU?(\A@ A GLU?GAA A GLU?RAB A GLU?ףAC A THR?H^AD A THR?zTAE A THR? {AF A THR? wAG A THR?HAH A THR?AI A THR?zAJ A PHE?RRAK A PHE?UAL A PHE?\AM A PHE?RAN A PHE?\AO A PHE?GaAP A PHE?GAQ A PHE?HbAR A PHE?pAS A PHE?AT A PHE?uAU A ALA?paAV A ALA?ףDAW A ALA?fffAX A ALA?33[AY A ALA?ףTAZ A PHE?\6A[ A PHE?Q(A\ A PHE? KA] A PHE?RfA^ A PHE?ף0A_ A PHE?)\OA` A PHE?ffnAa A PHE?pEAb A PHE?]Ac A PHE?ffFAd A PHE?AAe A GLN?]Af A GLN?= kAg A GLN?ffAh A GLN?kAi A GLN?z|Aj A GLN?pAk A GLN?q=Al A GLN? ׃Am A GLN?zAn A ALA?q=RAo A ALA?ףhAp A ALA?)\{Aq A ALA?ףpAr A ALA?(lAs A GLU?eAt A GLU?q=fAu A GLU?mAv A GLU?yAw A GLU? ׁAx A GLU?Ay A GLU?q=0Bz A GLU?HB{ A GLU? 6B| A ILE?z A LEU?{JA0? A LEU?q=A0@ A LEU?QA0A A LEU?zA0B A ILE?AA1C A ILE?)\A1D A ILE? SA1E A ILE?{JA1F A ILE?q=NA1G A ILE?9A1H A ILE?QA1I A ILE?HA1J A SER?OA2K A SER?QA2NAA SER?gA2L A SER?ffNA2M A SER? ׅA2OAA SER?A2PAA ASN?= GA3T A ASN?q=:A3U A ASN?RRA3V A ASN?MA3W A ASN?p)A3X A ASN?A3Y A ASN?(B3Z A ASN?A3[ A SER?p%A4\ A SER?33'A4] A SER?33A4^ A SER?ffA4_ A SER?{:A4` A SER?GMA4a A SER?ף$A5b A SER?$A5c A SER? CA5d A SER?MA5e A SER?uA5f A SER?33A5g A ASP?z(A6h A ASP?R6A6i A ASP?(HA6j A ASP?SA6k A ASP?gA6l A ASP?q=A6m A ASP?QA6n A ASP?= A6o A ALA?q=*A7p A ALA?4A7q A ALA?= WA7r A ALA?MA7s A ALA?8A7t A LEU?H"A8u A LEU?zA8v A LEU?q=ZA8w A LEU?GEA8x A LEU?A8y A LEU?5A8z A LEU? A8{ A LEU?zPA8| A ASP?33CA9} A ASP?p=A9~ A ASP?)\cA9 A ASP?HRA9 A ASP?ף@A9 A ASP?pA9 A ASP?q=A9 A ASP?q=A9 A LYS?9A: A LYS?7A: A LYS?QhA: A LYS?RbA: A LYS?\NA: A LYS?{A: A LYS?A: A LYS?q=&B: A LYS?RDB: A ILE?)A; A ILE?ף A; A ILE?33WA; A ILE?WA; A ILE?MA; A ILE?QlA; A ILE?5A; A ILE?QA; A ARG? A< A ARG?( A<AA ARG?QHA< A ARG?MA< A ARG?ףA<AA ARG?A<AA ARG?(A<AA ARG?(lA<AA ARG?(B<AA ARG?zB<AA ARG?q=A<AA TYR?33A= A TYR?RA= A TYR?= ;A= A TYR?(A= A TYR?A= A TYR?9A= A TYR?)\WA= A TYR?q=VA= A TYR?{A= A TYR?qA= A TYR?33A= A TYR?GA= A GLU?,A> A GLU?0A> A GLU?,A> A GLU?zLA> A GLU?IA> A GLU?33kA> A GLU?GA> A GLU?HA> A GLU? A> A SER?ff"A? A SER?%A? A SER?‰A? A SER?qA? A SER?{>A? A SER?gA? A LEU?HvA@ A LEU?A@ A LEU?= A@ A LEU?A@ A LEU?ff~A@ A LEU?ffA@ A LEU?GA@ A LEU?33A@ A THR?ףLAA A THR?(LAA A THR?(AA A THR?q=AA A THR?= OAA A THR?ffrAA A THR?AA A ASP?= AB A ASP?xAB A ASP?33AB A ASP?ffnAB A ASP?GAB A ASP?= AB A ASP?q=AB A ASP?ףBB A PRO?AC A PRO?ffAC A PRO?ףAC A PRO?AC A PRO?§AC A PRO?ffAC A PRO?{AC A SER?\AD A SER?zAD A SER?q=AD A SER?(AD A SER?q=AD A SER?AD A LYS?Q|AE A LYS?ףlAE A LYS?q=nAE A LYS?z`AE A LYS?{nAE A LYS?AE A LYS?ff~AE A LYS?= AE A LYS? BE A LEU?pMAF A LEU?(`AF A LEU?̜AF A LEU?ffAF A LEU?{^AF A LEU?ףAF A LEU?pAF A LEU?ףhAF A ASP?wAG A ASP?= sAG A ASP?AG A ASP?33AG A ASP?}AG A ASP?RAG A ASP?AG A ASP?GBG A SER?ףpAH A SER?HAH A SER?AH A SER?RAH A SER?AH A SER?)\AH A GLY?)\AI A GLY?AI A GLY?\AI  A GLY?\AI  A LYS?ffvAJ  A LYS?HrAJ  A LYS?\AJ  A LYS?ףAJ A LYS?\AJ A LYS?33AJ A LYS?)\BJ A LYS?)\$BJ A LYS?{,BJ A GLU?ffNAK A GLU?]AK A GLU?AK A GLU?GAK A GLU?GyAK A GLU?\AK A GLU?BK A GLU?= oBK A GLU?HBK A LEU?hAL A LEU?UAL A LEU?pyAL A LEU?(xAL  A LEU?EAL! A LEU?AL" A LEU?AL# A LEU?kAL$ A HIS?)\CAM% A HIS?=AM& A HIS?aAM' A HIS?QAM( A HIS?\AM) A HIS?pAM* A HIS?= AM+ A HIS?̶AM, A HIS?q=AM- A HIS?AM. A ILE?LAN/ A ILE?Q8AN0 A ILE?z|AN1 A ILE?{~AN2 A ILE?IAN3 A ILE?)\SAN4 A ILE??AN5 A ILE?RNAN6 A ASN?HFAO7 A ASN?;AO8 A ASN?33_AO9 A ASN?{JAO: A ASN?(dAO; A ASN?AO< A ASN?AO= A ASN?q=AO> A LEU?z@AP? A LEU?HJAP@ A LEU?)\oAPA A LEU?DAPB A LEU?RZAPC A LEU?GAPD A LEU?APE A LEU?QAPF A ILE?)\?AQG A ILE?G9AQH A ILE?{FAQI A ILE?\^AQJ A ILE?QxAQK A ILE?)\AQL A ILE?‹AQM A ILE?= AQN A PRO?H>ARO A PRO?G1ARP A PRO?ARQ A PRO?RARR A PRO?aARS A PRO? כART A PRO?{ARU A ASN?MASV A ASN?XASW A ASN?ASX A ASN?33{ASY A ASN?H~ASZ A ASN?AS[ A ASN?AS\ A ASN?HAS] A LYS?RAT^ A LYS?= AT_ A LYS? קAT` A LYS?33ATa A LYS?RATb A LYS?RATc A LYS?pBTd A LYS?(=BTe A LYS?{|BTf A GLN?HAUg A GLN?AUh A GLN?(AUi A GLN?AUj A GLN?AUk A GLN?zAUl A GLN?ף'BUm A GLN?zAUn A GLN?AUo A ASP?33AVp A ASP?HAVq A ASP?AVr A ASP?zAVs A ASP?AVt A ASP?RAVu A ASP?QAVv A ASP?= AVw A ARG?piAWx A ARG? [AWy A ARG?{AWz A ARG?QAW{ A ARG?RAW| A ARG?(BW} A ARG?G,BW~ A ARG?ffJBW A ARG?BW A ARG?(IBW A ARG?G:BW A THR? ?AX A THR?DAX A THR?aAX A THR?kAX A THR?= AX A THR?AX A THR?H~AX A LEU?33/AY A LEU?H.AY A LEU?= cAY A LEU?\FAY A LEU?5AY A LEU?iAY A LEU?33cAY A LEU?zAY A THR?5AZ A THR?Q0AZ A THR?{jAZ A THR?Q@AZ A THR?AZ A THR? AZ A THR?iAZ A ILE?7A[ A ILE??A[ A ILE?pqA[ A ILE?QA[ A ILE?q=~A[ A ILE? ףA[ A ILE?ffA[ A ILE?q=B[ A VAL?H6A\ A VAL?A\ A VAL?ffZA\ A VAL?IA\ A VAL?QxA\ A VAL?GA\ A VAL?HA\ A ASP?q=*A] A ASP?#A] A ASP?z\A] A ASP?peA] A ASP?TA] A ASP?[A] A ASP?QA] A ASP? SA] A THR?= @^ A THR?)\A^ A THR?q=6A^ A THR?!A^ A THR?ffA^ A THR?G9A^ A THR?mA^ A GLY?A_ A GLY?q=A_ A GLY?3A_ A GLY?,A_ A ILE?)\/A` A ILE?0A` A ILE?IA` A ILE?YA` A ILE?q=RA` A ILE?pA` A ILE?QdA` A ILE?QA` A GLY?(Aa A GLY?\"Aa A GLY?ff6Aa A GLY?)\7Aa A MET?Ab A MET?Ab A MET?QtAb A MET?hAb A MET?33+Ab A MET?ףDAb A MET?33wAb A MET?= cAb A THR?)Ac A THR?pIAc A THR?gAc A THR?iAc A THR?q=rAc A THR?ףpAc A THR?eAc A LYS?= 7Ad A LYS?{6Ad A LYS?UAd A LYS?)\_Ad A LYS?gAd A LYS?)\Ad A LYS?Ad A LYS?Bd A LYS?ףAd A ALA?ffJAe A ALA?GAe A ALA?mAe A ALA?dAe A ALA?G]Ae A ASP?=Af A ASP?= ;Af A ASP?= sAf A ASP?XAf A ASP?iAf A ASP?ffAf A ASP?pAf A ASP?ףAf A LEU?lAg A LEU?(Ag A LEU?Ag A LEU?33Ag A LEU?zAg A LEU?pAg A LEU?Ag A LEU?Ag A ILE?z4Ah A ILE?= 3Ah A ILE?33WAh A ILE?̂Ah A ILE?YAh A ILE?ffjAh A ILE? wAh A ILE?q=Ah A ASN?\&Ai A ASN?G5Ai A ASN?\^Ai A ASN?zpAi A ASN?pAi A ASN?RAi A ASN?{Ai A ASN?33{Ai A ASN?q=VAj A ASN?YAj A ASN?Aj A ASN?)\Aj A ASN?tAj A ASN?zAj  A ASN?Bj  A ASN?Bj  A LEU?33KAk  A LEU?ףTAk  A LEU? ׅAk A LEU?\Ak A LEU?KAk A LEU?R~Ak A LEU?)\Ak A LEU?pAk A GLY?fffAl A GLY?QAl A GLY?Al A GLY? ׏Al A THR?= oAm A THR?Am A THR?q=Am A THR?)\Am A THR?Am A THR?{ Bm A THR?pAm A ILE?An A ILE?pAn  A ILE?pAn! A ILE?pAn" A ILE?An# A ILE?­An$ A ILE?HAn% A ILE?33An& A ALA?{Ao' A ALA?Ao( A ALA?Ao) A ALA?(Ao* A ALA? ׯAo+ A LYS?zAp, A LYS?= Ap- A LYS?Ap. A LYS?Ap/ A LYS?(Ap0 A LYS? Ap1 A LYS?Bp2 A LYS?H3Bp3 A LYS?ffBp4 A SER?\Aq5 A SER? ׹Aq6 A SER?(Aq7 A SER?{Aq8 A SER?Aq9 A SER?\1Bq: A GLY? Ar; A GLY?Ar< A GLY?Ar= A GLY?Ar> A THR?±As? A THR?As@ A THR?µAsA A THR?ףAsB A THR?AsC A THR?RAsD A THR?GAsE A LYS?33AtF A LYS?AtG A LYS?ffAtH A LYS?AtI A LYS?(AtJ A LYS?BtK A LYS?9BtL A LYS?fBtM A LYS?ffBtN A ALA?ףAuO A ALA?ffAuP A ALA?±AuQ A ALA?RAuR A ALA?)\AuS A PHE?)\AvT A PHE?̌AvU A PHE?AvV A PHE?̠AvW A PHE?)\AvX A PHE?AvY A PHE?q=AvZ A PHE?\Av[ A PHE?Av\ A PHE?Av] A PHE?33Av^ A MET?̘Aw_ A MET?RAw` A MET?QAwa A MET?ףAwb A MET?zAwc A MET?RAwd A MET?ףAwe A MET?pAwf A GLU?RAxg A GLU?\Axh A GLU?(Axi A GLU? Axj A GLU?= Axk A GLU?{Axl A GLU?3Bxm A GLU?Q Bxn A GLU?Axo A ALA?̢Ayp A ALA?\Ayq A ALA?Ayr A ALA?{Ays A ALA?(Ayt A LEU? ץAzu A LEU?)\Azv A LEU? Azw A LEU?pAzx A LEU?Azy A LEU?)\Azz A LEU?Az{ A LEU?ffAz| A GLN?)\A{} A GLN?ffA{~ A GLN?ףB{ A GLN?(B{ A GLN?q=A{ A GLN? B{ A GLN?pbB{ A GLN?33WB{ A GLN?ff@B{ A ALA?RB| A ALA? B| A ALA?Q'B| A ALA?)B| A ALA?q= B| A GLY?B} A GLY?= B} A GLY?B} A GLY?pB} A ALA?A~ A ALA?(A~ A ALA?)\A~ A ALA?ffA~ A ALA?A~ A ASP?q=A A ASP?A A ASP?q=A A ASP?q=A A ASP?= A A ASP?B A ASP? B A ASP? B A ILE?= A A ILE?A A ILE?{A A ILE?RA A ILE?ffA A ILE?)\A A ILE?(A A ILE?zA A SER?= A A SER?(A A SER?RA A SER? ׵A A SER?zA A SER?.B A MET?= A A MET?A A MET?ףA A MET?A A MET?q=A A MET?q=B A MET?(B A MET?= B A ILE?A A ILE?zA A ILE?RA A ILE?ףA A ILE?33A A ILE?HA A ILE?̄A A ILE?A A GLY?A A GLY? סA A GLY?{A A GLY?33A A GLN?A A GLN?ףA A GLN?zA A GLN?)\A A GLN?pA A GLN?A A GLN?pLB A GLN?336B A GLN?{9B A PHE?HA A PHE?A A PHE?A A PHE?A A PHE?GA A PHE?A A PHE? A A PHE?\A A PHE?q=A A PHE?A A PHE?)\A A GLY?A A GLY?A A GLY?A A GLY?pA A VAL?33A A VAL?GA A VAL?A A VAL?33A A VAL?A A VAL?ףA A VAL?zA A GLY?ףA A GLY?A A GLY?{vA A GLY?GeA A PHE?ף@A A PHE?CA A PHE?!A A PHE?\:A A PHE?HnA A PHE?33wA A PHE?33A A PHE?zxA A PHE?A A PHE?pA A PHE?zdA A TYR?A A TYR?{A A TYR?1A A TYR?GAA A TYR?(A A TYR?ff.A A TYR?HA A TYR?{FA A TYR?{VA A TYR?KA A TYR?(\A A TYR?mA A SER? A THR?aA? A THR?UA@ A THR?yAA A THR?AB A VAL?{2AC A VAL?AD A VAL? OAE A VAL?IAF A VAL?zLAG A VAL?QTAH A VAL?=AI A ILE?-AJ A ILE?QAK A ILE?HNAL A ILE?p9AM A ILE?)\/AN A ILE?XAO A ILE?QlAP A ILE?RAQ A THR?ff2AR A THR?HAS A THR?zHAT A THR? ;AU A THR?R:AV A THR?RzAW A THR?G5AX A LYS?7AY A LYS?q=.AZ A LYS?eA[ A LYS?AA\ A LYS?HRA] A LYS?‹A^ A LYS?\A_ A LYS?(A` A LYS?Aa A HIS?q=>Ab A HIS?(4Ac A HIS?zxAd A HIS?]Ae A HIS?A A TRP?HVA A TRP?R2A A TRP?333A A TRP?0A A TRP?G]A A TRP?Q(A A TRP?eA A TRP?HNA A TRP? A A TRP?{>A A TRP?EA A TRP?ף A ARG?\BA? A ARG?ffVA@ A ARG?= sAA A ARG?(TAB A ARG?ףAC A ARG?HAD A ARG?GQAE A GLY?+AF A GLY?q=AG A GLY?QdAH A GLY?ffNAI A THR?Q0AJ A THR?\>AK A THR?q=fAL A THR?GmAM A THR?33AN A THR?ףxAO A THR?(tAP A LYS?9AQ A LYS?Aq A HIS?ffBAr A HIS?XAs A HIS?qAt A HIS?= {Au A HIS?̤Av A HIS?Aw A HIS?zAx A HIS?HAy A HIS?ffAz A LEU?(DA{ A LEU?A| A LEU?33wA} A LEU?aA~ A LEU?A A LEU?`A A LEU?)\[A A LEU? [A A LYS?\RA A LYS?MA A LYS?(A A LYS?)\sA A LYS?= A A LYS?(A A LYS?\A A LYS?B A LYS? B A GLU?pyA A GLU?A A GLU?(A A GLU?QA A GLU?ףA A GLU?ף B A GLU?B A GLU?B A GLU?xB A ASP?yA A ASP? ׇA A ASP?A A ASP?33A A ASP?̖A A ASP?{A A ASP?A A ASP?zB A GLN?GA A GLN?paA A GLN?A A GLN?\A A GLN?A A GLN?pyA A GLN?A A GLN?GA A GLN?A A THR?pmA A THR?GmA A THR?ףA A THR?A A THR?A A THR?ffA A THR? ׽A A GLU?|A A GLU?̄A A GLU?A A GLU?A A GLU?= A A GLU?)\A A GLU?CB A GLU?(1B A GLU?q= B A TYR?eA A TYR?pMA A TYR?zA A TYR?A A TYR?\bA A TYR?)\gA A TYR?= {A A TYR?puA A TYR?)\A A TYR?ffA A TYR?GA A TYR?)\A A LEU?HjA A LEU?(A A LEU? ׏A A LEU?A A LEU?HA A LEU?(A A LEU?—A A LEU?33A A GLU?q=jA A GLU?wA A GLU?A A GLU?33A A GLU?zA A GLU?= A A GLU?R9B A GLU?= KB A GLU?-B A GLU?GA A GLU? wA A GLU?\A A GLU?RA A GLU? ׇA A GLU?= A A GLU?( B A GLU?ףA A GLU?= ,B A ARG?A A ARG?zA A ARG?A A ARG?(A A ARG?= A A ARG?ffB A ARG?VB A ARG?#B A ARG?33B A ARG?= mB A ARG? WB A ARG?GuA A ARG?A A ARG?A A ARG?A A ARG?ףA A ARG?(A A ARG?(A A ARG?ףB A ARG?)\0B A ARG?B A ARG?q=A A ILE?HVA A ILE? WA A ILE?ףA A ILE?̊A A ILE?HzA A ILE?q=zA A ILE?\A A ILE? יA A LYS?G}A A LYS?pA A LYS?(A A LYS?}A A LYS?pA A LYS?= A A LYS?{ B A LYS?PB A LYS?)\B A GLU?QA A GLU?{A A GLU?©A A GLU?GA A GLU?pA A GLU?B A GLU?vB  A GLU?)\B  A GLU?qB  A ILE?RA  A ILE?lA  A ILE?33A A ILE?A A ILE?{A A ILE?QA A ILE?RA A ILE?zA A VAL?z`A A VAL?ף|A A VAL?(A A VAL?33A A VAL?QA A VAL?= A A VAL?= A A LYS?™A A LYS? ׍A A LYS?¥A A LYS?ףA A LYS?q=A A LYS?q=.B  A LYS?q=dB! A LYS?B" A LYS?33B# A LYS?pA$ A LYS?pA% A LYS?A& A LYS?33A' A LYS?\A( A LYS?)\A) A LYS?GB* A LYS?1B+ A LYS? B, A HIS?A- A HIS?(A. A HIS?A/ A HIS? ׫A0 A HIS?A1 A HIS?«A2 A HIS?RA3 A HIS?A4 A HIS?̲A5 A HIS?A6 A SER?A7 A SER?(A8 A SER?A9 A SER?A: A SER?33A; A SER?G3B< A GLN?QA= A GLN?A> A GLN?A? A GLN?A@ A GLN?AA A GLN?)\ BB A GLN?{RBC A GLN?\DBD A GLN?BE A PHE?zAF A PHE?zAG A PHE?AH A PHE?zAI A PHE?{AJ A PHE?QAK A PHE?BL A PHE?AM A PHE?)\BN A PHE? BO A PHE?ffBP A ILE?\AQ A ILE?QAR A ILE?BS A ILE?RBT A ILE?)\AU A ILE?AV A ILE?AW A ILE?BX A GLY?AY A GLY?)\AZ A GLY?A[ A GLY?)\A\ A TYR?pA] A TYR?q=A^ A TYR?pA_ A TYR?A` A TYR?̀Aa A TYR?`Ab A TYR?\Ac A TYR?QAd A TYR?33cAe A TYR?QAf A TYR?Ag A TYR?{Ah A PRO?Ai A PRO?q=vAj A PRO?ffAk A PRO?)\Al A PRO?q=Am A PRO?An A PRO?GAo A ILE?}Ap A ILE?Aq A ILE?RAr A ILE?(As A ILE?q=At A ILE?33Au A ILE?ףAv A ILE?HAw A THR?̀Ax A THR?`Ay A THR?= Az A THR?HA{ A THR?RA| A THR?= A} A THR?QA~ A LEU? GA A LEU?QA A LEU?xA A LEU?uA A LEU?YA A LEU?pA A LEU?RA A LEU?{A A PHE?\FA A PHE?GIA A PHE?oA A PHE?A A PHE?yA A PHE?q=~A A PHE?̘A A PHE?GA A PHE?zA A PHE?A A PHE?A A VAL?)\OA A VAL?(dA A VAL? {A A VAL?)\kA A VAL?A A VAL?QA A VAL?A A GLU?ףA A GLU?A A GLU?A A GLU?ffA A GLU?ffA A GLU?(A A GLU?YB A GLU?= \B A GLU?p:B A LYS?A A LYS?= sA A LYS?GA A LYS?GuA A LYS?33A A LYS?A A LYS?A A LYS?ףB A LYS?33A A GLU?ףhA A GLU?)\kA A GLU?RA A GLU?HA A GLU?ff~A A GLU?\A A GLU?+B A GLU?\CB A GLU?q=A A ARG?R~A A ARG?cA A ARG?A A ARG?ףA A ARG?33A A ARG?pA A ARG?A A ARG?ףA A ARG?B A ARG?̢A A ARG?ffA A ASP?|A A ASP?lA A ASP?A A ASP? קA A ASP?q=A A ASP?A A ASP?ףA A ASP?A A LYS? בA A LYS?RA A LYS?)\A A LYS?A A LYS?QA A LYS?GB A LYS?= B A LYS?B A LYS?pIB A GLU?A A GLU?QA A GLU?33A A GLU?QA A GLU?)\A A GLU?A A GLU?{B A GLU?RA A GLU?= A A VAL?A A VAL?\A A VAL?A A VAL?A A VAL?A A VAL?A A VAL?A A SER?A A SER? B A SER?B A SER?33B A SER?ף+B A SER?)\[B A OEMolPDBData{ZHEADER CHAPERONE 06-JUL-10 2XJXTITLE STRUCTURE OF HSP90 WITH SMALL MOLECULE INHIBITOR BOUNDCOMPND MOL_ID: 1;COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHACOMPND 3 CHAIN: A;COMPND 4 FRAGMENT: RESIDUES 9-236;COMPND 5 SYNONYM: HSP90, HEAT SHOCK 86 KDA, HSP 86, HSP86, RENAL CARCINOMACOMPND 6 ANTIGEN NY-REN-38;COMPND 7 ENGINEERED: YESSOURCE MOL_ID: 1;SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;SOURCE 3 ORGANISM_COMMON: HUMAN;SOURCE 4 ORGANISM_TAXID: 9606;SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)KEYWDS CHAPERONE, ATP BINDING DOMAIN, STRESS RESPONSEEXPDTA X-RAY DIFFRACTIONAUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWAN,AUTHOR 2 J.E.COYLE,R.DOWNHAM,E.FIGUEROA,M.FREDERICKSON,B.GRAHAM,R.MCMENAMIN,AUTHOR 3 M.A.OBRIEN,S.PATEL,T.R.PHILLIPS,G.WILLIAMS,A.J.WOODHEAD,AUTHOR 4 A.J.A.WOOLFORDREVDAT 4 18-FEB-15 2XJX 1 AUTHOR HETNAM HETSYN FORMULREVDAT 3 24-APR-13 2XJX 1 TITLE REMARK VERSNREVDAT 2 13-JUL-11 2XJX 1 JRNL REMARKREVDAT 1 11-AUG-10 2XJX 0JRNL AUTH A.J.WOODHEAD,H.ANGOVE,M.G.CARR,G.CHESSARI,M.CONGREVE,JRNL AUTH 2 J.E.COYLE,J.COSME,B.GRAHAM,P.J.DAY,R.DOWNHAM,L.FAZAL,JRNL AUTH 3 R.FELTELL,E.FIGUEROA,M.FREDERICKSON,J.LEWIS,R.MCMENAMIN,JRNL AUTH 4 C.W.MURRAY,M.A.O'BRIEN,L.PARRA,S.PATEL,T.PHILLIPS,D.C.REES,JRNL AUTH 5 S.RICH,D.M.SMITH,G.TREWARTHA,M.VINKOVIC,B.WILLIAMS,JRNL AUTH 6 A.J.WOOLFORDJRNL TITL DISCOVERY OF (2,4-DIHYDROXY-5-ISOPROPYLPHENYL)-[5-JRNL TITL 2 (4-METHYLPIPERAZIN-1-YLMETHYL)-1,3-DIHYDROISOINDOL-JRNL TITL 3 2-YL]METHANONE (AT13387), A NOVEL INHIBITOR OF THEJRNL TITL 4 MOLECULAR CHAPERONE HSP90 BY FRAGMENT BASED DRUG DESIGN.JRNL REF J.MED.CHEM. V. 53 5956 2010JRNL REFN ISSN 0022-2623JRNL PMID 20662534JRNL DOI 10.1021/JM100060BREMARK 2REMARK 2 RESOLUTION. 1.66 ANGSTROMS.REMARK 3REMARK 3 REFINEMENT.REMARK 3 PROGRAM : BUSTER-TNT 2.5.1REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER,REMARK 3 : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK,REMARK 3 : MATTHEWS,TEN EYCK,TRONRUDREMARK 3REMARK 3 DATA USED IN REFINEMENT.REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.99REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.0REMARK 3 COMPLETENESS FOR RANGE (%) : 96.46REMARK 3 NUMBER OF REFLECTIONS : 20155REMARK 3REMARK 3 FIT TO DATA USED IN REFINEMENT.REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUTREMARK 3 FREE R VALUE TEST SET SELECTION : RANDOMREMARK 3 R VALUE (WORKING + TEST SET) : 0.1577REMARK 3 R VALUE (WORKING SET) : 0.1550REMARK 3 FREE R VALUE : 0.2076REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.0REMARK 3 FREE R VALUE TEST SET COUNT : 1012REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULLREMARK 3REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.REMARK 3 TOTAL NUMBER OF BINS USED : 9REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 1.66REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 1.76REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.46REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 3164REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.1968REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3010REMARK 3 BIN R VALUE (WORKING SET) : 0.1948REMARK 3 BIN FREE R VALUE : 0.2332REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.87REMARK 3 BIN FREE R VALUE TEST SET COUNT : 154REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULLREMARK 3REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.REMARK 3 PROTEIN ATOMS : 1765REMARK 3 NUCLEIC ACID ATOMS : 0REMARK 3 HETEROGEN ATOMS : 30REMARK 3 SOLVENT ATOMS : 198REMARK 3REMARK 3 B VALUES.REMARK 3 FROM WILSON PLOT (A**2) : 18.279REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.03REMARK 3 OVERALL ANISOTROPIC B VALUE.REMARK 3 B11 (A**2) : -1.08742065REMARK 3 B22 (A**2) : 0.13840185REMARK 3 B33 (A**2) : 0.94901880REMARK 3 B12 (A**2) : 0.00000000REMARK 3 B13 (A**2) : -6.93572824REMARK 3 B23 (A**2) : 0.00000000REMARK 3REMARK 3 ESTIMATED COORDINATE ERROR.REMARK 3 ESD FROM LUZZATI PLOT (A) : NULLREMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : NULLREMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : NULLREMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : NULLREMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : NULLREMARK 3REMARK 3 REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797REMARK 3 CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601REMARK 3REMARK 3 CORRELATION COEFFICIENTS.REMARK 3 CORRELATION COEFFICIENT FO-FC : NULLREMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULLREMARK 3REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15REMARK 3 TERM COUNT WEIGHT FUNCTION.REMARK 3 BOND LENGTHS : NULL ; NULL ; NULLREMARK 3 BOND ANGLES : NULL ; NULL ; NULLREMARK 3 TORSION ANGLES : NULL ; NULL ; NULLREMARK 3 TRIGONAL CARBON PLANES : NULL ; NULL ; NULLREMARK 3 GENERAL PLANES : NULL ; NULL ; NULLREMARK 3 ISOTROPIC THERMAL FACTORS : NULL ; NULL ; NULLREMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULLREMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULLREMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULLREMARK 3 CHIRAL IMPROPER TORSION : NULL ; NULL ; NULLREMARK 3 SUM OF OCCUPANCIES : NULL ; NULL ; NULLREMARK 3 UTILITY DISTANCES : NULL ; NULL ; NULLREMARK 3 UTILITY ANGLES : NULL ; NULL ; NULLREMARK 3 UTILITY TORSION : NULL ; NULL ; NULLREMARK 3 IDEAL-DIST CONTACT TERM : NULL ; NULL ; NULLREMARK 3REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.REMARK 3 BOND LENGTHS (A) : 0.011REMARK 3 BOND ANGLES (DEGREES) : 1.394REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULLREMARK 3 OTHER TORSION ANGLES (DEGREES) : 16.228REMARK 3REMARK 3 TLS DETAILSREMARK 3 NUMBER OF TLS GROUPS : NULLREMARK 3REMARK 3 OTHER REFINEMENT REMARKS: NULLREMARK 4REMARK 4 2XJX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11REMARK 100REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 06-JUL-10.REMARK 100 THE PDBE ID CODE IS EBI-44517.REMARK 200REMARK 200 EXPERIMENTAL DETAILSREMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTIONREMARK 200 DATE OF DATA COLLECTION : NULLREMARK 200 TEMPERATURE (KELVIN) : 100REMARK 200 PH : NULLREMARK 200 NUMBER OF CRYSTALS USED : NULLREMARK 200REMARK 200 SYNCHROTRON (Y/N) : YREMARK 200 RADIATION SOURCE : ESRFREMARK 200 BEAMLINE : ID23-1REMARK 200 X-RAY GENERATOR MODEL : NULLREMARK 200 MONOCHROMATIC OR LAUE (M/L) : MREMARK 200 WAVELENGTH OR RANGE (A) : 0.97REMARK 200 MONOCHROMATOR : NULLREMARK 200 OPTICS : NULLREMARK 200REMARK 200 DETECTOR TYPE : CCD (QUANTUM 315R)REMARK 200 DETECTOR MANUFACTURER : ADSCREMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULLREMARK 200 DATA SCALING SOFTWARE : NULLREMARK 200REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20868REMARK 200 RESOLUTION RANGE HIGH (A) : 1.66REMARK 200 RESOLUTION RANGE LOW (A) : 43.99REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.0REMARK 200REMARK 200 OVERALL.REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6REMARK 200 DATA REDUNDANCY : 3.3REMARK 200 R MERGE (I) : 0.06REMARK 200 R SYM (I) : NULLREMARK 200 FOR THE DATA SET : NULLREMARK 200REMARK 200 IN THE HIGHEST RESOLUTION SHELL.REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULLREMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULLREMARK 200 COMPLETENESS FOR SHELL (%) : NULLREMARK 200 DATA REDUNDANCY IN SHELL : NULLREMARK 200 R MERGE FOR SHELL (I) : NULLREMARK 200 R SYM FOR SHELL (I) : NULLREMARK 200 FOR SHELL : NULLREMARK 200REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTHREMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHERREMARK 200 SOFTWARE USED: NULLREMARK 200 STARTING MODEL: NONEREMARK 200REMARK 200 REMARK: NONEREMARK 280REMARK 280 CRYSTALREMARK 280 SOLVENT CONTENT, VS (%): 22.19REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.59REMARK 280REMARK 280 CRYSTALLIZATION CONDITIONS: NULLREMARK 290REMARK 290 CRYSTALLOGRAPHIC SYMMETRYREMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1REMARK 290REMARK 290 SYMOP SYMMETRYREMARK 290 NNNMMM OPERATORREMARK 290 1555 X,Y,ZREMARK 290 2555 -X,Y+1/2,-ZREMARK 290REMARK 290 WHERE NNN -> OPERATOR NUMBERREMARK 290 MMM -> TRANSLATION VECTORREMARK 290REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONSREMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATMREMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLYREMARK 290 RELATED MOLECULES.REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 20.52500REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000REMARK 290REMARK 290 REMARK: NULLREMARK 300REMARK 300 BIOMOLECULE: 1REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAMREMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE INREMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ONREMARK 300 BURIED SURFACE AREA.REMARK 350REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWNREMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THEREMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONSREMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC ANDREMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.REMARK 350REMARK 350 BIOMOLECULE: 1REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERICREMARK 350 SOFTWARE USED: PISAREMARK 350 APPLY THE FOLLOWING TO CHAINS: AREMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000REMARK 465REMARK 465 MISSING RESIDUESREMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THEREMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAINREMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)REMARK 465REMARK 465 M RES C SSSEQIREMARK 465 MET A -12REMARK 465 GLY A -11REMARK 465 SER A -10REMARK 465 SER A -9REMARK 465 HIS A -8REMARK 465 HIS A -7REMARK 465 HIS A -6REMARK 465 HIS A -5REMARK 465 HIS A -4REMARK 465 HIS A -3REMARK 465 SER A -2REMARK 465 SER A -1REMARK 465 GLY A 0REMARK 465 LEU A 1REMARK 465 VAL A 2REMARK 465 PRO A 3REMARK 465 ARG A 4REMARK 465 GLY A 5REMARK 465 SER A 6REMARK 465 HIS A 7REMARK 465 MET A 8REMARK 465 ASP A 9REMARK 465 GLN A 10REMARK 465 ASP A 232REMARK 465 ASP A 233REMARK 465 GLU A 234REMARK 465 ALA A 235REMARK 465 GLU A 236REMARK 500REMARK 500 GEOMETRY AND STEREOCHEMISTRYREMARK 500 SUBTOPIC: TORSION ANGLESREMARK 500REMARK 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 500REMARK 500 STANDARD TABLE:REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)REMARK 500REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400REMARK 500REMARK 500 M RES CSSEQI PSI PHIREMARK 500 MET A 12 -95.77 62.23REMARK 500 THR A 94 41.19 -108.29REMARK 500 ALA A 166 -141.17 65.43REMARK 500 GLU A 178 107.58 -48.56REMARK 500REMARK 500 REMARK: NULLREMARK 800REMARK 800 SITEREMARK 800 SITE_IDENTIFIER: AC1REMARK 800 EVIDENCE_CODE: SOFTWAREREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE XJX A1232REMARK 900REMARK 900 RELATED ENTRIESREMARK 900 RELATED ID: 2CDD RELATED DB: PDBREMARK 900 HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-REMARK 900 BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-REMARK 900 PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOLREMARK 900 RELATED ID: 1YES RELATED DB: PDBREMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "OPENREMARK 900 " CONFORMATIONREMARK 900 RELATED ID: 1UY9 RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3]REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-9H-PURIN-6-REMARK 900 YLAMINEREMARK 900 RELATED ID: 1BYQ RELATED DB: PDBREMARK 900 HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MGREMARK 900 RELATED ID: 2BSM RELATED DB: PDBREMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OFREMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVEREDREMARK 900 THROUGH STRUCTURE-BASED DESIGNREMARK 900 RELATED ID: 1OSF RELATED DB: PDBREMARK 900 HUMAN HSP90 IN COMPLEX WITH 17-DESMETHOXY-REMARK 900 17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCINREMARK 900 RELATED ID: 2WI3 RELATED DB: PDBREMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINEREMARK 900 INHIBITORS OF THE HSP90 CHAPERONEREMARK 900 RELATED ID: 1UY8 RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3-REMARK 900 TRIMETHOXY-BENZYL)-9H-PURIN-6YLAMINEREMARK 900 RELATED ID: 2BUG RELATED DB: PDBREMARK 900 SOLUTION STRUCTURE OF THE TPR DOMAIN FROMREMARK 900 PROTEIN PHOSPHATASE 5 IN COMPLEX WITH HSP90REMARK 900 DERIVED PEPTIDEREMARK 900 RELATED ID: 2WI4 RELATED DB: PDBREMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINEREMARK 900 INHIBITORS OF THE HSP90 CHAPERONEREMARK 900 RELATED ID: 2UWD RELATED DB: PDBREMARK 900 INHIBITION OF THE HSP90 MOLECULAR CHAPERONEREMARK 900 IN VITRO AND IN VIVO BY NOVEL, SYNTHETICREMARK 900 , POTENT RESORCINYLIC PYRAZOLE, ISOXAZOLE AMIDEREMARK 900 ANALOGSREMARK 900 RELATED ID: 2XHX RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 2WI7 RELATED DB: PDBREMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINEREMARK 900 INHIBITORS OF THE HSP90 CHAPERONEREMARK 900 RELATED ID: 2BT0 RELATED DB: PDBREMARK 900 NOVEL, POTENT SMALL MOLECULE INHIBITORS OFREMARK 900 THE MOLECULAR CHAPERONE HSP90 DISCOVEREDREMARK 900 THROUGH STRUCTURE-BASED DESIGNREMARK 900 RELATED ID: 1YER RELATED DB: PDBREMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "REMARK 900 CLOSED" CONFORMATIONREMARK 900 RELATED ID: 2XDU RELATED DB: PDBREMARK 900 STRUCTUE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 1UYG RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY-REMARK 900 BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINEREMARK 900 RELATED ID: 2BZ5 RELATED DB: PDBREMARK 900 STRUCTURE-BASED DISCOVERY OF A NEW CLASSREMARK 900 OF HSP90 INHIBITORSREMARK 900 RELATED ID: 2CCU RELATED DB: PDBREMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-(4-(4-REMARK 900 METHANESULPHONYL-BENZYL)-PIERAZIN-1-YL)-1H-REMARK 900 PYRAZOL-3-YL)-BENZENE-1,3-DIOLREMARK 900 RELATED ID: 2XDS RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 2XDX RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 2CCS RELATED DB: PDBREMARK 900 HUMAN HSP90 WITH 4-CHLORO-6-(4-PIPERAZIN-REMARK 900 1-YL-1H-PYRAZOL-3-YL)-BENZENE-1,2-DIOLREMARK 900 RELATED ID: 1UYF RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4,REMARK 900 5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-REMARK 900 YLNYL-9H-PURIN-6-YLAMINEREMARK 900 RELATED ID: 1YC3 RELATED DB: PDBREMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHAREMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLESREMARK 900 RELATED ID: 1UYI RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY-REMARK 900 BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-REMARK 900 YLAMINEREMARK 900 RELATED ID: 1UYD RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2-REMARK 900 CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-REMARK 900 6-YLAMINEREMARK 900 RELATED ID: 2BYI RELATED DB: PDBREMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE-REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90REMARK 900 MOLECULAR CHAPERONEREMARK 900 RELATED ID: 2XDL RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 2WI2 RELATED DB: PDBREMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINEREMARK 900 INHIBITORS OF THE HSP90 CHAPERONEREMARK 900 RELATED ID: 1UY6 RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3,4,REMARK 900 5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINEREMARK 900 RELATED ID: 2VCI RELATED DB: PDBREMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONEREMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FORREMARK 900 THE TREATMENT OF CANCERREMARK 900 RELATED ID: 2WI1 RELATED DB: PDBREMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINEREMARK 900 INHIBITORS OF THE HSP90 CHAPERONEREMARK 900 RELATED ID: 2VCJ RELATED DB: PDBREMARK 900 4,5 DIARYL ISOXAZOLE HSP90 CHAPERONEREMARK 900 INHIBITORS: POTENTIAL THERAPEUTIC AGENTS FORREMARK 900 THE TREATMENT OF CANCERREMARK 900 RELATED ID: 1YC4 RELATED DB: PDBREMARK 900 CRYSTAL STRUCTURE OF HUMAN HSP90ALPHAREMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLESREMARK 900 RELATED ID: 2C2L RELATED DB: PDBREMARK 900 CRYSTAL STRUCTURE OF THE CHIP U-BOX E3REMARK 900 UBIQUITIN LIGASEREMARK 900 RELATED ID: 2FWZ RELATED DB: PDBREMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TOREMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H71REMARK 900 RELATED ID: 2XDK RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 1UYH RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5-REMARK 900 DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-REMARK 900 YLAMINEREMARK 900 RELATED ID: 2XJG RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 1UYK RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3]REMARK 900 DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-REMARK 900 PURIN-6-YLAMINEREMARK 900 RELATED ID: 2CCT RELATED DB: PDBREMARK 900 HUMAN HSP90 WITH 5-(5-CHLORO-2,4-REMARK 900 DIHYDROXY-PHENYL)-4-PIPERAZIN-1-YL-2H-REMARK 900 PYRAZOLE-3-CARBOXYLIC ACID ETHYLAMIDEREMARK 900 RELATED ID: 2FWY RELATED DB: PDBREMARK 900 STRUCTURE OF HUMAN HSP90-ALPHA BOUND TOREMARK 900 THE POTENT WATERSOLUBLE INHIBITOR PU-H64REMARK 900 RELATED ID: 1UYL RELATED DB: PDBREMARK 900 STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE-REMARK 900 BASED INHIBITOR BINDING TO HSP90 ISOFORMSREMARK 900 RELATED ID: 1UYE RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4,REMARK 900 5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-REMARK 900 PURIN-6-YLAMINEREMARK 900 RELATED ID: 2WI6 RELATED DB: PDBREMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINEREMARK 900 INHIBITORS OF THE HSP90 CHAPERONEREMARK 900 RELATED ID: 2XAB RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH AN INHIBITOR BOUNDREMARK 900 RELATED ID: 1YC1 RELATED DB: PDBREMARK 900 CRYSTAL STRUCTURES OF HUMAN HSP90ALPHAREMARK 900 COMPLEXED WITHDIHYDROXYPHENYLPYRAZOLESREMARK 900 RELATED ID: 2XHR RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 1UYC RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5-REMARK 900 DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINEREMARK 900 RELATED ID: 2XHT RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDREMARK 900 RELATED ID: 1UY7 RELATED DB: PDBREMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(4-REMARK 900 METHOXY-BENZYL)-9H-PURIN-6-YLAMINEREMARK 900 RELATED ID: 1YET RELATED DB: PDBREMARK 900 GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN-REMARK 900 BINDING DOMAINREMARK 900 RELATED ID: 2JJC RELATED DB: PDBREMARK 900 HSP90 ALPHA ATPASE DOMAIN WITH BOUND SMALLREMARK 900 MOLECULE FRAGMENTREMARK 900 RELATED ID: 2BYH RELATED DB: PDBREMARK 900 3-(5-CHLORO-2,4-DIHYDROXYPHENYL)-PYRAZOLE-REMARK 900 4-CARBOXAMIDES AS INHIBITORS OF THE HSP90REMARK 900 MOLECULAR CHAPERONEREMARK 900 RELATED ID: 2WI5 RELATED DB: PDBREMARK 900 ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINEREMARK 900 INHIBITORS OF THE HSP90 CHAPERONEREMARK 900 RELATED ID: 2XJJ RELATED DB: PDBREMARK 900 STRUCTURE OF HSP90 WITH SMALL MOLECULEREMARK 900 INHIBITOR BOUNDDBREF 2XJX A 9 236 UNP P07900 HS90A_HUMAN 9 236SEQADV 2XJX MET A -12 UNP P07900 EXPRESSION TAGSEQADV 2XJX GLY A -11 UNP P07900 EXPRESSION TAGSEQADV 2XJX SER A -10 UNP P07900 EXPRESSION TAGSEQADV 2XJX SER A -9 UNP P07900 EXPRESSION TAGSEQADV 2XJX HIS A -8 UNP P07900 EXPRESSION TAGSEQADV 2XJX HIS A -7 UNP P07900 EXPRESSION TAGSEQADV 2XJX HIS A -6 UNP P07900 EXPRESSION TAGSEQADV 2XJX HIS A -5 UNP P07900 EXPRESSION TAGSEQADV 2XJX HIS A -4 UNP P07900 EXPRESSION TAGSEQADV 2XJX HIS A -3 UNP P07900 EXPRESSION TAGSEQADV 2XJX SER A -2 UNP P07900 EXPRESSION TAGSEQADV 2XJX SER A -1 UNP P07900 EXPRESSION TAGSEQADV 2XJX GLY A 0 UNP P07900 EXPRESSION TAGSEQADV 2XJX LEU A 1 UNP P07900 EXPRESSION TAGSEQADV 2XJX VAL A 2 UNP P07900 EXPRESSION TAGSEQADV 2XJX PRO A 3 UNP P07900 EXPRESSION TAGSEQADV 2XJX ARG A 4 UNP P07900 EXPRESSION TAGSEQADV 2XJX GLY A 5 UNP P07900 EXPRESSION TAGSEQADV 2XJX SER A 6 UNP P07900 EXPRESSION TAGSEQADV 2XJX HIS A 7 UNP P07900 EXPRESSION TAGSEQADV 2XJX MET A 8 UNP P07900 EXPRESSION TAGSEQRES 1 A 249 MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLYSEQRES 2 A 249 LEU VAL PRO ARG GLY SER HIS MET ASP GLN PRO MET GLUSEQRES 3 A 249 GLU GLU GLU VAL GLU THR PHE ALA PHE GLN ALA GLU ILESEQRES 4 A 249 ALA GLN LEU MET SER LEU ILE ILE ASN THR PHE TYR SERSEQRES 5 A 249 ASN LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN SERSEQRES 6 A 249 SER ASP ALA LEU ASP LYS ILE ARG TYR GLU SER LEU THRSEQRES 7 A 249 ASP PRO SER LYS LEU ASP SER GLY LYS GLU LEU HIS ILESEQRES 8 A 249 ASN LEU ILE PRO ASN LYS GLN ASP ARG THR LEU THR ILESEQRES 9 A 249 VAL ASP THR GLY ILE GLY MET THR LYS ALA ASP LEU ILESEQRES 10 A 249 ASN ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALASEQRES 11 A 249 PHE MET GLU ALA LEU GLN ALA GLY ALA ASP ILE SER METSEQRES 12 A 249 ILE GLY GLN PHE GLY VAL GLY PHE TYR SER ALA TYR LEUSEQRES 13 A 249 VAL ALA GLU LYS VAL THR VAL ILE THR LYS HIS ASN ASPSEQRES 14 A 249 ASP GLU GLN TYR ALA TRP GLU SER SER ALA GLY GLY SERSEQRES 15 A 249 PHE THR VAL ARG THR ASP THR GLY GLU PRO MET GLY ARGSEQRES 16 A 249 GLY THR LYS VAL ILE LEU HIS LEU LYS GLU ASP GLN THRSEQRES 17 A 249 GLU TYR LEU GLU GLU ARG ARG ILE LYS GLU ILE VAL LYSSEQRES 18 A 249 LYS HIS SER GLN PHE ILE GLY TYR PRO ILE THR LEU PHESEQRES 19 A 249 VAL GLU LYS GLU ARG ASP LYS GLU VAL SER ASP ASP GLUSEQRES 20 A 249 ALA GLUHET XJX A1232 30HETNAM XJX ONALESPIBHETSYN XJX AT13387FORMUL 2 XJX C24 H31 N3 O3FORMUL 3 HOH *198(H2 O)HELIX 1 1 GLN A 23 THR A 36 1 14HELIX 2 2 GLU A 42 ASP A 66 1 25HELIX 3 3 PRO A 67 ASP A 71 5 5HELIX 4 4 THR A 99 LEU A 107 1 9HELIX 5 5 GLY A 114 ALA A 124 1 11HELIX 6 6 ASP A 127 GLN A 133 5 7HELIX 7 7 VAL A 136 TYR A 139 5 4HELIX 8 8 SER A 140 VAL A 144 1 5HELIX 9 9 GLU A 192 LEU A 198 5 7HELIX 10 10 GLU A 199 SER A 211 1 13HELIX 11 11 ASP A 227 SER A 231 5 5SHEET 1 AA 8 VAL A 17 ALA A 21 0SHEET 2 AA 8 SER A 169 THR A 174 -1 O PHE A 170 N PHE A 20SHEET 3 AA 8 TYR A 160 SER A 164 -1 O ALA A 161 N ARG A 173SHEET 4 AA 8 ALA A 145 LYS A 153 -1 O VAL A 148 N SER A 164SHEET 5 AA 8 GLY A 183 LEU A 190 -1 O GLY A 183 N LYS A 153SHEET 6 AA 8 THR A 88 ASP A 93 -1 O LEU A 89 N LEU A 188SHEET 7 AA 8 ILE A 78 ASN A 83 -1 O ASN A 79 N VAL A 92SHEET 8 AA 8 ILE A 218 LEU A 220 1 O THR A 219 N LEU A 80SITE 1 AC1 13 LEU A 48 ASN A 51 ASP A 54 ALA A 55SITE 2 AC1 13 ASP A 93 GLY A 97 MET A 98 PHE A 138SITE 3 AC1 13 THR A 184 VAL A 186 HOH A2039 HOH A2084SITE 4 AC1 13 HOH A2198CRYST1 44.950 41.050 49.230 90.00 101.86 90.00 P 1 21 1 2ORIGX1 1.000000 0.000000 0.000000 0.00000ORIGX2 0.000000 1.000000 0.000000 0.00000ORIGX3 0.000000 0.000000 1.000000 0.00000SCALE1 0.022247 0.000000 0.004672 0.00000SCALE2 0.000000 0.024361 0.000000 0.00000SCALE3 0.000000 0.000000 0.020756 0.00000MASTER 451 0 1 11 8 0 4 6 1993 1 30 20M#?o B= AAT BvA A' BM@;ALBZ@APBxAAB0AOA B2A/AB@AL7Bʱ@DAB/ݘ@B`ADB@DAx BK@sBBI@/BBE@dBˡB7Q@ B B`@A$ Bi@ABM@&AB@A%By.@pAB?ףAZdB1?AshADD@IA|Aw_?lAB@AAB@AuB1@KAwBB@yA Bx@rAIBA@½A3B@SAѢB^@33ABj@(ABף@33AQA@AA @A;AR@zAL7A@lAAL7i@AEA;W@rAuA@AAff@IAAV@d;A7A@ףAAz@A;Az@pAJ AL7@#ێAoAo@AxB@AB@rAmB @A-A$@hA^A@X9AZdAKAd;A&A9A= A(AAA!A-AjAA@L7A;A= Ad;A}?ArA+wAA'A\tAZAshAItAXAAzbAjAuAdAAZ@OSA;A@UA|AF@bDA'1A+=ArAARJASqAAmQAZA&AYANbPAXAI^AjAPAHVA?5AVA9jATA;߼A`NAGSAASAP=AASaA1SA$AuX|aAAwNAVA!PAd;iAl@QJA-YAQ@!DAX9fA@"5AB`aA-@[AHAף@O_A:A/݌@VA;A@(NAT)AM@XQAvA@\LAyADAj6AA AK)AЇA/Aj^AAPAff2AFAff@TAA-@+ A?5AZd@x@ƋAq=@HARAo@7 AL7A@ZdAҠAT@%AwA`@@sh#A/A,@ AA@@?5nAK@Q@(hA@@'1fAA9A!ZA̰@@FAC@½@LAK@@"5A(@ AffdAAAff^A/A@pA`*AS@kA{8AHA/ZA)AC)ArFA!ACA1BANb,A/;A8AtGAXA$A%A{@"AV1A-@A-+AȢ@J AZd9A33AٕAff*AD@QA6A@&A'1A&@KA$Aa@|AAu @TA)A9@A%@jl@L7A@mK@…A@v&@\A1@^@X9jAhAVm@WAu*AZ@ZA;AA@SAJA-@'1DAd;'A&@;AAC@Q2A^7AQ@j,A Ah@VgAKAP@lkADbACS@}AzhA+@sh}AyAˡ@q=pA!jAo@\A|gAB`@-yAlAoAaAIlACS@EAB`[AV%@ A`A"?+AVA?^A$ZAO]@ʚA|[AX9@FA-hA @A)\_A@bA}A{N?jAIAF A/?AQ9AFAףPqAIA`吾Aj&AK>FAJ AԿMA A'tAOIA [ uAJ PAVn\fA%=AjnA+A ff|AyZApVjA^_A ׳_A"sAVdAPA1NAxwA`SA&UAVIAZhAochQA?AMz~BAV/AP 1A8Aף(AIA+8Aף$ApGAAVOArAB`%-OA-AͿsh_AE@9=^A'1AˡžNbfA= Aη>/uAt@?5j*Aj.AZd/A337Ap Aq=0Aˡ'1A$"AZXAZd-A ?5.A;-AX9@8At-@1AC7@+3A|w@$Ayq=@uAl\@QA( z@+$A@ AZ|P@#EAsh!@?5JAr…@^MA!r-u@-MA- @w]A @~XATˡ A-lA33$$AeA|t1AxAyFDT@QAM2l?VA{?FAB`(\>JAĐ?QZAףt?FAn>GKA"۾7=ADm>1^A쿇?2Ay醿{?t!A>Т?;%AO??HAT㵿+?| AZdS@9 Ao;?!AHz>l@ˡAZ??6A@?;A&1@L7 ??A5^z@@>y:Ab(@7@)\OA@$@ndA?(@XmASS@-?nA5^:?)\?/A>@rH?Ar?j\?OAB`?񒾁IAB`@ѿNAQ @-y:A"[@Rsh9A`?O_At?Ef+iAU@+^yrAh?hyA?5?h+Aˡ?v>PAA@I, Aj@/evA;?AA?OM@= z@Ƌ>R1@uؾC-@߿&1V@@>Ƌ?n@X9\@ff AV@A@5^ڿC A@p nAy@E>A\r@/ݔ?M@}@I?+@|@ff&?9@V=@?@Nb@d;߿5^"A"@Kj.AG@lw)AA9ˡ%Ah@ FA#@@NAz@cA/ A(RAף@/#)AC@w%A@NbA@'1T At@X+A@CAȊ@o"Ao3@w{JA`@K$Ax@P@T@F@~A^Zd@D@"33@/݈@933@A}?G@Abm@(A= @V8AHL7@h%A(DG@&!A5^꿸@T!AT?5@ AC+@shA'1H ANb(AJ Aj&A%A6AA'1ArL7+A AJ ;AA v@NbA@b A)\@L7)A/*Ϋ@E@`v@l@+,T@#A@T3Ad;@DJA ˡ@\VAVt@4AX9Rf@A A98@ˡA/$@Ap@PAB`u@PeA @tgA"@\xA,@ףhA~K@;UA,@hUACy@WA33Om@cA5^^K@XAA;I@1BAshClA +AtCA"AVPAOSˡ#A`JAJ HA@jLA Q7a@cA= QA@OkA`J @;?AC!"@'AGj$@q= AWK@TAL7;?= oAO?O@ףA!A$*q=A33O@-A+_@ ׍AFu@ˡAd;@/ݑAy\z@ԙAKmZd@҆A_B`@Aj@vAz?5@Au@Al?@MAv/@TgA@m_AFs@;GAy@w=A#ۊZD@(AvA@AEjt@?5 AEV@ffAQV@~Alj4?7AV~*?DAxŌA!r q=A/tʿ"}A!~y?5A(l/ lA/|oB`AL7m/dЈATw\ AQxff+A}+?33AOX?X9A-X@VA"'1?ArnV @lA9Xb?A/G@&A4?pA7K6@{A̎XA@GAj@A¢x1@A(/D@!A~= @ȒA${@KA?Ar";?vAk>KAoffAr}?Ar^zAffƿA/Q8A5^ 0=(AZHAZ?A+>AVpA?5ozAjz Au?HAң*@;A¤-@ףAҜV@A~"@ ARb@$APX@/APf@VAj@jAKM@~A;߫R@A(AAtO@mAq=@XA)\g@A@xAZ@!AffnAAsh-AjAԤ@AS@shA+@= A= R@AwF A\AA= A +@rAz= @AxL7@'1Al?5V@A$h ? AOvAҰAЕ\"A-AO7AzA GAAžVAAJ Z AЛApNbATAv ANbAshC7AAJAtAXG]AA/ݖ oAAVhEA|AX;AL7AM"7AshA7o9A#ANbFWAzANbfAA mAyArIxAHAq=l[A|A#krFAAd;J hAAynA`ARff^AEAt#KArAZ\dA“Aף/TA·A= PQAffAPwAAAZZASAV\\AA)\QAd;A\QPACAvdA+A/ݚ`A(nAƙA`AgAX9VA}?oA9V]A/dAjwAMA7 xAh?A+ffxA#9AZdfA339A= A|YAEFAmQAd;:A;A}?CAu,Aˡ}??AQAj"AfA|AeA+Zd@OwA$ AE:AvjPAm%ApwYA#AY`Ax3A'1N)\_A AblA,AL7}ABAwyAX'A'1B`AwIAoyAP9A33}ffAARPgA% ABBV@|?XAd;@L7 @~Aˡ@+@ZA)\@Sc@A-A? AQA!R?A+A>/AK+A~ ?^Aҹ@9@QAA@%1@AZ@+'@J A@a@Aˡ@ @AAuP@@nAu8@)\@&A+^@J @A%a@CA+A>@ AA@AA@P?DAC@p?nA@/]An@nA;AjA5^LA~7AAcA9;YA\xATCVA}AˡC>AshAS(6AoyA!Zu`A+fAIf}?YAMxAXFyA}?yA714A~Ah/;AX9Aw+A Ar.J (AFA/%AAF!@shAZdV A-A! A?5A"@ȤA Zd@A }?@Aˡ+X@xAjA)\A~j AHAL7AnA+H@7AAAt- A+AcDA/Ajd%A)\A#!5^AęA^!5^AtAO/ A= A"˿~&A ADL/AAr0&ACAX AξA?5  AA= 75^@)\A(M@tAJ 7@zAu8AAh-? AA?SAffA/@AyAD?EAA@7)AAX1@H,AHA|@6A^A&@5A{Am?z@GAV?@ZAb?ҵ@AJ 2@@A?@= A?u@B`A9>@٫A?)\@An?J @$AE%@5^Aq=@%A˿u@AP@ANb?(@?5Aq=@j ARAVn@\A/ݡA@lAA@)\#AˡA)\?w3AA?$HAAd;?7ANbA@NbA AJ @= @bAL7@^@ףA @ff@KA7@;@VAʽ@zA?5A)\@@bAȶ@HA+A@@㥩Aff@h@A @…@^A{@Xa@rA}?@V=@AЎ@-@ ׻AZ@x@#۾A33[@L7 @TAP@J @B`A+v@@|A@@h}AX9@@CA&@@X9A`?A@nA?@@Au>t@L7Al@^@&A@nARA@zAVAJ @IAˡA}?@AAZdk@#AjAC@I.A sAl@'1AA$@@AAAo@A`$A@A^7AX9@NbAAZd@ʦA*A@NbA{2AԈ@RABAu@$ANbA~@d;A+A@rACAff@-AX%A_@XAff*A@Ash+A^?AQ"AK@AA? מAwA?AA?GA@?-A5A33?TA?58AL=VAy"AĠ!AAMBAFA"mA"!A)\aA5^ASAuA;߿IJA-'AjԿRA#AV ?^A@?ˡaAS@)\?KsAƫ@J @mAί@? SAu Aˡ5%GA5^A(0AQAMrX9(A&AFDAL7@XAz@㥣R$A Ar8EA&A+/?5A $ADܿ@w)A1̿Ao-Aˡ= A+"'ATCAD?Q4A1Ab?! A"OA@H At[AAnA\@;iAn@tAM9AxyA-=AB`A-+AAQhS@OA5?@*A)\>^y@ף"A?R&@AA?@x%A6@ ?SA@ [@VAx@ @/Ahe@o@]A"?@vpAV?>@m{AD ??ˡAَ?㥧@/A?@d;uA'1 @9@?5AJ J@&A9A?L7I@d;}A$Fu@ A ˿H?|A&xrA&@ABRn@;ߍArHr@\AV@GA^O]@A{N?B`gAXzԾZAPffD^Aj<=`A>QxCA#۹Dlp_Am?B`E"cA@rRxAV@%o{A9@ >vbA^@xI?bLAEv@I?NA@L7ɾj>A+@j</A?bA?/$A?X#ۖAu?/$A9?n?7At@l@+A?9@ffAC@&@Ap>5OAMb>y‡A+/ݤB`AB`e>/bA𧆾RvƂAJ X$zA7? ׷#mA @%FUA7@5^?5JA"@^MA1?u6A5^?,Ay.@&7Ad;o@mCP1A$?vA 3@Ɨ AE@SxAl@#tAz\@ ׳(@v@;߻ @㥯@z@@A@@33;X Am@Qȿ A@Kn@l@Ļj@ˡ@|A@%>A(@ffx@CA&Q?Ao@ @+@u~@X@A@wo@\ X@a@shQt@@SC+@I@RT@9@Ĭ@%?&?v@?K?@Om?VMZd@'1H?- l@%>w= @5휿j@ Z?E@oC@-=@(@V@x@Z@ף8@@r@@~J@V@F@m@(@@B`5@@@@o@w@ˡ]@shi@B`E@%@ @{.@+@@O?@T @U?e@S+@^>Ev@*@$B`@i@C@^@%!I$@= ?@y?h?̿n> @ #=q=B@K"[= @X9@@";M@+@@Ȳ@R#A@QX~@M@ ‰@|@+Nb@@?5@xX@ A;9?;@33;_@AZL}? @ A6 @5^@B`AM@?9(A"@ @\A@ @A@7i@xAj@#ۙ@C@@@ AB`@d@ffAQAq=2@@Ab8@{@ ׇ@T@;@Vf@H@@rh@m@@+n@A( A(d@b@hAa@ A A|@B`A AZd@V*A.Ajd@ A8Ay@vA7AQ@@|-AAA%@Aj@AU@GAAjJAS@Zd3AFIA@DA! A@o AAz@-A@#@h!AD@q=Ax/A AlAx A#AAAq=2A A%AA,Al@t@HA& A ABAEA@NbPAA@AfAoA5^@@P@+A@R@%AI@-@33=A@"@IA@T@EA@1l@`An@㥫@MDAX9@@HZA @x@gAsh@u@XyAL7@@{`AR@@K]A@7 AgAȚ@-AiA^@?5&AZtA"@rA^A9 APA-dAAAwwAA- A/WA{(AA}A +Aq=A"]A3A ApAq=HAmAZvAz@ A`A @'1AcA@  AnzA?AA+?!@VUAj?(A"=Aҍ?+@0A?ˡA6AC3@@ƁAff@@!A}?e@C@33A S@|@ʞAZd?@-A1,?@xAhE@R@Av@b@^A@@(A@ AtAG@DA%A@v@\AM@yAA= @~&AVA}?Av"A&Aw!A71A$A@12AhAB`@ #ATAj@u.AAR@q=@AAX@%AA)\Aq=A$A1AbAA1A= @SA$Ar@!Aˡ=AO AAuTAuAzA_ARA= A7sA@EAJ A~@GAף@A^@1AnBA@jAYA\@;ߒAhgAL7@Aj:A­@A>A@ffA9"AP@A]Av@ZdAsAzT@ƖASsA?5@tA'1dAu?AyAף8@'1AwAA@jAshAh@9A\A?rAlA K?vAZdAT%>bAFAffF?bAA?tkA?5A<~\AQnA?X9fA?5Ax(A{AL7AA7A?5AmcFAIA9 AlAjĿ;ߞAAGIףA`AL7ɾxAd;A=FyA&AygA;߬AgAAҁnA̟A~JzRAvAtB`AAƨA hMAA= _AAX9(^A|A"bJAAwIFAATqA~AQpAA&mqAAo tsAA\^AAAHq=\ANbAyFA'1A5MAA p%CAA}?u?lAFA?lAXA+6@AȱArp@AAH?hAA@@A?5A@|AuA@\AGA@MAQAd;@AfAA@ZAA"@`HAAµ@x]A A^@XAAA)\@LAjAԬ@GkA= A5^@IA rA/@+iA'1pAz@XA33A@#ۆA)\Ad;@AASAPAA/Ah AAʒAd;@AףA@'1AJ A/@nA A ׷@AԏA@AAAԋAyzADAA;eA-!AffAPWATAtATwAA;yA qAA4AZtA/dA5AoAd;QA>A)\A?5JA?5PAzA-?A_ADAUAGA7AZZA 6AAOAXMAOAEJAu\AwAwUAqA{ADhAshqAPAm1A+_AuAKAAPwAWAċA{AX9jAZAKkAvxAAnAjjAbA ZAjzAA7IAԇA ALAĎA Ad;?AAwA)\]AВA33mAjbAQA-VAhA/݈A PApAƖAxA%wAAQrAh}AAtIA;eAAo3AulA= A-AˡqAjAT7A!jAA#A-[AvA?5"AhGAB`At/A+6AACA!DA+ANb,A%#AAAt1A!AAv A7A9A+~A~AA+AA@+|AĪAD@z|AjA?5AGAwA AHAдA/A-AA@TwACA!@J tAtA@PAyA @QAxA@\AZA@uZAjA"@NA|A^@ΈA AV@J A1AC;@nAA1@KAxAM@ZA%AX@AAE@ΫA`Ah@'1AwAD4@1AbA?OAIA@㥷A1Ab(@ApA?OARA>?œAA!? AA\?= A/A1?AףA/?;߇Ad;AAIA^I)\AyArªApAd;?AAٞAZdAjĿ תAEAjADAAAnHAAw7ʺAAZ}?AyAJ d;AAq="AA~q=AHA'еAAEoA/A"c'1AAVAAshAAbAA;#AA)\AnA)\ATAAAKAAMhAAtOAzA ATAȹA¹ASL7AnAt+AAy #ۯA#AuA33AL7ȼAnAy33A?5AotAB`A -A קAr,"AvA$6= AAj "AlA%AA|A|A#ۙAAH0$A7AFC\AlA= =ARAˡ;7uA^AX9ExA5^Ax19bAƝAA*%aAhAS5hAABRA A:ף:AOA`Lj*A= AW-AA+k5AoAZv1:AvACs9A ANb'1VA5^Ab~RAoAB`XAԗA(\AoAX[AȃAaA+vAsApgAVrAAAZdd;MAGA9V?AvAdQA xAףwAffhAL7ADbAvF-AHpArwA+sA5^+AdA ׏Ad;qA/݌SAzAжHA1A/XATMA\2+AX9FAtKA$:AAđAff*A$-A;7A/{Aff2Aq=>uzAmCA9fAXAAF9AZd7Ad;_>AF+A?FA5AI$@㥞AIHAԸ> AAVAZdoAV=AP7?!APiAV.rA+A?A A+@ΠAAM@ΫA+@'1 @L7AV@+@A @Nb?GA33@S?!A{AV@A% A@XAzA@ˡAb@q=@bA&@@&Ad;A&@~A(AC@A8Aff@bA-AJ @!AFAq=@A+@A@ AF@S@ٸA+@b@q=Ay@@A#ۑ@{@A-]@Nb@9AId@[@AJ @"@#۴A(d@i@Aa@B`@MANb@@ACA? AVA?5?$@A^@AAHZ@l)AnA}?-@X92AuAk@4AEAD@?5>AA5^?XAJ A?zAbAXAjAѿr AZdA >-.A-AF|+AX9AA`X98A(A;2AHA}??hGAAAopAd;AB`AA(AAd;WAGAQ@/AjA7AvAj.A^ApGAA@CA= @5^A/݄{@hAT%^@ٯA$@ZdAҾ5^AAڿA}?A A'1A w@tA= M@AJ I@wAhR6@{Ad;?rA~@AyM@AC =@X9AEF@GAwq=@A/Lc?yATeNb5^A;ߟZd#@ٰAEC@lA-pe@ZdA{-@+Am1@?5AC?/A/`P>J Aw߾1A~>}?ſ1Ah P?}?A}?v?ƘAB`7A?ASr8@A9İ?/AVXa@Al7%1@AOm`X@AwGAtAA+AJ " X/A+>}?NbA?H>-A+??A.@IAr-ffAQףXDARPd;A$V33Aףh-OAˡVͿ^AK}?AJ/AowAnRATB`Ar{AʍVHAK_?5A\rRA-uq=,A7ab*pAˡ=AB`+ARyffAQ̸"A/KATA`\AD$r A7+ ײAKD#ۮAMMDA[%AuSA?5n$A/nAЏAyVAR ףA/5^ZtACZ>jA`>A}?NbAQ!?J AQh&ˡA%&oAJRhA=AErVA/=^vAZdKAV->D~AvwA$ff^A"-Av m{AVw$AĈ{"Aٚ6B`A?52A%%GwAV"$A/)\ASK)\oAVףL7]AV ׫shAB`Al+AˡO]ZA,VAҥGsA \33aApvNbTAvfL7AA{vq=R%gA+b^uAOqAffO{ArPlH^A$33d;SAX?5RDAEFt 1Aq=ڿ bA-VA(/mA̐ MAףv!@Awo -Aq=)\TAFףNA-&-`Aʱp? YAj#SfA\v` _At`1A(Vy Aף!AyI@5^33j*A+jAd;9 A #h/ACJ j,AXAX9dz33AJ /@ܿ1$@Nb@?5T A'1=MA'1 Ahd;j@5^ſ-A1}?AEF9 AkoZd A!x# AB`O%A!> L7A?5^>-j*Ayy -@n7o@İC@$V:\@Fs/;t@d;-x@wK1Zd@?@Nb$ @D\X~@Tvf+@(|?$^7@+?Z^M@ljlƟ@yt@--yף@bXg@D+\@~nv@+@?V@=@O@d@f)\@9@@t?5@DT@jB$A'@Zd-SA^@|? Aff6@!@P@Ci@Ԥ@~@!@‚M@5^@Zd@J @{ AB`@pIA@V0A@sd;1AT@!p(AX9 AZp'1 A-AA AXaQ@H&AZd@ZdAax@ף"AZdqR@t-A5^r@@j@A@|SA9@ףv_Ar@/n aAL7@bAH@VA@ZBA@bn!fAԌ@X9Z}?sA-z@`wAX94@;iЅAj\@)\IiAL7y@B&SAm[@d;5-wA&9@333&IAE@[Ah@`Aq=@^KƝA5^@F=jA}?@MlȝA@(An@brnA$>@\JA--@7KAH@uV3A>D2HAT>{JA?T/A)\?"&A +?B`%`AY=tB;/@F A9H@ B@ˡBҩ@L7Bvf@oD BK>9AVV=JBm狿K B! /PX BFAp 8A(EFAoDRAԌL7OL7A=R'Bjt>/b1 BĠ?[.B'1?li= B-?ffxw B33r+BG> 'B?Zd BO9A"? G3BV@-?yB@E)Bd;_?BB~*@m'BC{@z B@)\ lBA@yJ Bw@d;vB5^@z,B@\)Bj<@+O@Bd;'@U!#B@lAs&B&I@b27&Bo@vbX9&B @vu#BM@shB BƧ@~#B%?A`e*B?33/-Bh @'d;1B@zB`2B&1211BʡD5Bm竿X9D8BtQF=B/ݤ9hb AA HOH?ffA ? AA HOH?A @ AA HOH? B A AA HOH?AB AA HOH?BC AA HOH?r >AA HOH?{.B?s ?AA HOH?=  A HOH?ffA ? A HOH?A @ A HOH? B A A HOH?AB A HOH?BC A HOH?r A HOH?{.B?s A HOH?= Ad;?@(A`$GO;AzAlYAZd@ A/A AS?ȁAףQ@^A9O@TAXy馾 A7An A̳D&ANbA9?tATX9AAz;߃AOA#ۧXAEA+33A1BAHAX9$A)\IA A-ˡuAA)\q=(AZRA%-A^;ARx|AAFALA5^0jA"u0Av@NbAlAAAGY@̔AbVA@OB= MA/$?AK%A-@A}?=@٠{ByA+6#AFAF33A~>A1aAOADt%AoAh+oAAA7S@A+R@AԠX9d@%A@A$AH2@ЕA'1('1@?5VAd@@)\A8@Q?AA@= AjpA'10@AOOA@wAˡA{@A@bA|SAlAA ( qA1@l AFAB`/A@33ÿ ZAX9HA?5>?-6AvRAd;7-?(A˿uph[AK@V A>+ˡ-A@K@@-MB?̴@AM?忤p@ @V5@/Aj?7A.ASk@'1@XoA@X@O@@ =A@t;AA-AYA^ADpA9@@NbAA ="kAʲAd;nb@$AA5^@MAhn@ZdAFB`=ABMҿΈAxA5^=AHaB33sQ2AkBX9;KA)\AMAL7AshXA= ASC}?A!APOArA0A חA"Aף@5^AuA;WA}?AshAo-A;ߥA㥆AL7A5^A;AhA ]ASOAoAHDA= AyA'1ARA}?SAƏA;߮A@җACA9@mqAMAC?rAshBH@|ARAB`-AA^A^AyAĕA"kpA-Aj8q=AA4VQAAD{AA_;uA;߈AB`%#ۅAAxeAAl>GAwA^I @A}?Axy)AAV.H?AbP@bA"H@GAD<)\AbMA= Om X9Aq=BȾRA33SٹA/IX9XAhWGIlA5^:S9Aq=ڿ%@AྴLI.A?5 A-=)\Σ@K?p3k@+@5^'1@n@-ud;3A@y}?Av@AJ@lBھt Ar?BI ?B$@shs Bx)AuXB-]@ףˡ B #O/] B!@YB{@~B%B/$?hqBӾJ dy*B~*@T9B|?ă.B@{VEBT@~7B@5^>BGA`pffHA &XJX_A_1232CCCcccCONCccccCNCCNCCCccCcOccO     C1 C2 C3 C4 C5 C6 C7 O8 N9 C10 C11 C12 C13 C14 C15 N16 C18 C19 N20 C22 C23 C24 C25 C26 C27 C28 O29 C30 C31 O32OEMolResidueV2@?XJX?ףxA AA XJX?OA AA XJX?HnA AA XJX?zA AA XJX?q=~A AA XJX?)\CA AA XJX?A AA XJX?RFA AA XJX?)\WA AA XJX? WA AA XJX?= WA AA XJX?RA AA XJX?q=A AA XJX?ףA AA XJX?QB AA XJX?[B AA XJX?)\xB AA XJX?B AA XJX?B AA XJX?{B AA XJX?(B AA XJX?)\oB AA XJX?zA AA XJX?IA AA XJX?@A AA XJX?R2A AA XJX?33CA AA XJX?HFA AA XJX?Q,A AA XJX?SA AA :?XJX?ףxA A XJX?OA A XJX?HnA A XJX?zA A XJX?q=~A A XJX?)\CA A XJX?A A XJX?RFA A XJX?)\WA A XJX? WA A XJX?= WA A XJX?RA A XJX?q=A A XJX?ףA A XJX?QB A XJX?[B A XJX?)\xB A XJX?B A XJX?B A XJX?{B A XJX?(B A XJX?)\oB A XJX?zA A XJX?IA A XJX?@A A XJX?R2A A XJX?33CA A XJX?HFA A XJX?Q,A A XJX?SA A i?ף\A>,APQAshѾ1A= YAZd;>AzTAfftAJ fA# A|iAZd{DA?5|A?5 AxAA!|AV@VAz@ A`@OA|@lAzE6@lA2@_AV?dA ?dA?j??5jA$?SANbA33S!r~A'1PyyA~vdA!X9|@MpA@jA#ۅ#@p[A A^A"AJAVD*AFA-'1(A5An ;1A