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*** gal1_monomer_wt ***elNémo ID: 2405021233474105405Job options:ID = 2405021233474105405 JOBID = gal1_monomer_wt USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER gal1_monomer_wt HEADER LECTIN 19-AUG-04 1W6N TITLE X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: GALECTIN-1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BETA-GALACTOSIDE-BINDING LECTIN L-14-I, HPL, LACTOSE-BINDING COMPND 5 LECTIN 1, S-LAC LECTIN 1, GALAPTIN, HBL; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: GALECTIN-1; COMPND 10 CHAIN: B; COMPND 11 SYNONYM: BETA-GALACTOSIDE-BINDING LECTIN L-14-I, HPL, LACTOSE-BINDING COMPND 12 LECTIN 1, S-LAC LECTIN 1, GALAPTIN, HBL; COMPND 13 ENGINEERED: YES; COMPND 14 MUTATION: 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: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: SCS1; SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PUC540; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PH14GAL; SOURCE 10 MOL_ID: 2; SOURCE 11 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 12 ORGANISM_COMMON: HUMAN; SOURCE 13 ORGANISM_TAXID: 9606; SOURCE 14 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 15 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 16 EXPRESSION_SYSTEM_STRAIN: SCS1; SOURCE 17 EXPRESSION_SYSTEM_VECTOR: PUC540; SOURCE 18 EXPRESSION_SYSTEM_PLASMID: PH14GAL KEYWDS LECTIN, CARBOHYDRATE-BINDING PROTEINS, GALACTOSIDES, GALECTIN EXPDTA X-RAY DIFFRACTION AUTHOR M.I.F.LOPEZ-LUCENDO,D.SOLIS,H.KALTNER,H.J.GABIUS,A.ROMERO REVDAT 5 13-DEC-23 1W6N 1 REMARK REVDAT 4 24-JUL-19 1W6N 1 REMARK REVDAT 3 08-MAY-19 1W6N 1 REMARK LINK REVDAT 2 24-FEB-09 1W6N 1 VERSN REVDAT 1 20-OCT-04 1W6N 0 JRNL AUTH M.I.F.LOPEZ-LUCENDO,D.SOLIS,S.ANDRE,J.HIRABAYASHI,K.KASAI, JRNL AUTH 2 H.KALTNER,H.J.GABIUS,A.ROMERO JRNL TITL GROWTH-REGULATORY HUMAN GALECTIN-1: CRYSTALLOGRAPHIC JRNL TITL 2 CHARACTERISATION OF THE STRUCTURAL CHANGES INDUCED BY JRNL TITL 3 SINGLE-SITE MUTATIONS AND THEIR IMPACT ON THE THERMODYNAMICS JRNL TITL 4 OF LIGAND BINDING JRNL REF J.MOL.BIOL. V. 343 957 2004 JRNL REFN ISSN 0022-2836 JRNL PMID 15476813 JRNL DOI 10.1016/J.JMB.2004.08.078 REMARK 2 REMARK 2 RESOLUTION. 1.65 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.65 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 23.81 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1297796.430 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 37483 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 SET) : 0.210 REMARK 3 FREE R VALUE : 0.225 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1870 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.65 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.75 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.50 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 5846 REMARK 3 BIN R VALUE (WORKING SET) : 0.3140 REMARK 3 BIN FREE R VALUE : 0.3260 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 286 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.019 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2059 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 218 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 16.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.60 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.87000 REMARK 3 B22 (A**2) : -1.17000 REMARK 3 B33 (A**2) : -0.71000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM SIGMAA (A) : 0.18 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.24 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.20 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.300 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.20 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.830 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.150 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.870 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 1.910 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.890 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 39.82 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : SEO.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN_REP.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : SEO.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1W6N COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 19-AUG-04. REMARK 100 THE DEPOSITION ID IS D_1290020830. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 5.60 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : X11 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9073 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 37567 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.650 REMARK 200 RESOLUTION RANGE LOW (A) : 23.810 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 5.000 REMARK 200 R MERGE (I) : 0.06000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.65 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.75 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.7 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.28000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1GZW REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 52.40 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.60 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALS WERE OBTAINED IN SITTING REMARK 280 DROPS BY MIXING EQUAL VOLUMES OF THE PROTEIN SOLUTION (10 MG/ML) REMARK 280 AND THE PRECIPITATING BUFFER (2M AMMONIUM SULPHATE AND 1% BETA- REMARK 280 MERCAPTO ETHANOL, PH 5.6), PH 5.60, VAPOR DIFFUSION, SITTING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 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 18.40450 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 46.82400 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.13150 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 46.82400 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.40450 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.13150 REMARK 290 SMTRY3 4 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 300 REMARK: FOR THE HETERO-ASSEMBLY DESCRIBED BY REMARK REMARK 300 350 REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 MAY REGULATE CELL APOPTOSIS AND CELL DIFFERENTIATION. REMARK 400 REMARK 400 ENGINEERED MUTATION CYS 2 SER AND GLY 65 ASP IN CHAINS REMARK 400 A AND B. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 SG CYS B 2016 S2 BME B 3135 2.11 REMARK 500 SG CYS B 2088 S2 BME B 3136 2.14 REMARK 500 SG CYS B 2130 S2 BME B 3137 2.15 REMARK 500 O HOH B 4109 O HOH B 4110 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A1002 -148.27 -125.94 REMARK 500 SER A1029 157.07 174.06 REMARK 500 ASN A1050 89.04 -156.17 REMARK 500 PRO A1078 49.79 -80.07 REMARK 500 CYS A1130 148.14 -171.75 REMARK 500 SER B2002 -170.75 -61.76 REMARK 500 ASN B2050 88.03 -155.80 REMARK 500 ASN B2056 58.01 37.43 REMARK 500 PHE B2077 74.24 -150.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 700 REMARK 700 SHEET REMARK 700 THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN REMARK 700 ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, REMARK 700 TWO SHEETS ARE DEFINED. REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A2135 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A2136 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME A2137 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME B3135 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME B3136 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BME B3137 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1GZW RELATED DB: PDB REMARK 900 X-RAY CRYSTAL STRUCTURE OF HUMAN GALECTIN-1 REMARK 900 RELATED ID: 1W6M RELATED DB: PDB REMARK 900 X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH REMARK 900 GALACTOSE REMARK 900 RELATED ID: 1W6O RELATED DB: PDB REMARK 900 X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH REMARK 900 LACTOSE REMARK 900 RELATED ID: 1W6P RELATED DB: PDB REMARK 900 X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH N- REMARK 900 ACETYL- LACTOSAMINE REMARK 900 RELATED ID: 1W6Q RELATED DB: PDB REMARK 900 X-RAY CRYSTAL STRUCTURE OF R111H HUMAN GALECTIN-1 REMARK 999 REMARK 999 SEQUENCE REMARK 999 CYS 2 ENGINEERED TO SER. GLY 65 ADDITIONAL MUTATION TO ASP DBREF 1W6N A 1001 1134 UNP P09382 LEG1_HUMAN 1 134 DBREF 1W6N B 2001 2134 UNP P09382 LEG1_HUMAN 1 134 SEQADV 1W6N SER A 1002 UNP P09382 CYS 2 ENGINEERED MUTATION SEQADV 1W6N ASP A 1065 UNP P09382 GLY 65 ENGINEERED MUTATION SEQADV 1W6N SER B 2002 UNP P09382 CYS 2 ENGINEERED MUTATION SEQADV 1W6N ASP B 2065 UNP P09382 GLY 65 ENGINEERED MUTATION SEQRES 1 A 134 ALA SER GLY LEU VAL ALA SER ASN LEU ASN LEU LYS PRO SEQRES 2 A 134 GLY GLU CSO LEU ARG VAL ARG GLY GLU VAL ALA PRO ASP SEQRES 3 A 134 ALA LYS SER PHE VAL LEU ASN LEU GLY LYS ASP SER ASN SEQRES 4 A 134 ASN LEU CYS LEU HIS PHE ASN PRO ARG PHE ASN ALA HIS SEQRES 5 A 134 GLY ASP ALA ASN THR ILE VAL CYS ASN SER LYS ASP ASP SEQRES 6 A 134 GLY ALA TRP GLY THR GLU GLN ARG GLU ALA VAL PHE PRO SEQRES 7 A 134 PHE GLN PRO GLY SER VAL ALA GLU VAL CYS ILE THR PHE SEQRES 8 A 134 ASP GLN ALA ASN LEU THR VAL LYS LEU PRO ASP GLY TYR SEQRES 9 A 134 GLU PHE LYS PHE PRO ASN ARG LEU ASN LEU GLU ALA ILE SEQRES 10 A 134 ASN TYR MET ALA ALA ASP GLY ASP PHE LYS ILE LYS CYS SEQRES 11 A 134 VAL ALA PHE ASP SEQRES 1 B 134 ALA SER GLY LEU VAL ALA SER ASN LEU ASN LEU LYS PRO SEQRES 2 B 134 GLY GLU CYS LEU ARG VAL ARG GLY GLU VAL ALA PRO ASP SEQRES 3 B 134 ALA LYS SER PHE VAL LEU ASN LEU GLY LYS ASP SER ASN SEQRES 4 B 134 ASN LEU CYS LEU HIS PHE ASN PRO ARG PHE ASN ALA HIS SEQRES 5 B 134 GLY ASP ALA ASN THR ILE VAL CYS ASN SER LYS ASP ASP SEQRES 6 B 134 GLY ALA TRP GLY THR GLU GLN ARG GLU ALA VAL PHE PRO SEQRES 7 B 134 PHE GLN PRO GLY SER VAL ALA GLU VAL CYS ILE THR PHE SEQRES 8 B 134 ASP GLN ALA ASN LEU THR VAL LYS LEU PRO ASP GLY TYR SEQRES 9 B 134 GLU PHE LYS PHE PRO ASN ARG LEU ASN LEU GLU ALA ILE SEQRES 10 B 134 ASN TYR MET ALA ALA ASP GLY ASP PHE LYS ILE LYS CYS SEQRES 11 B 134 VAL ALA PHE ASP MODRES 1W6N CSO A 1016 CYS S-HYDROXYCYSTEINE HET CSO A1016 7 HET SO4 A2135 5 HET BME A2136 4 HET BME A2137 4 HET BME B3135 4 HET BME B3136 4 HET BME B3137 4 HETNAM CSO S-HYDROXYCYSTEINE HETNAM SO4 SULFATE ION HETNAM BME BETA-MERCAPTOETHANOL FORMUL 1 CSO C3 H7 N O3 S FORMUL 3 SO4 O4 S 2- FORMUL 4 BME 5(C2 H6 O S) FORMUL 9 HOH *218(H2 O) SHEET 1 1 1 VAL A1005 LEU A1011 0 SHEET 2 2 1 CSO A1016 VAL A1023 0 SHEET 3 3 1 PHE A1030 ASP A1037 0 SHEET 4 4 1 ASN A1040 ALA A1051 0 SHEET 5 5 1 ASP A1054 ASP A1064 0 SHEET 6 6 1 ALA A1067 TRP A1068 0 SHEET 7 7 1 GLN A1072 ARG A1073 0 SHEET 8 8 1 VAL A1084 PHE A1091 0 SHEET 9 9 1 ASN A1095 LYS A1099 0 SHEET 10 10 1 GLU A1105 PRO A1109 0 SHEET 11 11 1 ILE A1117 GLY A1124 0 SHEET 12 12 1 PHE A1126 ASP A1134 0 LINK C GLU A1015 N CSO A1016 1555 1555 1.33 LINK C CSO A1016 N LEU A1017 1555 1555 1.33 LINK SG CYS A1088 S2 BME A2136 1555 1555 2.03 LINK SG CYS A1130 S2 BME A2137 1555 1555 2.00 SITE 1 AC1 8 PRO A1109 ARG A1111 HOH A2090 HOH A2091 SITE 2 AC1 8 HOH A2092 ARG B2018 LYS B2099 BME B3135 SITE 1 AC2 4 GLU A1086 CYS A1088 LYS A1099 LEU A1100 SITE 1 AC3 2 CYS A1130 VAL A1131 SITE 1 AC4 5 HOH A2049 SO4 A2135 CYS B2016 CYS B2088 SITE 2 AC4 5 ILE B2089 SITE 1 AC5 6 ARG B2018 GLU B2086 CYS B2088 LYS B2099 SITE 2 AC5 6 LEU B2100 HOH B4126 SITE 1 AC6 4 ARG B2018 CYS B2130 VAL B2131 ALA B2132 CRYST1 36.809 88.263 93.648 90.00 90.00 90.00 P 21 21 21 4 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 0.027167 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011330 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010678 0.00000 MTRIX1 1 -0.376010 -0.363020 -0.852550 66.48558 1 MTRIX2 1 -0.370720 -0.784280 0.497460 68.03501 1 MTRIX3 1 -0.849230 0.503110 0.160310 19.07876 1 ATOM 1 N ALA A1001 1.326 41.034 32.733 1.00 45.63 N ATOM 2 CA ALA A1001 0.257 41.791 32.021 1.00 45.31 C ATOM 3 C ALA A1001 0.848 42.968 31.251 1.00 44.63 C ATOM 4 O ALA A1001 0.187 43.553 30.390 1.00 45.75 O ATOM 5 CB ALA A1001 -0.785 42.290 33.023 1.00 45.60 C ATOM 6 N SER A1002 2.095 43.309 31.565 1.00 42.82 N ATOM 7 CA SER A1002 2.777 44.416 30.904 1.00 39.54 C ATOM 8 C SER A1002 4.110 43.942 30.328 1.00 36.75 C ATOM 9 O SER A1002 4.241 42.787 29.920 1.00 37.86 O ATOM 10 CB SER A1002 3.010 45.555 31.902 1.00 40.47 C ATOM 11 OG SER A1002 3.464 46.727 31.248 1.00 40.91 O ATOM 12 N GLY A1003 5.095 44.834 30.292 1.00 31.78 N ATOM 13 CA GLY A1003 6.395 44.470 29.763 1.00 25.73 C ATOM 14 C GLY A1003 7.479 44.512 30.825 1.00 21.72 C ATOM 15 O GLY A1003 7.221 44.864 31.970 1.00 20.33 O ATOM 16 N LEU A1004 8.696 44.160 30.433 1.00 20.31 N ATOM 17 CA LEU A1004 9.836 44.149 31.342 1.00 20.06 C ATOM 18 C LEU A1004 10.086 45.514 31.983 1.00 19.50 C ATOM 19 O LEU A1004 9.951 46.553 31.332 1.00 17.74 O ATOM 20 CB LEU A1004 11.087 43.709 30.580 1.00 22.58 C ATOM 21 CG LEU A1004 12.406 43.637 31.347 1.00 23.53 C ATOM 22 CD1 LEU A1004 12.339 42.512 32.369 1.00 25.07 C ATOM 23 CD2 LEU A1004 13.550 43.395 30.372 1.00 25.63 C ATOM 24 N VAL A1005 10.439 45.501 33.265 1.00 17.71 N ATOM 25 CA VAL A1005 10.750 46.718 34.008 1.00 18.09 C ATOM 26 C VAL A1005 12.081 46.496 34.714 1.00 18.86 C ATOM 27 O VAL A1005 12.223 45.551 35.487 1.00 19.28 O ATOM 28 CB VAL A1005 9.690 47.034 35.084 1.00 18.04 C ATOM 29 CG1 VAL A1005 10.126 48.251 35.895 1.00 19.80 C ATOM 30 CG2 VAL A1005 8.337 47.288 34.435 1.00 17.95 C ATOM 31 N ALA A1006 13.054 47.362 34.451 1.00 18.18 N ATOM 32 CA ALA A1006 14.366 47.229 35.078 1.00 18.09 C ATOM 33 C ALA A1006 14.753 48.509 35.805 1.00 18.93 C ATOM 34 O ALA A1006 14.602 49.606 35.266 1.00 18.14 O ATOM 35 CB ALA A1006 15.412 46.888 34.028 1.00 18.92 C ATOM 36 N SER A1007 15.249 48.364 37.031 1.00 18.10 N ATOM 37 CA SER A1007 15.664 49.508 37.833 1.00 19.81 C ATOM 38 C SER A1007 17.113 49.343 38.293 1.00 19.96 C ATOM 39 O SER A1007 17.688 48.258 38.181 1.00 18.21 O ATOM 40 CB SER A1007 14.734 49.675 39.039 1.00 20.84 C ATOM 41 OG SER A1007 14.739 48.520 39.858 1.00 25.09 O ATOM 42 N ASN A1008 17.699 50.423 38.804 1.00 22.39 N ATOM 43 CA ASN A1008 19.088 50.410 39.255 1.00 24.19 C ATOM 44 C ASN A1008 20.044 50.200 38.087 1.00 24.79 C ATOM 45 O ASN A1008 21.110 49.611 38.248 1.00 24.62 O ATOM 46 CB ASN A1008 19.301 49.307 40.292 1.00 27.25 C ATOM 47 CG ASN A1008 18.182 49.236 41.300 1.00 29.33 C ATOM 48 OD1 ASN A1008 17.079 49.724 41.058 1.00 31.68 O ATOM 49 ND2 ASN A1008 18.459 48.620 42.444 1.00 33.10 N ATOM 50 N LEU A1009 19.665 50.689 36.910 1.00 24.01 N ATOM 51 CA LEU A1009 20.499 50.536 35.719 1.00 25.54 C ATOM 52 C LEU A1009 21.809 51.301 35.813 1.00 25.96 C ATOM 53 O LEU A1009 22.836 50.854 35.303 1.00 27.11 O ATOM 54 CB LEU A1009 19.745 51.000 34.470 1.00 25.90 C ATOM 55 CG LEU A1009 18.669 50.071 33.907 1.00 27.29 C ATOM 56 CD1 LEU A1009 17.591 49.836 34.944 1.00 29.55 C ATOM 57 CD2 LEU A1009 18.077 50.687 32.653 1.00 28.66 C ATOM 58 N ASN A1010 21.761 52.459 36.458 1.00 26.33 N ATOM 59 CA ASN A1010 22.937 53.304 36.615 1.00 26.95 C ATOM 60 C ASN A1010 23.659 53.533 35.286 1.00 26.38 C ATOM 61 O ASN A1010 24.885 53.457 35.210 1.00 26.34 O ATOM 62 CB ASN A1010 23.901 52.684 37.627 1.00 29.20 C ATOM 63 CG ASN A1010 25.013 53.632 38.018 1.00 31.36 C ATOM 64 OD1 ASN A1010 24.756 54.751 38.456 1.00 33.07 O ATOM 65 ND2 ASN A1010 26.256 53.190 37.863 1.00 33.25 N ATOM 66 N LEU A1011 22.889 53.807 34.237 1.00 25.71 N ATOM 67 CA LEU A1011 23.459 54.065 32.920 1.00 25.05 C ATOM 68 C LEU A1011 23.983 55.500 32.919 1.00 24.48 C ATOM 69 O LEU A1011 23.219 56.442 33.115 1.00 24.23 O ATOM 70 CB LEU A1011 22.386 53.905 31.840 1.00 26.32 C ATOM 71 CG LEU A1011 22.865 53.934 30.387 1.00 27.70 C ATOM 72 CD1 LEU A1011 23.643 52.662 30.089 1.00 28.53 C ATOM 73 CD2 LEU A1011 21.672 54.053 29.449 1.00 28.81 C ATOM 74 N LYS A1012 25.284 55.661 32.701 1.00 25.27 N ATOM 75 CA LYS A1012 25.904 56.983 32.696 1.00 26.49 C ATOM 76 C LYS A1012 26.067 57.587 31.306 1.00 25.82 C ATOM 77 O LYS A1012 25.945 56.895 30.296 1.00 25.08 O ATOM 78 CB LYS A1012 27.271 56.918 33.386 1.00 29.05 C ATOM 79 CG LYS A1012 27.243 57.256 34.871 1.00 33.59 C ATOM 80 CD LYS A1012 26.317 56.342 35.653 1.00 36.02 C ATOM 81 CE LYS A1012 26.236 56.767 37.112 1.00 38.46 C ATOM 82 NZ LYS A1012 27.554 56.681 37.801 1.00 39.86 N ATOM 83 N PRO A1013 26.348 58.900 31.242 1.00 26.39 N ATOM 84 CA PRO A1013 26.530 59.595 29.966 1.00 26.11 C ATOM 85 C PRO A1013 27.567 58.897 29.096 1.00 26.08 C ATOM 86 O PRO A1013 28.623 58.493 29.580 1.00 26.69 O ATOM 87 CB PRO A1013 26.981 60.987 30.399 1.00 26.05 C ATOM 88 CG PRO A1013 26.239 61.182 31.675 1.00 25.92 C ATOM 89 CD PRO A1013 26.434 59.849 32.366 1.00 26.20 C ATOM 90 N GLY A1014 27.254 58.752 27.813 1.00 25.93 N ATOM 91 CA GLY A1014 28.172 58.102 26.899 1.00 25.51 C ATOM 92 C GLY A1014 27.916 56.614 26.766 1.00 25.23 C ATOM 93 O GLY A1014 28.389 55.985 25.822 1.00 25.24 O ATOM 94 N GLU A1015 27.166 56.048 27.708 1.00 24.51 N ATOM 95 CA GLU A1015 26.860 54.623 27.673 1.00 25.12 C ATOM 96 C GLU A1015 25.630 54.361 26.812 1.00 24.56 C ATOM 97 O GLU A1015 24.723 55.191 26.734 1.00 23.83 O ATOM 98 CB GLU A1015 26.646 54.091 29.089 1.00 26.73 C ATOM 99 CG GLU A1015 27.857 54.279 29.983 1.00 28.53 C ATOM 100 CD GLU A1015 27.753 53.511 31.280 1.00 30.27 C ATOM 101 OE1 GLU A1015 26.620 53.237 31.722 1.00 29.57 O ATOM 102 OE2 GLU A1015 28.811 53.186 31.861 1.00 32.93 O HETATM 103 N CSO A1016 25.602 53.195 26.176 1.00 24.68 N HETATM 104 CA CSO A1016 24.504 52.848 25.285 1.00 23.99 C HETATM 105 CB CSO A1016 25.060 52.607 23.880 1.00 26.46 C HETATM 106 SG CSO A1016 23.821 52.295 22.597 1.00 31.78 S HETATM 107 C CSO A1016 23.690 51.636 25.730 1.00 22.17 C HETATM 108 O CSO A1016 24.232 50.644 26.219 1.00 22.05 O HETATM 109 OD CSO A1016 23.818 50.533 22.513 1.00 20.40 O ATOM 110 N LEU A1017 22.378 51.742 25.554 1.00 18.83 N ATOM 111 CA LEU A1017 21.442 50.679 25.899 1.00 17.59 C ATOM 112 C LEU A1017 20.918 50.101 24.588 1.00 16.56 C ATOM 113 O LEU A1017 20.385 50.835 23.755 1.00 15.02 O ATOM 114 CB LEU A1017 20.276 51.252 26.702 1.00 17.95 C ATOM 115 CG LEU A1017 19.134 50.299 27.048 1.00 19.44 C ATOM 116 CD1 LEU A1017 19.608 49.278 28.070 1.00 21.44 C ATOM 117 CD2 LEU A1017 17.964 51.093 27.605 1.00 22.04 C ATOM 118 N ARG A1018 21.072 48.794 24.403 1.00 15.62 N ATOM 119 CA ARG A1018 20.609 48.132 23.188 1.00 16.83 C ATOM 120 C ARG A1018 19.415 47.257 23.551 1.00 16.28 C ATOM 121 O ARG A1018 19.520 46.389 24.417 1.00 15.93 O ATOM 122 CB ARG A1018 21.733 47.272 22.602 1.00 18.93 C ATOM 123 CG ARG A1018 21.398 46.594 21.281 1.00 23.90 C ATOM 124 CD ARG A1018 22.449 45.548 20.937 1.00 27.31 C ATOM 125 NE ARG A1018 23.793 46.119 20.855 1.00 30.49 N ATOM 126 CZ ARG A1018 24.298 46.695 19.770 1.00 32.46 C ATOM 127 NH1 ARG A1018 23.718 46.532 18.590 1.00 32.68 N ATOM 128 NH2 ARG A1018 25.394 47.439 19.864 1.00 33.73 N ATOM 129 N VAL A1019 18.280 47.492 22.900 1.00 14.39 N ATOM 130 CA VAL A1019 17.075 46.722 23.185 1.00 14.71 C ATOM 131 C VAL A1019 16.539 46.040 21.931 1.00 16.06 C ATOM 132 O VAL A1019 16.219 46.699 20.941 1.00 15.02 O ATOM 133 CB VAL A1019 15.971 47.632 23.779 1.00 14.78 C ATOM 134 CG1 VAL A1019 14.722 46.815 24.078 1.00 16.00 C ATOM 135 CG2 VAL A1019 16.481 48.312 25.042 1.00 15.20 C ATOM 136 N ARG A1020 16.450 44.714 21.979 1.00 15.27 N ATOM 137 CA ARG A1020 15.946 43.939 20.853 1.00 17.03 C ATOM 138 C ARG A1020 14.666 43.233 21.270 1.00 17.81 C ATOM 139 O ARG A1020 14.586 42.675 22.367 1.00 17.25 O ATOM 140 CB ARG A1020 16.983 42.906 20.412 1.00 19.08 C ATOM 141 CG ARG A1020 16.580 42.091 19.192 1.00 22.88 C ATOM 142 CD ARG A1020 17.666 41.087 18.837 1.00 26.98 C ATOM 143 NE ARG A1020 18.961 41.738 18.664 1.00 31.57 N ATOM 144 CZ ARG A1020 20.101 41.091 18.440 1.00 33.36 C ATOM 145 NH1 ARG A1020 21.232 41.769 18.295 1.00 34.79 N ATOM 146 NH2 ARG A1020 20.113 39.767 18.361 1.00 35.04 N ATOM 147 N GLY A1021 13.665 43.262 20.397 1.00 17.69 N ATOM 148 CA GLY A1021 12.405 42.616 20.710 1.00 17.89 C ATOM 149 C GLY A1021 11.595 42.265 19.480 1.00 19.49 C ATOM 150 O GLY A1021 11.939 42.644 18.359 1.00 19.17 O ATOM 151 N GLU A1022 10.509 41.533 19.696 1.00 20.10 N ATOM 152 CA GLU A1022 9.636 41.115 18.611 1.00 21.45 C ATOM 153 C GLU A1022 8.402 42.003 18.544 1.00 21.28 C ATOM 154 O GLU A1022 7.705 42.182 19.543 1.00 21.57 O ATOM 155 CB GLU A1022 9.206 39.659 18.821 1.00 23.89 C ATOM 156 CG GLU A1022 10.350 38.664 18.769 1.00 27.46 C ATOM 157 CD GLU A1022 9.944 37.273 19.219 1.00 30.62 C ATOM 158 OE1 GLU A1022 10.758 36.339 19.062 1.00 32.69 O ATOM 159 OE2 GLU A1022 8.816 37.113 19.737 1.00 32.68 O ATOM 160 N VAL A1023 8.147 42.574 17.369 1.00 21.68 N ATOM 161 CA VAL A1023 6.972 43.415 17.181 1.00 21.53 C ATOM 162 C VAL A1023 5.814 42.468 16.879 1.00 21.26 C ATOM 163 O VAL A1023 5.903 41.646 15.968 1.00 22.76 O ATOM 164 CB VAL A1023 7.146 44.390 15.992 1.00 20.80 C ATOM 165 CG1 VAL A1023 5.891 45.235 15.826 1.00 20.61 C ATOM 166 CG2 VAL A1023 8.358 45.284 16.222 1.00 20.46 C ATOM 167 N ALA A1024 4.742 42.578 17.655 1.00 22.79 N ATOM 168 CA ALA A1024 3.570 41.726 17.474 1.00 23.79 C ATOM 169 C ALA A1024 3.038 41.799 16.045 1.00 25.44 C ATOM 170 O ALA A1024 3.135 42.834 15.386 1.00 23.21 O ATOM 171 CB ALA A1024 2.483 42.129 18.460 1.00 22.90 C ATOM 172 N PRO A1025 2.466 40.690 15.547 1.00 27.13 N ATOM 173 CA PRO A1025 1.913 40.616 14.189 1.00 28.80 C ATOM 174 C PRO A1025 0.820 41.651 13.932 1.00 29.16 C ATOM 175 O PRO A1025 0.666 42.139 12.812 1.00 30.04 O ATOM 176 CB PRO A1025 1.374 39.188 14.114 1.00 28.98 C ATOM 177 CG PRO A1025 2.279 38.438 15.042 1.00 29.07 C ATOM 178 CD PRO A1025 2.375 39.380 16.216 1.00 28.55 C ATOM 179 N ASP A1026 0.059 41.973 14.972 1.00 28.76 N ATOM 180 CA ASP A1026 -1.021 42.947 14.859 1.00 30.12 C ATOM 181 C ASP A1026 -0.756 44.135 15.774 1.00 28.81 C ATOM 182 O ASP A1026 -1.678 44.709 16.354 1.00 29.27 O ATOM 183 CB ASP A1026 -2.354 42.294 15.231 1.00 33.30 C ATOM 184 CG ASP A1026 -2.242 41.391 16.445 1.00 36.72 C ATOM 185 OD1 ASP A1026 -1.269 41.547 17.212 1.00 39.24 O ATOM 186 OD2 ASP A1026 -3.131 40.533 16.639 1.00 38.95 O ATOM 187 N ALA A1027 0.515 44.502 15.895 1.00 27.10 N ATOM 188 CA ALA A1027 0.910 45.614 16.750 1.00 24.80 C ATOM 189 C ALA A1027 0.208 46.918 16.386 1.00 23.20 C ATOM 190 O ALA A1027 0.041 47.242 15.210 1.00 23.77 O ATOM 191 CB ALA A1027 2.421 45.806 16.682 1.00 24.39 C ATOM 192 N LYS A1028 -0.209 47.654 17.410 1.00 21.69 N ATOM 193 CA LYS A1028 -0.864 48.940 17.227 1.00 21.84 C ATOM 194 C LYS A1028 0.116 50.012 17.691 1.00 19.95 C ATOM 195 O LYS A1028 0.106 51.145 17.203 1.00 19.63 O ATOM 196 CB LYS A1028 -2.149 49.004 18.050 1.00 23.76 C ATOM 197 CG LYS A1028 -3.193 47.987 17.611 1.00 27.67 C ATOM 198 CD LYS A1028 -4.473 48.109 18.420 1.00 30.23 C ATOM 199 CE LYS A1028 -5.508 47.090 17.963 1.00 32.29 C ATOM 200 NZ LYS A1028 -5.858 47.272 16.525 1.00 33.51 N ATOM 201 N SER A1029 0.964 49.637 18.641 1.00 19.33 N ATOM 202 CA SER A1029 1.975 50.541 19.168 1.00 17.98 C ATOM 203 C SER A1029 2.694 49.890 20.334 1.00 17.62 C ATOM 204 O SER A1029 2.176 48.967 20.961 1.00 17.52 O ATOM 205 CB SER A1029 1.342 51.847 19.653 1.00 20.64 C ATOM 206 OG SER A1029 0.763 51.691 20.935 1.00 21.75 O ATOM 207 N PHE A1030 3.905 50.355 20.608 1.00 14.81 N ATOM 208 CA PHE A1030 4.645 49.836 21.742 1.00 14.04 C ATOM 209 C PHE A1030 5.444 50.972 22.346 1.00 14.84 C ATOM 210 O PHE A1030 5.604 52.030 21.727 1.00 13.34 O ATOM 211 CB PHE A1030 5.520 48.629 21.352 1.00 13.94 C ATOM 212 CG PHE A1030 6.790 48.968 20.615 1.00 14.57 C ATOM 213 CD1 PHE A1030 7.938 49.337 21.308 1.00 14.31 C ATOM 214 CD2 PHE A1030 6.860 48.829 19.232 1.00 14.75 C ATOM 215 CE1 PHE A1030 9.142 49.555 20.636 1.00 16.17 C ATOM 216 CE2 PHE A1030 8.062 49.046 18.550 1.00 15.95 C ATOM 217 CZ PHE A1030 9.203 49.407 19.255 1.00 15.02 C ATOM 218 N VAL A1031 5.910 50.768 23.571 1.00 13.20 N ATOM 219 CA VAL A1031 6.647 51.801 24.276 1.00 14.12 C ATOM 220 C VAL A1031 7.881 51.293 24.996 1.00 13.67 C ATOM 221 O VAL A1031 7.908 50.175 25.506 1.00 14.81 O ATOM 222 CB VAL A1031 5.749 52.484 25.347 1.00 13.89 C ATOM 223 CG1 VAL A1031 6.579 53.433 26.215 1.00 12.34 C ATOM 224 CG2 VAL A1031 4.615 53.246 24.675 1.00 13.97 C ATOM 225 N LEU A1032 8.901 52.137 25.015 1.00 13.29 N ATOM 226 CA LEU A1032 10.130 51.864 25.745 1.00 14.01 C ATOM 227 C LEU A1032 10.308 53.143 26.553 1.00 13.51 C ATOM 228 O LEU A1032 10.468 54.223 25.979 1.00 12.24 O ATOM 229 CB LEU A1032 11.330 51.671 24.811 1.00 16.16 C ATOM 230 CG LEU A1032 11.401 50.402 23.960 1.00 18.04 C ATOM 231 CD1 LEU A1032 12.699 50.410 23.170 1.00 19.79 C ATOM 232 CD2 LEU A1032 11.332 49.161 24.849 1.00 19.90 C ATOM 233 N ASN A1033 10.229 53.034 27.876 1.00 13.57 N ATOM 234 CA ASN A1033 10.395 54.194 28.742 1.00 13.97 C ATOM 235 C ASN A1033 11.733 54.146 29.458 1.00 14.55 C ATOM 236 O ASN A1033 12.135 53.101 29.972 1.00 16.09 O ATOM 237 CB ASN A1033 9.281 54.266 29.792 1.00 14.01 C ATOM 238 CG ASN A1033 7.952 54.678 29.206 1.00 14.95 C ATOM 239 OD1 ASN A1033 7.897 55.482 28.276 1.00 16.03 O ATOM 240 ND2 ASN A1033 6.868 54.143 29.758 1.00 15.68 N ATOM 241 N LEU A1034 12.421 55.282 29.482 1.00 13.20 N ATOM 242 CA LEU A1034 13.709 55.388 30.156 1.00 12.70 C ATOM 243 C LEU A1034 13.691 56.622 31.045 1.00 14.33 C ATOM 244 O LEU A1034 13.128 57.647 30.674 1.00 13.92 O ATOM 245 CB LEU A1034 14.846 55.538 29.143 1.00 14.04 C ATOM 246 CG LEU A1034 15.128 54.395 28.171 1.00 14.94 C ATOM 247 CD1 LEU A1034 16.292 54.793 27.267 1.00 16.34 C ATOM 248 CD2 LEU A1034 15.459 53.126 28.938 1.00 18.92 C ATOM 249 N GLY A1035 14.302 56.531 32.219 1.00 15.06 N ATOM 250 CA GLY A1035 14.328 57.690 33.091 1.00 15.40 C ATOM 251 C GLY A1035 14.825 57.409 34.491 1.00 16.58 C ATOM 252 O GLY A1035 15.592 56.474 34.720 1.00 16.76 O ATOM 253 N LYS A1036 14.388 58.243 35.428 1.00 18.17 N ATOM 254 CA LYS A1036 14.763 58.104 36.830 1.00 20.03 C ATOM 255 C LYS A1036 13.837 57.082 37.475 1.00 20.73 C ATOM 256 O LYS A1036 14.272 56.227 38.250 1.00 21.72 O ATOM 257 CB LYS A1036 14.633 59.454 37.537 1.00 21.75 C ATOM 258 CG LYS A1036 14.895 59.395 39.035 1.00 24.31 C ATOM 259 CD LYS A1036 14.870 60.781 39.662 1.00 28.21 C ATOM 260 CE LYS A1036 16.023 61.637 39.161 1.00 29.92 C ATOM 261 NZ LYS A1036 16.066 62.964 39.844 1.00 32.49 N ATOM 262 N ASP A1037 12.553 57.193 37.152 1.00 20.99 N ATOM 263 CA ASP A1037 11.528 56.283 37.645 1.00 22.34 C ATOM 264 C ASP A1037 10.312 56.391 36.730 1.00 22.61 C ATOM 265 O ASP A1037 10.347 57.114 35.733 1.00 23.33 O ATOM 266 CB ASP A1037 11.149 56.604 39.100 1.00 22.78 C ATOM 267 CG ASP A1037 10.804 58.063 39.313 1.00 24.98 C ATOM 268 OD1 ASP A1037 9.994 58.606 38.536 1.00 23.94 O ATOM 269 OD2 ASP A1037 11.336 58.665 40.273 1.00 27.16 O ATOM 270 N SER A1038 9.239 55.684 37.065 1.00 22.66 N ATOM 271 CA SER A1038 8.035 55.682 36.239 1.00 22.86 C ATOM 272 C SER A1038 7.374 57.039 36.000 1.00 23.24 C ATOM 273 O SER A1038 6.651 57.205 35.018 1.00 23.30 O ATOM 274 CB SER A1038 6.998 54.722 36.828 1.00 23.51 C ATOM 275 OG SER A1038 6.522 55.191 38.077 1.00 23.67 O ATOM 276 N ASN A1039 7.613 58.006 36.883 1.00 22.44 N ATOM 277 CA ASN A1039 7.000 59.325 36.732 1.00 22.92 C ATOM 278 C ASN A1039 7.969 60.395 36.244 1.00 21.08 C ATOM 279 O ASN A1039 7.585 61.549 36.054 1.00 20.87 O ATOM 280 CB ASN A1039 6.380 59.771 38.060 1.00 26.06 C ATOM 281 CG ASN A1039 5.331 58.802 38.567 1.00 29.54 C ATOM 282 OD1 ASN A1039 4.361 58.498 37.870 1.00 32.08 O ATOM 283 ND2 ASN A1039 5.519 58.312 39.787 1.00 32.08 N ATOM 284 N ASN A1040 9.224 60.011 36.050 1.00 19.11 N ATOM 285 CA ASN A1040 10.253 60.936 35.586 1.00 17.69 C ATOM 286 C ASN A1040 11.021 60.266 34.461 1.00 16.72 C ATOM 287 O ASN A1040 12.028 59.598 34.688 1.00 15.61 O ATOM 288 CB ASN A1040 11.189 61.294 36.739 1.00 19.50 C ATOM 289 CG ASN A1040 10.495 62.124 37.804 1.00 20.72 C ATOM 290 OD1 ASN A1040 10.284 63.325 37.631 1.00 20.57 O ATOM 291 ND2 ASN A1040 10.117 61.481 38.903 1.00 20.80 N ATOM 292 N LEU A1041 10.534 60.465 33.241 1.00 15.30 N ATOM 293 CA LEU A1041 11.129 59.848 32.061 1.00 15.82 C ATOM 294 C LEU A1041 11.886 60.812 31.168 1.00 14.94 C ATOM 295 O LEU A1041 11.348 61.847 30.776 1.00 15.17 O ATOM 296 CB LEU A1041 10.031 59.191 31.227 1.00 15.38 C ATOM 297 CG LEU A1041 9.109 58.201 31.935 1.00 15.81 C ATOM 298 CD1 LEU A1041 7.976 57.811 31.008 1.00 15.66 C ATOM 299 CD2 LEU A1041 9.904 56.977 32.358 1.00 16.87 C ATOM 300 N CYS A1042 13.127 60.472 30.841 1.00 15.10 N ATOM 301 CA CYS A1042 13.904 61.314 29.947 1.00 14.67 C ATOM 302 C CYS A1042 13.551 60.907 28.520 1.00 14.78 C ATOM 303 O CYS A1042 13.777 61.662 27.572 1.00 13.72 O ATOM 304 CB CYS A1042 15.414 61.176 30.203 1.00 15.47 C ATOM 305 SG CYS A1042 16.117 59.507 30.144 1.00 15.47 S ATOM 306 N LEU A1043 12.981 59.715 28.370 1.00 13.15 N ATOM 307 CA LEU A1043 12.575 59.253 27.049 1.00 13.69 C ATOM 308 C LEU A1043 11.427 58.256 27.049 1.00 13.47 C ATOM 309 O LEU A1043 11.534 57.146 27.582 1.00 14.23 O ATOM 310 CB LEU A1043 13.756 58.640 26.286 1.00 13.67 C ATOM 311 CG LEU A1043 13.402 58.167 24.868 1.00 13.60 C ATOM 312 CD1 LEU A1043 12.945 59.362 24.034 1.00 15.43 C ATOM 313 CD2 LEU A1043 14.599 57.486 24.221 1.00 13.29 C ATOM 314 N HIS A1044 10.322 58.687 26.458 1.00 12.33 N ATOM 315 CA HIS A1044 9.134 57.865 26.280 1.00 12.05 C ATOM 316 C HIS A1044 9.205 57.650 24.772 1.00 12.64 C ATOM 317 O HIS A1044 8.842 58.537 23.998 1.00 14.16 O ATOM 318 CB HIS A1044 7.879 58.660 26.657 1.00 12.40 C ATOM 319 CG HIS A1044 6.590 58.003 26.266 1.00 12.81 C ATOM 320 ND1 HIS A1044 6.141 56.832 26.838 1.00 13.74 N ATOM 321 CD2 HIS A1044 5.637 58.375 25.378 1.00 12.14 C ATOM 322 CE1 HIS A1044 4.967 56.512 26.322 1.00 13.63 C ATOM 323 NE2 HIS A1044 4.639 57.433 25.432 1.00 14.50 N ATOM 324 N PHE A1045 9.728 56.492 24.374 1.00 12.05 N ATOM 325 CA PHE A1045 9.901 56.118 22.965 1.00 12.26 C ATOM 326 C PHE A1045 8.663 55.330 22.550 1.00 11.78 C ATOM 327 O PHE A1045 8.488 54.176 22.946 1.00 12.01 O ATOM 328 CB PHE A1045 11.165 55.268 22.833 1.00 11.15 C ATOM 329 CG PHE A1045 11.449 54.812 21.437 1.00 11.57 C ATOM 330 CD1 PHE A1045 11.899 55.709 20.474 1.00 11.94 C ATOM 331 CD2 PHE A1045 11.259 53.480 21.082 1.00 10.71 C ATOM 332 CE1 PHE A1045 12.156 55.284 19.173 1.00 12.81 C ATOM 333 CE2 PHE A1045 11.514 53.047 19.785 1.00 12.47 C ATOM 334 CZ PHE A1045 11.962 53.950 18.830 1.00 11.37 C ATOM 335 N ASN A1046 7.822 55.944 21.722 1.00 10.64 N ATOM 336 CA ASN A1046 6.549 55.331 21.357 1.00 11.38 C ATOM 337 C ASN A1046 6.214 55.148 19.875 1.00 11.29 C ATOM 338 O ASN A1046 5.569 56.005 19.269 1.00 12.09 O ATOM 339 CB ASN A1046 5.454 56.162 22.044 1.00 12.00 C ATOM 340 CG ASN A1046 4.045 55.646 21.804 1.00 13.11 C ATOM 341 OD1 ASN A1046 3.088 56.405 21.941 1.00 14.05 O ATOM 342 ND2 ASN A1046 3.904 54.367 21.477 1.00 13.10 N ATOM 343 N PRO A1047 6.659 54.036 19.268 1.00 11.27 N ATOM 344 CA PRO A1047 6.337 53.819 17.856 1.00 11.54 C ATOM 345 C PRO A1047 4.843 53.498 17.786 1.00 13.23 C ATOM 346 O PRO A1047 4.372 52.565 18.444 1.00 12.57 O ATOM 347 CB PRO A1047 7.200 52.616 17.484 1.00 13.22 C ATOM 348 CG PRO A1047 8.399 52.784 18.377 1.00 10.80 C ATOM 349 CD PRO A1047 7.753 53.144 19.693 1.00 10.12 C ATOM 350 N ARG A1048 4.103 54.282 17.010 1.00 12.06 N ATOM 351 CA ARG A1048 2.667 54.080 16.858 1.00 12.86 C ATOM 352 C ARG A1048 2.335 53.596 15.455 1.00 13.51 C ATOM 353 O ARG A1048 2.497 54.331 14.481 1.00 13.67 O ATOM 354 CB ARG A1048 1.914 55.382 17.135 1.00 13.58 C ATOM 355 CG ARG A1048 2.052 55.880 18.563 1.00 13.28 C ATOM 356 CD ARG A1048 1.369 57.221 18.763 1.00 13.09 C ATOM 357 NE ARG A1048 1.555 57.708 20.128 1.00 14.30 N ATOM 358 CZ ARG A1048 1.111 58.876 20.579 1.00 15.54 C ATOM 359 NH1 ARG A1048 0.448 59.693 19.774 1.00 16.28 N ATOM 360 NH2 ARG A1048 1.334 59.228 21.839 1.00 16.86 N ATOM 361 N PHE A1049 1.880 52.352 15.357 1.00 12.69 N ATOM 362 CA PHE A1049 1.500 51.787 14.070 1.00 13.91 C ATOM 363 C PHE A1049 0.140 52.370 13.691 1.00 14.99 C ATOM 364 O PHE A1049 -0.060 52.843 12.573 1.00 14.28 O ATOM 365 CB PHE A1049 1.436 50.260 14.170 1.00 14.91 C ATOM 366 CG PHE A1049 2.734 49.633 14.606 1.00 15.77 C ATOM 367 CD1 PHE A1049 3.080 49.580 15.957 1.00 16.70 C ATOM 368 CD2 PHE A1049 3.634 49.141 13.665 1.00 16.30 C ATOM 369 CE1 PHE A1049 4.305 49.050 16.364 1.00 17.99 C ATOM 370 CE2 PHE A1049 4.866 48.607 14.060 1.00 17.07 C ATOM 371 CZ PHE A1049 5.201 48.563 15.414 1.00 18.69 C ATOM 372 N ASN A1050 -0.786 52.342 14.644 1.00 16.79 N ATOM 373 CA ASN A1050 -2.132 52.874 14.460 1.00 19.05 C ATOM 374 C ASN A1050 -2.653 53.207 15.850 1.00 20.03 C ATOM 375 O ASN A1050 -3.271 52.364 16.505 1.00 20.45 O ATOM 376 CB ASN A1050 -3.039 51.826 13.808 1.00 21.54 C ATOM 377 CG ASN A1050 -4.458 52.335 13.578 1.00 24.06 C ATOM 378 OD1 ASN A1050 -5.352 51.567 13.220 1.00 28.82 O ATOM 379 ND2 ASN A1050 -4.667 53.631 13.775 1.00 23.72 N ATOM 380 N ALA A1051 -2.393 54.428 16.306 1.00 19.49 N ATOM 381 CA ALA A1051 -2.835 54.836 17.633 1.00 20.15 C ATOM 382 C ALA A1051 -2.835 56.343 17.834 1.00 21.17 C ATOM 383 O ALA A1051 -1.931 57.045 17.380 1.00 19.71 O ATOM 384 CB ALA A1051 -1.956 54.178 18.692 1.00 19.97 C ATOM 385 N HIS A1052 -3.865 56.833 18.517 1.00 21.86 N ATOM 386 CA HIS A1052 -3.993 58.251 18.827 1.00 23.61 C ATOM 387 C HIS A1052 -3.935 59.183 17.622 1.00 23.79 C ATOM 388 O HIS A1052 -3.464 60.314 17.733 1.00 24.78 O ATOM 389 CB HIS A1052 -2.908 58.650 19.824 1.00 26.36 C ATOM 390 CG HIS A1052 -2.891 57.807 21.059 1.00 27.44 C ATOM 391 ND1 HIS A1052 -3.936 57.785 21.957 1.00 29.49 N ATOM 392 CD2 HIS A1052 -1.968 56.938 21.533 1.00 27.99 C ATOM 393 CE1 HIS A1052 -3.657 56.939 22.933 1.00 29.49 C ATOM 394 NE2 HIS A1052 -2.469 56.412 22.699 1.00 30.33 N ATOM 395 N GLY A1053 -4.412 58.712 16.476 1.00 23.60 N ATOM 396 CA GLY A1053 -4.404 59.545 15.289 1.00 23.62 C ATOM 397 C GLY A1053 -3.127 59.444 14.481 1.00 22.38 C ATOM 398 O GLY A1053 -3.020 60.031 13.405 1.00 22.99 O ATOM 399 N ASP A1054 -2.152 58.706 14.999 1.00 20.03 N ATOM 400 CA ASP A1054 -0.889 58.533 14.295 1.00 18.23 C ATOM 401 C ASP A1054 -0.867 57.210 13.544 1.00 17.04 C ATOM 402 O ASP A1054 -1.335 56.186 14.050 1.00 17.29 O ATOM 403 CB ASP A1054 0.286 58.562 15.276 1.00 18.33 C ATOM 404 CG ASP A1054 0.556 59.946 15.829 1.00 19.63 C ATOM 405 OD1 ASP A1054 0.929 60.845 15.045 1.00 20.55 O ATOM 406 OD2 ASP A1054 0.398 60.134 17.050 1.00 20.08 O ATOM 407 N ALA A1055 -0.326 57.240 12.330 1.00 15.29 N ATOM 408 CA ALA A1055 -0.208 56.042 11.509 1.00 14.56 C ATOM 409 C ALA A1055 1.269 55.900 11.161 1.00 13.64 C ATOM 410 O ALA A1055 1.825 56.720 10.427 1.00 13.67 O ATOM 411 CB ALA A1055 -1.043 56.178 10.236 1.00 14.99 C ATOM 412 N ASN A1056 1.903 54.866 11.704 1.00 12.86 N ATOM 413 CA ASN A1056 3.326 54.630 11.475 1.00 12.08 C ATOM 414 C ASN A1056 4.178 55.854 11.764 1.00 12.21 C ATOM 415 O ASN A1056 4.850 56.393 10.881 1.00 12.12 O ATOM 416 CB ASN A1056 3.578 54.162 10.044 1.00 12.67 C ATOM 417 CG ASN A1056 3.211 52.712 9.838 1.00 12.58 C ATOM 418 OD1 ASN A1056 2.520 52.109 10.664 1.00 13.77 O ATOM 419 ND2 ASN A1056 3.664 52.140 8.728 1.00 12.87 N ATOM 420 N THR A1057 4.133 56.315 13.003 1.00 12.40 N ATOM 421 CA THR A1057 4.963 57.438 13.382 1.00 13.70 C ATOM 422 C THR A1057 5.526 57.216 14.769 1.00 12.92 C ATOM 423 O THR A1057 4.841 56.717 15.675 1.00 11.75 O ATOM 424 CB THR A1057 4.215 58.812 13.275 1.00 18.81 C ATOM 425 OG1 THR A1057 4.428 59.587 14.460 1.00 21.35 O ATOM 426 CG2 THR A1057 2.748 58.624 13.006 1.00 15.34 C ATOM 427 N ILE A1058 6.807 57.531 14.901 1.00 11.42 N ATOM 428 CA ILE A1058 7.513 57.405 16.166 1.00 10.32 C ATOM 429 C ILE A1058 7.272 58.688 16.941 1.00 10.81 C ATOM 430 O ILE A1058 7.623 59.775 16.477 1.00 11.18 O ATOM 431 CB ILE A1058 9.035 57.251 15.946 1.00 11.12 C ATOM 432 CG1 ILE A1058 9.318 55.978 15.148 1.00 11.17 C ATOM 433 CG2 ILE A1058 9.763 57.233 17.292 1.00 11.64 C ATOM 434 CD1 ILE A1058 10.761 55.832 14.718 1.00 10.86 C ATOM 435 N VAL A1059 6.657 58.560 18.110 1.00 10.48 N ATOM 436 CA VAL A1059 6.392 59.707 18.963 1.00 11.35 C ATOM 437 C VAL A1059 7.264 59.574 20.202 1.00 10.83 C ATOM 438 O VAL A1059 7.313 58.512 20.821 1.00 11.12 O ATOM 439 CB VAL A1059 4.916 59.758 19.412 1.00 12.66 C ATOM 440 CG1 VAL A1059 4.698 60.951 20.341 1.00 13.44 C ATOM 441 CG2 VAL A1059 4.005 59.849 18.198 1.00 12.08 C ATOM 442 N CYS A1060 7.973 60.641 20.543 1.00 11.50 N ATOM 443 CA CYS A1060 8.813 60.634 21.734 1.00 11.57 C ATOM 444 C CYS A1060 8.405 61.784 22.629 1.00 12.98 C ATOM 445 O CYS A1060 7.989 62.840 22.156 1.00 14.17 O ATOM 446 CB CYS A1060 10.293 60.794 21.383 1.00 12.83 C ATOM 447 SG CYS A1060 11.046 59.352 20.609 1.00 15.54 S ATOM 448 N ASN A1061 8.512 61.575 23.932 1.00 11.98 N ATOM 449 CA ASN A1061 8.180 62.635 24.860 1.00 12.18 C ATOM 450 C ASN A1061 8.952 62.417 26.142 1.00 13.12 C ATOM 451 O ASN A1061 9.595 61.382 26.333 1.00 11.30 O ATOM 452 CB ASN A1061 6.676 62.657 25.153 1.00 13.24 C ATOM 453 CG ASN A1061 6.186 64.036 25.586 1.00 13.12 C ATOM 454 OD1 ASN A1061 6.984 64.935 25.846 1.00 14.00 O ATOM 455 ND2 ASN A1061 4.870 64.202 25.663 1.00 15.27 N ATOM 456 N SER A1062 8.902 63.420 27.003 1.00 13.41 N ATOM 457 CA SER A1062 9.555 63.373 28.293 1.00 15.15 C ATOM 458 C SER A1062 8.415 63.420 29.298 1.00 15.77 C ATOM 459 O SER A1062 7.292 63.785 28.952 1.00 16.74 O ATOM 460 CB SER A1062 10.457 64.593 28.472 1.00 14.69 C ATOM 461 OG SER A1062 9.714 65.797 28.350 1.00 15.74 O ATOM 462 N LYS A1063 8.695 63.032 30.533 1.00 16.54 N ATOM 463 CA LYS A1063 7.678 63.070 31.568 1.00 18.74 C ATOM 464 C LYS A1063 8.372 63.599 32.807 1.00 19.64 C ATOM 465 O LYS A1063 9.282 62.965 33.337 1.00 18.86 O ATOM 466 CB LYS A1063 7.108 61.675 31.820 1.00 18.86 C ATOM 467 CG LYS A1063 5.775 61.687 32.549 1.00 21.97 C ATOM 468 CD LYS A1063 5.137 60.310 32.529 1.00 23.15 C ATOM 469 CE LYS A1063 3.684 60.361 32.953 1.00 24.68 C ATOM 470 NZ LYS A1063 3.047 59.022 32.848 1.00 26.59 N ATOM 471 N ASP A1064 7.953 64.781 33.243 1.00 21.36 N ATOM 472 CA ASP A1064 8.540 65.422 34.408 1.00 23.37 C ATOM 473 C ASP A1064 7.556 65.401 35.569 1.00 24.44 C ATOM 474 O ASP A1064 6.520 66.066 35.531 1.00 23.95 O ATOM 475 CB ASP A1064 8.906 66.872 34.078 1.00 25.74 C ATOM 476 CG ASP A1064 9.870 67.469 35.080 1.00 27.37 C ATOM 477 OD1 ASP A1064 9.762 67.137 36.279 1.00 28.28 O ATOM 478 OD2 ASP A1064 10.730 68.276 34.670 1.00 28.57 O ATOM 479 N ASP A1065 7.889 64.632 36.599 1.00 24.46 N ATOM 480 CA ASP A1065 7.036 64.513 37.775 1.00 26.42 C ATOM 481 C ASP A1065 5.585 64.245 37.383 1.00 25.99 C ATOM 482 O ASP A1065 4.661 64.877 37.898 1.00 26.78 O ATOM 483 CB ASP A1065 7.128 65.784 38.628 1.00 28.14 C ATOM 484 CG ASP A1065 6.432 65.635 39.971 1.00 30.69 C ATOM 485 OD1 ASP A1065 6.683 64.623 40.659 1.00 31.81 O ATOM 486 OD2 ASP A1065 5.641 66.530 40.340 1.00 32.49 O ATOM 487 N GLY A1066 5.397 63.308 36.456 1.00 24.58 N ATOM 488 CA GLY A1066 4.063 62.942 36.015 1.00 23.75 C ATOM 489 C GLY A1066 3.466 63.743 34.870 1.00 23.48 C ATOM 490 O GLY A1066 2.442 63.349 34.311 1.00 24.03 O ATOM 491 N ALA A1067 4.096 64.853 34.506 1.00 23.35 N ATOM 492 CA ALA A1067 3.581 65.694 33.430 1.00 23.61 C ATOM 493 C ALA A1067 4.271 65.461 32.089 1.00 22.16 C ATOM 494 O ALA A1067 5.490 65.570 31.982 1.00 22.03 O ATOM 495 CB ALA A1067 3.698 67.163 33.820 1.00 23.93 C ATOM 496 N TRP A1068 3.479 65.141 31.069 1.00 21.71 N ATOM 497 CA TRP A1068 4.015 64.916 29.731 1.00 20.71 C ATOM 498 C TRP A1068 4.563 66.219 29.168 1.00 20.56 C ATOM 499 O TRP A1068 3.990 67.289 29.384 1.00 20.84 O ATOM 500 CB TRP A1068 2.927 64.392 28.792 1.00 21.14 C ATOM 501 CG TRP A1068 2.538 62.971 29.028 1.00 21.58 C ATOM 502 CD1 TRP A1068 1.299 62.505 29.357 1.00 22.12 C ATOM 503 CD2 TRP A1068 3.387 61.821 28.930 1.00 20.95 C ATOM 504 NE1 TRP A1068 1.320 61.136 29.468 1.00 23.41 N ATOM 505 CE2 TRP A1068 2.590 60.689 29.212 1.00 22.34 C ATOM 506 CE3 TRP A1068 4.743 61.636 28.629 1.00 20.84 C ATOM 507 CZ2 TRP A1068 3.104 59.387 29.204 1.00 22.08 C ATOM 508 CZ3 TRP A1068 5.255 60.340 28.620 1.00 19.67 C ATOM 509 CH2 TRP A1068 4.436 59.234 28.906 1.00 20.62 C ATOM 510 N GLY A1069 5.674 66.124 28.446 1.00 19.54 N ATOM 511 CA GLY A1069 6.267 67.306 27.849 1.00 18.75 C ATOM 512 C GLY A1069 5.722 67.493 26.446 1.00 16.53 C ATOM 513 O GLY A1069 4.635 67.012 26.125 1.00 16.05 O ATOM 514 N THR A1070 6.480 68.195 25.610 1.00 16.20 N ATOM 515 CA THR A1070 6.080 68.442 24.229 1.00 15.71 C ATOM 516 C THR A1070 6.546 67.273 23.364 1.00 14.21 C ATOM 517 O THR A1070 7.733 66.956 23.336 1.00 14.39 O ATOM 518 CB THR A1070 6.716 69.738 23.709 1.00 17.33 C ATOM 519 OG1 THR A1070 6.304 70.833 24.541 1.00 19.38 O ATOM 520 CG2 THR A1070 6.290 70.004 22.270 1.00 17.58 C ATOM 521 N GLU A1071 5.611 66.638 22.663 1.00 13.42 N ATOM 522 CA GLU A1071 5.946 65.500 21.814 1.00 13.93 C ATOM 523 C GLU A1071 6.828 65.857 20.624 1.00 13.59 C ATOM 524 O GLU A1071 6.778 66.971 20.097 1.00 13.46 O ATOM 525 CB GLU A1071 4.675 64.827 21.280 1.00 13.85 C ATOM 526 CG GLU A1071 3.714 64.324 22.352 1.00 15.82 C ATOM 527 CD GLU A1071 2.481 63.651 21.767 1.00 15.34 C ATOM 528 OE1 GLU A1071 2.010 64.083 20.693 1.00 15.69 O ATOM 529 OE2 GLU A1071 1.970 62.697 22.388 1.00 18.15 O ATOM 530 N GLN A1072 7.641 64.888 20.220 1.00 12.03 N ATOM 531 CA GLN A1072 8.513 65.021 19.064 1.00 11.40 C ATOM 532 C GLN A1072 8.142 63.847 18.169 1.00 11.34 C ATOM 533 O GLN A1072 7.877 62.751 18.663 1.00 12.58 O ATOM 534 CB GLN A1072 9.983 64.918 19.468 1.00 11.32 C ATOM 535 CG GLN A1072 10.946 65.045 18.291 1.00 10.42 C ATOM 536 CD GLN A1072 12.389 65.127 18.736 1.00 10.83 C ATOM 537 OE1 GLN A1072 12.795 66.092 19.388 1.00 12.60 O ATOM 538 NE2 GLN A1072 13.172 64.108 18.398 1.00 10.63 N ATOM 539 N ARG A1073 8.107 64.073 16.861 1.00 10.63 N ATOM 540 CA ARG A1073 7.764 63.012 15.921 1.00 11.44 C ATOM 541 C ARG A1073 8.853 62.882 14.869 1.00 11.21 C ATOM 542 O ARG A1073 9.417 63.885 14.423 1.00 11.61 O ATOM 543 CB ARG A1073 6.412 63.303 15.256 1.00 11.87 C ATOM 544 CG ARG A1073 5.220 63.039 16.177 1.00 14.20 C ATOM 545 CD ARG A1073 3.886 63.358 15.506 1.00 15.24 C ATOM 546 NE ARG A1073 2.756 62.822 16.268 1.00 14.10 N ATOM 547 CZ ARG A1073 2.408 63.227 17.487 1.00 16.37 C ATOM 548 NH1 ARG A1073 3.095 64.184 18.097 1.00 17.08 N ATOM 549 NH2 ARG A1073 1.380 62.660 18.105 1.00 16.57 N ATOM 550 N GLU A1074 9.155 61.647 14.479 1.00 10.35 N ATOM 551 CA GLU A1074 10.198 61.413 13.487 1.00 11.35 C ATOM 552 C GLU A1074 9.657 61.249 12.074 1.00 10.77 C ATOM 553 O GLU A1074 8.456 61.068 11.866 1.00 11.42 O ATOM 554 CB GLU A1074 11.031 60.189 13.866 1.00 9.92 C ATOM 555 CG GLU A1074 11.644 60.276 15.255 1.00 11.86 C ATOM 556 CD GLU A1074 12.313 61.614 15.516 1.00 10.31 C ATOM 557 OE1 GLU A1074 13.127 62.051 14.675 1.00 13.96 O ATOM 558 OE2 GLU A1074 12.023 62.226 16.567 1.00 12.30 O ATOM 559 N ALA A1075 10.565 61.298 11.107 1.00 11.59 N ATOM 560 CA ALA A1075 10.203 61.200 9.698 1.00 11.55 C ATOM 561 C ALA A1075 10.310 59.805 9.092 1.00 11.41 C ATOM 562 O ALA A1075 10.071 59.630 7.899 1.00 12.62 O ATOM 563 CB ALA A1075 11.058 62.164 8.896 1.00 12.73 C ATOM 564 N VAL A1076 10.677 58.820 9.901 1.00 10.80 N ATOM 565 CA VAL A1076 10.803 57.454 9.410 1.00 11.80 C ATOM 566 C VAL A1076 10.124 56.492 10.372 1.00 10.63 C ATOM 567 O VAL A1076 9.847 56.841 11.520 1.00 12.04 O ATOM 568 CB VAL A1076 12.288 57.039 9.248 1.00 11.83 C ATOM 569 CG1 VAL A1076 12.992 57.977 8.272 1.00 13.32 C ATOM 570 CG2 VAL A1076 12.985 57.050 10.599 1.00 13.62 C ATOM 571 N PHE A1077 9.843 55.283 9.896 1.00 10.25 N ATOM 572 CA PHE A1077 9.199 54.275 10.727 1.00 11.40 C ATOM 573 C PHE A1077 9.696 52.891 10.323 1.00 11.86 C ATOM 574 O PHE A1077 8.984 52.112 9.681 1.00 10.77 O ATOM 575 CB PHE A1077 7.680 54.370 10.576 1.00 10.30 C ATOM 576 CG PHE A1077 6.924 53.656 11.655 1.00 10.38 C ATOM 577 CD1 PHE A1077 6.454 52.361 11.457 1.00 10.84 C ATOM 578 CD2 PHE A1077 6.700 54.271 12.882 1.00 10.02 C ATOM 579 CE1 PHE A1077 5.770 51.687 12.470 1.00 10.47 C ATOM 580 CE2 PHE A1077 6.018 53.610 13.902 1.00 10.22 C ATOM 581 CZ PHE A1077 5.551 52.313 13.695 1.00 10.48 C ATOM 582 N PRO A1078 10.941 52.567 10.704 1.00 12.62 N ATOM 583 CA PRO A1078 11.561 51.280 10.387 1.00 13.47 C ATOM 584 C PRO A1078 11.135 50.141 11.299 1.00 14.26 C ATOM 585 O PRO A1078 11.975 49.424 11.837 1.00 15.28 O ATOM 586 CB PRO A1078 13.049 51.587 10.494 1.00 13.73 C ATOM 587 CG PRO A1078 13.091 52.552 11.622 1.00 15.89 C ATOM 588 CD PRO A1078 11.910 53.469 11.355 1.00 13.45 C ATOM 589 N PHE A1079 9.827 49.993 11.477 1.00 14.76 N ATOM 590 CA PHE A1079 9.269 48.923 12.296 1.00 16.24 C ATOM 591 C PHE A1079 8.177 48.228 11.496 1.00 19.32 C ATOM 592 O PHE A1079 7.376 48.879 10.825 1.00 19.30 O ATOM 593 CB PHE A1079 8.682 49.467 13.600 1.00 14.76 C ATOM 594 CG PHE A1079 9.703 50.071 14.519 1.00 14.15 C ATOM 595 CD1 PHE A1079 9.826 51.450 14.632 1.00 13.62 C ATOM 596 CD2 PHE A1079 10.550 49.257 15.263 1.00 12.82 C ATOM 597 CE1 PHE A1079 10.782 52.012 15.477 1.00 13.37 C ATOM 598 CE2 PHE A1079 11.507 49.806 16.107 1.00 12.69 C ATOM 599 CZ PHE A1079 11.625 51.187 16.215 1.00 13.01 C ATOM 600 N GLN A1080 8.153 46.901 11.571 1.00 21.30 N ATOM 601 CA GLN A1080 7.165 46.115 10.844 1.00 24.78 C ATOM 602 C GLN A1080 6.541 45.061 11.747 1.00 25.44 C ATOM 603 O GLN A1080 7.248 44.316 12.422 1.00 25.71 O ATOM 604 CB GLN A1080 7.827 45.435 9.643 1.00 27.89 C ATOM 605 CG GLN A1080 6.931 44.455 8.897 1.00 34.19 C ATOM 606 CD GLN A1080 7.636 43.798 7.722 1.00 36.90 C ATOM 607 OE1 GLN A1080 7.086 42.911 7.068 1.00 39.61 O ATOM 608 NE2 GLN A1080 8.861 44.235 7.447 1.00 39.03 N ATOM 609 N PRO A1081 5.202 44.993 11.780 1.00 26.32 N ATOM 610 CA PRO A1081 4.529 44.000 12.623 1.00 26.91 C ATOM 611 C PRO A1081 5.011 42.589 12.288 1.00 27.11 C ATOM 612 O PRO A1081 5.194 42.249 11.117 1.00 26.75 O ATOM 613 CB PRO A1081 3.056 44.209 12.285 1.00 26.90 C ATOM 614 CG PRO A1081 2.994 45.688 11.991 1.00 28.07 C ATOM 615 CD PRO A1081 4.224 45.888 11.135 1.00 26.92 C ATOM 616 N GLY A1082 5.234 41.781 13.318 1.00 27.72 N ATOM 617 CA GLY A1082 5.688 40.417 13.105 1.00 27.88 C ATOM 618 C GLY A1082 7.152 40.277 12.727 1.00 28.42 C ATOM 619 O GLY A1082 7.535 39.321 12.051 1.00 28.89 O ATOM 620 N SER A1083 7.977 41.227 13.155 1.00 28.23 N ATOM 621 CA SER A1083 9.401 41.176 12.855 1.00 27.68 C ATOM 622 C SER A1083 10.211 41.647 14.052 1.00 26.46 C ATOM 623 O SER A1083 9.712 42.385 14.899 1.00 26.42 O ATOM 624 CB SER A1083 9.729 42.057 11.649 1.00 29.38 C ATOM 625 OG SER A1083 9.579 43.425 11.974 1.00 31.70 O ATOM 626 N VAL A1084 11.461 41.207 14.120 1.00 25.27 N ATOM 627 CA VAL A1084 12.342 41.599 15.211 1.00 23.79 C ATOM 628 C VAL A1084 12.889 42.990 14.921 1.00 22.76 C ATOM 629 O VAL A1084 13.213 43.316 13.779 1.00 22.54 O ATOM 630 CB VAL A1084 13.517 40.611 15.357 1.00 24.14 C ATOM 631 CG1 VAL A1084 14.487 41.099 16.425 1.00 24.14 C ATOM 632 CG2 VAL A1084 12.985 39.234 15.717 1.00 24.95 C ATOM 633 N ALA A1085 12.980 43.809 15.961 1.00 21.03 N ATOM 634 CA ALA A1085 13.486 45.166 15.819 1.00 20.21 C ATOM 635 C ALA A1085 14.416 45.482 16.977 1.00 18.96 C ATOM 636 O ALA A1085 14.146 45.110 18.115 1.00 19.00 O ATOM 637 CB ALA A1085 12.327 46.157 15.798 1.00 19.11 C ATOM 638 N GLU A1086 15.508 46.174 16.678 1.00 19.03 N ATOM 639 CA GLU A1086 16.469 46.552 17.701 1.00 18.19 C ATOM 640 C GLU A1086 16.677 48.056 17.699 1.00 18.14 C ATOM 641 O GLU A1086 16.786 48.675 16.641 1.00 17.57 O ATOM 642 CB GLU A1086 17.804 45.854 17.454 1.00 19.48 C ATOM 643 CG GLU A1086 18.894 46.229 18.441 1.00 22.48 C ATOM 644 CD GLU A1086 20.154 45.418 18.233 1.00 24.81 C ATOM 645 OE1 GLU A1086 20.142 44.212 18.553 1.00 25.81 O ATOM 646 OE2 GLU A1086 21.152 45.983 17.738 1.00 27.28 O ATOM 647 N VAL A1087 16.715 48.643 18.888 1.00 16.51 N ATOM 648 CA VAL A1087 16.939 50.076 19.017 1.00 16.92 C ATOM 649 C VAL A1087 18.104 50.283 19.975 1.00 16.70 C ATOM 650 O VAL A1087 18.255 49.545 20.950 1.00 16.99 O ATOM 651 CB VAL A1087 15.693 50.807 19.566 1.00 17.22 C ATOM 652 CG1 VAL A1087 15.959 52.305 19.634 1.00 18.96 C ATOM 653 CG2 VAL A1087 14.483 50.518 18.696 1.00 21.22 C ATOM 654 N CYS A1088 18.943 51.267 19.679 1.00 15.33 N ATOM 655 CA CYS A1088 20.085 51.568 20.528 1.00 15.72 C ATOM 656 C CYS A1088 19.954 52.994 21.017 1.00 15.74 C ATOM 657 O CYS A1088 19.843 53.925 20.224 1.00 16.72 O ATOM 658 CB CYS A1088 21.380 51.388 19.750 1.00 16.65 C ATOM 659 SG CYS A1088 21.550 49.717 19.132 1.00 21.40 S ATOM 660 N ILE A1089 19.963 53.158 22.331 1.00 14.95 N ATOM 661 CA ILE A1089 19.817 54.474 22.921 1.00 15.07 C ATOM 662 C ILE A1089 21.053 54.859 23.708 1.00 15.99 C ATOM 663 O ILE A1089 21.482 54.146 24.616 1.00 14.69 O ATOM 664 CB ILE A1089 18.597 54.514 23.847 1.00 16.04 C ATOM 665 CG1 ILE A1089 17.356 54.078 23.060 1.00 18.44 C ATOM 666 CG2 ILE A1089 18.424 55.914 24.424 1.00 16.06 C ATOM 667 CD1 ILE A1089 16.125 53.848 23.907 1.00 21.12 C ATOM 668 N THR A1090 21.634 55.990 23.341 1.00 16.38 N ATOM 669 CA THR A1090 22.812 56.470 24.033 1.00 19.03 C ATOM 670 C THR A1090 22.394 57.661 24.867 1.00 20.03 C ATOM 671 O THR A1090 21.644 58.528 24.412 1.00 19.19 O ATOM 672 CB THR A1090 23.917 56.878 23.052 1.00 19.20 C ATOM 673 OG1 THR A1090 24.261 55.751 22.234 1.00 20.82 O ATOM 674 CG2 THR A1090 25.156 57.338 23.812 1.00 21.82 C ATOM 675 N PHE A1091 22.874 57.682 26.101 1.00 22.41 N ATOM 676 CA PHE A1091 22.556 58.745 27.033 1.00 25.59 C ATOM 677 C PHE A1091 23.684 59.764 27.118 1.00 27.11 C ATOM 678 O PHE A1091 24.847 59.403 27.280 1.00 27.33 O ATOM 679 CB PHE A1091 22.301 58.152 28.421 1.00 24.59 C ATOM 680 CG PHE A1091 22.006 59.178 29.470 1.00 27.34 C ATOM 681 CD1 PHE A1091 22.569 59.074 30.738 1.00 28.10 C ATOM 682 CD2 PHE A1091 21.164 60.250 29.198 1.00 28.60 C ATOM 683 CE1 PHE A1091 22.298 60.025 31.716 1.00 28.46 C ATOM 684 CE2 PHE A1091 20.886 61.206 30.171 1.00 29.76 C ATOM 685 CZ PHE A1091 21.456 61.093 31.432 1.00 29.41 C ATOM 686 N ASP A1092 23.326 61.036 27.000 1.00 28.78 N ATOM 687 CA ASP A1092 24.289 62.125 27.086 1.00 31.00 C ATOM 688 C ASP A1092 23.666 63.244 27.914 1.00 31.34 C ATOM 689 O ASP A1092 22.447 63.304 28.070 1.00 31.32 O ATOM 690 CB ASP A1092 24.660 62.619 25.685 1.00 33.54 C ATOM 691 CG ASP A1092 25.689 61.729 25.008 1.00 36.50 C ATOM 692 OD1 ASP A1092 25.560 61.477 23.792 1.00 38.20 O ATOM 693 OD2 ASP A1092 26.638 61.288 25.690 1.00 38.63 O ATOM 694 N GLN A1093 24.502 64.126 28.448 1.00 31.44 N ATOM 695 CA GLN A1093 24.017 65.214 29.284 1.00 31.29 C ATOM 696 C GLN A1093 23.020 66.138 28.582 1.00 29.36 C ATOM 697 O GLN A1093 22.006 66.521 29.163 1.00 29.30 O ATOM 698 CB GLN A1093 25.199 66.033 29.807 1.00 34.23 C ATOM 699 CG GLN A1093 24.879 66.878 31.032 1.00 37.84 C ATOM 700 CD GLN A1093 24.476 66.036 32.233 1.00 39.35 C ATOM 701 OE1 GLN A1093 23.425 65.394 32.234 1.00 40.41 O ATOM 702 NE2 GLN A1093 25.318 66.033 33.263 1.00 40.48 N ATOM 703 N ALA A1094 23.302 66.483 27.330 1.00 27.69 N ATOM 704 CA ALA A1094 22.430 67.374 26.573 1.00 25.75 C ATOM 705 C ALA A1094 21.283 66.667 25.852 1.00 24.58 C ATOM 706 O ALA A1094 20.155 67.162 25.830 1.00 23.77 O ATOM 707 CB ALA A1094 23.255 68.162 25.569 1.00 26.37 C ATOM 708 N ASN A1095 21.568 65.509 25.267 1.00 22.46 N ATOM 709 CA ASN A1095 20.550 64.769 24.525 1.00 21.14 C ATOM 710 C ASN A1095 20.727 63.263 24.607 1.00 19.68 C ATOM 711 O ASN A1095 21.778 62.757 24.999 1.00 21.87 O ATOM 712 CB ASN A1095 20.611 65.128 23.035 1.00 21.88 C ATOM 713 CG ASN A1095 19.967 66.459 22.714 1.00 24.10 C ATOM 714 OD1 ASN A1095 18.788 66.525 22.373 1.00 24.83 O ATOM 715 ND2 ASN A1095 20.744 67.531 22.814 1.00 25.82 N ATOM 716 N LEU A1096 19.674 62.552 24.228 1.00 18.74 N ATOM 717 CA LEU A1096 19.724 61.108 24.145 1.00 16.49 C ATOM 718 C LEU A1096 19.775 60.902 22.640 1.00 16.44 C ATOM 719 O LEU A1096 19.165 61.667 21.895 1.00 16.81 O ATOM 720 CB LEU A1096 18.455 60.458 24.697 1.00 18.25 C ATOM 721 CG LEU A1096 18.280 60.412 26.213 1.00 18.19 C ATOM 722 CD1 LEU A1096 17.451 61.594 26.681 1.00 20.37 C ATOM 723 CD2 LEU A1096 17.601 59.105 26.590 1.00 18.86 C ATOM 724 N THR A1097 20.523 59.904 22.190 1.00 14.03 N ATOM 725 CA THR A1097 20.603 59.616 20.770 1.00 14.72 C ATOM 726 C THR A1097 19.959 58.256 20.559 1.00 13.80 C ATOM 727 O THR A1097 20.281 57.289 21.256 1.00 14.39 O ATOM 728 CB THR A1097 22.065 59.586 20.278 1.00 15.93 C ATOM 729 OG1 THR A1097 22.664 60.869 20.498 1.00 18.46 O ATOM 730 CG2 THR A1097 22.121 59.265 18.788 1.00 17.58 C ATOM 731 N VAL A1098 19.029 58.188 19.615 1.00 12.56 N ATOM 732 CA VAL A1098 18.340 56.942 19.319 1.00 12.26 C ATOM 733 C VAL A1098 18.716 56.455 17.929 1.00 12.01 C ATOM 734 O VAL A1098 18.595 57.199 16.950 1.00 12.51 O ATOM 735 CB VAL A1098 16.800 57.128 19.373 1.00 11.75 C ATOM 736 CG1 VAL A1098 16.097 55.804 19.066 1.00 10.85 C ATOM 737 CG2 VAL A1098 16.387 57.648 20.738 1.00 13.24 C ATOM 738 N LYS A1099 19.191 55.217 17.841 1.00 11.65 N ATOM 739 CA LYS A1099 19.534 54.641 16.547 1.00 12.06 C ATOM 740 C LYS A1099 18.501 53.554 16.280 1.00 12.50 C ATOM 741 O LYS A1099 18.367 52.606 17.055 1.00 12.03 O ATOM 742 CB LYS A1099 20.944 54.037 16.543 1.00 14.22 C ATOM 743 CG LYS A1099 21.327 53.489 15.170 1.00 16.02 C ATOM 744 CD LYS A1099 22.731 52.895 15.123 1.00 21.46 C ATOM 745 CE LYS A1099 23.812 53.956 15.212 1.00 23.45 C ATOM 746 NZ LYS A1099 25.157 53.345 14.980 1.00 25.25 N ATOM 747 N LEU A1100 17.766 53.719 15.185 1.00 11.09 N ATOM 748 CA LEU A1100 16.704 52.799 14.796 1.00 11.74 C ATOM 749 C LEU A1100 17.204 51.573 14.034 1.00 12.04 C ATOM 750 O LEU A1100 18.356 51.523 13.609 1.00 13.24 O ATOM 751 CB LEU A1100 15.671 53.564 13.963 1.00 10.88 C ATOM 752 CG LEU A1100 15.046 54.761 14.692 1.00 13.46 C ATOM 753 CD1 LEU A1100 14.158 55.545 13.736 1.00 13.63 C ATOM 754 CD2 LEU A1100 14.242 54.275 15.897 1.00 13.60 C ATOM 755 N PRO A1101 16.333 50.565 13.852 1.00 14.39 N ATOM 756 CA PRO A1101 16.680 49.329 13.145 1.00 13.50 C ATOM 757 C PRO A1101 17.409 49.489 11.814 1.00 14.87 C ATOM 758 O PRO A1101 18.274 48.676 11.484 1.00 16.15 O ATOM 759 CB PRO A1101 15.330 48.641 12.979 1.00 12.87 C ATOM 760 CG PRO A1101 14.612 49.034 14.213 1.00 13.63 C ATOM 761 CD PRO A1101 14.943 50.505 14.342 1.00 13.16 C ATOM 762 N ASP A1102 17.075 50.527 11.051 1.00 14.16 N ATOM 763 CA ASP A1102 17.716 50.729 9.757 1.00 14.04 C ATOM 764 C ASP A1102 18.905 51.684 9.783 1.00 14.42 C ATOM 765 O ASP A1102 19.412 52.074 8.733 1.00 15.74 O ATOM 766 CB ASP A1102 16.689 51.209 8.727 1.00 15.33 C ATOM 767 CG ASP A1102 16.153 52.588 9.032 1.00 15.94 C ATOM 768 OD1 ASP A1102 16.377 53.088 10.154 1.00 15.09 O ATOM 769 OD2 ASP A1102 15.497 53.170 8.144 1.00 19.35 O ATOM 770 N GLY A1103 19.353 52.055 10.979 1.00 14.27 N ATOM 771 CA GLY A1103 20.496 52.946 11.091 1.00 13.60 C ATOM 772 C GLY A1103 20.162 54.420 11.232 1.00 13.20 C ATOM 773 O GLY A1103 21.036 55.242 11.520 1.00 12.85 O ATOM 774 N TYR A1104 18.900 54.770 11.021 1.00 12.91 N ATOM 775 CA TYR A1104 18.500 56.161 11.146 1.00 13.16 C ATOM 776 C TYR A1104 18.690 56.572 12.599 1.00 13.69 C ATOM 777 O TYR A1104 18.333 55.826 13.512 1.00 14.40 O ATOM 778 CB TYR A1104 17.034 56.330 10.755 1.00 12.73 C ATOM 779 CG TYR A1104 16.588 57.770 10.676 1.00 14.07 C ATOM 780 CD1 TYR A1104 16.798 58.524 9.521 1.00 15.02 C ATOM 781 CD2 TYR A1104 15.935 58.375 11.748 1.00 13.72 C ATOM 782 CE1 TYR A1104 16.358 59.844 9.434 1.00 14.90 C ATOM 783 CE2 TYR A1104 15.497 59.695 11.676 1.00 14.13 C ATOM 784 CZ TYR A1104 15.708 60.421 10.513 1.00 13.79 C ATOM 785 OH TYR A1104 15.249 61.717 10.427 1.00 15.09 O ATOM 786 N GLU A1105 19.265 57.750 12.815 1.00 13.50 N ATOM 787 CA GLU A1105 19.487 58.243 14.167 1.00 14.20 C ATOM 788 C GLU A1105 18.816 59.589 14.366 1.00 13.88 C ATOM 789 O GLU A1105 18.701 60.376 13.430 1.00 15.18 O ATOM 790 CB GLU A1105 20.979 58.434 14.444 1.00 17.98 C ATOM 791 CG GLU A1105 21.842 57.200 14.328 1.00 23.76 C ATOM 792 CD GLU A1105 23.301 57.512 14.599 1.00 27.70 C ATOM 793 OE1 GLU A1105 23.632 57.873 15.750 1.00 28.91 O ATOM 794 OE2 GLU A1105 24.116 57.408 13.656 1.00 31.73 O ATOM 795 N PHE A1106 18.363 59.846 15.586 1.00 12.93 N ATOM 796 CA PHE A1106 17.781 61.134 15.916 1.00 12.75 C ATOM 797 C PHE A1106 18.073 61.392 17.381 1.00 14.10 C ATOM 798 O PHE A1106 18.436 60.472 18.125 1.00 15.20 O ATOM 799 CB PHE A1106 16.270 61.188 15.634 1.00 11.32 C ATOM 800 CG PHE A1106 15.439 60.297 16.513 1.00 11.76 C ATOM 801 CD1 PHE A1106 15.188 58.977 16.150 1.00 12.78 C ATOM 802 CD2 PHE A1106 14.877 60.790 17.686 1.00 11.35 C ATOM 803 CE1 PHE A1106 14.384 58.158 16.939 1.00 12.81 C ATOM 804 CE2 PHE A1106 14.069 59.981 18.487 1.00 13.24 C ATOM 805 CZ PHE A1106 13.821 58.662 18.111 1.00 11.43 C ATOM 806 N LYS A1107 17.947 62.644 17.793 1.00 14.26 N ATOM 807 CA LYS A1107 18.210 62.997 19.175 1.00 14.38 C ATOM 808 C LYS A1107 16.968 63.549 19.847 1.00 14.51 C ATOM 809 O LYS A1107 16.066 64.075 19.189 1.00 13.34 O ATOM 810 CB LYS A1107 19.336 64.031 19.254 1.00 16.62 C ATOM 811 CG LYS A1107 20.672 63.539 18.725 1.00 19.03 C ATOM 812 CD LYS A1107 21.749 64.602 18.863 1.00 23.18 C ATOM 813 CE LYS A1107 23.061 64.142 18.246 1.00 24.54 C ATOM 814 NZ LYS A1107 23.612 62.927 18.907 1.00 27.11 N ATOM 815 N PHE A1108 16.925 63.402 21.165 1.00 14.65 N ATOM 816 CA PHE A1108 15.822 63.903 21.969 1.00 14.70 C ATOM 817 C PHE A1108 16.488 64.619 23.140 1.00 15.17 C ATOM 818 O PHE A1108 17.336 64.050 23.822 1.00 16.41 O ATOM 819 CB PHE A1108 14.950 62.754 22.476 1.00 15.20 C ATOM 820 CG PHE A1108 13.654 63.207 23.086 1.00 13.46 C ATOM 821 CD1 PHE A1108 12.650 63.750 22.291 1.00 14.08 C ATOM 822 CD2 PHE A1108 13.447 63.124 24.458 1.00 12.73 C ATOM 823 CE1 PHE A1108 11.454 64.206 22.854 1.00 13.53 C ATOM 824 CE2 PHE A1108 12.256 63.578 25.031 1.00 13.26 C ATOM 825 CZ PHE A1108 11.258 64.120 24.228 1.00 13.37 C ATOM 826 N PRO A1109 16.112 65.881 23.388 1.00 15.96 N ATOM 827 CA PRO A1109 16.707 66.649 24.485 1.00 16.50 C ATOM 828 C PRO A1109 16.509 66.038 25.869 1.00 16.62 C ATOM 829 O PRO A1109 15.456 65.475 26.165 1.00 17.22 O ATOM 830 CB PRO A1109 16.041 68.016 24.344 1.00 17.93 C ATOM 831 CG PRO A1109 14.678 67.664 23.834 1.00 17.90 C ATOM 832 CD PRO A1109 14.987 66.615 22.780 1.00 17.61 C ATOM 833 N ASN A1110 17.544 66.143 26.700 1.00 17.62 N ATOM 834 CA ASN A1110 17.503 65.630 28.067 1.00 17.80 C ATOM 835 C ASN A1110 16.898 66.734 28.927 1.00 17.74 C ATOM 836 O ASN A1110 17.578 67.355 29.746 1.00 18.82 O ATOM 837 CB ASN A1110 18.921 65.285 28.537 1.00 19.26 C ATOM 838 CG ASN A1110 18.960 64.767 29.962 1.00 20.04 C ATOM 839 OD1 ASN A1110 17.942 64.360 30.521 1.00 19.17 O ATOM 840 ND2 ASN A1110 20.149 64.767 30.554 1.00 21.57 N ATOM 841 N ARG A1111 15.606 66.965 28.716 1.00 17.63 N ATOM 842 CA ARG A1111 14.848 68.002 29.408 1.00 18.71 C ATOM 843 C ARG A1111 14.899 67.946 30.930 1.00 20.05 C ATOM 844 O ARG A1111 14.892 68.986 31.591 1.00 20.30 O ATOM 845 CB ARG A1111 13.390 67.955 28.949 1.00 18.27 C ATOM 846 CG ARG A1111 13.204 68.243 27.463 1.00 17.87 C ATOM 847 CD ARG A1111 11.797 67.895 27.024 1.00 18.08 C ATOM 848 NE ARG A1111 11.534 68.266 25.636 1.00 17.27 N ATOM 849 CZ ARG A1111 10.509 67.804 24.930 1.00 16.93 C ATOM 850 NH1 ARG A1111 9.657 66.952 25.484 1.00 14.99 N ATOM 851 NH2 ARG A1111 10.331 68.199 23.674 1.00 15.53 N ATOM 852 N LEU A1112 14.939 66.740 31.487 1.00 21.33 N ATOM 853 CA LEU A1112 14.985 66.579 32.937 1.00 22.12 C ATOM 854 C LEU A1112 16.393 66.743 33.505 1.00 22.61 C ATOM 855 O LEU A1112 16.581 66.716 34.722 1.00 21.64 O ATOM 856 CB LEU A1112 14.430 65.208 33.340 1.00 22.30 C ATOM 857 CG LEU A1112 12.920 64.972 33.232 1.00 23.75 C ATOM 858 CD1 LEU A1112 12.449 65.150 31.797 1.00 25.28 C ATOM 859 CD2 LEU A1112 12.606 63.565 33.720 1.00 24.31 C ATOM 860 N ASN A1113 17.378 66.908 32.626 1.00 22.81 N ATOM 861 CA ASN A1113 18.761 67.079 33.060 1.00 24.75 C ATOM 862 C ASN A1113 19.236 65.904 33.911 1.00 24.90 C ATOM 863 O ASN A1113 19.954 66.087 34.892 1.00 24.76 O ATOM 864 CB ASN A1113 18.902 68.378 33.858 1.00 27.28 C ATOM 865 CG ASN A1113 18.679 69.612 33.006 1.00 29.65 C ATOM 866 OD1 ASN A1113 18.323 70.675 33.515 1.00 33.63 O ATOM 867 ND2 ASN A1113 18.902 69.482 31.703 1.00 29.37 N ATOM 868 N LEU A1114 18.824 64.698 33.540 1.00 24.65 N ATOM 869 CA LEU A1114 19.235 63.507 34.273 1.00 24.77 C ATOM 870 C LEU A1114 20.735 63.307 34.105 1.00 24.76 C ATOM 871 O LEU A1114 21.292 63.608 33.051 1.00 24.76 O ATOM 872 CB LEU A1114 18.488 62.278 33.744 1.00 24.51 C ATOM 873 CG LEU A1114 17.252 61.792 34.507 1.00 27.32 C ATOM 874 CD1 LEU A1114 16.357 62.954 34.895 1.00 26.24 C ATOM 875 CD2 LEU A1114 16.507 60.783 33.645 1.00 25.57 C ATOM 876 N GLU A1115 21.392 62.812 35.149 1.00 25.19 N ATOM 877 CA GLU A1115 22.827 62.565 35.082 1.00 25.32 C ATOM 878 C GLU A1115 23.064 61.074 34.907 1.00 23.65 C ATOM 879 O GLU A1115 24.194 60.623 34.724 1.00 23.06 O ATOM 880 CB GLU A1115 23.517 63.055 36.355 1.00 28.26 C ATOM 881 CG GLU A1115 23.408 64.554 36.575 1.00 32.08 C ATOM 882 CD GLU A1115 24.215 65.023 37.767 1.00 34.58 C ATOM 883 OE1 GLU A1115 23.961 64.532 38.887 1.00 35.81 O ATOM 884 OE2 GLU A1115 25.104 65.882 37.584 1.00 36.37 O ATOM 885 N ALA A1116 21.978 60.313 34.960 1.00 21.68 N ATOM 886 CA ALA A1116 22.048 58.872 34.802 1.00 20.76 C ATOM 887 C ALA A1116 20.647 58.319 34.594 1.00 19.11 C ATOM 888 O ALA A1116 19.661 58.914 35.028 1.00 19.56 O ATOM 889 CB ALA A1116 22.685 58.238 36.035 1.00 21.64 C ATOM 890 N ILE A1117 20.563 57.191 33.902 1.00 18.58 N ATOM 891 CA ILE A1117 19.285 56.541 33.661 1.00 18.43 C ATOM 892 C ILE A1117 19.257 55.299 34.540 1.00 18.55 C ATOM 893 O ILE A1117 20.100 54.414 34.398 1.00 19.93 O ATOM 894 CB ILE A1117 19.128 56.132 32.180 1.00 17.47 C ATOM 895 CG1 ILE A1117 18.990 57.388 31.310 1.00 18.57 C ATOM 896 CG2 ILE A1117 17.908 55.233 32.012 1.00 18.33 C ATOM 897 CD1 ILE A1117 18.842 57.097 29.821 1.00 20.89 C ATOM 898 N ASN A1118 18.298 55.239 35.456 1.00 18.12 N ATOM 899 CA ASN A1118 18.198 54.093 36.356 1.00 19.82 C ATOM 900 C ASN A1118 16.950 53.256 36.143 1.00 19.39 C ATOM 901 O ASN A1118 16.800 52.195 36.749 1.00 20.23 O ATOM 902 CB ASN A1118 18.223 54.559 37.811 1.00 21.77 C ATOM 903 CG ASN A1118 19.598 55.000 38.256 1.00 25.13 C ATOM 904 OD1 ASN A1118 19.863 56.193 38.411 1.00 27.78 O ATOM 905 ND2 ASN A1118 20.488 54.035 38.459 1.00 25.87 N ATOM 906 N TYR A1119 16.066 53.720 35.268 1.00 18.09 N ATOM 907 CA TYR A1119 14.810 53.029 35.027 1.00 16.76 C ATOM 908 C TYR A1119 14.504 52.788 33.555 1.00 16.74 C ATOM 909 O TYR A1119 14.686 53.669 32.716 1.00 15.68 O ATOM 910 CB TYR A1119 13.682 53.847 35.656 1.00 16.49 C ATOM 911 CG TYR A1119 12.285 53.334 35.398 1.00 15.69 C ATOM 912 CD1 TYR A1119 11.693 52.397 36.243 1.00 16.53 C ATOM 913 CD2 TYR A1119 11.537 53.822 34.328 1.00 16.23 C ATOM 914 CE1 TYR A1119 10.384 51.965 36.029 1.00 17.35 C ATOM 915 CE2 TYR A1119 10.236 53.398 34.104 1.00 15.82 C ATOM 916 CZ TYR A1119 9.663 52.474 34.957 1.00 16.75 C ATOM 917 OH TYR A1119 8.368 52.078 34.736 1.00 17.06 O ATOM 918 N MET A1120 14.034 51.583 33.257 1.00 16.54 N ATOM 919 CA MET A1120 13.658 51.207 31.901 1.00 17.28 C ATOM 920 C MET A1120 12.418 50.330 31.988 1.00 17.20 C ATOM 921 O MET A1120 12.339 49.438 32.832 1.00 18.81 O ATOM 922 CB MET A1120 14.776 50.420 31.217 1.00 19.97 C ATOM 923 CG MET A1120 14.380 49.878 29.852 1.00 25.55 C ATOM 924 SD MET A1120 15.469 48.558 29.287 1.00 30.86 S ATOM 925 CE MET A1120 14.789 47.167 30.165 1.00 31.34 C ATOM 926 N ALA A1121 11.447 50.584 31.120 1.00 16.44 N ATOM 927 CA ALA A1121 10.224 49.794 31.114 1.00 15.85 C ATOM 928 C ALA A1121 9.719 49.636 29.693 1.00 16.95 C ATOM 929 O ALA A1121 9.741 50.586 28.909 1.00 17.38 O ATOM 930 CB ALA A1121 9.160 50.460 31.970 1.00 16.49 C ATOM 931 N ALA A1122 9.276 48.429 29.363 1.00 15.70 N ATOM 932 CA ALA A1122 8.746 48.148 28.037 1.00 15.84 C ATOM 933 C ALA A1122 7.257 47.895 28.180 1.00 16.65 C ATOM 934 O ALA A1122 6.809 47.333 29.176 1.00 16.48 O ATOM 935 CB ALA A1122 9.428 46.924 27.440 1.00 15.81 C ATOM 936 N ASP A1123 6.486 48.323 27.191 1.00 18.03 N ATOM 937 CA ASP A1123 5.048 48.117 27.228 1.00 20.42 C ATOM 938 C ASP A1123 4.527 48.061 25.802 1.00 21.39 C ATOM 939 O ASP A1123 5.233 48.412 24.857 1.00 21.00 O ATOM 940 CB ASP A1123 4.365 49.261 27.977 1.00 24.08 C ATOM 941 CG ASP A1123 2.942 48.924 28.384 1.00 27.07 C ATOM 942 OD1 ASP A1123 2.210 49.849 28.799 1.00 30.21 O ATOM 943 OD2 ASP A1123 2.558 47.735 28.301 1.00 28.49 O ATOM 944 N GLY A1124 3.293 47.603 25.647 1.00 21.58 N ATOM 945 CA GLY A1124 2.717 47.531 24.322 1.00 21.34 C ATOM 946 C GLY A1124 3.031 46.254 23.574 1.00 21.38 C ATOM 947 O GLY A1124 3.431 45.249 24.159 1.00 20.36 O ATOM 948 N ASP A1125 2.875 46.315 22.259 1.00 20.53 N ATOM 949 CA ASP A1125 3.087 45.159 21.402 1.00 22.06 C ATOM 950 C ASP A1125 4.532 44.939 20.959 1.00 21.71 C ATOM 951 O ASP A1125 4.840 44.909 19.763 1.00 20.91 O ATOM 952 CB ASP A1125 2.150 45.285 20.205 1.00 22.82 C ATOM 953 CG ASP A1125 0.744 45.682 20.625 1.00 25.39 C ATOM 954 OD1 ASP A1125 0.229 45.082 21.594 1.00 25.68 O ATOM 955 OD2 ASP A1125 0.152 46.592 20.004 1.00 25.18 O ATOM 956 N PHE A1126 5.407 44.760 21.943 1.00 21.14 N ATOM 957 CA PHE A1126 6.833 44.541 21.711 1.00 22.27 C ATOM 958 C PHE A1126 7.348 43.607 22.807 1.00 22.64 C ATOM 959 O PHE A1126 7.381 43.978 23.978 1.00 24.62 O ATOM 960 CB PHE A1126 7.569 45.882 21.778 1.00 21.97 C ATOM 961 CG PHE A1126 9.012 45.823 21.353 1.00 20.67 C ATOM 962 CD1 PHE A1126 9.363 45.459 20.056 1.00 20.35 C ATOM 963 CD2 PHE A1126 10.019 46.194 22.238 1.00 21.65 C ATOM 964 CE1 PHE A1126 10.697 45.471 19.644 1.00 20.57 C ATOM 965 CE2 PHE A1126 11.358 46.210 21.838 1.00 19.99 C ATOM 966 CZ PHE A1126 11.696 45.850 20.541 1.00 20.16 C ATOM 967 N LYS A1127 7.739 42.396 22.426 1.00 22.34 N ATOM 968 CA LYS A1127 8.241 41.416 23.387 1.00 22.99 C ATOM 969 C LYS A1127 9.767 41.449 23.397 1.00 20.54 C ATOM 970 O LYS A1127 10.408 41.028 22.436 1.00 21.18 O ATOM 971 CB LYS A1127 7.748 40.020 23.006 1.00 24.09 C ATOM 972 CG LYS A1127 8.111 38.920 23.995 1.00 26.95 C ATOM 973 CD LYS A1127 7.602 37.574 23.498 1.00 29.29 C ATOM 974 CE LYS A1127 7.952 36.447 24.458 1.00 31.77 C ATOM 975 NZ LYS A1127 7.501 35.125 23.936 1.00 32.66 N ATOM 976 N ILE A1128 10.340 41.951 24.484 1.00 20.31 N ATOM 977 CA ILE A1128 11.791 42.050 24.598 1.00 20.89 C ATOM 978 C ILE A1128 12.474 40.690 24.529 1.00 20.43 C ATOM 979 O ILE A1128 12.073 39.740 25.206 1.00 22.28 O ATOM 980 CB ILE A1128 12.201 42.777 25.906 1.00 21.37 C ATOM 981 CG1 ILE A1128 11.735 44.237 25.851 1.00 22.64 C ATOM 982 CG2 ILE A1128 13.715 42.720 26.093 1.00 20.25 C ATOM 983 CD1 ILE A1128 12.204 45.087 27.019 1.00 25.19 C ATOM 984 N LYS A1129 13.503 40.600 23.693 1.00 19.47 N ATOM 985 CA LYS A1129 14.251 39.361 23.526 1.00 19.62 C ATOM 986 C LYS A1129 15.619 39.495 24.171 1.00 18.37 C ATOM 987 O LYS A1129 16.233 38.502 24.557 1.00 17.54 O ATOM 988 CB LYS A1129 14.403 39.022 22.042 1.00 21.71 C ATOM 989 CG LYS A1129 13.082 38.757 21.326 1.00 25.19 C ATOM 990 CD LYS A1129 12.283 37.643 21.998 1.00 28.01 C ATOM 991 CE LYS A1129 13.033 36.318 21.972 1.00 30.35 C ATOM 992 NZ LYS A1129 12.229 35.218 22.581 1.00 32.43 N ATOM 993 N CYS A1130 16.105 40.726 24.274 1.00 17.30 N ATOM 994 CA CYS A1130 17.391 40.955 24.910 1.00 18.53 C ATOM 995 C CYS A1130 17.689 42.425 25.114 1.00 17.67 C ATOM 996 O CYS A1130 17.248 43.282 24.350 1.00 16.41 O ATOM 997 CB CYS A1130 18.523 40.299 24.112 1.00 20.55 C ATOM 998 SG CYS A1130 19.188 41.263 22.749 1.00 25.99 S ATOM 999 N VAL A1131 18.416 42.709 26.184 1.00 15.72 N ATOM 1000 CA VAL A1131 18.802 44.069 26.500 1.00 16.03 C ATOM 1001 C VAL A1131 20.270 44.037 26.878 1.00 16.23 C ATOM 1002 O VAL A1131 20.706 43.164 27.629 1.00 15.18 O ATOM 1003 CB VAL A1131 17.992 44.632 27.688 1.00 16.87 C ATOM 1004 CG1 VAL A1131 18.436 46.056 27.985 1.00 17.40 C ATOM 1005 CG2 VAL A1131 16.506 44.600 27.371 1.00 18.01 C ATOM 1006 N ALA A1132 21.037 44.973 26.332 1.00 16.14 N ATOM 1007 CA ALA A1132 22.453 45.062 26.641 1.00 17.20 C ATOM 1008 C ALA A1132 22.704 46.428 27.267 1.00 19.95 C ATOM 1009 O ALA A1132 22.323 47.456 26.706 1.00 18.85 O ATOM 1010 CB ALA A1132 23.280 44.893 25.379 1.00 16.72 C ATOM 1011 N PHE A1133 23.315 46.425 28.448 1.00 22.99 N ATOM 1012 CA PHE A1133 23.622 47.656 29.171 1.00 27.33 C ATOM 1013 C PHE A1133 25.127 47.861 29.128 1.00 30.89 C ATOM 1014 O PHE A1133 25.867 47.203 29.856 1.00 31.31 O ATOM 1015 CB PHE A1133 23.178 47.557 30.636 1.00 26.85 C ATOM 1016 CG PHE A1133 21.805 46.970 30.827 1.00 27.74 C ATOM 1017 CD1 PHE A1133 21.608 45.595 30.776 1.00 26.61 C ATOM 1018 CD2 PHE A1133 20.710 47.795 31.060 1.00 27.19 C ATOM 1019 CE1 PHE A1133 20.338 45.046 30.955 1.00 27.47 C ATOM 1020 CE2 PHE A1133 19.435 47.258 31.241 1.00 28.05 C ATOM 1021 CZ PHE A1133 19.249 45.882 31.188 1.00 27.28 C ATOM 1022 N ASP A1134 25.585 48.772 28.277 1.00 35.05 N ATOM 1023 CA ASP A1134 27.007 49.073 28.206 1.00 38.80 C ATOM 1024 C ASP A1134 27.275 50.565 28.375 1.00 39.93 C ATOM 1025 O ASP A1134 28.067 51.123 27.585 1.00 41.11 O ATOM 1026 CB ASP A1134 27.567 48.585 26.871 1.00 41.11 C ATOM 1027 CG ASP A1134 28.331 47.285 27.008 1.00 43.71 C ATOM 1028 OD1 ASP A1134 28.821 47.002 28.120 1.00 45.46 O ATOM 1029 OD2 ASP A1134 28.437 46.544 26.005 1.00 44.13 O ATOM 1030 OXT ASP A1134 26.699 51.158 29.311 1.00 40.79 O TER 1031 ASP A1134 HETATM 1032 C1 BME A2136 19.749 49.455 16.009 1.00 34.26 C HETATM 1033 C2 BME A2136 20.779 50.546 16.238 1.00 34.51 C HETATM 1034 O1 BME A2136 20.348 48.228 15.641 1.00 36.17 O HETATM 1035 S2 BME A2136 22.204 49.997 17.230 1.00 31.72 S HETATM 1036 C1 BME A2137 22.584 41.902 21.888 1.00 39.22 C HETATM 1037 C2 BME A2137 21.872 41.805 23.229 1.00 38.42 C HETATM 1038 O1 BME A2137 23.060 40.643 21.456 1.00 41.71 O HETATM 1039 S2 BME A2137 20.345 42.798 23.300 1.00 34.66 S CONECT 96 103 97 95 CONECT 107 104 108 110 CONECT 104 103 105 107 CONECT 105 104 106 CONECT 103 96 104 CONECT 108 107 CONECT 109 106 CONECT 106 105 109 CONECT 110 111 107 CONECT 659 1035 658 CONECT 998 1039 997 CONECT 1032 1033 1034 CONECT 1033 1032 1035 CONECT 1034 1032 CONECT 1035 1033 659 CONECT 1036 1037 1038 CONECT 1037 1039 1036 CONECT 1038 1036 CONECT 1039 1037 998 END If you find results from this site helpful for your research, please cite one of our papers:
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