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*** galectin1 (dimero con lactosa) ***elNémo ID: 2404011117011820460Job options:ID = 2404011117011820460 JOBID = galectin1 (dimero con lactosa) USERID = jorgee 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 galectin1 (dimero con lactosa) HEADER SUGAR BINDING PROTEIN 20-AUG-04 1W6O TITLE X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 COMPLEXED WITH LACTOSE 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, SUGAR KEYWDS 2 BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR M.I.F.LOPEZ-LUCENDO,H.J.GABIUS,A.ROMERO REVDAT 7 13-DEC-23 1W6O 1 HETSYN REVDAT 6 29-JUL-20 1W6O 1 COMPND REMARK HET HETNAM REVDAT 6 2 1 FORMUL LINK SITE ATOM REVDAT 5 24-JUL-19 1W6O 1 REMARK REVDAT 4 08-MAY-19 1W6O 1 REMARK LINK REVDAT 3 06-OCT-09 1W6O 1 HEADER KEYWDS REMARK HETNAM REVDAT 2 24-FEB-09 1W6O 1 VERSN REVDAT 1 20-OCT-04 1W6O 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. 1.90 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) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.18 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1487364.510 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 24611 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) : 0.202 REMARK 3 FREE R VALUE : 0.224 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 3.900 REMARK 3 FREE R VALUE TEST SET COUNT : 968 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 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) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.02 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.30 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3864 REMARK 3 BIN R VALUE (WORKING SET) : 0.1950 REMARK 3 BIN FREE R VALUE : 0.2400 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 3.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 151 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.020 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 : 71 REMARK 3 SOLVENT ATOMS : 250 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 6.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.89000 REMARK 3 B22 (A**2) : -1.68000 REMARK 3 B33 (A**2) : -1.21000 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) : 0.21 REMARK 3 ESD FROM SIGMAA (A) : 0.07 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) : 0.25 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.13 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.400 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.70 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.150 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) : 1.220 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.900 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.100 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.160 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.37 REMARK 3 BSOL : 46.71 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 : SULFATO.PARAM REMARK 3 PARAMETER FILE 4 : LAC.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 : SULFATO.TOP REMARK 3 TOPOLOGY FILE 4 : LAC.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1W6O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 20-AUG-04. REMARK 100 THE DEPOSITION ID IS D_1290020832. 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) : 0.9035 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEACH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 28964 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 24.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 5.200 REMARK 200 R MERGE (I) : 0.04000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 REMARK 200 DATA REDUNDANCY IN SHELL : 4.10 REMARK 200 R MERGE FOR SHELL (I) : 0.20000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.100 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 (%): 52.30 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% REMARK REMARK 280 280 BETA-MERCAPTO ETHANOL,PH 5.6). THE GALACTOSE COMPLEX WAS REMARK 280 OBTAINED BY SOAKING C2S CRYSTALS FOR 72H IN THE MOTHER LIQUOR REMARK 280 SUPPLEMENTED WITH 10 MM OF LACTOSE, PH 5.60, VAPOR DIFFUSION, REMARK 280 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 18.35600 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 46.84150 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.09950 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 46.84150 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.35600 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.09950 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 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 TOTAL BURIED SURFACE AREA: 1520 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 13970 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -5.3 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 O HOH B 5061 O HOH B 5062 1.58 REMARK 500 OXT ASP A 1134 CE LYS B 2129 2.09 REMARK 500 OXT ASP A 1134 NZ LYS B 2129 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 2097 O HOH B 5130 3655 2.05 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ALA A1001 CA - C - N ANGL. DEV. = -14.2 DEGREES REMARK 500 SER A1002 C - N - CA ANGL. DEV. = 25.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A1002 -87.09 -35.66 REMARK 500 ASN A1050 89.20 -158.59 REMARK 500 SER B2002 -171.62 -60.53 REMARK 500 ASN B2050 85.85 -155.97 REMARK 500 ASN B2056 59.98 37.19 REMARK 500 PHE B2077 72.31 -150.79 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ALA A 1001 SER A 1002 -69.33 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ALA A1001 -23.84 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 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: 1W6N RELATED DB: PDB REMARK 900 X-RAY CRYSTAL STRUCTURE OF C2S HUMAN GALECTIN-1 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 1W6O A 1001 1134 UNP P09382 LEG1_HUMAN 1 134 DBREF 1W6O B 2001 2134 UNP P09382 LEG1_HUMAN 1 134 SEQADV 1W6O SER A 1002 UNP P09382 CYS 2 ENGINEERED MUTATION SEQADV 1W6O ASP A 1065 UNP P09382 GLY 65 ENGINEERED MUTATION SEQADV 1W6O SER B 2002 UNP P09382 CYS 2 ENGINEERED MUTATION SEQADV 1W6O 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 1W6O CSO A 1016 CYS S-HYDROXYCYSTEINE HET CSO A1016 7 HET BGC C 1 12 HET GAL C 2 11 HET BGC D 1 12 HET GAL D 2 11 HET BME A2137 4 HET BME A2138 4 HET SO4 B3135 5 HET BME B3138 4 HET BME B3139 4 HET BME B3140 4 HETNAM CSO S-HYDROXYCYSTEINE HETNAM BGC BETA-D-GLUCOPYRANOSE HETNAM GAL BETA-D-GALACTOPYRANOSE HETNAM BME BETA-MERCAPTOETHANOL HETNAM SO4 SULFATE ION HETSYN BGC BETA-D-GLUCOSE; D-GLUCOSE; GLUCOSE HETSYN GAL BETA-D-GALACTOSE; D-GALACTOSE; GALACTOSE FORMUL 1 CSO C3 H7 N O3 S FORMUL 3 BGC 2(C6 H12 O6) FORMUL 3 GAL 2(C6 H12 O6) FORMUL 5 BME 5(C2 H6 O S) FORMUL 7 SO4 O4 S 2- FORMUL 11 HOH *250(H2 O) SHEET 1 AA11 ALA A1067 TRP A1068 0 SHEET 2 AA11 ASP A1054 ASP A1064 -1 O ASP A1064 N ALA A1067 SHEET 3 AA11 ASN A1040 ALA A1051 -1 O LEU A1041 N LYS A1063 SHEET 4 AA11 PHE A1030 ASP A1037 -1 N PHE A1030 O PRO A1047 SHEET 5 AA11 ILE A1117 GLY A1124 -1 N ASN A1118 O GLY A1035 SHEET 6 AA11 VAL A1005 LEU A1011 -1 O ALA A1006 N MET A1120 SHEET 7 AA11 VAL B2005 SER B2007 -1 O VAL B2005 N SER A1007 SHEET 8 AA11 TYR B2119 ALA B2122 -1 O MET B2120 N ALA B2006 SHEET 9 AA11 LEU B2032 ASP B2037 -1 O ASN B2033 N ALA B2121 SHEET 10 AA11 ASN B2040 ALA B2051 -1 O ASN B2040 N LYS B2036 SHEET 11 AA11 ASP B2054 ASP B2064 -1 O ASP B2054 N ALA B2051 SHEET 1 AB 3 ALA A1067 TRP A1068 0 SHEET 2 AB 3 ASP A1054 ASP A1064 -1 O ASP A1064 N ALA A1067 SHEET 3 AB 3 GLN A1072 ARG A1073 -1 O GLN A1072 N CYS A1060 SHEET 1 AC10 GLU A1105 PRO A1109 0 SHEET 2 AC10 ASN A1095 LYS A1099 -1 O LEU A1096 N PHE A1108 SHEET 3 AC10 VAL A1084 PHE A1091 -1 O CYS A1088 N LYS A1099 SHEET 4 AC10 CSO A1016 VAL A1023 -1 O LEU A1017 N ILE A1089 SHEET 5 AC10 PHE A1126 PHE A1133 -1 O LYS A1127 N GLU A1022 SHEET 6 AC10 PHE B2126 PHE B2133 -1 O LYS B2129 N PHE A1133 SHEET 7 AC10 LEU B2017 VAL B2023 -1 O ARG B2018 N ALA B2132 SHEET 8 AC10 VAL B2084 PHE B2091 -1 O ALA B2085 N GLY B2021 SHEET 9 AC10 ASN B2095 LYS B2099 -1 O THR B2097 N THR B2090 SHEET 10 AC10 GLU B2105 PRO B2109 -1 O PHE B2106 N VAL B2098 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 A2137 1555 1555 1.92 LINK SG CYS A1130 S2 BME A2138 1555 1555 1.93 LINK SG CYS B2016 S2 BME B3138 1555 1555 1.92 LINK SG CYS B2088 S2 BME B3139 1555 1555 1.92 LINK SG CYS B2130 S2 BME B3140 1555 1555 1.93 LINK O4 BGC C 1 C1 GAL C 2 1555 1555 1.41 LINK O4 BGC D 1 C1 GAL D 2 1555 1555 1.41 CRYST1 36.712 88.199 93.683 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 0.027239 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011338 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010674 0.00000 MTRIX1 1 -0.376390 -0.361370 -0.853070 66.42253 1 MTRIX2 1 -0.370680 -0.785140 0.496140 67.96960 1 MTRIX3 1 -0.849070 0.502960 0.161570 18.94398 1 ATOM 1 N ALA A1001 1.314 41.735 29.951 1.00 44.07 N ATOM 2 CA ALA A1001 2.170 40.686 30.579 1.00 43.70 C ATOM 3 C ALA A1001 3.196 41.309 31.522 1.00 42.91 C ATOM 4 O ALA A1001 3.377 40.845 32.649 1.00 43.72 O ATOM 5 CB ALA A1001 2.877 39.874 29.491 1.00 43.69 C ATOM 6 N SER A1002 2.902 42.602 31.472 1.00 40.89 N ATOM 7 CA SER A1002 2.897 43.831 30.665 1.00 37.86 C ATOM 8 C SER A1002 4.127 43.864 29.763 1.00 34.79 C ATOM 9 O SER A1002 4.080 43.423 28.604 1.00 35.30 O ATOM 10 CB SER A1002 2.923 45.057 31.581 1.00 38.22 C ATOM 11 OG SER A1002 3.363 46.197 30.856 1.00 40.67 O ATOM 12 N GLY A1003 5.180 44.391 30.344 1.00 30.01 N ATOM 13 CA GLY A1003 6.483 44.530 29.692 1.00 23.13 C ATOM 14 C GLY A1003 7.571 44.543 30.760 1.00 18.77 C ATOM 15 O GLY A1003 7.330 44.938 31.910 1.00 16.97 O ATOM 16 N LEU A1004 8.740 44.109 30.351 1.00 17.65 N ATOM 17 CA LEU A1004 9.908 44.044 31.235 1.00 17.57 C ATOM 18 C LEU A1004 10.176 45.419 31.855 1.00 17.44 C ATOM 19 O LEU A1004 10.103 46.452 31.173 1.00 14.45 O ATOM 20 CB LEU A1004 11.140 43.609 30.442 1.00 20.18 C ATOM 21 CG LEU A1004 12.417 43.602 31.283 1.00 21.52 C ATOM 22 CD1 LEU A1004 12.372 42.590 32.430 1.00 23.61 C ATOM 23 CD2 LEU A1004 13.665 43.252 30.470 1.00 22.91 C ATOM 24 N VAL A1005 10.477 45.377 33.141 1.00 15.57 N ATOM 25 CA VAL A1005 10.780 46.577 33.938 1.00 15.57 C ATOM 26 C VAL A1005 12.078 46.361 34.715 1.00 16.40 C ATOM 27 O VAL A1005 12.176 45.453 35.555 1.00 16.72 O ATOM 28 CB VAL A1005 9.647 46.856 34.930 1.00 15.82 C ATOM 29 CG1 VAL A1005 9.934 48.051 35.843 1.00 17.24 C ATOM 30 CG2 VAL A1005 8.315 47.168 34.246 1.00 16.21 C ATOM 31 N ALA A1006 13.041 47.208 34.409 1.00 15.93 N ATOM 32 CA ALA A1006 14.368 47.162 35.038 1.00 16.11 C ATOM 33 C ALA A1006 14.678 48.487 35.735 1.00 17.19 C ATOM 34 O ALA A1006 14.433 49.571 35.185 1.00 17.93 O ATOM 35 CB ALA A1006 15.441 46.904 33.978 1.00 15.01 C ATOM 36 N SER A1007 15.211 48.341 36.933 1.00 17.05 N ATOM 37 CA SER A1007 15.601 49.472 37.786 1.00 19.20 C ATOM 38 C SER A1007 17.040 49.274 38.269 1.00 19.59 C ATOM 39 O SER A1007 17.602 48.174 38.164 1.00 17.66 O ATOM 40 CB SER A1007 14.670 49.562 38.999 1.00 21.33 C ATOM 41 OG SER A1007 14.704 48.346 39.732 1.00 28.68 O ATOM 42 N ASN A1008 17.593 50.355 38.784 1.00 20.97 N ATOM 43 CA ASN A1008 18.969 50.374 39.302 1.00 22.43 C ATOM 44 C ASN A1008 19.964 50.200 38.152 1.00 22.63 C ATOM 45 O ASN A1008 21.044 49.616 38.324 1.00 22.38 O ATOM 46 CB ASN A1008 19.168 49.236 40.305 1.00 25.64 C ATOM 47 CG ASN A1008 18.419 49.460 41.619 1.00 28.26 C ATOM 48 OD1 ASN A1008 18.437 48.594 42.493 1.00 31.33 O ATOM 49 ND2 ASN A1008 17.754 50.583 41.816 1.00 29.35 N ATOM 50 N LEU A1009 19.585 50.684 36.988 1.00 21.84 N ATOM 51 CA LEU A1009 20.431 50.565 35.803 1.00 23.08 C ATOM 52 C LEU A1009 21.722 51.365 35.902 1.00 24.30 C ATOM 53 O LEU A1009 22.770 50.928 35.427 1.00 25.08 O ATOM 54 CB LEU A1009 19.670 51.011 34.553 1.00 22.70 C ATOM 55 CG LEU A1009 18.631 50.045 33.983 1.00 24.00 C ATOM 56 CD1 LEU A1009 17.559 49.757 35.014 1.00 25.97 C ATOM 57 CD2 LEU A1009 18.020 50.650 32.729 1.00 24.25 C ATOM 58 N ASN A1010 21.639 52.538 36.517 1.00 24.63 N ATOM 59 CA ASN A1010 22.796 53.409 36.663 1.00 26.09 C ATOM 60 C ASN A1010 23.539 53.567 35.335 1.00 25.32 C ATOM 61 O ASN A1010 24.763 53.449 35.275 1.00 25.47 O ATOM 62 CB ASN A1010 23.743 52.858 37.733 1.00 27.63 C ATOM 63 CG ASN A1010 24.878 53.813 38.047 1.00 29.97 C ATOM 64 OD1 ASN A1010 24.650 54.987 38.338 1.00 30.45 O ATOM 65 ND2 ASN A1010 26.107 53.314 37.992 1.00 30.48 N ATOM 66 N LEU A1011 22.786 53.822 34.270 1.00 24.75 N ATOM 67 CA LEU A1011 23.368 54.016 32.946 1.00 24.14 C ATOM 68 C LEU A1011 23.905 55.444 32.899 1.00 24.04 C ATOM 69 O LEU A1011 23.143 56.407 32.994 1.00 23.58 O ATOM 70 CB LEU A1011 22.303 53.822 31.866 1.00 25.42 C ATOM 71 CG LEU A1011 22.786 53.847 30.415 1.00 26.92 C ATOM 72 CD1 LEU A1011 23.635 52.614 30.138 1.00 28.63 C ATOM 73 CD2 LEU A1011 21.587 53.880 29.482 1.00 27.59 C ATOM 74 N LYS A1012 25.218 55.574 32.751 1.00 23.31 N ATOM 75 CA LYS A1012 25.860 56.881 32.724 1.00 24.70 C ATOM 76 C LYS A1012 25.982 57.500 31.335 1.00 23.69 C ATOM 77 O LYS A1012 25.828 56.819 30.322 1.00 21.95 O ATOM 78 CB LYS A1012 27.248 56.776 33.364 1.00 26.91 C ATOM 79 CG LYS A1012 27.384 57.523 34.683 1.00 31.82 C ATOM 80 CD LYS A1012 26.382 57.039 35.723 1.00 32.33 C ATOM 81 CE LYS A1012 26.505 57.838 37.018 1.00 34.81 C ATOM 82 NZ LYS A1012 25.513 57.419 38.049 1.00 33.13 N ATOM 83 N PRO A1013 26.254 58.816 31.275 1.00 24.25 N ATOM 84 CA PRO A1013 26.399 59.519 29.999 1.00 24.51 C ATOM 85 C PRO A1013 27.454 58.856 29.124 1.00 24.19 C ATOM 86 O PRO A1013 28.528 58.496 29.603 1.00 24.81 O ATOM 87 CB PRO A1013 26.807 60.922 30.431 1.00 25.02 C ATOM 88 CG PRO A1013 26.053 61.094 31.700 1.00 24.58 C ATOM 89 CD PRO A1013 26.297 59.772 32.396 1.00 24.68 C ATOM 90 N GLY A1014 27.143 58.693 27.842 1.00 23.56 N ATOM 91 CA GLY A1014 28.080 58.067 26.930 1.00 23.34 C ATOM 92 C GLY A1014 27.834 56.579 26.791 1.00 23.62 C ATOM 93 O GLY A1014 28.386 55.934 25.902 1.00 23.60 O ATOM 94 N GLU A1015 27.004 56.028 27.672 1.00 22.71 N ATOM 95 CA GLU A1015 26.696 54.605 27.629 1.00 23.58 C ATOM 96 C GLU A1015 25.483 54.327 26.746 1.00 22.91 C ATOM 97 O GLU A1015 24.557 55.137 26.669 1.00 22.00 O ATOM 98 CB GLU A1015 26.469 54.076 29.046 1.00 25.90 C ATOM 99 CG GLU A1015 27.697 54.229 29.932 1.00 29.69 C ATOM 100 CD GLU A1015 27.558 53.539 31.273 1.00 33.50 C ATOM 101 OE1 GLU A1015 28.535 53.564 32.049 1.00 35.14 O ATOM 102 OE2 GLU A1015 26.481 52.974 31.552 1.00 37.12 O HETATM 103 N CSO A1016 25.498 53.176 26.084 1.00 23.00 N HETATM 104 CA CSO A1016 24.423 52.804 25.173 1.00 22.50 C HETATM 105 CB CSO A1016 25.008 52.464 23.802 1.00 24.89 C HETATM 106 SG CSO A1016 23.789 52.199 22.489 1.00 30.68 S HETATM 107 C CSO A1016 23.609 51.610 25.673 1.00 20.62 C HETATM 108 O CSO A1016 24.144 50.662 26.248 1.00 19.61 O HETATM 109 OD CSO A1016 23.957 50.593 22.273 1.00 23.93 O ATOM 110 N LEU A1017 22.305 51.681 25.440 1.00 18.10 N ATOM 111 CA LEU A1017 21.376 50.630 25.823 1.00 15.99 C ATOM 112 C LEU A1017 20.841 50.024 24.533 1.00 15.39 C ATOM 113 O LEU A1017 20.282 50.732 23.698 1.00 13.71 O ATOM 114 CB LEU A1017 20.219 51.225 26.625 1.00 18.01 C ATOM 115 CG LEU A1017 19.064 50.292 26.982 1.00 19.35 C ATOM 116 CD1 LEU A1017 19.550 49.210 27.933 1.00 21.78 C ATOM 117 CD2 LEU A1017 17.952 51.101 27.624 1.00 22.73 C ATOM 118 N ARG A1018 21.025 48.719 24.366 1.00 13.82 N ATOM 119 CA ARG A1018 20.551 48.034 23.170 1.00 13.99 C ATOM 120 C ARG A1018 19.348 47.178 23.552 1.00 13.90 C ATOM 121 O ARG A1018 19.422 46.362 24.473 1.00 12.49 O ATOM 122 CB ARG A1018 21.667 47.157 22.597 1.00 17.15 C ATOM 123 CG ARG A1018 21.358 46.531 21.247 1.00 22.93 C ATOM 124 CD ARG A1018 22.489 45.608 20.816 1.00 26.46 C ATOM 125 NE ARG A1018 23.753 46.320 20.652 1.00 30.40 N ATOM 126 CZ ARG A1018 24.110 46.978 19.552 1.00 32.13 C ATOM 127 NH1 ARG A1018 25.281 47.599 19.500 1.00 33.50 N ATOM 128 NH2 ARG A1018 23.307 47.003 18.497 1.00 32.86 N ATOM 129 N VAL A1019 18.235 47.376 22.854 1.00 12.25 N ATOM 130 CA VAL A1019 17.024 46.622 23.139 1.00 12.51 C ATOM 131 C VAL A1019 16.517 45.941 21.876 1.00 13.91 C ATOM 132 O VAL A1019 16.238 46.598 20.878 1.00 11.92 O ATOM 133 CB VAL A1019 15.918 47.550 23.699 1.00 12.24 C ATOM 134 CG1 VAL A1019 14.688 46.735 24.069 1.00 14.18 C ATOM 135 CG2 VAL A1019 16.439 48.306 24.913 1.00 13.15 C ATOM 136 N ARG A1020 16.417 44.615 21.923 1.00 13.36 N ATOM 137 CA ARG A1020 15.933 43.843 20.788 1.00 14.68 C ATOM 138 C ARG A1020 14.653 43.144 21.209 1.00 15.39 C ATOM 139 O ARG A1020 14.577 42.581 22.301 1.00 14.72 O ATOM 140 CB ARG A1020 16.974 42.805 20.365 1.00 18.20 C ATOM 141 CG ARG A1020 16.582 41.984 19.145 1.00 22.14 C ATOM 142 CD ARG A1020 17.668 40.975 18.810 1.00 26.75 C ATOM 143 NE ARG A1020 18.963 41.625 18.634 1.00 31.48 N ATOM 144 CZ ARG A1020 20.104 40.977 18.420 1.00 33.16 C ATOM 145 NH1 ARG A1020 20.115 39.652 18.354 1.00 34.41 N ATOM 146 NH2 ARG A1020 21.235 41.655 18.273 1.00 34.55 N ATOM 147 N GLY A1021 13.643 43.190 20.349 1.00 14.77 N ATOM 148 CA GLY A1021 12.383 42.551 20.677 1.00 15.33 C ATOM 149 C GLY A1021 11.572 42.194 19.449 1.00 16.78 C ATOM 150 O GLY A1021 11.916 42.573 18.330 1.00 16.03 O ATOM 151 N GLU A1022 10.487 41.460 19.666 1.00 17.24 N ATOM 152 CA GLU A1022 9.617 41.042 18.578 1.00 19.06 C ATOM 153 C GLU A1022 8.375 41.919 18.521 1.00 18.74 C ATOM 154 O GLU A1022 7.664 42.066 19.516 1.00 18.05 O ATOM 155 CB GLU A1022 9.206 39.576 18.770 1.00 21.74 C ATOM 156 CG GLU A1022 10.360 38.593 18.647 1.00 26.03 C ATOM 157 CD GLU A1022 9.967 37.167 19.000 1.00 29.68 C ATOM 158 OE1 GLU A1022 10.785 36.252 18.759 1.00 31.39 O ATOM 159 OE2 GLU A1022 8.849 36.963 19.524 1.00 31.81 O ATOM 160 N VAL A1023 8.126 42.520 17.363 1.00 19.36 N ATOM 161 CA VAL A1023 6.945 43.357 17.201 1.00 19.16 C ATOM 162 C VAL A1023 5.789 42.413 16.893 1.00 19.25 C ATOM 163 O VAL A1023 5.877 41.599 15.974 1.00 20.32 O ATOM 164 CB VAL A1023 7.099 44.351 16.030 1.00 19.02 C ATOM 165 CG1 VAL A1023 5.865 45.231 15.939 1.00 19.57 C ATOM 166 CG2 VAL A1023 8.345 45.203 16.224 1.00 19.07 C ATOM 167 N ALA A1024 4.717 42.513 17.670 1.00 20.77 N ATOM 168 CA ALA A1024 3.551 41.659 17.475 1.00 22.02 C ATOM 169 C ALA A1024 3.067 41.729 16.030 1.00 23.52 C ATOM 170 O ALA A1024 3.135 42.777 15.389 1.00 21.40 O ATOM 171 CB ALA A1024 2.434 42.074 18.427 1.00 21.48 C ATOM 172 N PRO A1025 2.574 40.604 15.494 1.00 25.42 N ATOM 173 CA PRO A1025 2.084 40.571 14.113 1.00 27.49 C ATOM 174 C PRO A1025 0.883 41.491 13.894 1.00 28.24 C ATOM 175 O PRO A1025 0.563 41.850 12.760 1.00 29.68 O ATOM 176 CB PRO A1025 1.741 39.097 13.907 1.00 28.22 C ATOM 177 CG PRO A1025 1.340 38.653 15.282 1.00 28.09 C ATOM 178 CD PRO A1025 2.399 39.294 16.145 1.00 26.94 C ATOM 179 N ASP A1026 0.229 41.870 14.987 1.00 28.55 N ATOM 180 CA ASP A1026 -0.937 42.746 14.928 1.00 29.92 C ATOM 181 C ASP A1026 -0.673 43.998 15.756 1.00 28.10 C ATOM 182 O ASP A1026 -1.604 44.658 16.222 1.00 28.10 O ATOM 183 CB ASP A1026 -2.158 42.022 15.491 1.00 33.79 C ATOM 184 CG ASP A1026 -1.985 41.650 16.953 1.00 37.07 C ATOM 185 OD1 ASP A1026 -1.015 40.930 17.272 1.00 38.62 O ATOM 186 OD2 ASP A1026 -2.814 42.083 17.782 1.00 39.49 O ATOM 187 N ALA A1027 0.604 44.317 15.934 1.00 26.22 N ATOM 188 CA ALA A1027 1.010 45.473 16.723 1.00 23.76 C ATOM 189 C ALA A1027 0.287 46.760 16.350 1.00 22.54 C ATOM 190 O ALA A1027 0.082 47.057 15.174 1.00 22.55 O ATOM 191 CB ALA A1027 2.514 45.677 16.600 1.00 22.34 C ATOM 192 N LYS A1028 -0.096 47.517 17.371 1.00 20.36 N ATOM 193 CA LYS A1028 -0.770 48.793 17.190 1.00 20.43 C ATOM 194 C LYS A1028 0.149 49.882 17.726 1.00 18.59 C ATOM 195 O LYS A1028 0.157 51.014 17.241 1.00 16.81 O ATOM 196 CB LYS A1028 -2.088 48.810 17.966 1.00 23.06 C ATOM 197 CG LYS A1028 -3.137 47.846 17.434 1.00 26.16 C ATOM 198 CD LYS A1028 -3.557 48.223 16.018 1.00 30.26 C ATOM 199 CE LYS A1028 -4.622 47.276 15.490 1.00 32.75 C ATOM 200 NZ LYS A1028 -5.823 47.262 16.372 1.00 33.82 N ATOM 201 N SER A1029 0.936 49.515 18.729 1.00 17.99 N ATOM 202 CA SER A1029 1.854 50.445 19.364 1.00 17.55 C ATOM 203 C SER A1029 2.648 49.744 20.455 1.00 17.05 C ATOM 204 O SER A1029 2.176 48.780 21.050 1.00 17.37 O ATOM 205 CB SER A1029 1.061 51.598 19.987 1.00 20.44 C ATOM 206 OG SER A1029 1.793 52.249 21.005 1.00 22.25 O ATOM 207 N PHE A1030 3.868 50.210 20.693 1.00 14.30 N ATOM 208 CA PHE A1030 4.679 49.657 21.764 1.00 12.32 C ATOM 209 C PHE A1030 5.503 50.798 22.322 1.00 12.42 C ATOM 210 O PHE A1030 5.693 51.827 21.662 1.00 11.03 O ATOM 211 CB PHE A1030 5.535 48.464 21.293 1.00 12.18 C ATOM 212 CG PHE A1030 6.784 48.828 20.535 1.00 12.45 C ATOM 213 CD1 PHE A1030 7.943 49.204 21.207 1.00 13.20 C ATOM 214 CD2 PHE A1030 6.827 48.706 19.150 1.00 13.14 C ATOM 215 CE1 PHE A1030 9.129 49.443 20.510 1.00 13.43 C ATOM 216 CE2 PHE A1030 8.007 48.944 18.444 1.00 13.48 C ATOM 217 CZ PHE A1030 9.160 49.311 19.127 1.00 12.66 C ATOM 218 N VAL A1031 5.962 50.634 23.554 1.00 10.44 N ATOM 219 CA VAL A1031 6.711 51.684 24.211 1.00 10.90 C ATOM 220 C VAL A1031 7.939 51.181 24.943 1.00 9.76 C ATOM 221 O VAL A1031 7.975 50.054 25.432 1.00 11.43 O ATOM 222 CB VAL A1031 5.815 52.419 25.249 1.00 11.05 C ATOM 223 CG1 VAL A1031 6.643 53.407 26.063 1.00 11.14 C ATOM 224 CG2 VAL A1031 4.673 53.139 24.545 1.00 12.13 C ATOM 225 N LEU A1032 8.947 52.040 24.985 1.00 9.87 N ATOM 226 CA LEU A1032 10.178 51.786 25.715 1.00 10.41 C ATOM 227 C LEU A1032 10.341 53.079 26.502 1.00 10.30 C ATOM 228 O LEU A1032 10.486 54.150 25.914 1.00 8.70 O ATOM 229 CB LEU A1032 11.373 51.591 24.774 1.00 12.04 C ATOM 230 CG LEU A1032 11.418 50.308 23.936 1.00 13.82 C ATOM 231 CD1 LEU A1032 12.690 50.288 23.105 1.00 15.65 C ATOM 232 CD2 LEU A1032 11.366 49.090 24.850 1.00 14.86 C ATOM 233 N ASN A1033 10.265 52.983 27.825 1.00 10.82 N ATOM 234 CA ASN A1033 10.414 54.151 28.681 1.00 11.53 C ATOM 235 C ASN A1033 11.742 54.093 29.417 1.00 11.55 C ATOM 236 O ASN A1033 12.140 53.041 29.921 1.00 13.10 O ATOM 237 CB ASN A1033 9.275 54.237 29.705 1.00 11.87 C ATOM 238 CG ASN A1033 7.951 54.618 29.078 1.00 13.97 C ATOM 239 OD1 ASN A1033 7.901 55.450 28.170 1.00 14.30 O ATOM 240 ND2 ASN A1033 6.867 54.027 29.571 1.00 11.74 N ATOM 241 N LEU A1034 12.422 55.232 29.469 1.00 10.50 N ATOM 242 CA LEU A1034 13.706 55.342 30.146 1.00 11.60 C ATOM 243 C LEU A1034 13.686 56.593 31.012 1.00 12.52 C ATOM 244 O LEU A1034 13.131 57.617 30.615 1.00 11.38 O ATOM 245 CB LEU A1034 14.839 55.458 29.124 1.00 12.25 C ATOM 246 CG LEU A1034 15.048 54.291 28.159 1.00 13.38 C ATOM 247 CD1 LEU A1034 16.186 54.626 27.199 1.00 16.14 C ATOM 248 CD2 LEU A1034 15.370 53.031 28.947 1.00 16.15 C ATOM 249 N GLY A1035 14.291 56.517 32.192 1.00 12.83 N ATOM 250 CA GLY A1035 14.315 57.679 33.058 1.00 13.95 C ATOM 251 C GLY A1035 14.807 57.383 34.458 1.00 15.67 C ATOM 252 O GLY A1035 15.579 56.447 34.670 1.00 15.54 O ATOM 253 N LYS A1036 14.367 58.197 35.410 1.00 17.82 N ATOM 254 CA LYS A1036 14.744 58.034 36.810 1.00 19.60 C ATOM 255 C LYS A1036 13.803 57.019 37.445 1.00 19.78 C ATOM 256 O LYS A1036 14.218 56.179 38.246 1.00 20.31 O ATOM 257 CB LYS A1036 14.642 59.373 37.548 1.00 21.53 C ATOM 258 CG LYS A1036 14.895 59.267 39.046 1.00 24.79 C ATOM 259 CD LYS A1036 14.791 60.617 39.745 1.00 28.55 C ATOM 260 CE LYS A1036 15.915 61.554 39.332 1.00 30.73 C ATOM 261 NZ LYS A1036 15.883 62.830 40.109 1.00 33.72 N ATOM 262 N ASP A1037 12.530 57.117 37.082 1.00 19.40 N ATOM 263 CA ASP A1037 11.498 56.212 37.569 1.00 20.78 C ATOM 264 C ASP A1037 10.286 56.307 36.649 1.00 20.11 C ATOM 265 O ASP A1037 10.317 57.024 35.650 1.00 20.61 O ATOM 266 CB ASP A1037 11.105 56.545 39.016 1.00 21.70 C ATOM 267 CG ASP A1037 10.684 57.991 39.197 1.00 24.02 C ATOM 268 OD1 ASP A1037 9.839 58.473 38.416 1.00 20.97 O ATOM 269 OD2 ASP A1037 11.195 58.643 40.134 1.00 25.89 O ATOM 270 N SER A1038 9.221 55.592 36.989 1.00 20.39 N ATOM 271 CA SER A1038 8.017 55.574 36.169 1.00 20.01 C ATOM 272 C SER A1038 7.363 56.931 35.925 1.00 20.52 C ATOM 273 O SER A1038 6.656 57.102 34.933 1.00 20.79 O ATOM 274 CB SER A1038 6.980 54.631 36.783 1.00 21.59 C ATOM 275 OG SER A1038 6.521 55.127 38.027 1.00 22.92 O ATOM 276 N ASN A1039 7.588 57.894 36.814 1.00 19.63 N ATOM 277 CA ASN A1039 6.974 59.211 36.650 1.00 20.66 C ATOM 278 C ASN A1039 7.923 60.286 36.148 1.00 18.10 C ATOM 279 O ASN A1039 7.518 61.428 35.943 1.00 18.38 O ATOM 280 CB ASN A1039 6.348 59.670 37.968 1.00 23.17 C ATOM 281 CG ASN A1039 5.226 58.764 38.423 1.00 26.37 C ATOM 282 OD1 ASN A1039 4.265 58.534 37.689 1.00 29.19 O ATOM 283 ND2 ASN A1039 5.339 58.246 39.640 1.00 29.39 N ATOM 284 N ASN A1040 9.182 59.918 35.951 1.00 17.39 N ATOM 285 CA ASN A1040 10.191 60.855 35.478 1.00 16.14 C ATOM 286 C ASN A1040 10.996 60.189 34.370 1.00 15.13 C ATOM 287 O ASN A1040 12.003 59.522 34.624 1.00 14.23 O ATOM 288 CB ASN A1040 11.094 61.260 36.641 1.00 17.27 C ATOM 289 CG ASN A1040 10.351 62.071 37.693 1.00 19.53 C ATOM 290 OD1 ASN A1040 10.086 63.259 37.504 1.00 18.57 O ATOM 291 ND2 ASN A1040 9.997 61.425 38.798 1.00 20.09 N ATOM 292 N LEU A1041 10.541 60.384 33.137 1.00 12.93 N ATOM 293 CA LEU A1041 11.173 59.771 31.975 1.00 12.96 C ATOM 294 C LEU A1041 11.915 60.748 31.083 1.00 12.48 C ATOM 295 O LEU A1041 11.354 61.766 30.667 1.00 12.23 O ATOM 296 CB LEU A1041 10.110 59.062 31.134 1.00 12.89 C ATOM 297 CG LEU A1041 9.158 58.117 31.866 1.00 13.31 C ATOM 298 CD1 LEU A1041 8.078 57.647 30.908 1.00 12.12 C ATOM 299 CD2 LEU A1041 9.934 56.930 32.425 1.00 13.45 C ATOM 300 N CYS A1042 13.174 60.438 30.784 1.00 10.98 N ATOM 301 CA CYS A1042 13.949 61.283 29.893 1.00 12.43 C ATOM 302 C CYS A1042 13.579 60.871 28.471 1.00 13.14 C ATOM 303 O CYS A1042 13.770 61.631 27.520 1.00 12.42 O ATOM 304 CB CYS A1042 15.453 61.116 30.135 1.00 14.04 C ATOM 305 SG CYS A1042 16.086 59.422 30.083 1.00 13.88 S ATOM 306 N LEU A1043 13.033 59.665 28.330 1.00 11.04 N ATOM 307 CA LEU A1043 12.623 59.192 27.014 1.00 10.56 C ATOM 308 C LEU A1043 11.463 58.202 26.998 1.00 11.48 C ATOM 309 O LEU A1043 11.554 57.092 27.523 1.00 10.79 O ATOM 310 CB LEU A1043 13.807 58.572 26.265 1.00 11.79 C ATOM 311 CG LEU A1043 13.466 58.089 24.847 1.00 11.20 C ATOM 312 CD1 LEU A1043 13.029 59.279 23.999 1.00 14.23 C ATOM 313 CD2 LEU A1043 14.664 57.395 24.221 1.00 11.47 C ATOM 314 N HIS A1044 10.364 58.634 26.393 1.00 9.49 N ATOM 315 CA HIS A1044 9.186 57.801 26.213 1.00 10.56 C ATOM 316 C HIS A1044 9.261 57.571 24.705 1.00 10.26 C ATOM 317 O HIS A1044 8.926 58.461 23.928 1.00 11.18 O ATOM 318 CB HIS A1044 7.915 58.578 26.580 1.00 10.38 C ATOM 319 CG HIS A1044 6.644 57.916 26.142 1.00 11.33 C ATOM 320 ND1 HIS A1044 6.177 56.746 26.703 1.00 12.35 N ATOM 321 CD2 HIS A1044 5.739 58.265 25.197 1.00 11.47 C ATOM 322 CE1 HIS A1044 5.040 56.404 26.123 1.00 13.45 C ATOM 323 NE2 HIS A1044 4.752 57.309 25.205 1.00 13.95 N ATOM 324 N PHE A1045 9.751 56.398 24.312 1.00 10.01 N ATOM 325 CA PHE A1045 9.915 56.022 22.905 1.00 10.50 C ATOM 326 C PHE A1045 8.672 55.241 22.496 1.00 11.21 C ATOM 327 O PHE A1045 8.498 54.087 22.887 1.00 9.15 O ATOM 328 CB PHE A1045 11.175 55.163 22.759 1.00 9.73 C ATOM 329 CG PHE A1045 11.436 54.698 21.359 1.00 8.08 C ATOM 330 CD1 PHE A1045 11.841 55.595 20.377 1.00 8.58 C ATOM 331 CD2 PHE A1045 11.279 53.360 21.022 1.00 6.99 C ATOM 332 CE1 PHE A1045 12.086 55.164 19.075 1.00 9.53 C ATOM 333 CE2 PHE A1045 11.518 52.917 19.725 1.00 8.73 C ATOM 334 CZ PHE A1045 11.924 53.819 18.749 1.00 8.52 C ATOM 335 N ASN A1046 7.826 55.861 21.680 1.00 9.89 N ATOM 336 CA ASN A1046 6.554 55.253 21.309 1.00 10.13 C ATOM 337 C ASN A1046 6.235 55.078 19.823 1.00 9.79 C ATOM 338 O ASN A1046 5.616 55.948 19.210 1.00 9.57 O ATOM 339 CB ASN A1046 5.451 56.084 21.980 1.00 10.53 C ATOM 340 CG ASN A1046 4.054 55.521 21.781 1.00 11.18 C ATOM 341 OD1 ASN A1046 3.072 56.226 22.014 1.00 12.66 O ATOM 342 ND2 ASN A1046 3.954 54.260 21.372 1.00 11.42 N ATOM 343 N PRO A1047 6.683 53.965 19.218 1.00 10.80 N ATOM 344 CA PRO A1047 6.386 53.739 17.801 1.00 11.20 C ATOM 345 C PRO A1047 4.900 53.391 17.707 1.00 13.08 C ATOM 346 O PRO A1047 4.450 52.401 18.289 1.00 11.47 O ATOM 347 CB PRO A1047 7.265 52.544 17.450 1.00 13.21 C ATOM 348 CG PRO A1047 8.453 52.745 18.332 1.00 10.48 C ATOM 349 CD PRO A1047 7.802 53.110 19.651 1.00 9.24 C ATOM 350 N ARG A1048 4.140 54.210 16.989 1.00 11.58 N ATOM 351 CA ARG A1048 2.714 53.971 16.844 1.00 12.62 C ATOM 352 C ARG A1048 2.374 53.506 15.438 1.00 13.03 C ATOM 353 O ARG A1048 2.512 54.260 14.475 1.00 12.39 O ATOM 354 CB ARG A1048 1.934 55.248 17.155 1.00 11.88 C ATOM 355 CG ARG A1048 2.093 55.735 18.578 1.00 11.64 C ATOM 356 CD ARG A1048 1.417 57.080 18.775 1.00 12.19 C ATOM 357 NE ARG A1048 1.567 57.561 20.144 1.00 11.54 N ATOM 358 CZ ARG A1048 1.151 58.748 20.572 1.00 12.34 C ATOM 359 NH1 ARG A1048 0.557 59.586 19.733 1.00 12.23 N ATOM 360 NH2 ARG A1048 1.326 59.097 21.841 1.00 12.94 N ATOM 361 N PHE A1049 1.940 52.256 15.322 1.00 13.07 N ATOM 362 CA PHE A1049 1.560 51.714 14.027 1.00 14.03 C ATOM 363 C PHE A1049 0.190 52.298 13.702 1.00 14.59 C ATOM 364 O PHE A1049 -0.061 52.757 12.591 1.00 15.03 O ATOM 365 CB PHE A1049 1.493 50.186 14.089 1.00 13.54 C ATOM 366 CG PHE A1049 2.795 49.539 14.478 1.00 13.51 C ATOM 367 CD1 PHE A1049 3.194 49.496 15.810 1.00 15.22 C ATOM 368 CD2 PHE A1049 3.640 49.007 13.507 1.00 14.98 C ATOM 369 CE1 PHE A1049 4.417 48.936 16.172 1.00 14.88 C ATOM 370 CE2 PHE A1049 4.868 48.444 13.855 1.00 13.97 C ATOM 371 CZ PHE A1049 5.257 48.409 15.191 1.00 15.72 C ATOM 372 N ASN A1050 -0.688 52.285 14.699 1.00 17.33 N ATOM 373 CA ASN A1050 -2.033 52.823 14.558 1.00 17.60 C ATOM 374 C ASN A1050 -2.593 53.152 15.938 1.00 18.26 C ATOM 375 O ASN A1050 -3.236 52.313 16.572 1.00 16.44 O ATOM 376 CB ASN A1050 -2.938 51.813 13.850 1.00 20.29 C ATOM 377 CG ASN A1050 -4.386 52.257 13.816 1.00 22.72 C ATOM 378 OD1 ASN A1050 -4.686 53.408 13.504 1.00 24.48 O ATOM 379 ND2 ASN A1050 -5.294 51.341 14.135 1.00 25.53 N ATOM 380 N ALA A1051 -2.346 54.376 16.398 1.00 18.69 N ATOM 381 CA ALA A1051 -2.817 54.800 17.710 1.00 20.20 C ATOM 382 C ALA A1051 -2.810 56.313 17.885 1.00 21.29 C ATOM 383 O ALA A1051 -1.906 57.004 17.410 1.00 20.80 O ATOM 384 CB ALA A1051 -1.965 54.153 18.795 1.00 20.57 C ATOM 385 N HIS A1052 -3.830 56.819 18.572 1.00 22.54 N ATOM 386 CA HIS A1052 -3.956 58.246 18.851 1.00 23.76 C ATOM 387 C HIS A1052 -3.945 59.137 17.618 1.00 23.94 C ATOM 388 O HIS A1052 -3.554 60.302 17.693 1.00 25.75 O ATOM 389 CB HIS A1052 -2.840 58.680 19.799 1.00 26.19 C ATOM 390 CG HIS A1052 -2.838 57.937 21.097 1.00 27.49 C ATOM 391 ND1 HIS A1052 -3.874 58.021 22.002 1.00 29.23 N ATOM 392 CD2 HIS A1052 -1.943 57.070 21.627 1.00 28.08 C ATOM 393 CE1 HIS A1052 -3.618 57.236 23.034 1.00 29.16 C ATOM 394 NE2 HIS A1052 -2.453 56.648 22.831 1.00 29.78 N ATOM 395 N GLY A1053 -4.378 58.598 16.485 1.00 22.68 N ATOM 396 CA GLY A1053 -4.407 59.389 15.269 1.00 22.10 C ATOM 397 C GLY A1053 -3.121 59.300 14.471 1.00 20.65 C ATOM 398 O GLY A1053 -3.014 59.874 13.387 1.00 21.63 O ATOM 399 N ASP A1054 -2.138 58.586 15.008 1.00 18.01 N ATOM 400 CA ASP A1054 -0.864 58.417 14.321 1.00 16.54 C ATOM 401 C ASP A1054 -0.827 57.091 13.573 1.00 15.84 C ATOM 402 O ASP A1054 -1.240 56.058 14.102 1.00 16.05 O ATOM 403 CB ASP A1054 0.300 58.453 15.319 1.00 17.11 C ATOM 404 CG ASP A1054 0.544 59.835 15.887 1.00 18.56 C ATOM 405 OD1 ASP A1054 0.871 60.755 15.107 1.00 18.14 O ATOM 406 OD2 ASP A1054 0.411 60.000 17.116 1.00 19.63 O ATOM 407 N ALA A1055 -0.329 57.127 12.341 1.00 14.06 N ATOM 408 CA ALA A1055 -0.203 55.926 11.524 1.00 14.14 C ATOM 409 C ALA A1055 1.274 55.785 11.182 1.00 12.58 C ATOM 410 O ALA A1055 1.830 56.615 10.460 1.00 11.54 O ATOM 411 CB ALA A1055 -1.031 56.059 10.247 1.00 14.08 C ATOM 412 N ASN A1056 1.911 54.741 11.707 1.00 12.82 N ATOM 413 CA ASN A1056 3.334 54.524 11.466 1.00 10.88 C ATOM 414 C ASN A1056 4.101 55.799 11.768 1.00 11.68 C ATOM 415 O ASN A1056 4.705 56.419 10.885 1.00 9.94 O ATOM 416 CB ASN A1056 3.572 54.087 10.025 1.00 11.42 C ATOM 417 CG ASN A1056 3.164 52.654 9.791 1.00 11.38 C ATOM 418 OD1 ASN A1056 2.485 52.051 10.625 1.00 11.95 O ATOM 419 ND2 ASN A1056 3.570 52.096 8.657 1.00 12.06 N ATOM 420 N THR A1057 4.067 56.175 13.039 1.00 11.61 N ATOM 421 CA THR A1057 4.735 57.371 13.512 1.00 10.50 C ATOM 422 C THR A1057 5.446 57.092 14.825 1.00 10.72 C ATOM 423 O THR A1057 4.850 56.549 15.759 1.00 10.05 O ATOM 424 CB THR A1057 3.728 58.511 13.784 1.00 11.29 C ATOM 425 OG1 THR A1057 2.934 58.746 12.617 1.00 11.77 O ATOM 426 CG2 THR A1057 4.469 59.792 14.167 1.00 13.22 C ATOM 427 N ILE A1058 6.720 57.460 14.892 1.00 9.36 N ATOM 428 CA ILE A1058 7.480 57.296 16.121 1.00 8.27 C ATOM 429 C ILE A1058 7.239 58.574 16.914 1.00 9.22 C ATOM 430 O ILE A1058 7.577 59.665 16.455 1.00 9.06 O ATOM 431 CB ILE A1058 8.994 57.170 15.854 1.00 9.70 C ATOM 432 CG1 ILE A1058 9.285 55.886 15.071 1.00 9.34 C ATOM 433 CG2 ILE A1058 9.756 57.180 17.179 1.00 9.88 C ATOM 434 CD1 ILE A1058 10.744 55.723 14.667 1.00 8.19 C ATOM 435 N VAL A1059 6.636 58.441 18.088 1.00 8.68 N ATOM 436 CA VAL A1059 6.371 59.591 18.940 1.00 10.34 C ATOM 437 C VAL A1059 7.249 59.484 20.174 1.00 8.86 C ATOM 438 O VAL A1059 7.282 58.442 20.828 1.00 9.65 O ATOM 439 CB VAL A1059 4.899 59.640 19.399 1.00 10.34 C ATOM 440 CG1 VAL A1059 4.682 60.840 20.320 1.00 12.01 C ATOM 441 CG2 VAL A1059 3.977 59.725 18.193 1.00 10.76 C ATOM 442 N CYS A1060 7.979 60.553 20.474 1.00 10.83 N ATOM 443 CA CYS A1060 8.835 60.570 21.651 1.00 10.34 C ATOM 444 C CYS A1060 8.431 61.714 22.550 1.00 11.68 C ATOM 445 O CYS A1060 7.932 62.743 22.092 1.00 12.58 O ATOM 446 CB CYS A1060 10.307 60.732 21.268 1.00 12.54 C ATOM 447 SG CYS A1060 11.041 59.275 20.507 1.00 13.50 S ATOM 448 N ASN A1061 8.632 61.530 23.844 1.00 11.62 N ATOM 449 CA ASN A1061 8.298 62.580 24.778 1.00 11.03 C ATOM 450 C ASN A1061 9.026 62.347 26.080 1.00 11.57 C ATOM 451 O ASN A1061 9.648 61.303 26.290 1.00 11.26 O ATOM 452 CB ASN A1061 6.788 62.623 25.031 1.00 12.06 C ATOM 453 CG ASN A1061 6.314 63.995 25.482 1.00 11.56 C ATOM 454 OD1 ASN A1061 7.122 64.864 25.802 1.00 11.63 O ATOM 455 ND2 ASN A1061 5.001 64.195 25.509 1.00 12.46 N ATOM 456 N SER A1062 8.959 63.348 26.944 1.00 12.07 N ATOM 457 CA SER A1062 9.573 63.277 28.248 1.00 12.40 C ATOM 458 C SER A1062 8.403 63.329 29.216 1.00 13.93 C ATOM 459 O SER A1062 7.279 63.665 28.831 1.00 13.36 O ATOM 460 CB SER A1062 10.491 64.478 28.472 1.00 13.47 C ATOM 461 OG SER A1062 9.774 65.693 28.325 1.00 12.90 O ATOM 462 N LYS A1063 8.662 62.979 30.465 1.00 14.14 N ATOM 463 CA LYS A1063 7.627 63.008 31.479 1.00 16.91 C ATOM 464 C LYS A1063 8.300 63.528 32.730 1.00 17.01 C ATOM 465 O LYS A1063 9.211 62.898 33.262 1.00 16.23 O ATOM 466 CB LYS A1063 7.066 61.607 31.713 1.00 16.51 C ATOM 467 CG LYS A1063 5.735 61.596 32.439 1.00 18.84 C ATOM 468 CD LYS A1063 5.110 60.216 32.376 1.00 20.68 C ATOM 469 CE LYS A1063 3.639 60.256 32.726 1.00 20.10 C ATOM 470 NZ LYS A1063 3.018 58.918 32.547 1.00 23.68 N ATOM 471 N ASP A1064 7.859 64.696 33.180 1.00 20.17 N ATOM 472 CA ASP A1064 8.429 65.325 34.357 1.00 21.53 C ATOM 473 C ASP A1064 7.418 65.297 35.494 1.00 22.07 C ATOM 474 O ASP A1064 6.368 65.934 35.417 1.00 20.69 O ATOM 475 CB ASP A1064 8.801 66.775 34.037 1.00 24.25 C ATOM 476 CG ASP A1064 9.694 67.391 35.089 1.00 26.29 C ATOM 477 OD1 ASP A1064 9.511 67.076 36.282 1.00 26.93 O ATOM 478 OD2 ASP A1064 10.573 68.202 34.725 1.00 27.91 O ATOM 479 N ASP A1065 7.736 64.553 36.545 1.00 22.65 N ATOM 480 CA ASP A1065 6.853 64.452 37.699 1.00 24.13 C ATOM 481 C ASP A1065 5.439 64.069 37.268 1.00 23.87 C ATOM 482 O ASP A1065 4.458 64.596 37.795 1.00 24.68 O ATOM 483 CB ASP A1065 6.811 65.788 38.445 1.00 27.28 C ATOM 484 CG ASP A1065 6.365 65.637 39.890 1.00 30.35 C ATOM 485 OD1 ASP A1065 5.466 64.814 40.160 1.00 30.78 O ATOM 486 OD2 ASP A1065 6.912 66.354 40.754 1.00 32.95 O ATOM 487 N GLY A1066 5.343 63.167 36.295 1.00 21.11 N ATOM 488 CA GLY A1066 4.047 62.717 35.817 1.00 20.27 C ATOM 489 C GLY A1066 3.430 63.516 34.680 1.00 19.05 C ATOM 490 O GLY A1066 2.430 63.096 34.096 1.00 18.88 O ATOM 491 N ALA A1067 4.020 64.661 34.353 1.00 19.36 N ATOM 492 CA ALA A1067 3.490 65.504 33.286 1.00 19.56 C ATOM 493 C ALA A1067 4.195 65.281 31.953 1.00 18.57 C ATOM 494 O ALA A1067 5.417 65.387 31.864 1.00 19.01 O ATOM 495 CB ALA A1067 3.596 66.971 33.684 1.00 20.11 C ATOM 496 N TRP A1068 3.418 64.975 30.918 1.00 17.67 N ATOM 497 CA TRP A1068 3.977 64.755 29.587 1.00 17.25 C ATOM 498 C TRP A1068 4.540 66.061 29.044 1.00 17.18 C ATOM 499 O TRP A1068 3.958 67.129 29.242 1.00 18.40 O ATOM 500 CB TRP A1068 2.903 64.236 28.625 1.00 16.76 C ATOM 501 CG TRP A1068 2.520 62.802 28.834 1.00 16.73 C ATOM 502 CD1 TRP A1068 1.276 62.319 29.122 1.00 17.48 C ATOM 503 CD2 TRP A1068 3.384 61.662 28.750 1.00 15.41 C ATOM 504 NE1 TRP A1068 1.311 60.949 29.223 1.00 17.47 N ATOM 505 CE2 TRP A1068 2.593 60.519 29.001 1.00 17.08 C ATOM 506 CE3 TRP A1068 4.751 61.496 28.489 1.00 15.91 C ATOM 507 CZ2 TRP A1068 3.123 59.222 28.997 1.00 16.52 C ATOM 508 CZ3 TRP A1068 5.279 60.205 28.485 1.00 15.80 C ATOM 509 CH2 TRP A1068 4.464 59.087 28.739 1.00 14.82 C ATOM 510 N GLY A1069 5.676 65.975 28.361 1.00 16.40 N ATOM 511 CA GLY A1069 6.278 67.165 27.791 1.00 16.45 C ATOM 512 C GLY A1069 5.763 67.385 26.381 1.00 14.38 C ATOM 513 O GLY A1069 4.683 66.909 26.028 1.00 15.32 O ATOM 514 N THR A1070 6.536 68.106 25.576 1.00 15.91 N ATOM 515 CA THR A1070 6.163 68.379 24.194 1.00 15.00 C ATOM 516 C THR A1070 6.602 67.208 23.321 1.00 13.80 C ATOM 517 O THR A1070 7.784 66.862 23.280 1.00 14.15 O ATOM 518 CB THR A1070 6.838 69.663 23.688 1.00 14.99 C ATOM 519 OG1 THR A1070 6.494 70.752 24.557 1.00 18.16 O ATOM 520 CG2 THR A1070 6.382 69.983 22.268 1.00 15.21 C ATOM 521 N GLU A1071 5.648 66.601 22.624 1.00 13.00 N ATOM 522 CA GLU A1071 5.944 65.458 21.768 1.00 12.33 C ATOM 523 C GLU A1071 6.835 65.792 20.577 1.00 12.85 C ATOM 524 O GLU A1071 6.798 66.902 20.041 1.00 11.73 O ATOM 525 CB GLU A1071 4.650 64.831 21.243 1.00 12.06 C ATOM 526 CG GLU A1071 3.669 64.397 22.323 1.00 14.75 C ATOM 527 CD GLU A1071 2.456 63.685 21.751 1.00 13.75 C ATOM 528 OE1 GLU A1071 1.942 64.122 20.700 1.00 13.13 O ATOM 529 OE2 GLU A1071 2.007 62.692 22.356 1.00 17.21 O ATOM 530 N GLN A1072 7.641 64.814 20.181 1.00 10.68 N ATOM 531 CA GLN A1072 8.521 64.934 19.030 1.00 10.90 C ATOM 532 C GLN A1072 8.174 63.742 18.147 1.00 9.98 C ATOM 533 O GLN A1072 7.982 62.633 18.647 1.00 11.63 O ATOM 534 CB GLN A1072 9.997 64.871 19.445 1.00 10.53 C ATOM 535 CG GLN A1072 10.965 64.968 18.260 1.00 10.25 C ATOM 536 CD GLN A1072 12.423 65.031 18.681 1.00 11.24 C ATOM 537 OE1 GLN A1072 12.849 65.979 19.343 1.00 12.24 O ATOM 538 NE2 GLN A1072 13.197 64.017 18.298 1.00 11.20 N ATOM 539 N ARG A1073 8.071 63.971 16.843 1.00 8.93 N ATOM 540 CA ARG A1073 7.742 62.904 15.905 1.00 9.10 C ATOM 541 C ARG A1073 8.825 62.787 14.841 1.00 9.98 C ATOM 542 O ARG A1073 9.368 63.795 14.391 1.00 9.48 O ATOM 543 CB ARG A1073 6.383 63.177 15.251 1.00 10.51 C ATOM 544 CG ARG A1073 5.198 62.952 16.194 1.00 12.31 C ATOM 545 CD ARG A1073 3.858 63.218 15.511 1.00 13.89 C ATOM 546 NE ARG A1073 2.730 62.719 16.302 1.00 13.41 N ATOM 547 CZ ARG A1073 2.396 63.174 17.506 1.00 14.87 C ATOM 548 NH1 ARG A1073 3.097 64.149 18.072 1.00 15.40 N ATOM 549 NH2 ARG A1073 1.363 62.648 18.152 1.00 16.05 N ATOM 550 N GLU A1074 9.134 61.554 14.445 1.00 8.83 N ATOM 551 CA GLU A1074 10.170 61.308 13.448 1.00 8.48 C ATOM 552 C GLU A1074 9.627 61.155 12.037 1.00 9.32 C ATOM 553 O GLU A1074 8.427 60.960 11.835 1.00 9.93 O ATOM 554 CB GLU A1074 10.985 60.071 13.826 1.00 8.87 C ATOM 555 CG GLU A1074 11.607 60.150 15.209 1.00 9.41 C ATOM 556 CD GLU A1074 12.272 61.490 15.471 1.00 10.83 C ATOM 557 OE1 GLU A1074 13.080 61.928 14.628 1.00 14.37 O ATOM 558 OE2 GLU A1074 11.986 62.104 16.522 1.00 10.56 O ATOM 559 N ALA A1075 10.532 61.231 11.066 1.00 9.00 N ATOM 560 CA ALA A1075 10.179 61.144 9.654 1.00 9.18 C ATOM 561 C ALA A1075 10.245 59.743 9.065 1.00 9.77 C ATOM 562 O ALA A1075 9.933 59.551 7.891 1.00 10.58 O ATOM 563 CB ALA A1075 11.076 62.074 8.853 1.00 10.09 C ATOM 564 N VAL A1076 10.646 58.765 9.869 1.00 9.85 N ATOM 565 CA VAL A1076 10.747 57.392 9.387 1.00 8.84 C ATOM 566 C VAL A1076 10.082 56.424 10.359 1.00 7.57 C ATOM 567 O VAL A1076 9.841 56.762 11.519 1.00 8.59 O ATOM 568 CB VAL A1076 12.226 56.972 9.202 1.00 9.48 C ATOM 569 CG1 VAL A1076 12.924 57.921 8.238 1.00 11.66 C ATOM 570 CG2 VAL A1076 12.935 56.968 10.551 1.00 9.66 C ATOM 571 N PHE A1077 9.777 55.223 9.880 1.00 8.24 N ATOM 572 CA PHE A1077 9.148 54.212 10.719 1.00 8.61 C ATOM 573 C PHE A1077 9.643 52.829 10.304 1.00 9.38 C ATOM 574 O PHE A1077 8.915 52.045 9.695 1.00 9.14 O ATOM 575 CB PHE A1077 7.621 54.307 10.594 1.00 8.91 C ATOM 576 CG PHE A1077 6.876 53.586 11.684 1.00 8.97 C ATOM 577 CD1 PHE A1077 6.413 52.286 11.491 1.00 9.59 C ATOM 578 CD2 PHE A1077 6.652 54.204 12.913 1.00 8.70 C ATOM 579 CE1 PHE A1077 5.736 51.613 12.506 1.00 11.49 C ATOM 580 CE2 PHE A1077 5.978 53.542 13.935 1.00 9.67 C ATOM 581 CZ PHE A1077 5.519 52.242 13.730 1.00 9.90 C ATOM 582 N PRO A1078 10.909 52.516 10.626 1.00 11.27 N ATOM 583 CA PRO A1078 11.494 51.222 10.277 1.00 11.80 C ATOM 584 C PRO A1078 11.079 50.078 11.198 1.00 13.39 C ATOM 585 O PRO A1078 11.926 49.359 11.724 1.00 13.12 O ATOM 586 CB PRO A1078 12.992 51.503 10.328 1.00 10.73 C ATOM 587 CG PRO A1078 13.096 52.471 11.446 1.00 12.06 C ATOM 588 CD PRO A1078 11.930 53.414 11.198 1.00 12.17 C ATOM 589 N PHE A1079 9.773 49.931 11.397 1.00 13.54 N ATOM 590 CA PHE A1079 9.226 48.862 12.224 1.00 15.01 C ATOM 591 C PHE A1079 8.119 48.172 11.445 1.00 17.06 C ATOM 592 O PHE A1079 7.311 48.829 10.788 1.00 16.73 O ATOM 593 CB PHE A1079 8.649 49.406 13.535 1.00 14.14 C ATOM 594 CG PHE A1079 9.676 50.015 14.444 1.00 11.98 C ATOM 595 CD1 PHE A1079 9.828 51.394 14.519 1.00 11.65 C ATOM 596 CD2 PHE A1079 10.495 49.206 15.223 1.00 12.42 C ATOM 597 CE1 PHE A1079 10.784 51.961 15.357 1.00 13.33 C ATOM 598 CE2 PHE A1079 11.453 49.762 16.063 1.00 11.78 C ATOM 599 CZ PHE A1079 11.597 51.143 16.131 1.00 11.97 C ATOM 600 N GLN A1080 8.088 46.847 11.520 1.00 19.18 N ATOM 601 CA GLN A1080 7.077 46.070 10.819 1.00 22.03 C ATOM 602 C GLN A1080 6.493 45.013 11.747 1.00 22.54 C ATOM 603 O GLN A1080 7.229 44.284 12.411 1.00 21.85 O ATOM 604 CB GLN A1080 7.686 45.393 9.585 1.00 23.29 C ATOM 605 CG GLN A1080 8.323 46.359 8.585 1.00 26.69 C ATOM 606 CD GLN A1080 9.731 46.783 8.974 1.00 28.46 C ATOM 607 OE1 GLN A1080 10.240 47.798 8.494 1.00 29.34 O ATOM 608 NE2 GLN A1080 10.374 45.998 9.833 1.00 29.31 N ATOM 609 N PRO A1081 5.155 44.930 11.820 1.00 23.61 N ATOM 610 CA PRO A1081 4.513 43.935 12.685 1.00 23.27 C ATOM 611 C PRO A1081 5.004 42.529 12.343 1.00 23.34 C ATOM 612 O PRO A1081 5.249 42.216 11.177 1.00 22.86 O ATOM 613 CB PRO A1081 3.031 44.123 12.377 1.00 24.72 C ATOM 614 CG PRO A1081 2.943 45.595 12.079 1.00 25.00 C ATOM 615 CD PRO A1081 4.152 45.814 11.199 1.00 24.58 C ATOM 616 N GLY A1082 5.165 41.695 13.364 1.00 23.72 N ATOM 617 CA GLY A1082 5.618 40.333 13.144 1.00 23.77 C ATOM 618 C GLY A1082 7.081 40.188 12.765 1.00 24.60 C ATOM 619 O GLY A1082 7.457 39.225 12.097 1.00 25.76 O ATOM 620 N SER A1083 7.912 41.139 13.179 1.00 23.58 N ATOM 621 CA SER A1083 9.335 41.072 12.869 1.00 23.09 C ATOM 622 C SER A1083 10.166 41.581 14.039 1.00 21.67 C ATOM 623 O SER A1083 9.701 42.398 14.833 1.00 20.64 O ATOM 624 CB SER A1083 9.655 41.900 11.623 1.00 25.10 C ATOM 625 OG SER A1083 9.546 43.285 11.894 1.00 29.60 O ATOM 626 N VAL A1084 11.395 41.088 14.141 1.00 20.34 N ATOM 627 CA VAL A1084 12.292 41.506 15.209 1.00 19.72 C ATOM 628 C VAL A1084 12.829 42.893 14.881 1.00 18.58 C ATOM 629 O VAL A1084 13.088 43.211 13.720 1.00 18.82 O ATOM 630 CB VAL A1084 13.482 40.531 15.355 1.00 20.30 C ATOM 631 CG1 VAL A1084 14.418 41.004 16.462 1.00 20.30 C ATOM 632 CG2 VAL A1084 12.969 39.132 15.656 1.00 21.81 C ATOM 633 N ALA A1085 12.987 43.717 15.909 1.00 17.40 N ATOM 634 CA ALA A1085 13.495 45.067 15.733 1.00 16.69 C ATOM 635 C ALA A1085 14.421 45.397 16.889 1.00 16.29 C ATOM 636 O ALA A1085 14.137 45.062 18.039 1.00 16.25 O ATOM 637 CB ALA A1085 12.342 46.061 15.692 1.00 16.05 C ATOM 638 N GLU A1086 15.532 46.049 16.579 1.00 15.89 N ATOM 639 CA GLU A1086 16.485 46.428 17.604 1.00 14.35 C ATOM 640 C GLU A1086 16.641 47.939 17.632 1.00 14.65 C ATOM 641 O GLU A1086 16.709 48.584 16.588 1.00 13.27 O ATOM 642 CB GLU A1086 17.835 45.771 17.335 1.00 15.54 C ATOM 643 CG GLU A1086 18.904 46.107 18.356 1.00 18.41 C ATOM 644 CD GLU A1086 20.160 45.290 18.150 1.00 21.35 C ATOM 645 OE1 GLU A1086 20.120 44.068 18.402 1.00 22.73 O ATOM 646 OE2 GLU A1086 21.180 45.868 17.725 1.00 23.51 O ATOM 647 N VAL A1087 16.678 48.498 18.834 1.00 14.31 N ATOM 648 CA VAL A1087 16.848 49.932 19.006 1.00 15.16 C ATOM 649 C VAL A1087 18.041 50.148 19.929 1.00 15.05 C ATOM 650 O VAL A1087 18.226 49.408 20.893 1.00 14.63 O ATOM 651 CB VAL A1087 15.593 50.571 19.632 1.00 15.84 C ATOM 652 CG1 VAL A1087 15.797 52.064 19.810 1.00 19.60 C ATOM 653 CG2 VAL A1087 14.382 50.307 18.744 1.00 17.53 C ATOM 654 N CYS A1088 18.860 51.145 19.611 1.00 14.20 N ATOM 655 CA CYS A1088 20.030 51.466 20.417 1.00 14.71 C ATOM 656 C CYS A1088 19.890 52.892 20.911 1.00 15.16 C ATOM 657 O CYS A1088 19.759 53.823 20.116 1.00 15.18 O ATOM 658 CB CYS A1088 21.312 51.303 19.603 1.00 18.15 C ATOM 659 SG CYS A1088 21.578 49.617 19.026 1.00 22.95 S ATOM 660 N ILE A1089 19.910 53.057 22.228 1.00 14.17 N ATOM 661 CA ILE A1089 19.761 54.372 22.827 1.00 13.72 C ATOM 662 C ILE A1089 20.993 54.757 23.628 1.00 14.45 C ATOM 663 O ILE A1089 21.414 54.044 24.540 1.00 13.02 O ATOM 664 CB ILE A1089 18.518 54.409 23.735 1.00 14.32 C ATOM 665 CG1 ILE A1089 17.290 53.998 22.915 1.00 15.75 C ATOM 666 CG2 ILE A1089 18.326 55.807 24.320 1.00 14.57 C ATOM 667 CD1 ILE A1089 16.028 53.827 23.723 1.00 18.54 C ATOM 668 N THR A1090 21.581 55.888 23.265 1.00 15.19 N ATOM 669 CA THR A1090 22.758 56.368 23.961 1.00 17.39 C ATOM 670 C THR A1090 22.362 57.564 24.801 1.00 17.94 C ATOM 671 O THR A1090 21.653 58.463 24.341 1.00 17.75 O ATOM 672 CB THR A1090 23.866 56.766 22.980 1.00 18.28 C ATOM 673 OG1 THR A1090 24.177 55.646 22.143 1.00 18.64 O ATOM 674 CG2 THR A1090 25.121 57.186 23.739 1.00 20.20 C ATOM 675 N PHE A1091 22.814 57.556 26.046 1.00 19.97 N ATOM 676 CA PHE A1091 22.504 58.620 26.978 1.00 22.11 C ATOM 677 C PHE A1091 23.636 59.631 27.092 1.00 23.30 C ATOM 678 O PHE A1091 24.797 59.263 27.254 1.00 23.18 O ATOM 679 CB PHE A1091 22.212 58.025 28.357 1.00 21.29 C ATOM 680 CG PHE A1091 21.966 59.053 29.418 1.00 23.59 C ATOM 681 CD1 PHE A1091 22.643 58.990 30.630 1.00 24.69 C ATOM 682 CD2 PHE A1091 21.056 60.082 29.210 1.00 24.72 C ATOM 683 CE1 PHE A1091 22.417 59.938 31.621 1.00 24.83 C ATOM 684 CE2 PHE A1091 20.822 61.037 30.196 1.00 25.80 C ATOM 685 CZ PHE A1091 21.505 60.964 31.404 1.00 25.37 C ATOM 686 N ASP A1092 23.281 60.906 27.000 1.00 25.27 N ATOM 687 CA ASP A1092 24.240 61.993 27.128 1.00 27.70 C ATOM 688 C ASP A1092 23.567 63.099 27.929 1.00 27.46 C ATOM 689 O ASP A1092 22.341 63.150 28.009 1.00 27.71 O ATOM 690 CB ASP A1092 24.672 62.500 25.750 1.00 31.20 C ATOM 691 CG ASP A1092 25.707 61.597 25.099 1.00 35.03 C ATOM 692 OD1 ASP A1092 26.768 61.367 25.720 1.00 37.61 O ATOM 693 OD2 ASP A1092 25.465 61.120 23.969 1.00 37.74 O ATOM 694 N GLN A1093 24.359 63.979 28.528 1.00 27.80 N ATOM 695 CA GLN A1093 23.799 65.051 29.343 1.00 28.21 C ATOM 696 C GLN A1093 22.869 65.995 28.585 1.00 26.94 C ATOM 697 O GLN A1093 21.834 66.407 29.109 1.00 27.03 O ATOM 698 CB GLN A1093 24.919 65.859 30.002 1.00 30.75 C ATOM 699 CG GLN A1093 24.415 66.912 30.979 1.00 34.69 C ATOM 700 CD GLN A1093 23.662 66.313 32.159 1.00 36.33 C ATOM 701 OE1 GLN A1093 23.058 67.035 32.954 1.00 39.12 O ATOM 702 NE2 GLN A1093 23.700 64.989 32.279 1.00 37.39 N ATOM 703 N ALA A1094 23.234 66.334 27.355 1.00 25.38 N ATOM 704 CA ALA A1094 22.426 67.244 26.551 1.00 23.51 C ATOM 705 C ALA A1094 21.277 66.549 25.824 1.00 22.44 C ATOM 706 O ALA A1094 20.155 67.056 25.792 1.00 21.33 O ATOM 707 CB ALA A1094 23.311 67.963 25.546 1.00 24.59 C ATOM 708 N ASN A1095 21.555 65.388 25.243 1.00 20.81 N ATOM 709 CA ASN A1095 20.536 64.656 24.498 1.00 20.49 C ATOM 710 C ASN A1095 20.725 63.151 24.561 1.00 18.25 C ATOM 711 O ASN A1095 21.779 62.649 24.952 1.00 20.17 O ATOM 712 CB ASN A1095 20.580 65.040 23.014 1.00 21.73 C ATOM 713 CG ASN A1095 20.259 66.495 22.767 1.00 24.25 C ATOM 714 OD1 ASN A1095 19.102 66.906 22.825 1.00 27.18 O ATOM 715 ND2 ASN A1095 21.287 67.285 22.484 1.00 26.05 N ATOM 716 N LEU A1096 19.680 62.438 24.168 1.00 16.68 N ATOM 717 CA LEU A1096 19.744 60.994 24.077 1.00 14.11 C ATOM 718 C LEU A1096 19.775 60.786 22.575 1.00 13.21 C ATOM 719 O LEU A1096 19.145 61.542 21.833 1.00 13.47 O ATOM 720 CB LEU A1096 18.493 60.327 24.651 1.00 15.72 C ATOM 721 CG LEU A1096 18.305 60.303 26.167 1.00 15.55 C ATOM 722 CD1 LEU A1096 17.475 61.491 26.604 1.00 17.35 C ATOM 723 CD2 LEU A1096 17.613 59.008 26.560 1.00 16.12 C ATOM 724 N THR A1097 20.525 59.794 22.118 1.00 11.23 N ATOM 725 CA THR A1097 20.586 59.509 20.696 1.00 12.02 C ATOM 726 C THR A1097 19.936 58.152 20.481 1.00 12.39 C ATOM 727 O THR A1097 20.273 57.181 21.157 1.00 14.36 O ATOM 728 CB THR A1097 22.037 59.461 20.183 1.00 13.49 C ATOM 729 OG1 THR A1097 22.655 60.740 20.376 1.00 14.84 O ATOM 730 CG2 THR A1097 22.061 59.111 18.701 1.00 14.44 C ATOM 731 N VAL A1098 18.986 58.093 19.558 1.00 10.59 N ATOM 732 CA VAL A1098 18.303 56.844 19.268 1.00 10.86 C ATOM 733 C VAL A1098 18.669 56.362 17.874 1.00 11.11 C ATOM 734 O VAL A1098 18.580 57.120 16.903 1.00 10.85 O ATOM 735 CB VAL A1098 16.767 57.017 19.340 1.00 10.05 C ATOM 736 CG1 VAL A1098 16.075 55.694 19.025 1.00 10.16 C ATOM 737 CG2 VAL A1098 16.365 57.517 20.718 1.00 11.61 C ATOM 738 N LYS A1099 19.105 55.110 17.777 1.00 9.87 N ATOM 739 CA LYS A1099 19.442 54.537 16.482 1.00 10.57 C ATOM 740 C LYS A1099 18.399 53.468 16.205 1.00 11.47 C ATOM 741 O LYS A1099 18.242 52.519 16.978 1.00 10.63 O ATOM 742 CB LYS A1099 20.845 53.916 16.477 1.00 12.98 C ATOM 743 CG LYS A1099 21.214 53.323 15.119 1.00 14.54 C ATOM 744 CD LYS A1099 22.603 52.698 15.099 1.00 20.09 C ATOM 745 CE LYS A1099 23.695 53.754 15.124 1.00 22.73 C ATOM 746 NZ LYS A1099 25.048 53.150 14.943 1.00 25.83 N ATOM 747 N LEU A1100 17.673 53.644 15.108 1.00 10.21 N ATOM 748 CA LEU A1100 16.612 52.727 14.717 1.00 10.72 C ATOM 749 C LEU A1100 17.135 51.494 13.985 1.00 11.27 C ATOM 750 O LEU A1100 18.308 51.432 13.614 1.00 11.52 O ATOM 751 CB LEU A1100 15.597 53.479 13.849 1.00 8.98 C ATOM 752 CG LEU A1100 14.942 54.667 14.565 1.00 10.84 C ATOM 753 CD1 LEU A1100 13.935 55.339 13.640 1.00 10.37 C ATOM 754 CD2 LEU A1100 14.255 54.186 15.837 1.00 10.37 C ATOM 755 N PRO A1101 16.266 50.489 13.776 1.00 13.74 N ATOM 756 CA PRO A1101 16.626 49.244 13.091 1.00 13.32 C ATOM 757 C PRO A1101 17.363 49.421 11.768 1.00 14.00 C ATOM 758 O PRO A1101 18.255 48.639 11.451 1.00 14.85 O ATOM 759 CB PRO A1101 15.279 48.553 12.907 1.00 13.70 C ATOM 760 CG PRO A1101 14.539 48.957 14.128 1.00 16.49 C ATOM 761 CD PRO A1101 14.865 50.434 14.239 1.00 13.27 C ATOM 762 N ASP A1102 17.002 50.443 10.998 1.00 12.89 N ATOM 763 CA ASP A1102 17.649 50.655 9.707 1.00 12.30 C ATOM 764 C ASP A1102 18.840 51.607 9.726 1.00 12.90 C ATOM 765 O ASP A1102 19.352 51.983 8.671 1.00 12.88 O ATOM 766 CB ASP A1102 16.624 51.133 8.676 1.00 13.13 C ATOM 767 CG ASP A1102 16.076 52.507 8.986 1.00 14.58 C ATOM 768 OD1 ASP A1102 16.297 53.012 10.107 1.00 12.16 O ATOM 769 OD2 ASP A1102 15.410 53.081 8.101 1.00 17.06 O ATOM 770 N GLY A1103 19.279 51.996 10.920 1.00 12.89 N ATOM 771 CA GLY A1103 20.426 52.881 11.030 1.00 12.35 C ATOM 772 C GLY A1103 20.094 54.353 11.172 1.00 10.95 C ATOM 773 O GLY A1103 20.971 55.171 11.457 1.00 9.83 O ATOM 774 N TYR A1104 18.833 54.706 10.955 1.00 11.01 N ATOM 775 CA TYR A1104 18.425 56.095 11.085 1.00 10.86 C ATOM 776 C TYR A1104 18.616 56.505 12.538 1.00 11.08 C ATOM 777 O TYR A1104 18.223 55.779 13.450 1.00 12.35 O ATOM 778 CB TYR A1104 16.954 56.265 10.707 1.00 11.18 C ATOM 779 CG TYR A1104 16.513 57.711 10.644 1.00 12.06 C ATOM 780 CD1 TYR A1104 16.743 58.478 9.504 1.00 13.93 C ATOM 781 CD2 TYR A1104 15.851 58.308 11.719 1.00 11.86 C ATOM 782 CE1 TYR A1104 16.320 59.805 9.428 1.00 13.66 C ATOM 783 CE2 TYR A1104 15.424 59.634 11.656 1.00 13.14 C ATOM 784 CZ TYR A1104 15.659 60.374 10.505 1.00 13.77 C ATOM 785 OH TYR A1104 15.217 61.675 10.425 1.00 13.88 O ATOM 786 N GLU A1105 19.224 57.666 12.749 1.00 11.29 N ATOM 787 CA GLU A1105 19.458 58.168 14.099 1.00 13.18 C ATOM 788 C GLU A1105 18.786 59.518 14.306 1.00 12.56 C ATOM 789 O GLU A1105 18.660 60.306 13.373 1.00 13.78 O ATOM 790 CB GLU A1105 20.955 58.346 14.359 1.00 17.17 C ATOM 791 CG GLU A1105 21.750 57.067 14.515 1.00 22.79 C ATOM 792 CD GLU A1105 23.232 57.341 14.688 1.00 26.36 C ATOM 793 OE1 GLU A1105 23.865 57.811 13.719 1.00 29.55 O ATOM 794 OE2 GLU A1105 23.760 57.097 15.793 1.00 29.19 O ATOM 795 N PHE A1106 18.343 59.771 15.531 1.00 11.09 N ATOM 796 CA PHE A1106 17.746 61.052 15.868 1.00 10.00 C ATOM 797 C PHE A1106 18.031 61.303 17.337 1.00 11.74 C ATOM 798 O PHE A1106 18.336 60.373 18.086 1.00 12.59 O ATOM 799 CB PHE A1106 16.235 61.084 15.581 1.00 10.29 C ATOM 800 CG PHE A1106 15.413 60.177 16.455 1.00 10.33 C ATOM 801 CD1 PHE A1106 15.178 58.857 16.087 1.00 8.54 C ATOM 802 CD2 PHE A1106 14.852 60.655 17.635 1.00 9.37 C ATOM 803 CE1 PHE A1106 14.392 58.023 16.882 1.00 11.31 C ATOM 804 CE2 PHE A1106 14.067 59.830 18.436 1.00 10.21 C ATOM 805 CZ PHE A1106 13.837 58.510 18.055 1.00 10.34 C ATOM 806 N LYS A1107 17.965 62.561 17.747 1.00 11.77 N ATOM 807 CA LYS A1107 18.234 62.894 19.133 1.00 11.41 C ATOM 808 C LYS A1107 16.998 63.445 19.820 1.00 12.01 C ATOM 809 O LYS A1107 16.094 63.971 19.172 1.00 10.93 O ATOM 810 CB LYS A1107 19.370 63.917 19.213 1.00 15.13 C ATOM 811 CG LYS A1107 20.695 63.407 18.670 1.00 16.20 C ATOM 812 CD LYS A1107 21.760 64.496 18.698 1.00 20.76 C ATOM 813 CE LYS A1107 23.071 64.000 18.113 1.00 21.71 C ATOM 814 NZ LYS A1107 23.667 62.885 18.904 1.00 24.27 N ATOM 815 N PHE A1108 16.963 63.303 21.138 1.00 11.98 N ATOM 816 CA PHE A1108 15.861 63.813 21.935 1.00 12.14 C ATOM 817 C PHE A1108 16.524 64.517 23.107 1.00 12.43 C ATOM 818 O PHE A1108 17.377 63.942 23.783 1.00 13.72 O ATOM 819 CB PHE A1108 14.965 62.680 22.440 1.00 12.49 C ATOM 820 CG PHE A1108 13.681 63.160 23.061 1.00 11.51 C ATOM 821 CD1 PHE A1108 12.685 63.735 22.273 1.00 12.78 C ATOM 822 CD2 PHE A1108 13.475 63.060 24.432 1.00 12.28 C ATOM 823 CE1 PHE A1108 11.500 64.203 22.845 1.00 12.73 C ATOM 824 CE2 PHE A1108 12.293 63.525 25.016 1.00 12.83 C ATOM 825 CZ PHE A1108 11.305 64.099 24.221 1.00 12.96 C ATOM 826 N PRO A1109 16.143 65.774 23.362 1.00 13.71 N ATOM 827 CA PRO A1109 16.725 66.547 24.461 1.00 15.24 C ATOM 828 C PRO A1109 16.517 65.949 25.847 1.00 14.61 C ATOM 829 O PRO A1109 15.446 65.427 26.156 1.00 14.91 O ATOM 830 CB PRO A1109 16.052 67.907 24.310 1.00 16.52 C ATOM 831 CG PRO A1109 14.687 67.530 23.820 1.00 17.43 C ATOM 832 CD PRO A1109 15.017 66.505 22.752 1.00 15.79 C ATOM 833 N ASN A1110 17.560 66.024 26.669 1.00 15.32 N ATOM 834 CA ASN A1110 17.509 65.528 28.038 1.00 15.95 C ATOM 835 C ASN A1110 16.899 66.644 28.887 1.00 16.83 C ATOM 836 O ASN A1110 17.579 67.274 29.699 1.00 17.79 O ATOM 837 CB ASN A1110 18.924 65.184 28.520 1.00 16.76 C ATOM 838 CG ASN A1110 18.946 64.642 29.935 1.00 18.31 C ATOM 839 OD1 ASN A1110 17.913 64.265 30.487 1.00 19.26 O ATOM 840 ND2 ASN A1110 20.134 64.587 30.527 1.00 20.17 N ATOM 841 N ARG A1111 15.606 66.877 28.676 1.00 16.39 N ATOM 842 CA ARG A1111 14.853 67.925 29.365 1.00 17.96 C ATOM 843 C ARG A1111 14.893 67.871 30.888 1.00 18.70 C ATOM 844 O ARG A1111 14.927 68.913 31.545 1.00 19.66 O ATOM 845 CB ARG A1111 13.396 67.895 28.901 1.00 16.99 C ATOM 846 CG ARG A1111 13.214 68.157 27.413 1.00 17.05 C ATOM 847 CD ARG A1111 11.784 67.873 27.000 1.00 16.89 C ATOM 848 NE ARG A1111 11.523 68.211 25.605 1.00 16.13 N ATOM 849 CZ ARG A1111 10.467 67.771 24.927 1.00 16.05 C ATOM 850 NH1 ARG A1111 9.587 66.977 25.517 1.00 14.90 N ATOM 851 NH2 ARG A1111 10.287 68.126 23.665 1.00 15.14 N ATOM 852 N LEU A1112 14.873 66.665 31.445 1.00 19.42 N ATOM 853 CA LEU A1112 14.904 66.490 32.895 1.00 20.28 C ATOM 854 C LEU A1112 16.311 66.651 33.467 1.00 20.34 C ATOM 855 O LEU A1112 16.497 66.643 34.685 1.00 19.46 O ATOM 856 CB LEU A1112 14.350 65.113 33.273 1.00 20.58 C ATOM 857 CG LEU A1112 12.833 64.907 33.259 1.00 21.55 C ATOM 858 CD1 LEU A1112 12.243 65.339 31.928 1.00 23.33 C ATOM 859 CD2 LEU A1112 12.531 63.440 33.535 1.00 21.43 C ATOM 860 N ASN A1113 17.296 66.794 32.585 1.00 19.79 N ATOM 861 CA ASN A1113 18.686 66.960 32.993 1.00 21.46 C ATOM 862 C ASN A1113 19.190 65.810 33.856 1.00 22.04 C ATOM 863 O ASN A1113 19.946 66.018 34.803 1.00 20.88 O ATOM 864 CB ASN A1113 18.862 68.278 33.749 1.00 23.59 C ATOM 865 CG ASN A1113 18.500 69.480 32.904 1.00 26.31 C ATOM 866 OD1 ASN A1113 19.061 69.685 31.828 1.00 26.91 O ATOM 867 ND2 ASN A1113 17.558 70.282 33.387 1.00 27.52 N ATOM 868 N LEU A1114 18.762 64.595 33.527 1.00 21.23 N ATOM 869 CA LEU A1114 19.191 63.415 34.263 1.00 21.68 C ATOM 870 C LEU A1114 20.686 63.219 34.065 1.00 21.89 C ATOM 871 O LEU A1114 21.216 63.494 32.989 1.00 20.62 O ATOM 872 CB LEU A1114 18.442 62.178 33.761 1.00 22.34 C ATOM 873 CG LEU A1114 17.154 61.768 34.480 1.00 24.31 C ATOM 874 CD1 LEU A1114 16.296 62.979 34.784 1.00 23.87 C ATOM 875 CD2 LEU A1114 16.405 60.762 33.619 1.00 24.65 C ATOM 876 N GLU A1115 21.365 62.750 35.106 1.00 22.27 N ATOM 877 CA GLU A1115 22.798 62.507 35.028 1.00 23.52 C ATOM 878 C GLU A1115 23.038 61.014 34.860 1.00 21.76 C ATOM 879 O GLU A1115 24.169 60.565 34.688 1.00 22.24 O ATOM 880 CB GLU A1115 23.492 63.017 36.293 1.00 26.54 C ATOM 881 CG GLU A1115 23.423 64.528 36.453 1.00 30.68 C ATOM 882 CD GLU A1115 24.100 65.017 37.716 1.00 32.90 C ATOM 883 OE1 GLU A1115 24.169 66.250 37.914 1.00 35.91 O ATOM 884 OE2 GLU A1115 24.561 64.172 38.513 1.00 34.82 O ATOM 885 N ALA A1116 21.954 60.250 34.910 1.00 20.59 N ATOM 886 CA ALA A1116 22.031 58.807 34.756 1.00 19.31 C ATOM 887 C ALA A1116 20.636 58.244 34.556 1.00 18.29 C ATOM 888 O ALA A1116 19.648 58.831 34.996 1.00 17.96 O ATOM 889 CB ALA A1116 22.674 58.181 35.987 1.00 20.40 C ATOM 890 N ILE A1117 20.560 57.112 33.869 1.00 18.09 N ATOM 891 CA ILE A1117 19.286 56.451 33.631 1.00 18.26 C ATOM 892 C ILE A1117 19.257 55.211 34.516 1.00 18.03 C ATOM 893 O ILE A1117 20.121 54.344 34.402 1.00 19.48 O ATOM 894 CB ILE A1117 19.136 56.042 32.147 1.00 17.15 C ATOM 895 CG1 ILE A1117 19.045 57.300 31.275 1.00 18.48 C ATOM 896 CG2 ILE A1117 17.899 55.171 31.966 1.00 18.25 C ATOM 897 CD1 ILE A1117 18.963 57.021 29.783 1.00 18.88 C ATOM 898 N ASN A1118 18.277 55.138 35.410 1.00 17.96 N ATOM 899 CA ASN A1118 18.171 53.998 36.316 1.00 19.00 C ATOM 900 C ASN A1118 16.919 53.168 36.100 1.00 17.81 C ATOM 901 O ASN A1118 16.777 52.092 36.677 1.00 17.95 O ATOM 902 CB ASN A1118 18.189 54.465 37.771 1.00 21.97 C ATOM 903 CG ASN A1118 19.534 55.005 38.193 1.00 25.67 C ATOM 904 OD1 ASN A1118 19.829 56.186 38.017 1.00 28.04 O ATOM 905 ND2 ASN A1118 20.369 54.132 38.744 1.00 27.37 N ATOM 906 N TYR A1119 16.018 53.664 35.263 1.00 16.56 N ATOM 907 CA TYR A1119 14.760 52.978 35.018 1.00 15.09 C ATOM 908 C TYR A1119 14.470 52.721 33.544 1.00 15.02 C ATOM 909 O TYR A1119 14.667 53.592 32.699 1.00 12.99 O ATOM 910 CB TYR A1119 13.630 53.810 35.625 1.00 14.77 C ATOM 911 CG TYR A1119 12.239 53.300 35.346 1.00 14.28 C ATOM 912 CD1 TYR A1119 11.648 52.336 36.162 1.00 14.62 C ATOM 913 CD2 TYR A1119 11.497 53.808 34.280 1.00 14.18 C ATOM 914 CE1 TYR A1119 10.346 51.894 35.922 1.00 15.08 C ATOM 915 CE2 TYR A1119 10.204 53.373 34.033 1.00 14.30 C ATOM 916 CZ TYR A1119 9.633 52.421 34.856 1.00 14.71 C ATOM 917 OH TYR A1119 8.346 52.011 34.615 1.00 14.94 O ATOM 918 N MET A1120 14.000 51.514 33.248 1.00 14.72 N ATOM 919 CA MET A1120 13.640 51.135 31.889 1.00 15.81 C ATOM 920 C MET A1120 12.417 50.237 31.958 1.00 16.28 C ATOM 921 O MET A1120 12.356 49.323 32.779 1.00 17.33 O ATOM 922 CB MET A1120 14.768 50.369 31.198 1.00 18.20 C ATOM 923 CG MET A1120 14.378 49.897 29.800 1.00 23.40 C ATOM 924 SD MET A1120 15.388 48.549 29.166 1.00 29.76 S ATOM 925 CE MET A1120 14.440 47.148 29.703 1.00 30.23 C ATOM 926 N ALA A1121 11.445 50.497 31.093 1.00 15.61 N ATOM 927 CA ALA A1121 10.232 49.697 31.068 1.00 14.36 C ATOM 928 C ALA A1121 9.754 49.539 29.638 1.00 15.09 C ATOM 929 O ALA A1121 9.834 50.474 28.839 1.00 14.81 O ATOM 930 CB ALA A1121 9.151 50.355 31.908 1.00 15.97 C ATOM 931 N ALA A1122 9.277 48.343 29.317 1.00 12.84 N ATOM 932 CA ALA A1122 8.765 48.053 27.989 1.00 13.95 C ATOM 933 C ALA A1122 7.275 47.798 28.132 1.00 14.02 C ATOM 934 O ALA A1122 6.825 47.268 29.144 1.00 14.05 O ATOM 935 CB ALA A1122 9.455 46.826 27.410 1.00 14.66 C ATOM 936 N ASP A1123 6.506 48.186 27.125 1.00 15.60 N ATOM 937 CA ASP A1123 5.070 47.979 27.166 1.00 17.94 C ATOM 938 C ASP A1123 4.535 47.977 25.742 1.00 18.84 C ATOM 939 O ASP A1123 5.224 48.393 24.814 1.00 18.91 O ATOM 940 CB ASP A1123 4.410 49.082 27.996 1.00 21.28 C ATOM 941 CG ASP A1123 2.945 48.807 28.278 1.00 25.74 C ATOM 942 OD1 ASP A1123 2.599 47.641 28.567 1.00 27.86 O ATOM 943 OD2 ASP A1123 2.142 49.763 28.227 1.00 28.79 O ATOM 944 N GLY A1124 3.315 47.490 25.566 1.00 20.04 N ATOM 945 CA GLY A1124 2.748 47.454 24.235 1.00 20.04 C ATOM 946 C GLY A1124 3.032 46.155 23.510 1.00 20.22 C ATOM 947 O GLY A1124 3.390 45.150 24.121 1.00 19.57 O ATOM 948 N ASP A1125 2.896 46.189 22.190 1.00 20.57 N ATOM 949 CA ASP A1125 3.095 45.009 21.362 1.00 21.95 C ATOM 950 C ASP A1125 4.543 44.772 20.943 1.00 21.73 C ATOM 951 O ASP A1125 4.852 44.668 19.754 1.00 20.88 O ATOM 952 CB ASP A1125 2.191 45.121 20.137 1.00 23.78 C ATOM 953 CG ASP A1125 0.793 45.583 20.502 1.00 26.99 C ATOM 954 OD1 ASP A1125 0.217 45.016 21.454 1.00 26.92 O ATOM 955 OD2 ASP A1125 0.272 46.511 19.846 1.00 28.68 O ATOM 956 N PHE A1126 5.421 44.666 21.935 1.00 21.27 N ATOM 957 CA PHE A1126 6.845 44.444 21.700 1.00 22.05 C ATOM 958 C PHE A1126 7.370 43.472 22.757 1.00 22.29 C ATOM 959 O PHE A1126 7.433 43.806 23.940 1.00 24.13 O ATOM 960 CB PHE A1126 7.590 45.780 21.796 1.00 20.65 C ATOM 961 CG PHE A1126 9.024 45.724 21.346 1.00 20.18 C ATOM 962 CD1 PHE A1126 9.345 45.395 20.032 1.00 19.87 C ATOM 963 CD2 PHE A1126 10.053 46.058 22.222 1.00 20.36 C ATOM 964 CE1 PHE A1126 10.668 45.403 19.596 1.00 19.80 C ATOM 965 CE2 PHE A1126 11.379 46.070 21.796 1.00 20.44 C ATOM 966 CZ PHE A1126 11.687 45.743 20.480 1.00 19.17 C ATOM 967 N LYS A1127 7.737 42.268 22.330 1.00 22.30 N ATOM 968 CA LYS A1127 8.250 41.257 23.254 1.00 23.51 C ATOM 969 C LYS A1127 9.773 41.318 23.292 1.00 21.34 C ATOM 970 O LYS A1127 10.438 40.902 22.345 1.00 21.47 O ATOM 971 CB LYS A1127 7.797 39.862 22.809 1.00 24.55 C ATOM 972 CG LYS A1127 8.253 38.722 23.717 1.00 28.10 C ATOM 973 CD LYS A1127 7.595 38.790 25.085 1.00 32.00 C ATOM 974 CE LYS A1127 8.017 37.618 25.963 1.00 33.78 C ATOM 975 NZ LYS A1127 7.703 36.304 25.331 1.00 36.36 N ATOM 976 N ILE A1128 10.320 41.838 24.386 1.00 20.72 N ATOM 977 CA ILE A1128 11.768 41.958 24.527 1.00 19.79 C ATOM 978 C ILE A1128 12.469 40.606 24.490 1.00 19.47 C ATOM 979 O ILE A1128 12.103 39.677 25.214 1.00 19.63 O ATOM 980 CB ILE A1128 12.144 42.693 25.838 1.00 20.89 C ATOM 981 CG1 ILE A1128 11.718 44.163 25.745 1.00 21.74 C ATOM 982 CG2 ILE A1128 13.646 42.590 26.092 1.00 18.95 C ATOM 983 CD1 ILE A1128 12.176 45.019 26.909 1.00 24.16 C ATOM 984 N LYS A1129 13.479 40.500 23.634 1.00 17.55 N ATOM 985 CA LYS A1129 14.237 39.265 23.506 1.00 18.21 C ATOM 986 C LYS A1129 15.606 39.407 24.159 1.00 16.47 C ATOM 987 O LYS A1129 16.188 38.425 24.614 1.00 15.01 O ATOM 988 CB LYS A1129 14.395 38.883 22.033 1.00 21.19 C ATOM 989 CG LYS A1129 13.074 38.610 21.313 1.00 25.69 C ATOM 990 CD LYS A1129 12.181 37.644 22.093 1.00 30.09 C ATOM 991 CE LYS A1129 12.880 36.327 22.403 1.00 32.33 C ATOM 992 NZ LYS A1129 13.301 35.595 21.178 1.00 35.29 N ATOM 993 N CYS A1130 16.122 40.631 24.196 1.00 15.23 N ATOM 994 CA CYS A1130 17.411 40.869 24.831 1.00 17.09 C ATOM 995 C CYS A1130 17.639 42.346 25.076 1.00 15.51 C ATOM 996 O CYS A1130 17.150 43.201 24.337 1.00 13.82 O ATOM 997 CB CYS A1130 18.579 40.308 24.013 1.00 21.15 C ATOM 998 SG CYS A1130 18.905 41.102 22.421 1.00 27.52 S ATOM 999 N VAL A1131 18.382 42.632 26.136 1.00 14.09 N ATOM 1000 CA VAL A1131 18.721 43.998 26.488 1.00 13.77 C ATOM 1001 C VAL A1131 20.188 43.980 26.885 1.00 13.78 C ATOM 1002 O VAL A1131 20.617 43.124 27.658 1.00 13.40 O ATOM 1003 CB VAL A1131 17.889 44.514 27.682 1.00 14.66 C ATOM 1004 CG1 VAL A1131 18.316 45.932 28.027 1.00 15.24 C ATOM 1005 CG2 VAL A1131 16.403 44.485 27.343 1.00 13.62 C ATOM 1006 N ALA A1132 20.954 44.915 26.338 1.00 14.82 N ATOM 1007 CA ALA A1132 22.369 45.016 26.644 1.00 15.33 C ATOM 1008 C ALA A1132 22.624 46.393 27.234 1.00 19.11 C ATOM 1009 O ALA A1132 22.122 47.395 26.721 1.00 16.73 O ATOM 1010 CB ALA A1132 23.193 44.821 25.381 1.00 15.87 C ATOM 1011 N PHE A1133 23.385 46.437 28.323 1.00 22.42 N ATOM 1012 CA PHE A1133 23.709 47.696 28.987 1.00 27.44 C ATOM 1013 C PHE A1133 25.220 47.884 28.937 1.00 30.68 C ATOM 1014 O PHE A1133 25.947 47.237 29.687 1.00 30.98 O ATOM 1015 CB PHE A1133 23.270 47.674 30.460 1.00 27.04 C ATOM 1016 CG PHE A1133 21.905 47.085 30.693 1.00 27.95 C ATOM 1017 CD1 PHE A1133 21.710 45.709 30.663 1.00 27.84 C ATOM 1018 CD2 PHE A1133 20.817 47.909 30.966 1.00 27.68 C ATOM 1019 CE1 PHE A1133 20.450 45.158 30.901 1.00 28.88 C ATOM 1020 CE2 PHE A1133 19.555 47.370 31.205 1.00 28.37 C ATOM 1021 CZ PHE A1133 19.371 45.993 31.174 1.00 28.87 C ATOM 1022 N ASP A1134 25.692 48.764 28.061 1.00 34.91 N ATOM 1023 CA ASP A1134 27.125 49.010 27.944 1.00 38.68 C ATOM 1024 C ASP A1134 27.938 47.726 27.837 1.00 40.12 C ATOM 1025 O ASP A1134 28.500 47.473 26.752 1.00 40.74 O ATOM 1026 CB ASP A1134 27.623 49.825 29.137 1.00 41.23 C ATOM 1027 CG ASP A1134 28.355 51.080 28.720 1.00 43.86 C ATOM 1028 OD1 ASP A1134 29.046 51.672 29.572 1.00 46.31 O ATOM 1029 OD2 ASP A1134 28.238 51.472 27.542 1.00 46.25 O ATOM 1030 OXT ASP A1134 28.003 46.988 28.842 1.00 41.42 O TER 1031 ASP A1134 ATOM 1032 N ALA B2001 23.360 50.342 46.887 1.00 37.39 N ATOM 1033 CA ALA B2001 24.148 50.308 45.621 1.00 36.65 C ATOM 1034 C ALA B2001 24.126 48.911 45.009 1.00 35.63 C ATOM 1035 O ALA B2001 25.076 48.501 44.340 1.00 35.88 O ATOM 1036 CB ALA B2001 25.586 50.736 45.894 1.00 36.93 C ATOM 1037 N SER B2002 23.037 48.184 45.240 1.00 34.31 N ATOM 1038 CA SER B2002 22.899 46.832 44.713 1.00 31.63 C ATOM 1039 C SER B2002 22.957 46.824 43.189 1.00 28.50 C ATOM 1040 O SER B2002 23.254 47.842 42.561 1.00 29.22 O ATOM 1041 CB SER B2002 21.583 46.206 45.192 1.00 33.30 C ATOM 1042 OG SER B2002 20.465 46.993 44.814 1.00 36.32 O ATOM 1043 N GLY B2003 22.670 45.671 42.598 1.00 24.72 N ATOM 1044 CA GLY B2003 22.709 45.561 41.155 1.00 18.17 C ATOM 1045 C GLY B2003 21.374 45.780 40.471 1.00 15.99 C ATOM 1046 O GLY B2003 20.415 46.283 41.062 1.00 12.99 O ATOM 1047 N LEU B2004 21.326 45.394 39.203 1.00 13.54 N ATOM 1048 CA LEU B2004 20.131 45.531 38.388 1.00 13.35 C ATOM 1049 C LEU B2004 18.979 44.713 38.952 1.00 12.90 C ATOM 1050 O LEU B2004 19.172 43.602 39.441 1.00 11.13 O ATOM 1051 CB LEU B2004 20.442 45.079 36.956 1.00 14.55 C ATOM 1052 CG LEU B2004 19.354 45.121 35.880 1.00 17.07 C ATOM 1053 CD1 LEU B2004 19.995 44.929 34.519 1.00 20.12 C ATOM 1054 CD2 LEU B2004 18.318 44.042 36.124 1.00 17.72 C ATOM 1055 N VAL B2005 17.778 45.277 38.890 1.00 12.60 N ATOM 1056 CA VAL B2005 16.586 44.586 39.355 1.00 11.64 C ATOM 1057 C VAL B2005 15.611 44.598 38.189 1.00 13.40 C ATOM 1058 O VAL B2005 15.363 45.645 37.588 1.00 13.98 O ATOM 1059 CB VAL B2005 15.941 45.295 40.565 1.00 12.90 C ATOM 1060 CG1 VAL B2005 14.663 44.575 40.969 1.00 13.45 C ATOM 1061 CG2 VAL B2005 16.916 45.312 41.734 1.00 12.43 C ATOM 1062 N ALA B2006 15.082 43.428 37.856 1.00 11.93 N ATOM 1063 CA ALA B2006 14.135 43.315 36.757 1.00 12.76 C ATOM 1064 C ALA B2006 12.867 42.634 37.239 1.00 13.70 C ATOM 1065 O ALA B2006 12.922 41.662 37.991 1.00 14.10 O ATOM 1066 CB ALA B2006 14.753 42.519 35.617 1.00 12.61 C ATOM 1067 N SER B2007 11.726 43.161 36.814 1.00 13.68 N ATOM 1068 CA SER B2007 10.439 42.597 37.187 1.00 14.39 C ATOM 1069 C SER B2007 9.623 42.377 35.920 1.00 15.38 C ATOM 1070 O SER B2007 9.989 42.866 34.849 1.00 11.73 O ATOM 1071 CB SER B2007 9.700 43.535 38.148 1.00 16.89 C ATOM 1072 OG SER B2007 9.542 44.825 37.586 1.00 18.54 O ATOM 1073 N ASN B2008 8.524 41.639 36.045 1.00 15.54 N ATOM 1074 CA ASN B2008 7.666 41.339 34.906 1.00 19.06 C ATOM 1075 C ASN B2008 8.486 40.606 33.845 1.00 19.33 C ATOM 1076 O ASN B2008 8.290 40.791 32.643 1.00 19.55 O ATOM 1077 CB ASN B2008 7.090 42.636 34.328 1.00 23.14 C ATOM 1078 CG ASN B2008 5.929 43.166 35.139 1.00 27.62 C ATOM 1079 OD1 ASN B2008 5.570 42.595 36.167 1.00 31.32 O ATOM 1080 ND2 ASN B2008 5.334 44.264 34.685 1.00 28.79 N ATOM 1081 N LEU B2009 9.404 39.763 34.308 1.00 18.85 N ATOM 1082 CA LEU B2009 10.281 38.998 33.428 1.00 18.83 C ATOM 1083 C LEU B2009 9.493 38.020 32.561 1.00 18.68 C ATOM 1084 O LEU B2009 9.826 37.796 31.396 1.00 17.93 O ATOM 1085 CB LEU B2009 11.307 38.240 34.272 1.00 21.77 C ATOM 1086 CG LEU B2009 12.714 38.072 33.701 1.00 22.94 C ATOM 1087 CD1 LEU B2009 13.295 39.435 33.362 1.00 24.93 C ATOM 1088 CD2 LEU B2009 13.588 37.357 34.717 1.00 24.49 C ATOM 1089 N ASN B2010 8.453 37.438 33.150 1.00 16.20 N ATOM 1090 CA ASN B2010 7.581 36.483 32.478 1.00 16.85 C ATOM 1091 C ASN B2010 8.307 35.323 31.796 1.00 15.78 C ATOM 1092 O ASN B2010 7.932 34.902 30.699 1.00 15.16 O ATOM 1093 CB ASN B2010 6.697 37.212 31.463 1.00 18.26 C ATOM 1094 CG ASN B2010 5.590 36.331 30.919 1.00 19.68 C ATOM 1095 OD1 ASN B2010 4.885 35.660 31.677 1.00 21.51 O ATOM 1096 ND2 ASN B2010 5.424 36.335 29.603 1.00 23.70 N ATOM 1097 N LEU B2011 9.343 34.805 32.446 1.00 13.06 N ATOM 1098 CA LEU B2011 10.088 33.682 31.892 1.00 11.90 C ATOM 1099 C LEU B2011 9.250 32.430 32.113 1.00 12.47 C ATOM 1100 O LEU B2011 8.874 32.119 33.244 1.00 12.45 O ATOM 1101 CB LEU B2011 11.438 33.521 32.595 1.00 12.17 C ATOM 1102 CG LEU B2011 12.352 32.451 31.984 1.00 12.94 C ATOM 1103 CD1 LEU B2011 12.907 32.954 30.655 1.00 13.28 C ATOM 1104 CD2 LEU B2011 13.496 32.133 32.938 1.00 12.21 C ATOM 1105 N LYS B2012 8.967 31.710 31.037 1.00 12.40 N ATOM 1106 CA LYS B2012 8.149 30.506 31.119 1.00 14.06 C ATOM 1107 C LYS B2012 8.984 29.232 31.068 1.00 13.70 C ATOM 1108 O LYS B2012 10.135 29.251 30.640 1.00 13.25 O ATOM 1109 CB LYS B2012 7.135 30.510 29.972 1.00 16.45 C ATOM 1110 CG LYS B2012 6.284 31.767 29.930 1.00 19.53 C ATOM 1111 CD LYS B2012 5.378 31.793 28.714 1.00 23.55 C ATOM 1112 CE LYS B2012 4.516 33.046 28.721 1.00 26.57 C ATOM 1113 NZ LYS B2012 3.733 33.151 29.986 1.00 29.81 N ATOM 1114 N PRO B2013 8.407 28.102 31.511 1.00 15.14 N ATOM 1115 CA PRO B2013 9.109 26.816 31.508 1.00 15.95 C ATOM 1116 C PRO B2013 9.693 26.513 30.136 1.00 17.01 C ATOM 1117 O PRO B2013 9.010 26.650 29.120 1.00 17.79 O ATOM 1118 CB PRO B2013 8.014 25.825 31.891 1.00 15.05 C ATOM 1119 CG PRO B2013 7.139 26.634 32.791 1.00 16.40 C ATOM 1120 CD PRO B2013 7.050 27.954 32.066 1.00 15.57 C ATOM 1121 N GLY B2014 10.960 26.111 30.108 1.00 17.93 N ATOM 1122 CA GLY B2014 11.600 25.787 28.848 1.00 18.05 C ATOM 1123 C GLY B2014 12.339 26.944 28.205 1.00 18.60 C ATOM 1124 O GLY B2014 13.243 26.729 27.395 1.00 19.03 O ATOM 1125 N GLU B2015 11.958 28.171 28.546 1.00 17.35 N ATOM 1126 CA GLU B2015 12.622 29.341 27.979 1.00 16.12 C ATOM 1127 C GLU B2015 13.984 29.491 28.635 1.00 16.03 C ATOM 1128 O GLU B2015 14.138 29.237 29.827 1.00 14.97 O ATOM 1129 CB GLU B2015 11.794 30.604 28.216 1.00 16.13 C ATOM 1130 CG GLU B2015 10.368 30.512 27.711 0.80 19.54 C ATOM 1131 CD GLU B2015 9.664 31.856 27.694 1.00 21.97 C ATOM 1132 OE1 GLU B2015 9.911 32.674 28.603 1.00 21.36 O ATOM 1133 OE2 GLU B2015 8.856 32.089 26.770 1.00 25.89 O ATOM 1134 N CYS B2016 14.973 29.910 27.857 1.00 15.28 N ATOM 1135 CA CYS B2016 16.318 30.061 28.386 1.00 15.55 C ATOM 1136 C CYS B2016 16.636 31.517 28.711 1.00 14.24 C ATOM 1137 O CYS B2016 16.556 32.394 27.847 1.00 14.88 O ATOM 1138 CB CYS B2016 17.339 29.527 27.381 1.00 19.40 C ATOM 1139 SG CYS B2016 19.058 29.657 27.915 1.00 21.98 S ATOM 1140 N LEU B2017 16.984 31.766 29.969 1.00 12.15 N ATOM 1141 CA LEU B2017 17.353 33.100 30.417 1.00 10.97 C ATOM 1142 C LEU B2017 18.871 33.144 30.473 1.00 10.44 C ATOM 1143 O LEU B2017 19.487 32.397 31.233 1.00 10.87 O ATOM 1144 CB LEU B2017 16.790 33.383 31.813 1.00 11.15 C ATOM 1145 CG LEU B2017 17.240 34.699 32.459 1.00 12.52 C ATOM 1146 CD1 LEU B2017 16.669 35.879 31.676 1.00 13.54 C ATOM 1147 CD2 LEU B2017 16.775 34.746 33.907 1.00 14.03 C ATOM 1148 N ARG B2018 19.473 34.005 29.662 1.00 10.18 N ATOM 1149 CA ARG B2018 20.926 34.136 29.647 1.00 10.45 C ATOM 1150 C ARG B2018 21.288 35.469 30.273 1.00 10.79 C ATOM 1151 O ARG B2018 20.807 36.518 29.845 1.00 10.20 O ATOM 1152 CB ARG B2018 21.460 34.079 28.215 1.00 12.92 C ATOM 1153 CG ARG B2018 21.148 32.781 27.494 1.00 16.12 C ATOM 1154 CD ARG B2018 21.610 32.820 26.048 1.00 16.44 C ATOM 1155 NE ARG B2018 21.044 31.712 25.287 1.00 22.64 N ATOM 1156 CZ ARG B2018 21.570 30.494 25.223 1.00 23.09 C ATOM 1157 NH1 ARG B2018 22.694 30.214 25.869 1.00 26.09 N ATOM 1158 NH2 ARG B2018 20.957 29.548 24.523 1.00 23.71 N ATOM 1159 N VAL B2019 22.132 35.425 31.295 1.00 10.31 N ATOM 1160 CA VAL B2019 22.543 36.636 31.978 1.00 11.26 C ATOM 1161 C VAL B2019 24.056 36.730 31.982 1.00 12.05 C ATOM 1162 O VAL B2019 24.739 35.834 32.470 1.00 12.36 O ATOM 1163 CB VAL B2019 22.046 36.651 33.433 1.00 11.98 C ATOM 1164 CG1 VAL B2019 22.463 37.951 34.110 1.00 12.44 C ATOM 1165 CG2 VAL B2019 20.536 36.480 33.465 1.00 13.08 C ATOM 1166 N ARG B2020 24.573 37.816 31.424 1.00 11.10 N ATOM 1167 CA ARG B2020 26.009 38.026 31.372 1.00 11.98 C ATOM 1168 C ARG B2020 26.316 39.257 32.201 1.00 11.45 C ATOM 1169 O ARG B2020 25.642 40.281 32.076 1.00 10.06 O ATOM 1170 CB ARG B2020 26.456 38.235 29.926 1.00 15.08 C ATOM 1171 CG ARG B2020 27.942 38.493 29.753 1.00 19.61 C ATOM 1172 CD ARG B2020 28.252 38.755 28.291 1.00 24.40 C ATOM 1173 NE ARG B2020 27.937 37.596 27.462 1.00 28.21 N ATOM 1174 CZ ARG B2020 27.766 37.644 26.146 1.00 31.21 C ATOM 1175 NH1 ARG B2020 27.875 38.801 25.505 1.00 33.02 N ATOM 1176 NH2 ARG B2020 27.490 36.536 25.469 1.00 32.64 N ATOM 1177 N GLY B2021 27.325 39.155 33.058 1.00 11.61 N ATOM 1178 CA GLY B2021 27.675 40.286 33.894 1.00 12.26 C ATOM 1179 C GLY B2021 29.130 40.292 34.305 1.00 13.08 C ATOM 1180 O GLY B2021 29.824 39.281 34.191 1.00 13.97 O ATOM 1181 N GLU B2022 29.589 41.440 34.785 1.00 13.20 N ATOM 1182 CA GLU B2022 30.968 41.592 35.223 1.00 14.36 C ATOM 1183 C GLU B2022 31.071 41.382 36.729 1.00 12.82 C ATOM 1184 O GLU B2022 30.385 42.045 37.506 1.00 12.65 O ATOM 1185 CB GLU B2022 31.481 42.990 34.865 1.00 16.64 C ATOM 1186 CG GLU B2022 31.481 43.288 33.375 1.00 20.13 C ATOM 1187 CD GLU B2022 31.844 44.731 33.064 1.00 22.91 C ATOM 1188 OE1 GLU B2022 31.903 45.081 31.868 1.00 25.25 O ATOM 1189 OE2 GLU B2022 32.069 45.514 34.012 1.00 26.03 O ATOM 1190 N VAL B2023 31.918 40.444 37.137 1.00 13.19 N ATOM 1191 CA VAL B2023 32.119 40.182 38.554 1.00 13.25 C ATOM 1192 C VAL B2023 33.096 41.245 39.059 1.00 13.63 C ATOM 1193 O VAL B2023 34.183 41.407 38.501 1.00 14.52 O ATOM 1194 CB VAL B2023 32.716 38.772 38.778 1.00 12.58 C ATOM 1195 CG1 VAL B2023 32.891 38.504 40.266 1.00 12.68 C ATOM 1196 CG2 VAL B2023 31.806 37.722 38.153 1.00 13.63 C ATOM 1197 N ALA B2024 32.702 41.981 40.095 1.00 14.32 N ATOM 1198 CA ALA B2024 33.551 43.032 40.653 1.00 16.06 C ATOM 1199 C ALA B2024 34.961 42.510 40.924 1.00 17.09 C ATOM 1200 O ALA B2024 35.140 41.390 41.402 1.00 16.81 O ATOM 1201 CB ALA B2024 32.937 43.577 41.941 1.00 15.28 C ATOM 1202 N PRO B2025 35.984 43.323 40.622 1.00 18.05 N ATOM 1203 CA PRO B2025 37.374 42.913 40.844 1.00 19.11 C ATOM 1204 C PRO B2025 37.699 42.561 42.297 1.00 19.90 C ATOM 1205 O PRO B2025 38.557 41.721 42.558 1.00 21.42 O ATOM 1206 CB PRO B2025 38.172 44.117 40.341 1.00 19.13 C ATOM 1207 CG PRO B2025 37.251 45.267 40.612 1.00 20.67 C ATOM 1208 CD PRO B2025 35.919 44.716 40.148 1.00 19.82 C ATOM 1209 N ASP B2026 37.011 43.198 43.238 1.00 19.81 N ATOM 1210 CA ASP B2026 37.254 42.943 44.656 1.00 22.16 C ATOM 1211 C ASP B2026 36.123 42.134 45.282 1.00 20.96 C ATOM 1212 O ASP B2026 35.963 42.114 46.502 1.00 21.17 O ATOM 1213 CB ASP B2026 37.399 44.272 45.398 1.00 25.96 C ATOM 1214 CG ASP B2026 36.112 45.072 45.408 1.00 29.25 C ATOM 1215 OD1 ASP B2026 35.458 45.168 44.345 1.00 31.90 O ATOM 1216 OD2 ASP B2026 35.755 45.609 46.477 1.00 32.44 O ATOM 1217 N ALA B2027 35.340 41.467 44.444 1.00 19.29 N ATOM 1218 CA ALA B2027 34.214 40.679 44.927 1.00 18.13 C ATOM 1219 C ALA B2027 34.628 39.484 45.778 1.00 16.70 C ATOM 1220 O ALA B2027 35.529 38.726 45.413 1.00 16.55 O ATOM 1221 CB ALA B2027 33.375 40.203 43.746 1.00 17.56 C ATOM 1222 N LYS B2028 33.974 39.329 46.924 1.00 14.75 N ATOM 1223 CA LYS B2028 34.250 38.198 47.799 1.00 14.87 C ATOM 1224 C LYS B2028 33.203 37.151 47.437 1.00 13.00 C ATOM 1225 O LYS B2028 33.319 35.980 47.786 1.00 9.79 O ATOM 1226 CB LYS B2028 34.112 38.596 49.270 1.00 16.95 C ATOM 1227 CG LYS B2028 34.990 39.771 49.686 1.00 21.47 C ATOM 1228 CD LYS B2028 36.437 39.593 49.243 1.00 24.52 C ATOM 1229 CE LYS B2028 37.087 38.378 49.885 1.00 28.07 C ATOM 1230 NZ LYS B2028 38.509 38.223 49.453 1.00 30.57 N ATOM 1231 N SER B2029 32.188 37.602 46.708 1.00 12.42 N ATOM 1232 CA SER B2029 31.094 36.750 46.260 1.00 11.86 C ATOM 1233 C SER B2029 30.152 37.616 45.436 1.00 11.35 C ATOM 1234 O SER B2029 30.328 38.829 45.358 1.00 12.62 O ATOM 1235 CB SER B2029 30.325 36.200 47.462 1.00 12.39 C ATOM 1236 OG SER B2029 29.603 37.236 48.113 1.00 12.65 O ATOM 1237 N PHE B2030 29.171 36.995 44.797 1.00 10.65 N ATOM 1238 CA PHE B2030 28.184 37.761 44.055 1.00 9.95 C ATOM 1239 C PHE B2030 26.890 36.970 44.063 1.00 9.98 C ATOM 1240 O PHE B2030 26.888 35.773 44.347 1.00 7.09 O ATOM 1241 CB PHE B2030 28.677 38.119 42.637 1.00 10.16 C ATOM 1242 CG PHE B2030 28.578 37.010 41.622 1.00 9.96 C ATOM 1243 CD1 PHE B2030 27.388 36.773 40.940 1.00 9.71 C ATOM 1244 CD2 PHE B2030 29.701 36.264 41.281 1.00 10.64 C ATOM 1245 CE1 PHE B2030 27.322 35.812 39.928 1.00 10.52 C ATOM 1246 CE2 PHE B2030 29.646 35.304 40.273 1.00 11.88 C ATOM 1247 CZ PHE B2030 28.452 35.080 39.593 1.00 10.33 C ATOM 1248 N VAL B2031 25.786 37.647 43.790 1.00 9.10 N ATOM 1249 CA VAL B2031 24.487 36.999 43.830 1.00 9.35 C ATOM 1250 C VAL B2031 23.600 37.365 42.662 1.00 9.05 C ATOM 1251 O VAL B2031 23.605 38.500 42.196 1.00 10.11 O ATOM 1252 CB VAL B2031 23.731 37.384 45.125 1.00 9.50 C ATOM 1253 CG1 VAL B2031 22.282 36.895 45.065 1.00 12.54 C ATOM 1254 CG2 VAL B2031 24.446 36.808 46.338 1.00 10.54 C ATOM 1255 N LEU B2032 22.844 36.378 42.198 1.00 9.15 N ATOM 1256 CA LEU B2032 21.880 36.564 41.128 1.00 10.08 C ATOM 1257 C LEU B2032 20.642 35.883 41.699 1.00 9.09 C ATOM 1258 O LEU B2032 20.651 34.677 41.928 1.00 8.66 O ATOM 1259 CB LEU B2032 22.316 35.843 39.851 1.00 11.37 C ATOM 1260 CG LEU B2032 21.913 36.459 38.503 1.00 15.71 C ATOM 1261 CD1 LEU B2032 21.551 35.343 37.536 1.00 13.22 C ATOM 1262 CD2 LEU B2032 20.748 37.424 38.661 1.00 16.29 C ATOM 1263 N ASN B2033 19.598 36.658 41.969 1.00 8.09 N ATOM 1264 CA ASN B2033 18.373 36.095 42.515 1.00 8.16 C ATOM 1265 C ASN B2033 17.287 36.026 41.460 1.00 9.12 C ATOM 1266 O ASN B2033 17.133 36.947 40.657 1.00 8.95 O ATOM 1267 CB ASN B2033 17.856 36.929 43.689 1.00 8.55 C ATOM 1268 CG ASN B2033 18.722 36.804 44.924 1.00 9.34 C ATOM 1269 OD1 ASN B2033 19.287 35.746 45.196 1.00 9.72 O ATOM 1270 ND2 ASN B2033 18.808 37.881 45.694 1.00 8.86 N ATOM 1271 N LEU B2034 16.541 34.925 41.477 1.00 7.95 N ATOM 1272 CA LEU B2034 15.438 34.706 40.550 1.00 8.65 C ATOM 1273 C LEU B2034 14.230 34.251 41.348 1.00 9.17 C ATOM 1274 O LEU B2034 14.361 33.490 42.307 1.00 8.29 O ATOM 1275 CB LEU B2034 15.783 33.621 39.525 1.00 11.08 C ATOM 1276 CG LEU B2034 16.894 33.891 38.506 1.00 11.31 C ATOM 1277 CD1 LEU B2034 17.138 32.626 37.697 1.00 13.80 C ATOM 1278 CD2 LEU B2034 16.506 35.036 37.587 1.00 14.78 C ATOM 1279 N GLY B2035 13.053 34.712 40.946 1.00 8.73 N ATOM 1280 CA GLY B2035 11.854 34.307 41.645 1.00 9.10 C ATOM 1281 C GLY B2035 10.626 35.115 41.287 1.00 11.09 C ATOM 1282 O GLY B2035 10.493 35.624 40.171 1.00 10.18 O ATOM 1283 N LYS B2036 9.721 35.211 42.253 1.00 10.51 N ATOM 1284 CA LYS B2036 8.472 35.950 42.102 1.00 13.32 C ATOM 1285 C LYS B2036 8.711 37.391 42.544 1.00 13.48 C ATOM 1286 O LYS B2036 8.209 38.333 41.934 1.00 15.08 O ATOM 1287 CB LYS B2036 7.394 35.309 42.977 1.00 15.99 C ATOM 1288 CG LYS B2036 6.013 35.930 42.845 1.00 20.70 C ATOM 1289 CD LYS B2036 5.176 35.677 44.097 1.00 25.63 C ATOM 1290 CE LYS B2036 5.101 34.201 44.457 1.00 27.50 C ATOM 1291 NZ LYS B2036 4.366 33.993 45.743 1.00 31.29 N ATOM 1292 N ASP B2037 9.469 37.545 43.623 1.00 12.47 N ATOM 1293 CA ASP B2037 9.814 38.854 44.163 1.00 13.46 C ATOM 1294 C ASP B2037 10.953 38.688 45.167 1.00 13.58 C ATOM 1295 O ASP B2037 11.429 37.577 45.391 1.00 12.20 O ATOM 1296 CB ASP B2037 8.602 39.520 44.832 1.00 14.38 C ATOM 1297 CG ASP B2037 8.016 38.687 45.953 1.00 16.41 C ATOM 1298 OD1 ASP B2037 8.794 38.114 46.744 1.00 12.58 O ATOM 1299 OD2 ASP B2037 6.772 38.620 46.050 1.00 17.33 O ATOM 1300 N SER B2038 11.383 39.784 45.779 1.00 14.15 N ATOM 1301 CA SER B2038 12.493 39.737 46.722 1.00 14.45 C ATOM 1302 C SER B2038 12.330 38.775 47.901 1.00 13.41 C ATOM 1303 O SER B2038 13.323 38.365 48.500 1.00 14.22 O ATOM 1304 CB SER B2038 12.783 41.143 47.255 1.00 15.67 C ATOM 1305 OG SER B2038 11.668 41.657 47.960 1.00 18.75 O ATOM 1306 N ASN B2039 11.095 38.411 48.236 1.00 13.56 N ATOM 1307 CA ASN B2039 10.860 37.508 49.368 1.00 12.44 C ATOM 1308 C ASN B2039 10.517 36.083 48.963 1.00 10.08 C ATOM 1309 O ASN B2039 10.321 35.217 49.813 1.00 10.30 O ATOM 1310 CB ASN B2039 9.741 38.055 50.253 1.00 14.16 C ATOM 1311 CG ASN B2039 10.084 39.398 50.855 1.00 16.20 C ATOM 1312 OD1 ASN B2039 11.140 39.563 51.458 1.00 18.38 O ATOM 1313 ND2 ASN B2039 9.186 40.365 50.702 1.00 20.39 N ATOM 1314 N ASN B2040 10.443 35.844 47.661 1.00 9.74 N ATOM 1315 CA ASN B2040 10.112 34.523 47.152 1.00 8.61 C ATOM 1316 C ASN B2040 11.039 34.215 45.987 1.00 9.10 C ATOM 1317 O ASN B2040 10.755 34.561 44.843 1.00 8.64 O ATOM 1318 CB ASN B2040 8.648 34.509 46.711 1.00 8.54 C ATOM 1319 CG ASN B2040 7.693 34.704 47.875 1.00 9.87 C ATOM 1320 OD1 ASN B2040 7.382 33.760 48.598 1.00 11.09 O ATOM 1321 ND2 ASN B2040 7.241 35.941 48.076 1.00 11.83 N ATOM 1322 N LEU B2041 12.155 33.561 46.295 1.00 7.50 N ATOM 1323 CA LEU B2041 13.150 33.234 45.288 1.00 7.74 C ATOM 1324 C LEU B2041 13.209 31.749 44.966 1.00 7.50 C ATOM 1325 O LEU B2041 13.378 30.920 45.861 1.00 6.01 O ATOM 1326 CB LEU B2041 14.528 33.695 45.771 1.00 7.87 C ATOM 1327 CG LEU B2041 14.672 35.152 46.222 1.00 9.87 C ATOM 1328 CD1 LEU B2041 16.058 35.362 46.824 1.00 10.07 C ATOM 1329 CD2 LEU B2041 14.439 36.090 45.039 1.00 7.65 C ATOM 1330 N CYS B2042 13.064 31.408 43.689 1.00 8.54 N ATOM 1331 CA CYS B2042 13.151 30.008 43.298 1.00 8.77 C ATOM 1332 C CYS B2042 14.638 29.685 43.206 1.00 8.98 C ATOM 1333 O CYS B2042 15.045 28.523 43.289 1.00 7.54 O ATOM 1334 CB CYS B2042 12.455 29.759 41.952 1.00 11.94 C ATOM 1335 SG CYS B2042 12.996 30.794 40.578 1.00 14.06 S ATOM 1336 N LEU B2043 15.452 30.726 43.060 1.00 8.30 N ATOM 1337 CA LEU B2043 16.891 30.533 42.970 1.00 8.62 C ATOM 1338 C LEU B2043 17.731 31.705 43.463 1.00 8.28 C ATOM 1339 O LEU B2043 17.672 32.811 42.923 1.00 8.66 O ATOM 1340 CB LEU B2043 17.304 30.203 41.533 1.00 7.71 C ATOM 1341 CG LEU B2043 18.818 29.996 41.368 1.00 8.78 C ATOM 1342 CD1 LEU B2043 19.236 28.718 42.090 1.00 11.39 C ATOM 1343 CD2 LEU B2043 19.183 29.916 39.898 1.00 9.29 C ATOM 1344 N HIS B2044 18.500 31.440 44.512 1.00 7.35 N ATOM 1345 CA HIS B2044 19.433 32.402 45.087 1.00 7.96 C ATOM 1346 C HIS B2044 20.761 31.783 44.647 1.00 9.06 C ATOM 1347 O HIS B2044 21.221 30.804 45.238 1.00 10.37 O ATOM 1348 CB HIS B2044 19.320 32.411 46.619 1.00 8.30 C ATOM 1349 CG HIS B2044 20.403 33.183 47.313 1.00 9.37 C ATOM 1350 ND1 HIS B2044 20.546 34.550 47.195 1.00 7.97 N ATOM 1351 CD2 HIS B2044 21.383 32.776 48.155 1.00 9.89 C ATOM 1352 CE1 HIS B2044 21.564 34.951 47.936 1.00 10.24 C ATOM 1353 NE2 HIS B2044 22.090 33.894 48.529 1.00 9.44 N ATOM 1354 N PHE B2045 21.333 32.331 43.578 1.00 7.52 N ATOM 1355 CA PHE B2045 22.588 31.845 43.001 1.00 7.65 C ATOM 1356 C PHE B2045 23.698 32.673 43.629 1.00 6.96 C ATOM 1357 O PHE B2045 23.827 33.862 43.344 1.00 8.47 O ATOM 1358 CB PHE B2045 22.552 32.043 41.484 1.00 7.80 C ATOM 1359 CG PHE B2045 23.741 31.476 40.771 1.00 7.68 C ATOM 1360 CD1 PHE B2045 23.928 30.098 40.686 1.00 7.22 C ATOM 1361 CD2 PHE B2045 24.678 32.320 40.186 1.00 7.87 C ATOM 1362 CE1 PHE B2045 25.038 29.567 40.023 1.00 8.60 C ATOM 1363 CE2 PHE B2045 25.792 31.800 39.522 1.00 8.09 C ATOM 1364 CZ PHE B2045 25.970 30.422 39.441 1.00 9.33 C ATOM 1365 N ASN B2046 24.516 32.028 44.456 1.00 6.38 N ATOM 1366 CA ASN B2046 25.544 32.731 45.215 1.00 6.76 C ATOM 1367 C ASN B2046 26.969 32.171 45.150 1.00 6.48 C ATOM 1368 O ASN B2046 27.389 31.428 46.039 1.00 6.80 O ATOM 1369 CB ASN B2046 25.055 32.772 46.675 1.00 6.84 C ATOM 1370 CG ASN B2046 25.982 33.517 47.618 1.00 7.99 C ATOM 1371 OD1 ASN B2046 25.918 33.309 48.834 1.00 8.47 O ATOM 1372 ND2 ASN B2046 26.820 34.399 47.087 1.00 7.66 N ATOM 1373 N PRO B2047 27.721 32.500 44.085 1.00 6.82 N ATOM 1374 CA PRO B2047 29.092 31.997 44.000 1.00 8.18 C ATOM 1375 C PRO B2047 29.916 32.743 45.047 1.00 8.26 C ATOM 1376 O PRO B2047 29.952 33.978 45.061 1.00 8.94 O ATOM 1377 CB PRO B2047 29.506 32.356 42.575 1.00 8.38 C ATOM 1378 CG PRO B2047 28.214 32.289 41.830 1.00 8.02 C ATOM 1379 CD PRO B2047 27.275 33.004 42.773 1.00 6.61 C ATOM 1380 N ARG B2048 30.564 31.995 45.929 1.00 8.41 N ATOM 1381 CA ARG B2048 31.371 32.599 46.977 1.00 8.05 C ATOM 1382 C ARG B2048 32.856 32.355 46.766 1.00 7.86 C ATOM 1383 O ARG B2048 33.304 31.210 46.757 1.00 8.62 O ATOM 1384 CB ARG B2048 30.952 32.043 48.340 1.00 8.43 C ATOM 1385 CG ARG B2048 29.506 32.342 48.690 1.00 7.79 C ATOM 1386 CD ARG B2048 29.113 31.748 50.031 1.00 9.53 C ATOM 1387 NE ARG B2048 27.738 32.105 50.367 1.00 9.27 N ATOM 1388 CZ ARG B2048 27.068 31.627 51.409 1.00 12.29 C ATOM 1389 NH1 ARG B2048 27.645 30.760 52.231 1.00 11.09 N ATOM 1390 NH2 ARG B2048 25.816 32.015 51.624 1.00 11.42 N ATOM 1391 N PHE B2049 33.613 33.434 46.589 1.00 8.25 N ATOM 1392 CA PHE B2049 35.055 33.327 46.407 1.00 8.28 C ATOM 1393 C PHE B2049 35.659 33.115 47.790 1.00 8.77 C ATOM 1394 O PHE B2049 36.396 32.154 48.027 1.00 7.82 O ATOM 1395 CB PHE B2049 35.596 34.605 45.761 1.00 7.46 C ATOM 1396 CG PHE B2049 35.020 34.874 44.403 1.00 9.07 C ATOM 1397 CD1 PHE B2049 33.996 35.796 44.238 1.00 10.20 C ATOM 1398 CD2 PHE B2049 35.474 34.168 43.291 1.00 8.16 C ATOM 1399 CE1 PHE B2049 33.425 36.010 42.985 1.00 10.37 C ATOM 1400 CE2 PHE B2049 34.908 34.373 42.036 1.00 11.22 C ATOM 1401 CZ PHE B2049 33.882 35.297 41.883 1.00 11.06 C ATOM 1402 N ASN B2050 35.321 34.023 48.698 1.00 9.16 N ATOM 1403 CA ASN B2050 35.753 33.960 50.088 1.00 11.18 C ATOM 1404 C ASN B2050 34.722 34.755 50.869 1.00 11.72 C ATOM 1405 O ASN B2050 34.896 35.948 51.103 1.00 12.04 O ATOM 1406 CB ASN B2050 37.137 34.586 50.284 1.00 11.95 C ATOM 1407 CG ASN B2050 37.608 34.516 51.733 1.00 15.29 C ATOM 1408 OD1 ASN B2050 38.653 35.066 52.089 1.00 16.64 O ATOM 1409 ND2 ASN B2050 36.835 33.834 52.575 1.00 14.63 N ATOM 1410 N ALA B2051 33.636 34.096 51.255 1.00 11.10 N ATOM 1411 CA ALA B2051 32.581 34.771 51.998 1.00 10.68 C ATOM 1412 C ALA B2051 31.792 33.802 52.864 1.00 11.26 C ATOM 1413 O ALA B2051 31.625 32.634 52.512 1.00 10.59 O ATOM 1414 CB ALA B2051 31.643 35.481 51.028 1.00 11.21 C ATOM 1415 N HIS B2052 31.320 34.303 54.001 1.00 10.65 N ATOM 1416 CA HIS B2052 30.528 33.517 54.936 1.00 11.23 C ATOM 1417 C HIS B2052 31.203 32.215 55.348 1.00 10.09 C ATOM 1418 O HIS B2052 30.533 31.226 55.638 1.00 12.09 O ATOM 1419 CB HIS B2052 29.157 33.218 54.324 1.00 15.06 C ATOM 1420 CG HIS B2052 28.415 34.442 53.893 1.00 20.42 C ATOM 1421 ND1 HIS B2052 27.941 35.378 54.787 1.00 24.19 N ATOM 1422 CD2 HIS B2052 28.091 34.900 52.661 1.00 21.90 C ATOM 1423 CE1 HIS B2052 27.359 36.361 54.124 1.00 24.73 C ATOM 1424 NE2 HIS B2052 27.437 36.095 52.833 1.00 25.11 N ATOM 1425 N GLY B2053 32.530 32.221 55.369 1.00 9.57 N ATOM 1426 CA GLY B2053 33.268 31.034 55.758 1.00 11.05 C ATOM 1427 C GLY B2053 33.510 30.023 54.652 1.00 11.66 C ATOM 1428 O GLY B2053 34.135 28.988 54.889 1.00 12.93 O ATOM 1429 N ASP B2054 33.016 30.309 53.450 1.00 9.97 N ATOM 1430 CA ASP B2054 33.196 29.404 52.320 1.00 9.85 C ATOM 1431 C ASP B2054 34.222 29.955 51.344 1.00 10.73 C ATOM 1432 O ASP B2054 34.425 31.168 51.263 1.00 10.69 O ATOM 1433 CB ASP B2054 31.879 29.197 51.565 1.00 10.68 C ATOM 1434 CG ASP B2054 30.811 28.541 52.411 1.00 11.18 C ATOM 1435 OD1 ASP B2054 31.164 27.774 53.333 1.00 9.99 O ATOM 1436 OD2 ASP B2054 29.615 28.783 52.138 1.00 8.49 O ATOM 1437 N ALA B2055 34.865 29.059 50.603 1.00 8.88 N ATOM 1438 CA ALA B2055 35.853 29.459 49.611 1.00 8.58 C ATOM 1439 C ALA B2055 35.541 28.769 48.287 1.00 8.07 C ATOM 1440 O ALA B2055 35.301 27.560 48.254 1.00 9.05 O ATOM 1441 CB ALA B2055 37.253 29.086 50.080 1.00 9.39 C ATOM 1442 N ASN B2056 35.532 29.548 47.209 1.00 7.99 N ATOM 1443 CA ASN B2056 35.263 29.044 45.866 1.00 8.98 C ATOM 1444 C ASN B2056 34.205 27.955 45.833 1.00 8.83 C ATOM 1445 O ASN B2056 34.452 26.828 45.398 1.00 9.82 O ATOM 1446 CB ASN B2056 36.560 28.541 45.234 1.00 11.47 C ATOM 1447 CG ASN B2056 37.635 29.601 45.230 1.00 14.12 C ATOM 1448 OD1 ASN B2056 37.360 30.763 44.945 1.00 13.16 O ATOM 1449 ND2 ASN B2056 38.866 29.211 45.547 1.00 21.09 N ATOM 1450 N THR B2057 33.014 28.311 46.294 1.00 8.50 N ATOM 1451 CA THR B2057 31.901 27.383 46.325 1.00 7.64 C ATOM 1452 C THR B2057 30.638 28.102 45.880 1.00 7.68 C ATOM 1453 O THR B2057 30.361 29.218 46.317 1.00 7.13 O ATOM 1454 CB THR B2057 31.663 26.838 47.750 1.00 9.74 C ATOM 1455 OG1 THR B2057 32.839 26.163 48.207 1.00 9.71 O ATOM 1456 CG2 THR B2057 30.486 25.861 47.763 1.00 8.72 C ATOM 1457 N ILE B2058 29.880 27.465 44.998 1.00 6.75 N ATOM 1458 CA ILE B2058 28.630 28.049 44.549 1.00 6.09 C ATOM 1459 C ILE B2058 27.580 27.558 45.527 1.00 6.08 C ATOM 1460 O ILE B2058 27.409 26.352 45.701 1.00 5.85 O ATOM 1461 CB ILE B2058 28.228 27.567 43.146 1.00 6.27 C ATOM 1462 CG1 ILE B2058 29.277 27.992 42.116 1.00 6.47 C ATOM 1463 CG2 ILE B2058 26.865 28.144 42.783 1.00 6.19 C ATOM 1464 CD1 ILE B2058 28.995 27.471 40.713 1.00 10.37 C ATOM 1465 N VAL B2059 26.896 28.489 46.178 1.00 5.78 N ATOM 1466 CA VAL B2059 25.842 28.138 47.120 1.00 5.85 C ATOM 1467 C VAL B2059 24.512 28.549 46.505 1.00 6.63 C ATOM 1468 O VAL B2059 24.356 29.685 46.061 1.00 6.24 O ATOM 1469 CB VAL B2059 26.005 28.885 48.464 1.00 7.51 C ATOM 1470 CG1 VAL B2059 24.900 28.463 49.435 1.00 9.17 C ATOM 1471 CG2 VAL B2059 27.373 28.595 49.062 1.00 7.98 C ATOM 1472 N CYS B2060 23.564 27.620 46.457 1.00 5.23 N ATOM 1473 CA CYS B2060 22.245 27.917 45.918 1.00 6.66 C ATOM 1474 C CYS B2060 21.225 27.667 47.007 1.00 5.50 C ATOM 1475 O CYS B2060 21.409 26.786 47.843 1.00 6.94 O ATOM 1476 CB CYS B2060 21.911 27.014 44.727 1.00 6.53 C ATOM 1477 SG CYS B2060 22.894 27.303 43.249 1.00 8.05 S ATOM 1478 N ASN B2061 20.156 28.449 47.006 1.00 5.93 N ATOM 1479 CA ASN B2061 19.100 28.250 47.983 1.00 6.20 C ATOM 1480 C ASN B2061 17.816 28.860 47.461 1.00 7.09 C ATOM 1481 O ASN B2061 17.812 29.573 46.458 1.00 6.76 O ATOM 1482 CB ASN B2061 19.457 28.883 49.335 1.00 8.40 C ATOM 1483 CG ASN B2061 18.712 28.233 50.496 1.00 7.76 C ATOM 1484 OD1 ASN B2061 17.889 27.340 50.296 1.00 6.35 O ATOM 1485 ND2 ASN B2061 19.003 28.675 51.715 1.00 5.35 N ATOM 1486 N SER B2062 16.723 28.549 48.141 1.00 7.16 N ATOM 1487 CA SER B2062 15.421 29.075 47.778 1.00 6.70 C ATOM 1488 C SER B2062 14.957 29.903 48.964 1.00 8.57 C ATOM 1489 O SER B2062 15.454 29.732 50.080 1.00 6.70 O ATOM 1490 CB SER B2062 14.441 27.930 47.532 1.00 6.35 C ATOM 1491 OG SER B2062 14.391 27.085 48.665 1.00 6.99 O ATOM 1492 N LYS B2063 14.014 30.803 48.712 1.00 7.47 N ATOM 1493 CA LYS B2063 13.459 31.662 49.750 1.00 8.23 C ATOM 1494 C LYS B2063 11.952 31.613 49.543 1.00 8.24 C ATOM 1495 O LYS B2063 11.456 32.034 48.504 1.00 8.45 O ATOM 1496 CB LYS B2063 13.978 33.089 49.572 1.00 9.21 C ATOM 1497 CG LYS B2063 13.741 34.000 50.758 1.00 12.23 C ATOM 1498 CD LYS B2063 14.321 35.378 50.476 1.00 14.68 C ATOM 1499 CE LYS B2063 14.283 36.265 51.701 1.00 20.27 C ATOM 1500 NZ LYS B2063 14.785 37.630 51.378 1.00 18.64 N ATOM 1501 N ASP B2064 11.229 31.093 50.528 1.00 8.84 N ATOM 1502 CA ASP B2064 9.782 30.956 50.411 1.00 9.49 C ATOM 1503 C ASP B2064 9.066 31.801 51.454 1.00 9.28 C ATOM 1504 O ASP B2064 9.201 31.562 52.652 1.00 8.65 O ATOM 1505 CB ASP B2064 9.409 29.478 50.561 1.00 12.40 C ATOM 1506 CG ASP B2064 8.008 29.170 50.071 1.00 15.57 C ATOM 1507 OD1 ASP B2064 7.672 27.971 49.970 1.00 18.18 O ATOM 1508 OD2 ASP B2064 7.246 30.119 49.795 1.00 16.05 O ATOM 1509 N ASP B2065 8.298 32.783 50.988 1.00 9.10 N ATOM 1510 CA ASP B2065 7.581 33.695 51.878 1.00 11.17 C ATOM 1511 C ASP B2065 8.558 34.193 52.939 1.00 10.64 C ATOM 1512 O ASP B2065 8.224 34.293 54.121 1.00 10.96 O ATOM 1513 CB ASP B2065 6.382 32.992 52.529 1.00 13.54 C ATOM 1514 CG ASP B2065 5.490 33.951 53.315 1.00 19.94 C ATOM 1515 OD1 ASP B2065 5.545 35.175 53.064 1.00 18.91 O ATOM 1516 OD2 ASP B2065 4.719 33.478 54.175 1.00 19.10 O ATOM 1517 N GLY B2066 9.780 34.476 52.494 1.00 8.29 N ATOM 1518 CA GLY B2066 10.813 34.981 53.379 1.00 8.41 C ATOM 1519 C GLY B2066 11.757 33.969 54.005 1.00 7.10 C ATOM 1520 O GLY B2066 12.869 34.323 54.383 1.00 9.03 O ATOM 1521 N ALA B2067 11.335 32.715 54.111 1.00 7.09 N ATOM 1522 CA ALA B2067 12.170 31.693 54.741 1.00 6.98 C ATOM 1523 C ALA B2067 13.191 31.028 53.823 1.00 6.17 C ATOM 1524 O ALA B2067 12.848 30.524 52.754 1.00 6.08 O ATOM 1525 CB ALA B2067 11.285 30.627 55.376 1.00 5.78 C ATOM 1526 N TRP B2068 14.449 31.014 54.255 1.00 7.44 N ATOM 1527 CA TRP B2068 15.502 30.382 53.472 1.00 7.10 C ATOM 1528 C TRP B2068 15.391 28.870 53.633 1.00 6.79 C ATOM 1529 O TRP B2068 15.154 28.369 54.737 1.00 8.64 O ATOM 1530 CB TRP B2068 16.887 30.851 53.941 1.00 8.90 C ATOM 1531 CG TRP B2068 17.237 32.248 53.507 1.00 9.36 C ATOM 1532 CD1 TRP B2068 17.350 33.359 54.301 1.00 10.43 C ATOM 1533 CD2 TRP B2068 17.519 32.679 52.173 1.00 10.41 C ATOM 1534 NE1 TRP B2068 17.685 34.455 53.539 1.00 11.97 N ATOM 1535 CE2 TRP B2068 17.795 34.065 52.229 1.00 10.81 C ATOM 1536 CE3 TRP B2068 17.562 32.029 50.932 1.00 9.17 C ATOM 1537 CZ2 TRP B2068 18.114 34.810 51.090 1.00 12.00 C ATOM 1538 CZ3 TRP B2068 17.880 32.773 49.799 1.00 9.86 C ATOM 1539 CH2 TRP B2068 18.150 34.147 49.887 1.00 10.15 C ATOM 1540 N GLY B2069 15.553 28.147 52.531 1.00 7.55 N ATOM 1541 CA GLY B2069 15.470 26.700 52.576 1.00 6.86 C ATOM 1542 C GLY B2069 16.821 26.080 52.869 1.00 7.78 C ATOM 1543 O GLY B2069 17.705 26.731 53.429 1.00 8.19 O ATOM 1544 N THR B2070 16.983 24.818 52.495 1.00 8.46 N ATOM 1545 CA THR B2070 18.244 24.123 52.710 1.00 8.71 C ATOM 1546 C THR B2070 19.163 24.400 51.531 1.00 7.18 C ATOM 1547 O THR B2070 18.816 24.123 50.383 1.00 7.70 O ATOM 1548 CB THR B2070 18.025 22.606 52.837 1.00 8.72 C ATOM 1549 OG1 THR B2070 17.201 22.344 53.977 1.00 7.36 O ATOM 1550 CG2 THR B2070 19.358 21.877 52.999 1.00 9.75 C ATOM 1551 N GLU B2071 20.333 24.952 51.820 1.00 7.99 N ATOM 1552 CA GLU B2071 21.296 25.271 50.778 1.00 7.21 C ATOM 1553 C GLU B2071 21.816 24.016 50.089 1.00 8.30 C ATOM 1554 O GLU B2071 21.811 22.926 50.658 1.00 8.28 O ATOM 1555 CB GLU B2071 22.493 26.029 51.370 1.00 8.50 C ATOM 1556 CG GLU B2071 22.133 27.306 52.116 1.00 9.11 C ATOM 1557 CD GLU B2071 23.329 27.924 52.825 1.00 11.31 C ATOM 1558 OE1 GLU B2071 24.275 27.181 53.165 1.00 9.99 O ATOM 1559 OE2 GLU B2071 23.315 29.149 53.060 1.00 11.81 O ATOM 1560 N GLN B2072 22.254 24.188 48.848 1.00 8.56 N ATOM 1561 CA GLN B2072 22.850 23.110 48.074 1.00 8.35 C ATOM 1562 C GLN B2072 24.116 23.725 47.497 1.00 8.01 C ATOM 1563 O GLN B2072 24.088 24.843 46.979 1.00 8.15 O ATOM 1564 CB GLN B2072 21.922 22.637 46.948 1.00 9.98 C ATOM 1565 CG GLN B2072 20.730 21.812 47.436 1.00 11.08 C ATOM 1566 CD GLN B2072 19.988 21.112 46.309 1.00 11.81 C ATOM 1567 OE1 GLN B2072 18.999 20.411 46.543 1.00 17.69 O ATOM 1568 NE2 GLN B2072 20.462 21.292 45.084 1.00 10.78 N ATOM 1569 N ARG B2073 25.232 23.017 47.623 1.00 7.14 N ATOM 1570 CA ARG B2073 26.499 23.518 47.105 1.00 6.82 C ATOM 1571 C ARG B2073 26.882 22.748 45.853 1.00 7.69 C ATOM 1572 O ARG B2073 26.681 21.537 45.772 1.00 8.50 O ATOM 1573 CB ARG B2073 27.582 23.413 48.187 1.00 6.27 C ATOM 1574 CG ARG B2073 27.410 24.477 49.265 1.00 6.20 C ATOM 1575 CD ARG B2073 28.338 24.305 50.456 1.00 5.89 C ATOM 1576 NE ARG B2073 28.367 25.530 51.252 1.00 6.52 N ATOM 1577 CZ ARG B2073 27.333 26.013 51.932 1.00 8.01 C ATOM 1578 NH1 ARG B2073 27.463 27.143 52.612 1.00 9.24 N ATOM 1579 NH2 ARG B2073 26.178 25.358 51.957 1.00 10.84 N ATOM 1580 N GLU B2074 27.434 23.456 44.873 1.00 7.11 N ATOM 1581 CA GLU B2074 27.796 22.828 43.615 1.00 7.24 C ATOM 1582 C GLU B2074 29.201 22.237 43.606 1.00 8.84 C ATOM 1583 O GLU B2074 30.043 22.593 44.422 1.00 8.31 O ATOM 1584 CB GLU B2074 27.612 23.829 42.482 1.00 7.78 C ATOM 1585 CG GLU B2074 26.236 24.515 42.502 1.00 9.21 C ATOM 1586 CD GLU B2074 25.077 23.531 42.646 1.00 11.69 C ATOM 1587 OE1 GLU B2074 25.142 22.444 42.038 1.00 10.41 O ATOM 1588 OE2 GLU B2074 24.091 23.848 43.355 1.00 9.92 O ATOM 1589 N ALA B2075 29.441 21.337 42.659 1.00 8.97 N ATOM 1590 CA ALA B2075 30.717 20.634 42.549 1.00 9.18 C ATOM 1591 C ALA B2075 31.851 21.367 41.841 1.00 8.67 C ATOM 1592 O ALA B2075 33.002 20.938 41.917 1.00 10.18 O ATOM 1593 CB ALA B2075 30.485 19.285 41.877 1.00 9.32 C ATOM 1594 N VAL B2076 31.537 22.460 41.155 1.00 8.50 N ATOM 1595 CA VAL B2076 32.553 23.212 40.420 1.00 9.00 C ATOM 1596 C VAL B2076 32.508 24.697 40.752 1.00 9.25 C ATOM 1597 O VAL B2076 31.586 25.163 41.422 1.00 9.34 O ATOM 1598 CB VAL B2076 32.363 23.047 38.888 1.00 8.71 C ATOM 1599 CG1 VAL B2076 32.395 21.568 38.509 1.00 10.17 C ATOM 1600 CG2 VAL B2076 31.044 23.676 38.455 1.00 9.40 C ATOM 1601 N PHE B2077 33.510 25.437 40.287 1.00 10.30 N ATOM 1602 CA PHE B2077 33.556 26.870 40.530 1.00 9.32 C ATOM 1603 C PHE B2077 34.285 27.602 39.409 1.00 11.29 C ATOM 1604 O PHE B2077 35.413 28.071 39.583 1.00 11.11 O ATOM 1605 CB PHE B2077 34.229 27.167 41.871 1.00 9.96 C ATOM 1606 CG PHE B2077 33.984 28.560 42.368 1.00 8.42 C ATOM 1607 CD1 PHE B2077 34.907 29.572 42.138 1.00 9.38 C ATOM 1608 CD2 PHE B2077 32.806 28.865 43.048 1.00 9.92 C ATOM 1609 CE1 PHE B2077 34.666 30.874 42.578 1.00 10.87 C ATOM 1610 CE2 PHE B2077 32.550 30.160 43.491 1.00 10.65 C ATOM 1611 CZ PHE B2077 33.485 31.169 43.256 1.00 10.36 C ATOM 1612 N PRO B2078 33.644 27.702 38.236 1.00 12.37 N ATOM 1613 CA PRO B2078 34.213 28.376 37.066 1.00 13.65 C ATOM 1614 C PRO B2078 33.969 29.883 37.094 1.00 13.46 C ATOM 1615 O PRO B2078 33.389 30.441 36.164 1.00 15.59 O ATOM 1616 CB PRO B2078 33.495 27.699 35.906 1.00 13.31 C ATOM 1617 CG PRO B2078 32.127 27.498 36.465 1.00 14.09 C ATOM 1618 CD PRO B2078 32.407 26.985 37.871 1.00 13.38 C ATOM 1619 N PHE B2079 34.397 30.530 38.173 1.00 12.43 N ATOM 1620 CA PHE B2079 34.234 31.971 38.317 1.00 13.00 C ATOM 1621 C PHE B2079 35.497 32.604 38.865 1.00 14.20 C ATOM 1622 O PHE B2079 36.268 31.959 39.568 1.00 14.00 O ATOM 1623 CB PHE B2079 33.072 32.304 39.258 1.00 12.52 C ATOM 1624 CG PHE B2079 31.737 31.880 38.740 1.00 10.60 C ATOM 1625 CD1 PHE B2079 31.157 30.689 39.162 1.00 12.32 C ATOM 1626 CD2 PHE B2079 31.068 32.660 37.803 1.00 10.01 C ATOM 1627 CE1 PHE B2079 29.926 30.277 38.651 1.00 12.45 C ATOM 1628 CE2 PHE B2079 29.842 32.259 37.287 1.00 12.19 C ATOM 1629 CZ PHE B2079 29.268 31.064 37.713 1.00 10.44 C ATOM 1630 N GLN B2080 35.695 33.873 38.533 1.00 16.10 N ATOM 1631 CA GLN B2080 36.858 34.616 38.998 1.00 19.57 C ATOM 1632 C GLN B2080 36.490 36.081 39.171 1.00 18.49 C ATOM 1633 O GLN B2080 35.780 36.651 38.346 1.00 18.27 O ATOM 1634 CB GLN B2080 37.999 34.511 37.996 1.00 24.36 C ATOM 1635 CG GLN B2080 37.760 35.254 36.709 1.00 32.10 C ATOM 1636 CD GLN B2080 38.297 34.511 35.516 1.00 35.40 C ATOM 1637 OE1 GLN B2080 37.569 33.795 34.836 1.00 40.51 O ATOM 1638 NE2 GLN B2080 39.589 34.675 35.253 1.00 38.06 N ATOM 1639 N PRO B2081 36.955 36.709 40.268 1.00 18.31 N ATOM 1640 CA PRO B2081 36.643 38.123 40.494 1.00 17.37 C ATOM 1641 C PRO B2081 37.223 38.938 39.339 1.00 17.74 C ATOM 1642 O PRO B2081 38.215 38.534 38.736 1.00 16.91 O ATOM 1643 CB PRO B2081 37.349 38.425 41.815 1.00 17.97 C ATOM 1644 CG PRO B2081 37.356 37.090 42.515 1.00 18.24 C ATOM 1645 CD PRO B2081 37.717 36.150 41.397 1.00 17.65 C ATOM 1646 N GLY B2082 36.593 40.064 39.022 1.00 17.04 N ATOM 1647 CA GLY B2082 37.082 40.910 37.947 1.00 20.09 C ATOM 1648 C GLY B2082 37.078 40.296 36.559 1.00 20.71 C ATOM 1649 O GLY B2082 38.034 40.454 35.800 1.00 22.41 O ATOM 1650 N SER B2083 36.004 39.593 36.219 1.00 20.30 N ATOM 1651 CA SER B2083 35.890 38.976 34.904 1.00 20.46 C ATOM 1652 C SER B2083 34.424 38.893 34.515 1.00 20.16 C ATOM 1653 O SER B2083 33.540 39.022 35.363 1.00 20.36 O ATOM 1654 CB SER B2083 36.496 37.571 34.911 1.00 22.59 C ATOM 1655 OG SER B2083 35.774 36.712 35.776 1.00 25.88 O ATOM 1656 N VAL B2084 34.174 38.684 33.228 1.00 17.56 N ATOM 1657 CA VAL B2084 32.816 38.572 32.727 1.00 18.36 C ATOM 1658 C VAL B2084 32.375 37.121 32.833 1.00 17.65 C ATOM 1659 O VAL B2084 33.113 36.204 32.464 1.00 18.16 O ATOM 1660 CB VAL B2084 32.720 39.024 31.257 1.00 18.64 C ATOM 1661 CG1 VAL B2084 31.310 38.800 30.732 1.00 20.33 C ATOM 1662 CG2 VAL B2084 33.099 40.494 31.145 1.00 21.48 C ATOM 1663 N ALA B2085 31.170 36.920 33.349 1.00 16.02 N ATOM 1664 CA ALA B2085 30.633 35.581 33.514 1.00 14.71 C ATOM 1665 C ALA B2085 29.200 35.546 33.021 1.00 13.16 C ATOM 1666 O ALA B2085 28.433 36.478 33.252 1.00 12.78 O ATOM 1667 CB ALA B2085 30.685 35.176 34.977 1.00 15.31 C ATOM 1668 N GLU B2086 28.848 34.468 32.334 1.00 12.71 N ATOM 1669 CA GLU B2086 27.494 34.317 31.835 1.00 12.95 C ATOM 1670 C GLU B2086 26.912 33.019 32.355 1.00 12.68 C ATOM 1671 O GLU B2086 27.600 32.000 32.425 1.00 12.89 O ATOM 1672 CB GLU B2086 27.477 34.316 30.304 1.00 12.45 C ATOM 1673 CG GLU B2086 26.084 34.125 29.709 1.00 15.06 C ATOM 1674 CD GLU B2086 26.055 34.309 28.203 1.00 17.97 C ATOM 1675 OE1 GLU B2086 25.059 33.899 27.573 1.00 18.66 O ATOM 1676 OE2 GLU B2086 27.024 34.871 27.650 1.00 19.85 O ATOM 1677 N VAL B2087 25.648 33.070 32.755 1.00 11.64 N ATOM 1678 CA VAL B2087 24.970 31.884 33.244 1.00 11.37 C ATOM 1679 C VAL B2087 23.673 31.774 32.463 1.00 12.07 C ATOM 1680 O VAL B2087 23.090 32.780 32.057 1.00 11.84 O ATOM 1681 CB VAL B2087 24.671 31.966 34.762 1.00 13.68 C ATOM 1682 CG1 VAL B2087 25.981 32.053 35.537 1.00 12.64 C ATOM 1683 CG2 VAL B2087 23.789 33.163 35.068 1.00 13.29 C ATOM 1684 N CYS B2088 23.239 30.545 32.231 1.00 11.08 N ATOM 1685 CA CYS B2088 22.021 30.308 31.486 1.00 11.85 C ATOM 1686 C CYS B2088 21.088 29.495 32.369 1.00 11.97 C ATOM 1687 O CYS B2088 21.460 28.434 32.873 1.00 13.32 O ATOM 1688 CB CYS B2088 22.358 29.584 30.181 1.00 14.01 C ATOM 1689 SG CYS B2088 23.493 30.555 29.142 1.00 15.68 S ATOM 1690 N ILE B2089 19.883 30.009 32.577 1.00 11.59 N ATOM 1691 CA ILE B2089 18.919 29.330 33.428 1.00 11.01 C ATOM 1692 C ILE B2089 17.624 28.988 32.708 1.00 11.37 C ATOM 1693 O ILE B2089 17.110 29.772 31.913 1.00 9.87 O ATOM 1694 CB ILE B2089 18.556 30.189 34.673 1.00 12.64 C ATOM 1695 CG1 ILE B2089 19.811 30.506 35.489 1.00 13.73 C ATOM 1696 CG2 ILE B2089 17.553 29.451 35.544 1.00 12.27 C ATOM 1697 CD1 ILE B2089 20.551 31.736 35.020 1.00 18.51 C ATOM 1698 N THR B2090 17.108 27.801 32.997 1.00 10.85 N ATOM 1699 CA THR B2090 15.849 27.350 32.426 1.00 11.57 C ATOM 1700 C THR B2090 15.174 26.578 33.552 1.00 11.59 C ATOM 1701 O THR B2090 15.818 26.237 34.549 1.00 9.84 O ATOM 1702 CB THR B2090 16.066 26.424 31.212 1.00 13.18 C ATOM 1703 OG1 THR B2090 14.801 26.127 30.608 1.00 19.66 O ATOM 1704 CG2 THR B2090 16.739 25.127 31.637 1.00 12.68 C ATOM 1705 N PHE B2091 13.884 26.307 33.418 1.00 10.13 N ATOM 1706 CA PHE B2091 13.208 25.577 34.476 1.00 10.03 C ATOM 1707 C PHE B2091 11.949 24.872 34.013 1.00 11.17 C ATOM 1708 O PHE B2091 11.410 25.155 32.942 1.00 11.36 O ATOM 1709 CB PHE B2091 12.837 26.526 35.622 1.00 8.97 C ATOM 1710 CG PHE B2091 11.670 27.433 35.309 1.00 11.37 C ATOM 1711 CD1 PHE B2091 11.833 28.546 34.492 1.00 11.97 C ATOM 1712 CD2 PHE B2091 10.400 27.152 35.813 1.00 11.28 C ATOM 1713 CE1 PHE B2091 10.748 29.372 34.174 1.00 13.26 C ATOM 1714 CE2 PHE B2091 9.305 27.971 35.502 1.00 12.13 C ATOM 1715 CZ PHE B2091 9.482 29.081 34.682 1.00 12.08 C ATOM 1716 N ASP B2092 11.513 23.926 34.833 1.00 11.00 N ATOM 1717 CA ASP B2092 10.276 23.197 34.606 1.00 13.14 C ATOM 1718 C ASP B2092 9.688 23.141 36.008 1.00 14.16 C ATOM 1719 O ASP B2092 10.282 23.684 36.941 1.00 12.27 O ATOM 1720 CB ASP B2092 10.518 21.789 34.029 1.00 15.02 C ATOM 1721 CG ASP B2092 11.459 20.948 34.869 1.00 15.71 C ATOM 1722 OD1 ASP B2092 11.262 20.855 36.097 1.00 15.27 O ATOM 1723 OD2 ASP B2092 12.393 20.360 34.288 1.00 19.93 O ATOM 1724 N GLN B2093 8.537 22.504 36.170 1.00 14.77 N ATOM 1725 CA GLN B2093 7.900 22.442 37.479 1.00 16.18 C ATOM 1726 C GLN B2093 8.731 21.805 38.590 1.00 14.02 C ATOM 1727 O GLN B2093 8.594 22.176 39.757 1.00 13.45 O ATOM 1728 CB GLN B2093 6.546 21.725 37.371 1.00 20.17 C ATOM 1729 CG GLN B2093 6.526 20.514 36.442 1.00 26.64 C ATOM 1730 CD GLN B2093 7.328 19.335 36.962 1.00 30.18 C ATOM 1731 OE1 GLN B2093 7.024 18.776 38.019 1.00 31.22 O ATOM 1732 NE2 GLN B2093 8.357 18.945 36.214 1.00 31.74 N ATOM 1733 N ALA B2094 9.603 20.869 38.230 1.00 11.98 N ATOM 1734 CA ALA B2094 10.412 20.169 39.220 1.00 10.95 C ATOM 1735 C ALA B2094 11.764 20.787 39.553 1.00 10.24 C ATOM 1736 O ALA B2094 12.134 20.882 40.726 1.00 10.19 O ATOM 1737 CB ALA B2094 10.615 18.724 38.783 1.00 11.90 C ATOM 1738 N ASN B2095 12.502 21.201 38.530 1.00 10.38 N ATOM 1739 CA ASN B2095 13.833 21.757 38.750 1.00 9.85 C ATOM 1740 C ASN B2095 14.203 22.920 37.857 1.00 10.04 C ATOM 1741 O ASN B2095 13.640 23.109 36.776 1.00 9.52 O ATOM 1742 CB ASN B2095 14.903 20.686 38.506 1.00 9.82 C ATOM 1743 CG ASN B2095 14.773 19.494 39.421 1.00 11.47 C ATOM 1744 OD1 ASN B2095 15.168 19.544 40.586 1.00 11.28 O ATOM 1745 ND2 ASN B2095 14.222 18.405 38.894 1.00 9.21 N ATOM 1746 N LEU B2096 15.175 23.691 38.331 1.00 8.33 N ATOM 1747 CA LEU B2096 15.733 24.773 37.551 1.00 7.75 C ATOM 1748 C LEU B2096 17.041 24.156 37.084 1.00 8.28 C ATOM 1749 O LEU B2096 17.635 23.340 37.792 1.00 8.70 O ATOM 1750 CB LEU B2096 16.035 26.009 38.402 1.00 8.75 C ATOM 1751 CG LEU B2096 14.850 26.917 38.728 1.00 10.55 C ATOM 1752 CD1 LEU B2096 14.198 26.442 40.008 1.00 13.28 C ATOM 1753 CD2 LEU B2096 15.322 28.358 38.877 1.00 12.56 C ATOM 1754 N THR B2097 17.473 24.513 35.887 1.00 7.81 N ATOM 1755 CA THR B2097 18.727 24.002 35.362 1.00 7.33 C ATOM 1756 C THR B2097 19.595 25.226 35.137 1.00 8.86 C ATOM 1757 O THR B2097 19.187 26.168 34.457 1.00 8.79 O ATOM 1758 CB THR B2097 18.523 23.260 34.029 1.00 10.12 C ATOM 1759 OG1 THR B2097 17.683 22.117 34.243 1.00 8.61 O ATOM 1760 CG2 THR B2097 19.866 22.802 33.461 1.00 9.12 C ATOM 1761 N VAL B2098 20.783 25.216 35.728 1.00 8.65 N ATOM 1762 CA VAL B2098 21.709 26.331 35.611 1.00 7.59 C ATOM 1763 C VAL B2098 22.961 25.883 34.872 1.00 7.98 C ATOM 1764 O VAL B2098 23.618 24.927 35.277 1.00 7.63 O ATOM 1765 CB VAL B2098 22.122 26.856 37.006 1.00 8.57 C ATOM 1766 CG1 VAL B2098 23.113 27.994 36.864 1.00 7.62 C ATOM 1767 CG2 VAL B2098 20.883 27.310 37.781 1.00 9.58 C ATOM 1768 N LYS B2099 23.279 26.570 33.781 1.00 7.29 N ATOM 1769 CA LYS B2099 24.461 26.242 33.004 1.00 8.14 C ATOM 1770 C LYS B2099 25.483 27.337 33.269 1.00 8.39 C ATOM 1771 O LYS B2099 25.173 28.525 33.176 1.00 10.20 O ATOM 1772 CB LYS B2099 24.107 26.168 31.523 1.00 9.87 C ATOM 1773 CG LYS B2099 25.198 25.582 30.656 1.00 13.44 C ATOM 1774 CD LYS B2099 24.636 25.269 29.279 1.00 15.52 C ATOM 1775 CE LYS B2099 25.670 24.635 28.388 1.00 18.56 C ATOM 1776 NZ LYS B2099 25.081 24.327 27.060 1.00 16.44 N ATOM 1777 N LEU B2100 26.702 26.931 33.595 1.00 7.19 N ATOM 1778 CA LEU B2100 27.762 27.873 33.934 1.00 9.29 C ATOM 1779 C LEU B2100 28.674 28.253 32.774 1.00 10.18 C ATOM 1780 O LEU B2100 28.557 27.712 31.674 1.00 10.66 O ATOM 1781 CB LEU B2100 28.590 27.286 35.081 1.00 6.69 C ATOM 1782 CG LEU B2100 27.729 26.889 36.280 1.00 8.53 C ATOM 1783 CD1 LEU B2100 28.586 26.201 37.333 1.00 8.05 C ATOM 1784 CD2 LEU B2100 27.051 28.132 36.849 1.00 8.40 C ATOM 1785 N PRO B2101 29.591 29.207 33.007 1.00 11.01 N ATOM 1786 CA PRO B2101 30.524 29.654 31.968 1.00 13.13 C ATOM 1787 C PRO B2101 31.332 28.512 31.349 1.00 14.62 C ATOM 1788 O PRO B2101 31.692 28.567 30.175 1.00 17.54 O ATOM 1789 CB PRO B2101 31.416 30.642 32.714 1.00 12.58 C ATOM 1790 CG PRO B2101 30.469 31.253 33.703 1.00 12.15 C ATOM 1791 CD PRO B2101 29.721 30.043 34.217 1.00 12.05 C ATOM 1792 N ASP B2102 31.612 27.483 32.141 1.00 14.91 N ATOM 1793 CA ASP B2102 32.391 26.341 31.670 1.00 16.17 C ATOM 1794 C ASP B2102 31.558 25.281 30.953 1.00 16.75 C ATOM 1795 O ASP B2102 32.064 24.203 30.637 1.00 17.53 O ATOM 1796 CB ASP B2102 33.139 25.695 32.845 1.00 17.58 C ATOM 1797 CG ASP B2102 32.200 25.112 33.883 1.00 18.98 C ATOM 1798 OD1 ASP B2102 30.988 25.404 33.817 1.00 18.11 O ATOM 1799 OD2 ASP B2102 32.672 24.368 34.772 1.00 21.78 O ATOM 1800 N GLY B2103 30.288 25.584 30.692 1.00 14.71 N ATOM 1801 CA GLY B2103 29.425 24.627 30.017 1.00 12.88 C ATOM 1802 C GLY B2103 28.831 23.590 30.957 1.00 12.82 C ATOM 1803 O GLY B2103 27.997 22.778 30.555 1.00 11.03 O ATOM 1804 N TYR B2104 29.272 23.610 32.210 1.00 10.22 N ATOM 1805 CA TYR B2104 28.775 22.679 33.218 1.00 9.46 C ATOM 1806 C TYR B2104 27.376 23.110 33.629 1.00 8.60 C ATOM 1807 O TYR B2104 27.123 24.296 33.814 1.00 9.00 O ATOM 1808 CB TYR B2104 29.682 22.706 34.447 1.00 10.18 C ATOM 1809 CG TYR B2104 29.216 21.838 35.599 1.00 10.29 C ATOM 1810 CD1 TYR B2104 29.601 20.498 35.692 1.00 10.60 C ATOM 1811 CD2 TYR B2104 28.420 22.364 36.616 1.00 10.63 C ATOM 1812 CE1 TYR B2104 29.213 19.709 36.773 1.00 10.81 C ATOM 1813 CE2 TYR B2104 28.024 21.585 37.699 1.00 9.97 C ATOM 1814 CZ TYR B2104 28.427 20.261 37.775 1.00 12.09 C ATOM 1815 OH TYR B2104 28.068 19.504 38.865 1.00 12.82 O ATOM 1816 N GLU B2105 26.462 22.156 33.768 1.00 8.50 N ATOM 1817 CA GLU B2105 25.107 22.504 34.176 1.00 8.98 C ATOM 1818 C GLU B2105 24.626 21.602 35.301 1.00 9.17 C ATOM 1819 O GLU B2105 24.931 20.409 35.333 1.00 10.23 O ATOM 1820 CB GLU B2105 24.138 22.411 32.996 1.00 9.38 C ATOM 1821 CG GLU B2105 23.849 20.995 32.541 1.00 8.91 C ATOM 1822 CD GLU B2105 22.693 20.922 31.558 1.00 9.76 C ATOM 1823 OE1 GLU B2105 22.248 19.796 31.255 1.00 10.84 O ATOM 1824 OE2 GLU B2105 22.232 21.986 31.091 1.00 11.66 O ATOM 1825 N PHE B2106 23.882 22.185 36.232 1.00 8.77 N ATOM 1826 CA PHE B2106 23.351 21.429 37.356 1.00 8.45 C ATOM 1827 C PHE B2106 21.902 21.819 37.574 1.00 8.03 C ATOM 1828 O PHE B2106 21.420 22.800 37.004 1.00 7.92 O ATOM 1829 CB PHE B2106 24.147 21.713 38.634 1.00 7.62 C ATOM 1830 CG PHE B2106 24.062 23.142 39.101 1.00 8.48 C ATOM 1831 CD1 PHE B2106 24.940 24.103 38.608 1.00 8.24 C ATOM 1832 CD2 PHE B2106 23.088 23.530 40.019 1.00 7.56 C ATOM 1833 CE1 PHE B2106 24.850 25.434 39.023 1.00 9.64 C ATOM 1834 CE2 PHE B2106 22.990 24.854 40.438 1.00 8.77 C ATOM 1835 CZ PHE B2106 23.874 25.809 39.939 1.00 8.78 C ATOM 1836 N LYS B2107 21.206 21.046 38.399 1.00 7.33 N ATOM 1837 CA LYS B2107 19.817 21.340 38.691 1.00 7.89 C ATOM 1838 C LYS B2107 19.607 21.705 40.148 1.00 8.07 C ATOM 1839 O LYS B2107 20.326 21.242 41.032 1.00 9.46 O ATOM 1840 CB LYS B2107 18.922 20.147 38.346 1.00 9.87 C ATOM 1841 CG LYS B2107 18.816 19.862 36.861 1.00 10.68 C ATOM 1842 CD LYS B2107 17.694 18.871 36.592 1.00 13.13 C ATOM 1843 CE LYS B2107 17.506 18.639 35.101 1.00 14.36 C ATOM 1844 NZ LYS B2107 16.368 17.715 34.843 1.00 13.72 N ATOM 1845 N PHE B2108 18.619 22.559 40.378 1.00 6.90 N ATOM 1846 CA PHE B2108 18.248 22.985 41.719 1.00 7.01 C ATOM 1847 C PHE B2108 16.741 22.795 41.750 1.00 7.63 C ATOM 1848 O PHE B2108 16.037 23.226 40.827 1.00 7.15 O ATOM 1849 CB PHE B2108 18.591 24.458 41.951 1.00 6.52 C ATOM 1850 CG PHE B2108 18.319 24.921 43.355 1.00 7.34 C ATOM 1851 CD1 PHE B2108 19.113 24.478 44.411 1.00 8.40 C ATOM 1852 CD2 PHE B2108 17.253 25.772 43.628 1.00 8.32 C ATOM 1853 CE1 PHE B2108 18.845 24.876 45.728 1.00 8.66 C ATOM 1854 CE2 PHE B2108 16.974 26.178 44.937 1.00 7.54 C ATOM 1855 CZ PHE B2108 17.772 25.727 45.990 1.00 7.88 C ATOM 1856 N PRO B2109 16.219 22.139 42.798 1.00 7.55 N ATOM 1857 CA PRO B2109 14.773 21.913 42.884 1.00 6.95 C ATOM 1858 C PRO B2109 13.953 23.197 42.856 1.00 7.67 C ATOM 1859 O PRO B2109 14.348 24.211 43.435 1.00 8.59 O ATOM 1860 CB PRO B2109 14.610 21.164 44.209 1.00 8.39 C ATOM 1861 CG PRO B2109 15.945 20.502 44.410 1.00 11.56 C ATOM 1862 CD PRO B2109 16.906 21.588 43.978 1.00 7.69 C ATOM 1863 N ASN B2110 12.812 23.136 42.176 1.00 7.41 N ATOM 1864 CA ASN B2110 11.902 24.273 42.072 1.00 7.49 C ATOM 1865 C ASN B2110 10.980 24.145 43.278 1.00 8.91 C ATOM 1866 O ASN B2110 9.870 23.621 43.169 1.00 8.18 O ATOM 1867 CB ASN B2110 11.094 24.172 40.776 1.00 8.25 C ATOM 1868 CG ASN B2110 10.260 25.407 40.511 1.00 8.45 C ATOM 1869 OD1 ASN B2110 10.042 26.227 41.401 1.00 9.51 O ATOM 1870 ND2 ASN B2110 9.775 25.537 39.282 1.00 11.58 N ATOM 1871 N ARG B2111 11.455 24.626 44.424 1.00 7.51 N ATOM 1872 CA ARG B2111 10.720 24.534 45.681 1.00 8.12 C ATOM 1873 C ARG B2111 9.536 25.476 45.828 1.00 8.66 C ATOM 1874 O ARG B2111 8.745 25.338 46.757 1.00 8.89 O ATOM 1875 CB ARG B2111 11.680 24.754 46.839 1.00 6.86 C ATOM 1876 CG ARG B2111 12.797 23.729 46.891 1.00 8.26 C ATOM 1877 CD ARG B2111 13.935 24.260 47.723 1.00 7.57 C ATOM 1878 NE ARG B2111 14.920 23.235 48.046 1.00 7.30 N ATOM 1879 CZ ARG B2111 16.048 23.488 48.697 1.00 6.06 C ATOM 1880 NH1 ARG B2111 16.318 24.731 49.079 1.00 6.16 N ATOM 1881 NH2 ARG B2111 16.894 22.506 48.975 1.00 7.85 N ATOM 1882 N LEU B2112 9.425 26.449 44.935 1.00 8.10 N ATOM 1883 CA LEU B2112 8.306 27.376 44.997 1.00 9.19 C ATOM 1884 C LEU B2112 7.255 26.963 43.976 1.00 10.34 C ATOM 1885 O LEU B2112 6.202 27.588 43.862 1.00 10.03 O ATOM 1886 CB LEU B2112 8.783 28.807 44.737 1.00 11.05 C ATOM 1887 CG LEU B2112 9.345 29.568 45.946 1.00 11.65 C ATOM 1888 CD1 LEU B2112 10.533 28.831 46.546 1.00 15.01 C ATOM 1889 CD2 LEU B2112 9.747 30.966 45.504 1.00 11.79 C ATOM 1890 N ASN B2113 7.554 25.895 43.242 1.00 11.97 N ATOM 1891 CA ASN B2113 6.650 25.361 42.232 1.00 13.56 C ATOM 1892 C ASN B2113 6.256 26.445 41.238 1.00 14.08 C ATOM 1893 O ASN B2113 5.128 26.476 40.750 1.00 14.20 O ATOM 1894 CB ASN B2113 5.398 24.796 42.910 1.00 13.47 C ATOM 1895 CG ASN B2113 5.711 24.126 44.232 1.00 15.18 C ATOM 1896 OD1 ASN B2113 5.252 24.566 45.289 1.00 16.76 O ATOM 1897 ND2 ASN B2113 6.508 23.063 44.183 1.00 11.96 N ATOM 1898 N LEU B2114 7.194 27.336 40.941 1.00 15.19 N ATOM 1899 CA LEU B2114 6.935 28.423 40.008 1.00 16.38 C ATOM 1900 C LEU B2114 6.648 27.923 38.601 1.00 16.09 C ATOM 1901 O LEU B2114 7.314 27.014 38.098 1.00 13.71 O ATOM 1902 CB LEU B2114 8.123 29.387 39.976 1.00 17.52 C ATOM 1903 CG LEU B2114 8.027 30.653 40.834 1.00 21.57 C ATOM 1904 CD1 LEU B2114 7.447 30.329 42.193 1.00 22.65 C ATOM 1905 CD2 LEU B2114 9.406 31.284 40.962 1.00 19.26 C ATOM 1906 N GLU B2115 5.639 28.521 37.978 1.00 16.24 N ATOM 1907 CA GLU B2115 5.253 28.177 36.618 1.00 17.51 C ATOM 1908 C GLU B2115 5.682 29.342 35.725 1.00 16.85 C ATOM 1909 O GLU B2115 5.425 29.362 34.522 1.00 16.16 O ATOM 1910 CB GLU B2115 3.739 27.945 36.550 1.00 20.39 C ATOM 1911 CG GLU B2115 3.263 26.859 37.527 1.00 23.68 C ATOM 1912 CD GLU B2115 1.769 26.579 37.447 1.00 25.89 C ATOM 1913 OE1 GLU B2115 1.283 25.728 38.228 1.00 26.82 O ATOM 1914 OE2 GLU B2115 1.085 27.204 36.609 1.00 27.77 O ATOM 1915 N ALA B2116 6.353 30.309 36.344 1.00 16.46 N ATOM 1916 CA ALA B2116 6.870 31.489 35.659 1.00 14.66 C ATOM 1917 C ALA B2116 7.817 32.229 36.595 1.00 13.82 C ATOM 1918 O ALA B2116 7.602 32.263 37.806 1.00 12.82 O ATOM 1919 CB ALA B2116 5.731 32.405 35.243 1.00 17.70 C ATOM 1920 N ILE B2117 8.875 32.800 36.032 1.00 11.10 N ATOM 1921 CA ILE B2117 9.847 33.560 36.809 1.00 11.30 C ATOM 1922 C ILE B2117 9.715 35.008 36.361 1.00 12.06 C ATOM 1923 O ILE B2117 9.992 35.331 35.204 1.00 12.00 O ATOM 1924 CB ILE B2117 11.286 33.072 36.542 1.00 11.50 C ATOM 1925 CG1 ILE B2117 11.431 31.620 37.009 1.00 12.41 C ATOM 1926 CG2 ILE B2117 12.282 33.980 37.258 1.00 12.74 C ATOM 1927 CD1 ILE B2117 12.821 31.032 36.811 1.00 15.17 C ATOM 1928 N ASN B2118 9.291 35.878 37.271 1.00 11.90 N ATOM 1929 CA ASN B2118 9.095 37.283 36.932 1.00 12.82 C ATOM 1930 C ASN B2118 10.070 38.267 37.557 1.00 11.63 C ATOM 1931 O ASN B2118 10.096 39.437 37.182 1.00 13.89 O ATOM 1932 CB ASN B2118 7.672 37.705 37.306 1.00 15.87 C ATOM 1933 CG ASN B2118 6.634 37.130 36.372 1.00 18.87 C ATOM 1934 OD1 ASN B2118 5.861 36.243 36.744 1.00 22.71 O ATOM 1935 ND2 ASN B2118 6.614 37.629 35.142 1.00 15.55 N ATOM 1936 N TYR B2119 10.878 37.795 38.496 1.00 10.30 N ATOM 1937 CA TYR B2119 11.811 38.665 39.195 1.00 9.88 C ATOM 1938 C TYR B2119 13.260 38.193 39.138 1.00 9.60 C ATOM 1939 O TYR B2119 13.544 37.003 39.249 1.00 8.50 O ATOM 1940 CB TYR B2119 11.360 38.775 40.657 1.00 10.05 C ATOM 1941 CG TYR B2119 12.305 39.502 41.589 1.00 10.27 C ATOM 1942 CD1 TYR B2119 12.248 40.890 41.738 1.00 9.93 C ATOM 1943 CD2 TYR B2119 13.233 38.794 42.354 1.00 9.11 C ATOM 1944 CE1 TYR B2119 13.089 41.553 42.632 1.00 9.61 C ATOM 1945 CE2 TYR B2119 14.076 39.443 43.247 1.00 9.38 C ATOM 1946 CZ TYR B2119 13.998 40.820 43.385 1.00 10.46 C ATOM 1947 OH TYR B2119 14.820 41.456 44.288 1.00 12.65 O ATOM 1948 N MET B2120 14.166 39.146 38.947 1.00 9.80 N ATOM 1949 CA MET B2120 15.593 38.871 38.924 1.00 10.65 C ATOM 1950 C MET B2120 16.302 40.080 39.505 1.00 11.79 C ATOM 1951 O MET B2120 15.921 41.225 39.241 1.00 12.38 O ATOM 1952 CB MET B2120 16.104 38.625 37.506 1.00 12.32 C ATOM 1953 CG MET B2120 17.622 38.486 37.448 1.00 14.66 C ATOM 1954 SD MET B2120 18.256 38.231 35.785 1.00 20.85 S ATOM 1955 CE MET B2120 18.111 39.873 35.124 1.00 18.25 C ATOM 1956 N ALA B2121 17.336 39.825 40.294 1.00 11.10 N ATOM 1957 CA ALA B2121 18.096 40.899 40.909 1.00 10.77 C ATOM 1958 C ALA B2121 19.518 40.441 41.181 1.00 11.70 C ATOM 1959 O ALA B2121 19.743 39.337 41.678 1.00 11.29 O ATOM 1960 CB ALA B2121 17.431 41.332 42.210 1.00 11.00 C ATOM 1961 N ALA B2122 20.474 41.296 40.838 1.00 11.53 N ATOM 1962 CA ALA B2122 21.884 41.010 41.059 1.00 12.14 C ATOM 1963 C ALA B2122 22.339 41.919 42.191 1.00 13.58 C ATOM 1964 O ALA B2122 21.742 42.974 42.410 1.00 14.07 O ATOM 1965 CB ALA B2122 22.683 41.309 39.791 1.00 11.81 C ATOM 1966 N ASP B2123 23.374 41.522 42.924 1.00 13.24 N ATOM 1967 CA ASP B2123 23.849 42.380 44.000 1.00 15.19 C ATOM 1968 C ASP B2123 24.948 43.301 43.478 1.00 16.57 C ATOM 1969 O ASP B2123 25.222 43.327 42.276 1.00 17.02 O ATOM 1970 CB ASP B2123 24.338 41.560 45.205 1.00 15.21 C ATOM 1971 CG ASP B2123 25.585 40.745 44.911 1.00 16.51 C ATOM 1972 OD1 ASP B2123 26.076 40.081 45.849 1.00 17.32 O ATOM 1973 OD2 ASP B2123 26.073 40.761 43.764 1.00 16.27 O ATOM 1974 N GLY B2124 25.572 44.053 44.378 1.00 17.04 N ATOM 1975 CA GLY B2124 26.604 44.989 43.972 1.00 17.06 C ATOM 1976 C GLY B2124 27.891 44.423 43.399 1.00 16.89 C ATOM 1977 O GLY B2124 28.734 45.185 42.931 1.00 17.42 O ATOM 1978 N ASP B2125 28.051 43.103 43.416 1.00 14.40 N ATOM 1979 CA ASP B2125 29.271 42.491 42.898 1.00 14.37 C ATOM 1980 C ASP B2125 29.109 41.851 41.525 1.00 13.64 C ATOM 1981 O ASP B2125 30.065 41.321 40.959 1.00 13.85 O ATOM 1982 CB ASP B2125 29.801 41.461 43.899 1.00 14.74 C ATOM 1983 CG ASP B2125 30.448 42.113 45.111 1.00 17.38 C ATOM 1984 OD1 ASP B2125 30.127 41.722 46.250 1.00 16.91 O ATOM 1985 OD2 ASP B2125 31.284 43.020 44.917 1.00 17.83 O ATOM 1986 N PHE B2126 27.897 41.909 40.989 1.00 13.23 N ATOM 1987 CA PHE B2126 27.630 41.341 39.677 1.00 14.31 C ATOM 1988 C PHE B2126 26.910 42.381 38.832 1.00 13.41 C ATOM 1989 O PHE B2126 25.696 42.566 38.955 1.00 13.49 O ATOM 1990 CB PHE B2126 26.775 40.077 39.812 1.00 13.14 C ATOM 1991 CG PHE B2126 26.638 39.293 38.535 1.00 14.11 C ATOM 1992 CD1 PHE B2126 27.765 38.872 37.837 1.00 14.53 C ATOM 1993 CD2 PHE B2126 25.381 38.948 38.047 1.00 14.08 C ATOM 1994 CE1 PHE B2126 27.645 38.117 36.671 1.00 14.84 C ATOM 1995 CE2 PHE B2126 25.247 38.195 36.886 1.00 14.05 C ATOM 1996 CZ PHE B2126 26.383 37.777 36.196 1.00 14.18 C ATOM 1997 N LYS B2127 27.670 43.068 37.986 1.00 13.33 N ATOM 1998 CA LYS B2127 27.115 44.100 37.118 1.00 14.09 C ATOM 1999 C LYS B2127 26.613 43.468 35.826 1.00 12.31 C ATOM 2000 O LYS B2127 27.399 43.092 34.954 1.00 11.93 O ATOM 2001 CB LYS B2127 28.178 45.156 36.802 1.00 15.77 C ATOM 2002 CG LYS B2127 27.649 46.355 36.030 1.00 17.82 C ATOM 2003 CD LYS B2127 28.763 47.349 35.742 1.00 22.06 C ATOM 2004 CE LYS B2127 28.231 48.585 35.036 1.00 25.51 C ATOM 2005 NZ LYS B2127 29.314 49.579 34.786 1.00 29.23 N ATOM 2006 N ILE B2128 25.297 43.341 35.715 1.00 12.69 N ATOM 2007 CA ILE B2128 24.694 42.743 34.535 1.00 12.10 C ATOM 2008 C ILE B2128 24.956 43.596 33.296 1.00 12.93 C ATOM 2009 O ILE B2128 24.709 44.805 33.293 1.00 13.40 O ATOM 2010 CB ILE B2128 23.173 42.541 34.745 1.00 12.36 C ATOM 2011 CG1 ILE B2128 22.954 41.511 35.862 1.00 12.85 C ATOM 2012 CG2 ILE B2128 22.510 42.091 33.447 1.00 10.87 C ATOM 2013 CD1 ILE B2128 21.492 41.175 36.141 1.00 15.79 C ATOM 2014 N LYS B2129 25.471 42.954 32.250 1.00 13.20 N ATOM 2015 CA LYS B2129 25.781 43.637 30.998 1.00 13.36 C ATOM 2016 C LYS B2129 24.759 43.313 29.912 1.00 13.67 C ATOM 2017 O LYS B2129 24.562 44.093 28.981 1.00 11.78 O ATOM 2018 CB LYS B2129 27.180 43.247 30.517 1.00 15.78 C ATOM 2019 CG LYS B2129 28.297 43.616 31.489 1.00 17.10 C ATOM 2020 CD LYS B2129 28.301 45.108 31.811 1.00 20.28 C ATOM 2021 CE LYS B2129 28.552 45.957 30.574 1.00 22.99 C ATOM 2022 NZ LYS B2129 28.546 47.415 30.896 1.00 25.27 N ATOM 2023 N CYS B2130 24.117 42.156 30.021 1.00 13.79 N ATOM 2024 CA CYS B2130 23.110 41.786 29.039 1.00 15.99 C ATOM 2025 C CYS B2130 22.229 40.663 29.556 1.00 14.58 C ATOM 2026 O CYS B2130 22.662 39.815 30.338 1.00 13.38 O ATOM 2027 CB CYS B2130 23.732 41.377 27.699 1.00 22.36 C ATOM 2028 SG CYS B2130 24.606 39.797 27.679 1.00 31.21 S ATOM 2029 N VAL B2131 20.980 40.683 29.112 1.00 12.24 N ATOM 2030 CA VAL B2131 20.009 39.672 29.487 1.00 12.49 C ATOM 2031 C VAL B2131 19.280 39.289 28.211 1.00 12.68 C ATOM 2032 O VAL B2131 18.823 40.157 27.466 1.00 13.16 O ATOM 2033 CB VAL B2131 18.990 40.212 30.505 1.00 13.52 C ATOM 2034 CG1 VAL B2131 17.924 39.160 30.777 1.00 13.81 C ATOM 2035 CG2 VAL B2131 19.701 40.595 31.797 1.00 14.98 C ATOM 2036 N ALA B2132 19.189 37.991 27.950 1.00 13.28 N ATOM 2037 CA ALA B2132 18.513 37.511 26.755 1.00 13.10 C ATOM 2038 C ALA B2132 17.472 36.471 27.130 1.00 14.98 C ATOM 2039 O ALA B2132 17.621 35.758 28.124 1.00 12.68 O ATOM 2040 CB ALA B2132 19.527 36.913 25.783 1.00 13.16 C ATOM 2041 N PHE B2133 16.411 36.401 26.336 1.00 16.04 N ATOM 2042 CA PHE B2133 15.342 35.442 26.569 1.00 19.85 C ATOM 2043 C PHE B2133 15.178 34.620 25.297 1.00 22.88 C ATOM 2044 O PHE B2133 14.846 35.157 24.242 1.00 23.06 O ATOM 2045 CB PHE B2133 14.031 36.167 26.892 1.00 19.36 C ATOM 2046 CG PHE B2133 14.168 37.229 27.948 1.00 21.73 C ATOM 2047 CD1 PHE B2133 14.660 38.490 27.625 1.00 22.79 C ATOM 2048 CD2 PHE B2133 13.818 36.965 29.268 1.00 23.49 C ATOM 2049 CE1 PHE B2133 14.802 39.474 28.602 1.00 24.02 C ATOM 2050 CE2 PHE B2133 13.956 37.940 30.252 1.00 23.40 C ATOM 2051 CZ PHE B2133 14.450 39.199 29.919 1.00 24.80 C ATOM 2052 N ASP B2134 15.420 33.318 25.395 1.00 26.09 N ATOM 2053 CA ASP B2134 15.303 32.439 24.240 1.00 30.08 C ATOM 2054 C ASP B2134 15.036 30.998 24.661 1.00 31.13 C ATOM 2055 O ASP B2134 15.797 30.107 24.230 1.00 33.34 O ATOM 2056 CB ASP B2134 16.584 32.509 23.408 1.00 32.87 C ATOM 2057 CG ASP B2134 17.828 32.206 24.226 1.00 35.49 C ATOM 2058 OD1 ASP B2134 18.942 32.272 23.666 1.00 37.47 O ATOM 2059 OD2 ASP B2134 17.693 31.903 25.430 1.00 39.01 O ATOM 2060 OXT ASP B2134 14.064 30.778 25.412 1.00 32.31 O TER 2061 ASP B2134 HETATM 2062 C2 BGC C 1 -1.604 63.635 21.382 1.00 29.25 C HETATM 2063 C3 BGC C 1 -1.462 62.127 21.735 1.00 28.48 C HETATM 2064 C4 BGC C 1 -1.584 62.002 23.283 1.00 28.22 C HETATM 2065 C5 BGC C 1 -3.008 62.530 23.737 1.00 30.31 C HETATM 2066 C6 BGC C 1 -3.243 62.481 25.255 1.00 31.21 C HETATM 2067 C1 BGC C 1 -3.001 64.120 21.854 1.00 31.16 C HETATM 2068 O1 BGC C 1 -3.163 65.473 21.556 1.00 33.78 O HETATM 2069 O2 BGC C 1 -1.495 63.820 19.962 1.00 29.64 O HETATM 2070 O3 BGC C 1 -0.170 61.680 21.310 1.00 25.59 O HETATM 2071 O4 BGC C 1 -1.429 60.600 23.678 1.00 26.46 O HETATM 2072 O5 BGC C 1 -3.170 63.935 23.305 1.00 31.45 O HETATM 2073 O6 BGC C 1 -2.158 63.065 25.999 1.00 32.95 O HETATM 2074 C1 GAL C 2 -0.530 60.229 24.700 1.00 23.90 C HETATM 2075 C2 GAL C 2 -0.592 58.685 24.887 1.00 23.84 C HETATM 2076 C3 GAL C 2 0.406 58.299 26.024 1.00 22.50 C HETATM 2077 C4 GAL C 2 1.845 58.715 25.593 1.00 20.56 C HETATM 2078 C5 GAL C 2 1.836 60.270 25.379 1.00 20.26 C HETATM 2079 C6 GAL C 2 3.196 60.779 24.921 1.00 18.91 C HETATM 2080 O2 GAL C 2 -1.921 58.323 25.252 1.00 25.45 O HETATM 2081 O3 GAL C 2 0.366 56.878 26.218 1.00 22.65 O HETATM 2082 O4 GAL C 2 2.196 58.033 24.376 1.00 18.78 O HETATM 2083 O5 GAL C 2 0.831 60.637 24.349 1.00 21.89 O HETATM 2084 O6 GAL C 2 3.103 62.191 24.749 1.00 15.81 O HETATM 2085 C2 BGC D 1 25.802 29.121 55.838 0.70 23.61 C HETATM 2086 C3 BGC D 1 25.795 30.442 55.035 0.70 22.23 C HETATM 2087 C4 BGC D 1 24.704 31.360 55.665 0.70 22.53 C HETATM 2088 C5 BGC D 1 25.086 31.657 57.169 0.70 23.62 C HETATM 2089 C6 BGC D 1 24.073 32.538 57.908 0.70 24.74 C HETATM 2090 C1 BGC D 1 26.169 29.445 57.318 0.70 24.12 C HETATM 2091 O1 BGC D 1 26.181 28.275 58.075 0.70 26.74 O HETATM 2092 O2 BGC D 1 26.791 28.227 55.296 0.70 21.65 O HETATM 2093 O3 BGC D 1 25.451 30.156 53.680 0.70 20.81 O HETATM 2094 O4 BGC D 1 24.637 32.617 54.919 0.70 21.44 O HETATM 2095 O5 BGC D 1 25.194 30.378 57.912 0.70 25.20 O HETATM 2096 O6 BGC D 1 22.897 31.810 58.297 0.70 24.81 O HETATM 2097 C1 GAL D 2 23.464 33.065 54.278 0.70 21.12 C HETATM 2098 C2 GAL D 2 23.783 34.429 53.605 0.70 21.08 C HETATM 2099 C3 GAL D 2 22.487 34.944 52.900 0.70 20.47 C HETATM 2100 C4 GAL D 2 22.069 33.913 51.809 0.70 19.51 C HETATM 2101 C5 GAL D 2 21.783 32.548 52.533 0.70 17.47 C HETATM 2102 C6 GAL D 2 21.385 31.477 51.525 0.70 14.51 C HETATM 2103 O2 GAL D 2 24.195 35.353 54.613 0.70 22.42 O HETATM 2104 O3 GAL D 2 22.761 36.204 52.274 0.70 22.22 O HETATM 2105 O4 GAL D 2 23.144 33.773 50.852 0.70 19.67 O HETATM 2106 O5 GAL D 2 23.015 32.106 53.257 0.70 18.22 O HETATM 2107 O6 GAL D 2 21.130 30.263 52.221 0.70 6.32 O HETATM 2108 C1 BME A2137 19.744 48.757 16.014 1.00 32.03 C HETATM 2109 C2 BME A2137 20.282 50.090 16.517 1.00 30.76 C HETATM 2110 O1 BME A2137 20.663 48.113 15.156 1.00 34.71 O HETATM 2111 S2 BME A2137 21.969 49.978 17.184 1.00 31.19 S HETATM 2112 C1 BME A2138 22.506 42.053 22.023 1.00 37.42 C HETATM 2113 C2 BME A2138 21.575 41.808 23.202 1.00 35.13 C HETATM 2114 O1 BME A2138 22.850 40.844 21.377 1.00 40.82 O HETATM 2115 S2 BME A2138 19.960 42.611 22.997 1.00 33.58 S HETATM 2116 S SO4 B3135 23.656 26.757 24.019 1.00 45.80 S HETATM 2117 O1 SO4 B3135 22.288 27.081 24.227 1.00 45.59 O HETATM 2118 O2 SO4 B3135 24.018 25.611 24.769 1.00 46.73 O HETATM 2119 O3 SO4 B3135 24.438 27.863 24.389 1.00 45.81 O HETATM 2120 O4 SO4 B3135 23.795 26.470 22.648 1.00 45.62 O HETATM 2121 C1 BME B3138 21.273 26.876 27.941 1.00 27.21 C HETATM 2122 C2 BME B3138 19.753 26.890 28.028 1.00 26.96 C HETATM 2123 O1 BME B3138 21.737 25.809 27.140 1.00 29.12 O HETATM 2124 S2 BME B3138 19.123 28.179 29.141 1.00 28.47 S HETATM 2125 C1 BME B3139 26.784 30.484 29.894 1.00 27.02 C HETATM 2126 C2 BME B3139 25.916 29.239 29.929 1.00 24.87 C HETATM 2127 O1 BME B3139 27.799 30.373 28.919 1.00 30.03 O HETATM 2128 S2 BME B3139 24.714 29.183 28.571 1.00 25.85 S HETATM 2129 C1 BME B3140 23.768 36.773 25.317 1.00 41.42 C HETATM 2130 C2 BME B3140 24.024 37.142 26.771 1.00 39.26 C HETATM 2131 O1 BME B3140 24.632 35.738 24.893 1.00 44.65 O HETATM 2132 S2 BME B3140 23.122 38.629 27.290 1.00 36.69 S HETATM 2133 O HOH A2001 4.052 41.233 21.987 1.00 41.99 O HETATM 2134 O HOH A2002 -0.685 48.677 11.424 1.00 36.50 O HETATM 2135 O HOH A2003 1.085 52.516 25.326 1.00 40.72 O HETATM 2136 O HOH A2004 11.806 52.463 39.710 1.00 44.24 O HETATM 2137 O HOH A2005 3.763 54.440 35.025 1.00 45.80 O HETATM 2138 O HOH A2006 3.737 62.809 11.763 1.00 15.97 O HETATM 2139 O HOH A2007 2.311 69.687 24.481 1.00 42.47 O HETATM 2140 O HOH A2008 2.095 67.815 19.143 1.00 50.86 O HETATM 2141 O HOH A2009 25.155 60.731 11.225 1.00 28.63 O HETATM 2142 O HOH A2010 25.705 58.058 19.278 1.00 41.42 O HETATM 2143 O HOH A2011 4.824 51.461 32.195 1.00 39.28 O HETATM 2144 O HOH A2012 4.503 39.020 34.073 1.00 40.83 O HETATM 2145 O HOH A2013 4.385 44.913 26.722 1.00 37.91 O HETATM 2146 O HOH A2014 6.566 47.438 31.873 1.00 35.75 O HETATM 2147 O HOH A2015 8.891 42.765 27.331 1.00 37.37 O HETATM 2148 O HOH A2016 12.549 46.665 38.431 1.00 23.73 O HETATM 2149 O HOH A2017 23.292 49.067 39.588 1.00 33.73 O HETATM 2150 O HOH A2018 15.437 51.316 42.733 1.00 30.77 O HETATM 2151 O HOH A2019 16.167 52.528 40.251 1.00 20.52 O HETATM 2152 O HOH A2020 25.802 51.162 39.894 1.00 52.55 O HETATM 2153 O HOH A2021 22.476 56.640 39.493 1.00 36.26 O HETATM 2154 O HOH A2022 29.776 58.976 32.026 1.00 38.10 O HETATM 2155 O HOH A2023 24.700 48.276 24.887 1.00 38.13 O HETATM 2156 O HOH A2024 25.295 46.319 22.935 1.00 40.97 O HETATM 2157 O HOH A2025 5.434 40.394 19.823 1.00 30.63 O HETATM 2158 O HOH A2026 -0.513 44.320 10.671 1.00 39.87 O HETATM 2159 O HOH A2027 -0.438 39.994 19.815 1.00 42.51 O HETATM 2160 O HOH A2028 -2.556 44.954 18.707 1.00 58.55 O HETATM 2161 O HOH A2029 -0.538 46.387 12.761 1.00 34.82 O HETATM 2162 O HOH A2030 -0.148 54.431 21.859 1.00 32.77 O HETATM 2163 O HOH A2031 2.000 50.717 23.579 1.00 24.15 O HETATM 2164 O HOH A2032 -0.054 49.084 23.688 1.00 36.77 O HETATM 2165 O HOH A2033 3.978 54.856 28.833 1.00 27.82 O HETATM 2166 O HOH A2034 14.074 53.597 39.207 1.00 33.91 O HETATM 2167 O HOH A2035 9.239 53.662 39.160 1.00 22.51 O HETATM 2168 O HOH A2036 5.557 55.346 33.311 1.00 28.22 O HETATM 2169 O HOH A2037 3.788 55.723 37.562 1.00 38.06 O HETATM 2170 O HOH A2038 3.443 58.556 35.227 1.00 48.25 O HETATM 2171 O HOH A2039 7.835 62.376 40.835 1.00 34.14 O HETATM 2172 O HOH A2040 11.872 65.369 37.203 1.00 49.06 O HETATM 2173 O HOH A2041 13.949 64.135 28.067 1.00 17.53 O HETATM 2174 O HOH A2042 1.449 55.357 24.074 1.00 24.39 O HETATM 2175 O HOH A2043 -0.263 52.276 9.965 1.00 30.14 O HETATM 2176 O HOH A2044 -5.285 61.068 21.076 1.00 37.00 O HETATM 2177 O HOH A2045 -1.910 62.101 17.917 1.00 32.81 O HETATM 2178 O HOH A2046 -4.289 59.181 10.994 1.00 41.84 O HETATM 2179 O HOH A2047 -1.075 62.581 11.955 1.00 47.35 O HETATM 2180 O HOH A2048 -0.728 62.913 15.602 1.00 27.37 O HETATM 2181 O HOH A2049 1.398 61.519 12.355 1.00 20.52 O HETATM 2182 O HOH A2050 0.917 59.361 10.583 1.00 18.12 O HETATM 2183 O HOH A2051 2.763 49.216 10.557 1.00 26.61 O HETATM 2184 O HOH A2052 4.329 59.081 10.394 1.00 12.02 O HETATM 2185 O HOH A2053 9.254 67.287 30.286 1.00 29.44 O HETATM 2186 O HOH A2054 4.058 56.412 31.475 1.00 25.02 O HETATM 2187 O HOH A2055 -0.345 58.595 31.492 1.00 5.34 O HETATM 2188 O HOH A2056 11.454 70.198 36.246 1.00 44.64 O HETATM 2189 O HOH A2057 6.752 67.737 31.033 1.00 21.87 O HETATM 2190 O HOH A2058 1.687 68.017 30.399 1.00 30.13 O HETATM 2191 O HOH A2059 0.595 65.002 31.369 1.00 25.34 O HETATM 2192 O HOH A2060 4.041 69.852 28.217 1.00 39.25 O HETATM 2193 O HOH A2061 2.083 67.472 26.462 1.00 41.35 O HETATM 2194 O HOH A2062 6.504 71.018 28.038 1.00 42.17 O HETATM 2195 O HOH A2063 8.616 72.727 24.234 1.00 45.27 O HETATM 2196 O HOH A2064 8.526 69.746 26.784 1.00 21.35 O HETATM 2197 O HOH A2065 4.676 68.553 19.523 1.00 28.27 O HETATM 2198 O HOH A2066 2.990 67.696 22.420 1.00 22.19 O HETATM 2199 O HOH A2067 15.282 67.008 19.052 1.00 31.22 O HETATM 2200 O HOH A2068 10.206 61.241 18.166 1.00 26.51 O HETATM 2201 O HOH A2069 13.084 62.186 11.995 1.00 11.72 O HETATM 2202 O HOH A2070 5.825 61.111 10.896 1.00 18.73 O HETATM 2203 O HOH A2071 7.756 58.366 12.475 1.00 11.09 O HETATM 2204 O HOH A2072 11.699 60.006 5.797 1.00 31.52 O HETATM 2205 O HOH A2073 8.357 61.105 6.651 1.00 25.08 O HETATM 2206 O HOH A2074 5.107 48.804 9.163 1.00 22.44 O HETATM 2207 O HOH A2075 12.296 46.565 11.768 1.00 20.60 O HETATM 2208 O HOH A2076 8.840 49.981 7.676 1.00 16.92 O HETATM 2209 O HOH A2077 6.878 41.419 9.382 1.00 45.69 O HETATM 2210 O HOH A2078 6.313 38.125 9.912 1.00 45.41 O HETATM 2211 O HOH A2079 10.182 45.591 13.113 1.00 19.84 O HETATM 2212 O HOH A2080 12.376 39.343 12.025 1.00 28.89 O HETATM 2213 O HOH A2081 13.522 42.116 11.272 1.00 38.42 O HETATM 2214 O HOH A2082 22.885 44.553 16.160 1.00 50.44 O HETATM 2215 O HOH A2083 16.532 45.477 13.900 1.00 16.01 O HETATM 2216 O HOH A2084 22.307 55.146 20.099 1.00 21.88 O HETATM 2217 O HOH A2085 23.208 61.316 22.972 1.00 24.43 O HETATM 2218 O HOH A2086 19.553 69.668 26.000 1.00 38.35 O HETATM 2219 O HOH A2087 20.277 69.825 21.334 1.00 47.08 O HETATM 2220 O HOH A2088 17.728 67.364 20.630 1.00 32.69 O HETATM 2221 O HOH A2089 18.863 46.526 13.276 1.00 25.45 O HETATM 2222 O HOH A2090 20.461 54.240 7.685 1.00 15.01 O HETATM 2223 O HOH A2091 23.605 54.672 11.539 1.00 26.66 O HETATM 2224 O HOH A2092 14.628 62.515 7.867 1.00 9.63 O HETATM 2225 O HOH A2093 24.011 55.875 18.089 1.00 24.14 O HETATM 2226 O HOH A2094 23.154 59.150 11.366 1.00 35.53 O HETATM 2227 O HOH A2095 17.093 64.960 16.359 1.00 17.35 O HETATM 2228 O HOH A2096 15.180 71.420 30.402 1.00 38.05 O HETATM 2229 O HOH A2097 16.613 69.607 27.269 1.00 5.23 O HETATM 2230 O HOH A2098 14.209 70.415 33.636 1.00 41.02 O HETATM 2231 O HOH A2099 15.268 64.291 30.362 1.00 20.37 O HETATM 2232 O HOH A2100 21.309 67.922 36.608 1.00 45.48 O HETATM 2233 O HOH A2101 19.569 61.345 37.949 1.00 5.33 O HETATM 2234 O HOH A2102 17.794 58.505 36.851 1.00 35.68 O HETATM 2235 O HOH A2103 21.924 52.943 40.509 1.00 38.24 O HETATM 2236 O HOH A2104 6.930 53.016 32.477 1.00 18.22 O HETATM 2237 O HOH A2105 6.963 50.732 36.524 1.00 27.39 O HETATM 2238 O HOH A2106 -1.637 47.950 21.565 1.00 30.94 O HETATM 2239 O HOH A2107 1.262 42.403 21.498 1.00 44.01 O HETATM 2240 O HOH A2108 6.908 44.500 26.363 1.00 25.61 O HETATM 2241 O HOH A2109 10.114 36.256 27.977 1.00 37.38 O HETATM 2242 O HOH A2110 11.104 35.167 24.670 1.00 47.91 O HETATM 2243 O HOH A2111 10.478 38.738 27.071 1.00 43.09 O HETATM 2244 O HOH A2112 17.006 36.407 22.540 1.00 36.73 O HETATM 2245 O HOH A2113 29.800 50.378 31.607 1.00 47.48 O HETATM 2246 O HOH A2114 1.123 56.195 28.778 1.00 45.21 O HETATM 2247 O HOH A2115 0.731 63.874 25.525 1.00 32.56 O HETATM 2248 O HOH B5001 24.364 47.131 38.121 1.00 30.46 O HETATM 2249 O HOH B5002 35.082 42.383 33.893 1.00 28.54 O HETATM 2250 O HOH B5003 21.805 39.929 47.694 1.00 43.85 O HETATM 2251 O HOH B5004 9.366 42.921 42.256 1.00 43.73 O HETATM 2252 O HOH B5005 12.322 44.832 44.079 1.00 39.08 O HETATM 2253 O HOH B5006 29.992 36.409 58.346 1.00 39.39 O HETATM 2254 O HOH B5007 38.686 26.941 52.833 1.00 20.06 O HETATM 2255 O HOH B5008 23.982 18.325 41.001 1.00 43.65 O HETATM 2256 O HOH B5009 17.992 22.789 30.044 1.00 40.45 O HETATM 2257 O HOH B5010 35.788 21.596 35.555 1.00 39.72 O HETATM 2258 O HOH B5011 13.785 16.965 31.170 1.00 33.86 O HETATM 2259 O HOH B5012 1.293 25.721 43.085 1.00 28.57 O HETATM 2260 O HOH B5013 17.729 44.531 44.976 1.00 33.77 O HETATM 2261 O HOH B5014 4.033 41.624 51.595 1.00 52.20 O HETATM 2262 O HOH B5015 25.966 48.021 41.915 1.00 29.94 O HETATM 2263 O HOH B5016 23.758 44.594 37.999 1.00 15.13 O HETATM 2264 O HOH B5017 4.598 40.323 36.575 1.00 42.96 O HETATM 2265 O HOH B5018 7.147 41.292 38.650 1.00 20.43 O HETATM 2266 O HOH B5019 7.012 40.709 30.208 1.00 28.00 O HETATM 2267 O HOH B5020 10.570 39.662 29.428 1.00 35.20 O HETATM 2268 O HOH B5021 7.686 34.600 27.921 1.00 21.52 O HETATM 2269 O HOH B5022 6.297 26.750 28.629 1.00 32.76 O HETATM 2270 O HOH B5023 12.679 28.370 31.647 1.00 20.74 O HETATM 2271 O HOH B5024 7.515 29.399 25.833 1.00 34.18 O HETATM 2272 O HOH B5025 30.207 35.607 28.526 1.00 41.69 O HETATM 2273 O HOH B5026 31.693 43.524 29.826 1.00 40.74 O HETATM 2274 O HOH B5027 31.010 44.306 38.836 1.00 19.50 O HETATM 2275 O HOH B5028 35.036 43.190 36.441 1.00 23.62 O HETATM 2276 O HOH B5029 35.193 43.586 48.682 1.00 42.95 O HETATM 2277 O HOH B5030 38.448 39.576 45.144 1.00 33.40 O HETATM 2278 O HOH B5031 30.907 39.212 49.596 1.00 31.05 O HETATM 2279 O HOH B5032 27.798 35.877 49.590 1.00 16.81 O HETATM 2280 O HOH B5033 20.030 37.800 48.372 1.00 23.73 O HETATM 2281 O HOH B5034 8.321 40.783 40.945 1.00 34.36 O HETATM 2282 O HOH B5035 4.636 37.203 46.710 1.00 45.78 O HETATM 2283 O HOH B5036 6.135 39.427 48.926 1.00 32.45 O HETATM 2284 O HOH B5037 8.800 42.001 47.590 1.00 42.75 O HETATM 2285 O HOH B5038 10.513 42.419 45.082 1.00 22.49 O HETATM 2286 O HOH B5039 15.884 39.290 47.991 1.00 20.77 O HETATM 2287 O HOH B5040 11.816 44.539 47.759 1.00 45.62 O HETATM 2288 O HOH B5041 12.345 38.071 53.694 1.00 30.00 O HETATM 2289 O HOH B5042 5.982 36.959 50.635 1.00 18.60 O HETATM 2290 O HOH B5043 39.232 31.843 47.423 1.00 34.79 O HETATM 2291 O HOH B5044 35.553 37.572 53.120 1.00 18.59 O HETATM 2292 O HOH B5045 29.837 28.758 55.334 1.00 16.12 O HETATM 2293 O HOH B5046 25.617 35.687 50.998 1.00 38.37 O HETATM 2294 O HOH B5047 27.219 39.047 51.270 1.00 38.91 O HETATM 2295 O HOH B5048 27.614 34.808 57.659 1.00 30.93 O HETATM 2296 O HOH B5049 31.881 36.722 55.035 1.00 21.40 O HETATM 2297 O HOH B5050 36.551 28.235 53.688 1.00 19.99 O HETATM 2298 O HOH B5051 36.799 25.529 49.318 1.00 13.63 O HETATM 2299 O HOH B5052 39.025 26.704 47.499 1.00 22.92 O HETATM 2300 O HOH B5053 36.093 24.626 44.624 1.00 14.22 O HETATM 2301 O HOH B5054 12.047 27.220 49.569 1.00 13.57 O HETATM 2302 O HOH B5055 17.397 37.887 49.754 1.00 31.14 O HETATM 2303 O HOH B5056 15.717 38.536 54.023 1.00 28.06 O HETATM 2304 O HOH B5057 7.971 25.756 51.576 1.00 47.29 O HETATM 2305 O HOH B5058 4.447 29.164 51.516 1.00 35.19 O HETATM 2306 O HOH B5059 5.981 27.065 48.034 1.00 20.05 O HETATM 2307 O HOH B5060 7.579 37.622 52.918 1.00 31.08 O HETATM 2308 O HOH B5061 3.659 37.424 52.848 1.00 38.18 O HETATM 2309 O HOH B5062 4.789 37.689 53.913 1.00 5.15 O HETATM 2310 O HOH B5063 12.303 27.829 52.220 1.00 12.51 O HETATM 2311 O HOH B5064 15.623 25.894 56.037 1.00 16.81 O HETATM 2312 O HOH B5065 18.022 37.324 54.072 1.00 26.08 O HETATM 2313 O HOH B5066 18.893 27.905 55.527 1.00 23.69 O HETATM 2314 O HOH B5067 17.489 24.071 56.003 1.00 18.51 O HETATM 2315 O HOH B5068 21.269 28.953 55.463 1.00 33.90 O HETATM 2316 O HOH B5069 21.110 25.328 54.613 1.00 21.62 O HETATM 2317 O HOH B5070 22.939 22.415 52.991 1.00 20.89 O HETATM 2318 O HOH B5071 21.914 22.385 43.253 1.00 13.01 O HETATM 2319 O HOH B5072 24.517 19.762 45.643 1.00 16.84 O HETATM 2320 O HOH B5073 31.135 25.608 51.305 1.00 10.90 O HETATM 2321 O HOH B5074 31.027 25.054 44.071 1.00 10.43 O HETATM 2322 O HOH B5075 23.775 19.889 43.156 1.00 21.88 O HETATM 2323 O HOH B5076 33.988 32.497 34.292 1.00 38.02 O HETATM 2324 O HOH B5077 38.264 32.124 41.261 1.00 32.08 O HETATM 2325 O HOH B5078 37.800 29.749 38.967 1.00 46.11 O HETATM 2326 O HOH B5079 33.774 34.830 36.783 1.00 18.76 O HETATM 2327 O HOH B5080 40.880 37.453 39.921 1.00 39.02 O HETATM 2328 O HOH B5081 39.737 38.150 36.680 1.00 31.67 O HETATM 2329 O HOH B5082 36.474 38.800 31.259 1.00 5.74 O HETATM 2330 O HOH B5083 31.088 33.463 30.633 1.00 19.28 O HETATM 2331 O HOH B5084 13.695 18.460 35.951 1.00 16.41 O HETATM 2332 O HOH B5085 14.989 22.375 34.564 1.00 16.84 O HETATM 2333 O HOH B5086 15.872 17.677 42.333 1.00 25.78 O HETATM 2334 O HOH B5087 20.009 26.022 31.722 1.00 18.66 O HETATM 2335 O HOH B5088 17.362 20.609 31.967 1.00 24.53 O HETATM 2336 O HOH B5089 27.531 24.378 26.098 1.00 19.26 O HETATM 2337 O HOH B5090 30.983 27.553 27.807 1.00 27.63 O HETATM 2338 O HOH B5091 31.405 21.967 29.411 1.00 16.48 O HETATM 2339 O HOH B5092 35.144 24.134 35.944 1.00 23.85 O HETATM 2340 O HOH B5093 33.825 22.682 31.834 1.00 31.24 O HETATM 2341 O HOH B5094 33.244 21.379 34.553 1.00 21.06 O HETATM 2342 O HOH B5095 27.007 20.615 41.073 1.00 13.44 O HETATM 2343 O HOH B5096 30.557 17.835 39.061 1.00 42.93 O HETATM 2344 O HOH B5097 21.243 24.248 30.190 1.00 19.70 O HETATM 2345 O HOH B5098 16.567 15.375 36.172 1.00 19.34 O HETATM 2346 O HOH B5099 15.734 18.530 31.951 1.00 19.09 O HETATM 2347 O HOH B5100 21.183 19.124 42.823 1.00 40.74 O HETATM 2348 O HOH B5101 13.669 26.554 44.294 1.00 12.48 O HETATM 2349 O HOH B5102 11.334 27.342 43.192 1.00 20.94 O HETATM 2350 O HOH B5103 9.572 25.957 49.304 1.00 16.93 O HETATM 2351 O HOH B5104 14.784 20.264 47.815 1.00 11.42 O HETATM 2352 O HOH B5105 5.304 28.986 46.113 1.00 31.43 O HETATM 2353 O HOH B5106 7.030 21.619 41.968 1.00 9.11 O HETATM 2354 O HOH B5107 2.762 25.225 40.747 1.00 27.89 O HETATM 2355 O HOH B5108 3.035 26.246 45.020 1.00 21.79 O HETATM 2356 O HOH B5109 5.741 24.695 37.123 1.00 28.50 O HETATM 2357 O HOH B5110 0.517 29.631 35.611 1.00 45.68 O HETATM 2358 O HOH B5111 3.577 27.789 33.101 1.00 45.62 O HETATM 2359 O HOH B5112 3.901 30.124 39.509 1.00 36.43 O HETATM 2360 O HOH B5113 -0.962 24.369 38.791 1.00 12.32 O HETATM 2361 O HOH B5114 3.997 23.763 38.939 1.00 34.13 O HETATM 2362 O HOH B5115 7.269 34.515 39.325 1.00 17.03 O HETATM 2363 O HOH B5116 16.918 40.100 45.690 1.00 16.58 O HETATM 2364 O HOH B5117 14.729 43.992 44.947 1.00 18.36 O HETATM 2365 O HOH B5118 19.728 44.579 43.254 1.00 41.95 O HETATM 2366 O HOH B5119 26.069 45.446 40.347 1.00 24.86 O HETATM 2367 O HOH B5120 24.488 40.103 48.036 1.00 22.38 O HETATM 2368 O HOH B5121 28.325 40.019 47.205 1.00 21.96 O HETATM 2369 O HOH B5122 24.785 44.347 47.160 1.00 39.55 O HETATM 2370 O HOH B5123 29.126 45.586 40.352 1.00 25.64 O HETATM 2371 O HOH B5124 33.005 44.425 46.438 1.00 41.55 O HETATM 2372 O HOH B5125 32.084 41.147 47.942 1.00 16.80 O HETATM 2373 O HOH B5126 31.728 45.741 44.288 1.00 38.82 O HETATM 2374 O HOH B5127 23.550 47.401 34.656 1.00 38.66 O HETATM 2375 O HOH B5128 26.177 48.137 32.807 1.00 45.56 O HETATM 2376 O HOH B5129 26.741 44.656 27.100 1.00 28.30 O HETATM 2377 O HOH B5130 21.231 26.823 20.667 1.00 34.27 O HETATM 2378 O HOH B5131 26.099 27.168 20.957 1.00 30.12 O HETATM 2379 O HOH B5132 28.523 27.100 27.494 1.00 25.43 O HETATM 2380 O HOH B5133 30.557 31.546 28.910 1.00 27.55 O HETATM 2381 O HOH B5134 24.827 37.979 50.147 1.00 45.31 O HETATM 2382 O HOH B5135 20.312 37.857 52.731 1.00 50.94 O CONECT 96 103 CONECT 103 96 104 CONECT 104 103 105 107 CONECT 105 104 106 CONECT 106 105 109 CONECT 107 104 108 110 CONECT 108 107 CONECT 109 106 CONECT 110 107 CONECT 659 2111 CONECT 998 2115 CONECT 1139 2124 CONECT 1689 2128 CONECT 2028 2132 CONECT 2062 2063 2067 2069 CONECT 2063 2062 2064 2070 CONECT 2064 2063 2065 2071 CONECT 2065 2064 2066 2072 CONECT 2066 2065 2073 CONECT 2067 2062 2068 2072 CONECT 2068 2067 CONECT 2069 2062 CONECT 2070 2063 CONECT 2071 2064 2074 CONECT 2072 2065 2067 CONECT 2073 2066 CONECT 2074 2071 2075 2083 CONECT 2075 2074 2076 2080 CONECT 2076 2075 2077 2081 CONECT 2077 2076 2078 2082 CONECT 2078 2077 2079 2083 CONECT 2079 2078 2084 CONECT 2080 2075 CONECT 2081 2076 CONECT 2082 2077 CONECT 2083 2074 2078 CONECT 2084 2079 CONECT 2085 2086 2090 2092 CONECT 2086 2085 2087 2093 CONECT 2087 2086 2088 2094 CONECT 2088 2087 2089 2095 CONECT 2089 2088 2096 CONECT 2090 2085 2091 2095 CONECT 2091 2090 CONECT 2092 2085 CONECT 2093 2086 CONECT 2094 2087 2097 CONECT 2095 2088 2090 CONECT 2096 2089 CONECT 2097 2094 2098 2106 CONECT 2098 2097 2099 2103 CONECT 2099 2098 2100 2104 CONECT 2100 2099 2101 2105 CONECT 2101 2100 2102 2106 CONECT 2102 2101 2107 CONECT 2103 2098 CONECT 2104 2099 CONECT 2105 2100 CONECT 2106 2097 2101 CONECT 2107 2102 CONECT 2108 2109 2110 CONECT 2109 2108 2111 CONECT 2110 2108 CONECT 2111 659 2109 CONECT 2112 2113 2114 CONECT 2113 2112 2115 CONECT 2114 2112 CONECT 2115 998 2113 CONECT 2116 2117 2118 2119 2120 CONECT 2117 2116 CONECT 2118 2116 CONECT 2119 2116 CONECT 2120 2116 CONECT 2121 2122 2123 CONECT 2122 2121 2124 CONECT 2123 2121 CONECT 2124 1139 2122 CONECT 2125 2126 2127 CONECT 2126 2125 2128 CONECT 2127 2125 CONECT 2128 1689 2126 CONECT 2129 2130 2131 CONECT 2130 2129 2132 CONECT 2131 2129 CONECT 2132 2028 2130 MASTER 354 0 11 0 24 0 0 9 2380 2 85 22 END If you find results from this site helpful for your research, please cite one of our papers:
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