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*** gal1-wt_monomer ***elNémo ID: 2405021327414110759Job options:ID = 2405021327414110759 JOBID = gal1-wt_monomer USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER gal1-wt_monomer HEADER LECTIN 07-JUN-02 1GZW TITLE X-RAY CRYSTAL STRUCTURE OF HUMAN GALECTIN-1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: GALECTIN-1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BETA-GALACTOSIDE-BINDING LECTIN L-14-I, LACTOSE-BINDING COMPND 5 LECTIN 1, S-LAC LECTIN 1, GALAPTIN, 14 KDA LECTIN HPL, HBL; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: GALECTIN-1; COMPND 9 CHAIN: B; COMPND 10 SYNONYM: BETA-GALACTOSIDE-BINDING LECTIN L-14-I, LACTOSE-BINDING COMPND 11 LECTIN 1, S-LAC LECTIN 1, GALAPTIN, 14 KDA LECTIN HPL, HBL; COMPND 12 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 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, KEYWDS 2 CARBOHYDRATE-BINDING SITE EXPDTA X-RAY DIFFRACTION AUTHOR M.I.F.LOPEZ-LUCENDO,H.J.GABIUS,A.ROMERO REVDAT 8 13-DEC-23 1GZW 1 HETSYN LINK REVDAT 7 29-JUL-20 1GZW 1 COMPND REMARK HETNAM LINK REVDAT 7 2 1 SITE ATOM REVDAT 6 24-JUL-19 1GZW 1 REMARK REVDAT 5 08-MAY-19 1GZW 1 REMARK LINK REVDAT 4 24-FEB-09 1GZW 1 VERSN REVDAT 3 20-OCT-04 1GZW 1 JRNL REVDAT 2 15-JAN-04 1GZW 1 SOURCE REVDAT 1 08-JAN-04 1GZW 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. 1.70 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) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.41 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1383157.020 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.9 REMARK 3 NUMBER OF REFLECTIONS : 33538 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) : 0.216 REMARK 3 FREE R VALUE : 0.237 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1660 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.81 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 92.70 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 5027 REMARK 3 BIN R VALUE (WORKING SET) : 0.3010 REMARK 3 BIN FREE R VALUE : 0.3340 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 264 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.021 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2051 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 71 REMARK 3 SOLVENT ATOMS : 284 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 16.40 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 23.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 6.09000 REMARK 3 B22 (A**2) : -5.46000 REMARK 3 B33 (A**2) : -0.63000 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) : 0.19 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) : 0.23 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.300 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 26.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.830 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.330 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.140 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.100 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.130 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.36 REMARK 3 BSOL : 52.29 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : LACTOSA.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : LACTOSA.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GZW COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 07-JUN-02. REMARK 100 THE DEPOSITION ID IS D_1290009930. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-MAR-01 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 5.00 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 : X31 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.01000 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 34966 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 34.410 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.1 REMARK 200 DATA REDUNDANCY : 3.900 REMARK 200 R MERGE (I) : 0.04900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 12.2000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 91.4 REMARK 200 DATA REDUNDANCY IN SHELL : 5.20 REMARK 200 R MERGE FOR SHELL (I) : 0.33700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.800 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 1SLT REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.12 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.64 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALS WERE OBTAINED IN SITTING REMARK 280 DROPS BY MIXING EQUAL VOLUMES OF THE PROTEIN SOLUTION (10 MG/ML) REMARK 280 AND THE PRECIPITATING BUFFER (2M AMMONIUM SULPHATE AND 1% BETA- REMARK 280 MERCAPTO ETHANOL, PH 5.0), PH 5.00, VAPOR DIFFUSION, SITTING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 18.48950 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 46.97200 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 44.40250 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 46.97200 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 18.48950 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 44.40250 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 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 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 A 29 170.39 173.30 REMARK 500 ASN A 50 83.96 -158.89 REMARK 500 SER B 29 171.22 179.24 REMARK 500 ASN B 50 88.31 -156.65 REMARK 500 ASN B 56 59.03 34.47 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. DBREF 1GZW A 1 134 UNP P09382 LEG1_HUMAN 1 134 DBREF 1GZW B 1 134 UNP P09382 LEG1_HUMAN 1 134 SEQRES 1 A 134 ALA CYS 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 GLY 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 CYS 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 GLY 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 1GZW CSO A 16 CYS S-HYDROXYCYSTEINE HET CSO A 16 7 HET BGC C 1 12 HET GAL C 2 11 HET BGC D 1 12 HET GAL D 2 11 HET BME A 500 4 HET BME A 501 4 HET SO4 A 700 5 HET BME B 502 4 HET BME B 503 4 HET BME B 504 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 *284(H2 O) SHEET 1 1 1 VAL B 5 LEU B 11 0 SHEET 2 2 1 CYS B 16 VAL B 23 0 SHEET 3 3 1 LEU B 32 ASP B 37 0 SHEET 4 4 1 ASN B 40 ALA B 51 0 SHEET 5 5 1 ASP B 54 ASP B 64 0 SHEET 6 6 1 SER B 83 PHE B 91 0 SHEET 7 7 1 ASN B 95 LYS B 99 0 SHEET 8 8 1 GLU B 105 PRO B 109 0 SHEET 9 9 1 ILE B 117 ALA B 122 0 SHEET 10 10 1 PHE B 126 ASP B 134 0 LINK C GLU A 15 N CSO A 16 1555 1555 1.33 LINK C CSO A 16 N LEU A 17 1555 1555 1.33 LINK SG CYS A 88 S2 BME A 500 1555 1555 1.92 LINK SG CYS A 130 S2 BME A 501 1555 1555 1.92 LINK SG CYS B 16 S2 BME B 502 1555 1555 1.93 LINK SG CYS B 88 S2 BME B 503 1555 1555 1.93 LINK SG CYS B 130 S2 BME B 504 1555 1555 1.93 LINK O4 BGC C 1 C1 GAL C 2 1555 1555 1.40 LINK O4 BGC D 1 C1 GAL D 2 1555 1555 1.40 CRYST1 36.979 88.805 93.944 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 0.027042 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011261 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010645 0.00000 MTRIX1 1 -0.401390 -0.370950 0.837430 43.90434 1 MTRIX2 1 -0.380530 -0.764130 -0.520870 110.70329 1 MTRIX3 1 0.833120 -0.527730 0.165560 18.67249 1 ATOM 1 N ALA B 1 35.416 45.128 45.364 1.00 44.76 N ATOM 2 CA ALA B 1 34.809 44.438 46.539 1.00 44.12 C ATOM 3 C ALA B 1 34.349 43.035 46.157 1.00 43.63 C ATOM 4 O ALA B 1 34.907 42.040 46.622 1.00 44.41 O ATOM 5 CB ALA B 1 33.631 45.248 47.064 1.00 44.04 C ATOM 6 N CYS B 2 33.330 42.966 45.306 1.00 41.80 N ATOM 7 CA CYS B 2 32.786 41.690 44.854 1.00 39.61 C ATOM 8 C CYS B 2 32.612 41.693 43.338 1.00 35.21 C ATOM 9 O CYS B 2 32.278 40.672 42.736 1.00 36.06 O ATOM 10 CB CYS B 2 31.438 41.422 45.529 1.00 41.83 C ATOM 11 SG CYS B 2 30.635 39.889 45.008 1.00 50.80 S ATOM 12 N GLY B 3 32.842 42.849 42.727 1.00 29.35 N ATOM 13 CA GLY B 3 32.710 42.958 41.289 1.00 23.28 C ATOM 14 C GLY B 3 34.045 42.807 40.586 1.00 19.96 C ATOM 15 O GLY B 3 35.030 42.367 41.180 1.00 18.09 O ATOM 16 N LEU B 4 34.076 43.181 39.314 1.00 18.24 N ATOM 17 CA LEU B 4 35.286 43.091 38.510 1.00 17.36 C ATOM 18 C LEU B 4 36.430 43.919 39.086 1.00 18.29 C ATOM 19 O LEU B 4 36.220 45.028 39.579 1.00 17.94 O ATOM 20 CB LEU B 4 34.983 43.551 37.080 1.00 19.46 C ATOM 21 CG LEU B 4 36.131 43.631 36.069 1.00 20.54 C ATOM 22 CD1 LEU B 4 35.554 43.679 34.668 1.00 23.65 C ATOM 23 CD2 LEU B 4 36.990 44.856 36.329 1.00 24.30 C ATOM 24 N VAL B 5 37.639 43.368 39.010 1.00 17.23 N ATOM 25 CA VAL B 5 38.842 44.038 39.485 1.00 17.69 C ATOM 26 C VAL B 5 39.855 44.016 38.345 1.00 18.51 C ATOM 27 O VAL B 5 40.174 42.953 37.809 1.00 20.49 O ATOM 28 CB VAL B 5 39.444 43.314 40.713 1.00 19.54 C ATOM 29 CG1 VAL B 5 40.739 43.987 41.136 1.00 20.72 C ATOM 30 CG2 VAL B 5 38.446 43.329 41.859 1.00 20.02 C ATOM 31 N ALA B 6 40.349 45.188 37.966 1.00 17.51 N ATOM 32 CA ALA B 6 41.322 45.284 36.885 1.00 16.80 C ATOM 33 C ALA B 6 42.588 45.969 37.367 1.00 17.48 C ATOM 34 O ALA B 6 42.525 46.973 38.076 1.00 18.26 O ATOM 35 CB ALA B 6 40.730 46.054 35.715 1.00 17.92 C ATOM 36 N SER B 7 43.734 45.415 36.985 1.00 15.82 N ATOM 37 CA SER B 7 45.030 45.972 37.358 1.00 16.76 C ATOM 38 C SER B 7 45.862 46.181 36.096 1.00 16.81 C ATOM 39 O SER B 7 45.542 45.637 35.040 1.00 15.66 O ATOM 40 CB SER B 7 45.758 45.037 38.332 1.00 19.66 C ATOM 41 OG SER B 7 45.912 43.739 37.786 1.00 24.13 O ATOM 42 N ASN B 8 46.929 46.966 36.212 1.00 17.06 N ATOM 43 CA ASN B 8 47.791 47.285 35.073 1.00 19.62 C ATOM 44 C ASN B 8 46.979 48.024 34.013 1.00 21.38 C ATOM 45 O ASN B 8 47.249 47.917 32.816 1.00 20.55 O ATOM 46 CB ASN B 8 48.392 46.016 34.460 1.00 22.06 C ATOM 47 CG ASN B 8 49.194 45.214 35.456 1.00 25.13 C ATOM 48 OD1 ASN B 8 49.921 45.774 36.277 1.00 25.56 O ATOM 49 ND2 ASN B 8 49.074 43.892 35.386 1.00 26.99 N ATOM 50 N LEU B 9 45.988 48.782 34.471 1.00 20.79 N ATOM 51 CA LEU B 9 45.109 49.546 33.593 1.00 21.08 C ATOM 52 C LEU B 9 45.907 50.503 32.710 1.00 21.46 C ATOM 53 O LEU B 9 45.593 50.686 31.533 1.00 22.87 O ATOM 54 CB LEU B 9 44.103 50.335 34.436 1.00 23.02 C ATOM 55 CG LEU B 9 42.758 50.688 33.801 1.00 22.72 C ATOM 56 CD1 LEU B 9 41.971 49.412 33.552 1.00 24.97 C ATOM 57 CD2 LEU B 9 41.978 51.611 34.723 1.00 24.80 C ATOM 58 N ASN B 10 46.936 51.110 33.294 1.00 19.90 N ATOM 59 CA ASN B 10 47.812 52.048 32.602 1.00 21.81 C ATOM 60 C ASN B 10 47.090 53.216 31.927 1.00 21.12 C ATOM 61 O ASN B 10 47.448 53.629 30.822 1.00 19.51 O ATOM 62 CB ASN B 10 48.669 51.306 31.573 1.00 23.72 C ATOM 63 CG ASN B 10 49.777 52.172 31.008 1.00 24.64 C ATOM 64 OD1 ASN B 10 50.469 52.873 31.747 1.00 25.88 O ATOM 65 ND2 ASN B 10 49.960 52.121 29.691 1.00 28.64 N ATOM 66 N LEU B 11 46.072 53.749 32.594 1.00 19.03 N ATOM 67 CA LEU B 11 45.333 54.882 32.048 1.00 17.25 C ATOM 68 C LEU B 11 46.188 56.131 32.240 1.00 17.88 C ATOM 69 O LEU B 11 46.657 56.412 33.345 1.00 17.01 O ATOM 70 CB LEU B 11 43.994 55.052 32.771 1.00 16.50 C ATOM 71 CG LEU B 11 43.044 56.070 32.130 1.00 16.51 C ATOM 72 CD1 LEU B 11 42.494 55.494 30.830 1.00 15.83 C ATOM 73 CD2 LEU B 11 41.900 56.394 33.082 1.00 16.42 C ATOM 74 N LYS B 12 46.389 56.880 31.161 1.00 18.53 N ATOM 75 CA LYS B 12 47.209 58.085 31.206 1.00 19.29 C ATOM 76 C LYS B 12 46.368 59.354 31.113 1.00 18.88 C ATOM 77 O LYS B 12 45.225 59.318 30.666 1.00 18.82 O ATOM 78 CB LYS B 12 48.225 58.044 30.061 1.00 20.74 C ATOM 79 CG LYS B 12 49.118 56.811 30.099 1.00 25.20 C ATOM 80 CD LYS B 12 49.925 56.637 28.819 1.00 28.64 C ATOM 81 CE LYS B 12 50.928 57.760 28.623 1.00 32.96 C ATOM 82 NZ LYS B 12 51.788 57.524 27.427 1.00 35.49 N ATOM 83 N PRO B 13 46.929 60.497 31.539 1.00 20.42 N ATOM 84 CA PRO B 13 46.209 61.772 31.493 1.00 21.96 C ATOM 85 C PRO B 13 45.648 62.047 30.106 1.00 23.07 C ATOM 86 O PRO B 13 46.346 61.883 29.104 1.00 25.22 O ATOM 87 CB PRO B 13 47.280 62.783 31.884 1.00 20.35 C ATOM 88 CG PRO B 13 48.137 62.009 32.820 1.00 20.68 C ATOM 89 CD PRO B 13 48.271 60.680 32.118 1.00 19.99 C ATOM 90 N GLY B 14 44.385 62.456 30.051 1.00 24.17 N ATOM 91 CA GLY B 14 43.769 62.755 28.773 1.00 24.19 C ATOM 92 C GLY B 14 42.989 61.609 28.161 1.00 25.02 C ATOM 93 O GLY B 14 42.051 61.839 27.400 1.00 26.01 O ATOM 94 N GLU B 15 43.371 60.374 28.476 1.00 23.33 N ATOM 95 CA GLU B 15 42.672 59.214 27.930 1.00 22.24 C ATOM 96 C GLU B 15 41.312 59.101 28.602 1.00 22.25 C ATOM 97 O GLU B 15 41.173 59.407 29.786 1.00 22.54 O ATOM 98 CB GLU B 15 43.486 57.943 28.167 1.00 22.95 C ATOM 99 CG GLU B 15 44.910 58.028 27.653 1.00 25.03 C ATOM 100 CD GLU B 15 45.632 56.696 27.709 1.00 25.88 C ATOM 101 OE1 GLU B 15 45.391 55.925 28.659 1.00 24.45 O ATOM 102 OE2 GLU B 15 46.451 56.425 26.807 1.00 30.47 O ATOM 103 N CYS B 16 40.307 58.661 27.853 1.00 20.72 N ATOM 104 CA CYS B 16 38.965 58.551 28.404 1.00 20.02 C ATOM 105 C CYS B 16 38.602 57.110 28.751 1.00 20.05 C ATOM 106 O CYS B 16 38.581 56.230 27.888 1.00 21.60 O ATOM 107 CB CYS B 16 37.942 59.108 27.412 1.00 21.94 C ATOM 108 SG CYS B 16 36.222 58.975 27.955 1.00 22.68 S ATOM 109 N LEU B 17 38.318 56.879 30.027 1.00 16.94 N ATOM 110 CA LEU B 17 37.929 55.561 30.497 1.00 16.52 C ATOM 111 C LEU B 17 36.409 55.507 30.517 1.00 16.59 C ATOM 112 O LEU B 17 35.763 56.290 31.216 1.00 15.88 O ATOM 113 CB LEU B 17 38.465 55.311 31.908 1.00 17.01 C ATOM 114 CG LEU B 17 38.026 53.992 32.554 1.00 19.00 C ATOM 115 CD1 LEU B 17 38.611 52.823 31.777 1.00 20.54 C ATOM 116 CD2 LEU B 17 38.483 53.949 34.005 1.00 19.24 C ATOM 117 N ARG B 18 35.836 54.598 29.736 1.00 15.93 N ATOM 118 CA ARG B 18 34.385 54.454 29.688 1.00 16.17 C ATOM 119 C ARG B 18 34.014 53.129 30.330 1.00 15.77 C ATOM 120 O ARG B 18 34.508 52.073 29.931 1.00 16.27 O ATOM 121 CB ARG B 18 33.884 54.484 28.244 1.00 16.52 C ATOM 122 CG ARG B 18 34.177 55.781 27.520 1.00 19.35 C ATOM 123 CD ARG B 18 33.649 55.749 26.097 1.00 21.85 C ATOM 124 NE ARG B 18 34.094 56.913 25.337 1.00 23.92 N ATOM 125 CZ ARG B 18 33.467 58.083 25.310 1.00 24.39 C ATOM 126 NH1 ARG B 18 32.349 58.258 26.001 1.00 27.61 N ATOM 127 NH2 ARG B 18 33.968 59.083 24.597 1.00 24.79 N ATOM 128 N VAL B 19 33.150 53.194 31.335 1.00 15.39 N ATOM 129 CA VAL B 19 32.722 52.001 32.049 1.00 15.37 C ATOM 130 C VAL B 19 31.206 51.902 32.056 1.00 15.74 C ATOM 131 O VAL B 19 30.523 52.799 32.549 1.00 14.57 O ATOM 132 CB VAL B 19 33.207 52.032 33.509 1.00 15.66 C ATOM 133 CG1 VAL B 19 32.814 50.740 34.214 1.00 15.91 C ATOM 134 CG2 VAL B 19 34.711 52.243 33.549 1.00 16.71 C ATOM 135 N ARG B 20 30.684 50.813 31.502 1.00 16.10 N ATOM 136 CA ARG B 20 29.245 50.597 31.458 1.00 17.74 C ATOM 137 C ARG B 20 28.944 49.356 32.287 1.00 18.30 C ATOM 138 O ARG B 20 29.630 48.336 32.164 1.00 16.02 O ATOM 139 CB ARG B 20 28.777 50.381 30.017 1.00 21.22 C ATOM 140 CG ARG B 20 27.267 50.285 29.871 1.00 26.03 C ATOM 141 CD ARG B 20 26.877 49.683 28.530 1.00 30.22 C ATOM 142 NE ARG B 20 27.390 50.443 27.394 1.00 34.15 N ATOM 143 CZ ARG B 20 27.000 51.672 27.073 1.00 37.49 C ATOM 144 NH1 ARG B 20 26.084 52.293 27.804 1.00 38.41 N ATOM 145 NH2 ARG B 20 27.521 52.279 26.014 1.00 38.45 N ATOM 146 N GLY B 21 27.931 49.443 33.140 1.00 18.92 N ATOM 147 CA GLY B 21 27.587 48.303 33.968 1.00 19.47 C ATOM 148 C GLY B 21 26.129 48.270 34.371 1.00 20.30 C ATOM 149 O GLY B 21 25.398 49.238 34.170 1.00 19.48 O ATOM 150 N GLU B 22 25.709 47.141 34.934 1.00 19.81 N ATOM 151 CA GLU B 22 24.337 46.969 35.388 1.00 20.46 C ATOM 152 C GLU B 22 24.250 47.175 36.893 1.00 19.23 C ATOM 153 O GLU B 22 24.938 46.501 37.658 1.00 20.63 O ATOM 154 CB GLU B 22 23.833 45.562 35.048 1.00 22.92 C ATOM 155 CG GLU B 22 23.552 45.333 33.573 1.00 29.15 C ATOM 156 CD GLU B 22 23.063 43.923 33.287 1.00 32.47 C ATOM 157 OE1 GLU B 22 22.117 43.470 33.964 1.00 36.12 O ATOM 158 OE2 GLU B 22 23.622 43.271 32.381 1.00 34.84 O ATOM 159 N VAL B 23 23.411 48.114 37.317 1.00 18.26 N ATOM 160 CA VAL B 23 23.228 48.372 38.738 1.00 19.18 C ATOM 161 C VAL B 23 22.220 47.337 39.239 1.00 19.70 C ATOM 162 O VAL B 23 21.130 47.220 38.690 1.00 19.96 O ATOM 163 CB VAL B 23 22.678 49.797 38.980 1.00 17.92 C ATOM 164 CG1 VAL B 23 22.460 50.033 40.467 1.00 17.80 C ATOM 165 CG2 VAL B 23 23.652 50.822 38.423 1.00 17.64 C ATOM 166 N ALA B 24 22.598 46.582 40.267 1.00 20.53 N ATOM 167 CA ALA B 24 21.733 45.543 40.825 1.00 21.15 C ATOM 168 C ALA B 24 20.331 46.060 41.145 1.00 22.04 C ATOM 169 O ALA B 24 20.163 47.177 41.633 1.00 22.97 O ATOM 170 CB ALA B 24 22.372 44.954 42.082 1.00 20.69 C ATOM 171 N PRO B 25 19.300 45.244 40.876 1.00 23.66 N ATOM 172 CA PRO B 25 17.915 45.648 41.146 1.00 23.92 C ATOM 173 C PRO B 25 17.631 45.997 42.606 1.00 23.60 C ATOM 174 O PRO B 25 16.812 46.871 42.891 1.00 23.68 O ATOM 175 CB PRO B 25 17.102 44.446 40.659 1.00 24.11 C ATOM 176 CG PRO B 25 18.045 43.297 40.856 1.00 24.69 C ATOM 177 CD PRO B 25 19.351 43.869 40.353 1.00 24.13 C ATOM 178 N ASP B 26 18.306 45.320 43.529 1.00 24.50 N ATOM 179 CA ASP B 26 18.100 45.580 44.951 1.00 26.81 C ATOM 180 C ASP B 26 19.205 46.443 45.555 1.00 25.76 C ATOM 181 O ASP B 26 19.316 46.556 46.774 1.00 24.98 O ATOM 182 CB ASP B 26 18.009 44.261 45.726 1.00 30.14 C ATOM 183 CG ASP B 26 19.250 43.399 45.564 1.00 33.07 C ATOM 184 OD1 ASP B 26 19.376 42.399 46.304 1.00 35.79 O ATOM 185 OD2 ASP B 26 20.095 43.710 44.696 1.00 34.64 O ATOM 186 N ALA B 27 20.010 47.058 44.696 1.00 23.76 N ATOM 187 CA ALA B 27 21.117 47.891 45.149 1.00 21.88 C ATOM 188 C ALA B 27 20.690 49.101 45.973 1.00 21.07 C ATOM 189 O ALA B 27 19.772 49.832 45.598 1.00 21.93 O ATOM 190 CB ALA B 27 21.941 48.353 43.945 1.00 22.77 C ATOM 191 N LYS B 28 21.362 49.303 47.102 1.00 19.07 N ATOM 192 CA LYS B 28 21.086 50.445 47.959 1.00 19.37 C ATOM 193 C LYS B 28 22.147 51.500 47.638 1.00 18.62 C ATOM 194 O LYS B 28 22.046 52.650 48.061 1.00 16.87 O ATOM 195 CB LYS B 28 21.159 50.046 49.434 1.00 20.96 C ATOM 196 CG LYS B 28 20.088 49.040 49.864 1.00 27.15 C ATOM 197 CD LYS B 28 20.263 48.655 51.328 1.00 31.36 C ATOM 198 CE LYS B 28 19.254 47.599 51.763 1.00 33.97 C ATOM 199 NZ LYS B 28 17.851 48.093 51.678 1.00 36.29 N ATOM 200 N SER B 29 23.151 51.081 46.867 1.00 16.79 N ATOM 201 CA SER B 29 24.258 51.934 46.439 1.00 16.39 C ATOM 202 C SER B 29 25.194 51.073 45.593 1.00 15.79 C ATOM 203 O SER B 29 25.007 49.868 45.493 1.00 16.71 O ATOM 204 CB SER B 29 25.036 52.448 47.653 1.00 15.87 C ATOM 205 OG SER B 29 25.738 51.383 48.285 1.00 17.16 O ATOM 206 N PHE B 30 26.177 51.689 44.951 1.00 14.92 N ATOM 207 CA PHE B 30 27.159 50.916 44.203 1.00 14.46 C ATOM 208 C PHE B 30 28.459 51.695 44.197 1.00 14.26 C ATOM 209 O PHE B 30 28.474 52.898 44.471 1.00 12.60 O ATOM 210 CB PHE B 30 26.663 50.536 42.789 1.00 13.54 C ATOM 211 CG PHE B 30 26.731 51.634 41.767 1.00 14.57 C ATOM 212 CD1 PHE B 30 27.902 51.862 41.047 1.00 14.04 C ATOM 213 CD2 PHE B 30 25.599 52.383 41.461 1.00 14.58 C ATOM 214 CE1 PHE B 30 27.941 52.816 40.029 1.00 14.29 C ATOM 215 CE2 PHE B 30 25.627 53.341 40.446 1.00 13.43 C ATOM 216 CZ PHE B 30 26.802 53.554 39.728 1.00 14.02 C ATOM 217 N VAL B 31 29.557 51.000 43.931 1.00 14.78 N ATOM 218 CA VAL B 31 30.870 51.627 43.961 1.00 14.15 C ATOM 219 C VAL B 31 31.755 51.286 42.777 1.00 13.73 C ATOM 220 O VAL B 31 31.752 50.160 42.291 1.00 14.39 O ATOM 221 CB VAL B 31 31.640 51.199 45.236 1.00 14.35 C ATOM 222 CG1 VAL B 31 33.095 51.670 45.162 1.00 16.23 C ATOM 223 CG2 VAL B 31 30.959 51.760 46.479 1.00 14.12 C ATOM 224 N LEU B 32 32.510 52.281 42.325 1.00 14.24 N ATOM 225 CA LEU B 32 33.482 52.105 41.257 1.00 13.61 C ATOM 226 C LEU B 32 34.721 52.797 41.823 1.00 12.42 C ATOM 227 O LEU B 32 34.699 54.002 42.064 1.00 12.52 O ATOM 228 CB LEU B 32 33.055 52.811 39.970 1.00 15.40 C ATOM 229 CG LEU B 32 33.390 52.145 38.626 1.00 21.32 C ATOM 230 CD1 LEU B 32 33.694 53.228 37.596 1.00 17.78 C ATOM 231 CD2 LEU B 32 34.566 51.190 38.755 1.00 20.20 C ATOM 232 N ASN B 33 35.781 52.031 42.063 1.00 12.68 N ATOM 233 CA ASN B 33 37.026 52.577 42.602 1.00 13.25 C ATOM 234 C ASN B 33 38.122 52.637 41.547 1.00 13.48 C ATOM 235 O ASN B 33 38.250 51.733 40.716 1.00 13.63 O ATOM 236 CB ASN B 33 37.539 51.727 43.772 1.00 13.04 C ATOM 237 CG ASN B 33 36.667 51.833 45.003 1.00 14.11 C ATOM 238 OD1 ASN B 33 36.047 52.868 45.253 1.00 12.83 O ATOM 239 ND2 ASN B 33 36.634 50.769 45.794 1.00 12.81 N ATOM 240 N LEU B 34 38.916 53.703 41.600 1.00 11.98 N ATOM 241 CA LEU B 34 40.029 53.899 40.678 1.00 12.63 C ATOM 242 C LEU B 34 41.231 54.376 41.475 1.00 14.13 C ATOM 243 O LEU B 34 41.088 55.190 42.389 1.00 13.01 O ATOM 244 CB LEU B 34 39.692 54.969 39.636 1.00 15.83 C ATOM 245 CG LEU B 34 38.623 54.684 38.583 1.00 15.67 C ATOM 246 CD1 LEU B 34 38.451 55.921 37.716 1.00 17.33 C ATOM 247 CD2 LEU B 34 39.031 53.495 37.734 1.00 17.77 C ATOM 248 N GLY B 35 42.414 53.874 41.136 1.00 12.63 N ATOM 249 CA GLY B 35 43.600 54.308 41.840 1.00 14.02 C ATOM 250 C GLY B 35 44.828 53.481 41.528 1.00 13.97 C ATOM 251 O GLY B 35 44.987 52.982 40.413 1.00 14.91 O ATOM 252 N LYS B 36 45.698 53.356 42.524 1.00 13.68 N ATOM 253 CA LYS B 36 46.935 52.588 42.402 1.00 16.51 C ATOM 254 C LYS B 36 46.674 51.152 42.831 1.00 17.22 C ATOM 255 O LYS B 36 47.149 50.206 42.202 1.00 19.58 O ATOM 256 CB LYS B 36 48.012 53.187 43.301 1.00 17.85 C ATOM 257 CG LYS B 36 48.327 54.641 43.020 1.00 23.36 C ATOM 258 CD LYS B 36 49.143 55.247 44.156 1.00 28.21 C ATOM 259 CE LYS B 36 50.421 54.463 44.407 1.00 30.12 C ATOM 260 NZ LYS B 36 51.204 55.038 45.538 1.00 32.59 N ATOM 261 N ASP B 37 45.932 51.011 43.927 1.00 16.71 N ATOM 262 CA ASP B 37 45.551 49.718 44.479 1.00 18.15 C ATOM 263 C ASP B 37 44.383 49.915 45.445 1.00 18.04 C ATOM 264 O ASP B 37 43.896 51.032 45.615 1.00 16.50 O ATOM 265 CB ASP B 37 46.735 49.042 45.192 1.00 18.94 C ATOM 266 CG ASP B 37 47.343 49.901 46.281 1.00 21.35 C ATOM 267 OD1 ASP B 37 46.591 50.554 47.031 1.00 19.22 O ATOM 268 OD2 ASP B 37 48.586 49.905 46.399 1.00 24.22 O ATOM 269 N SER B 38 43.935 48.838 46.082 1.00 17.44 N ATOM 270 CA SER B 38 42.798 48.915 46.993 1.00 19.08 C ATOM 271 C SER B 38 42.937 49.870 48.179 1.00 17.28 C ATOM 272 O SER B 38 41.931 50.272 48.763 1.00 18.27 O ATOM 273 CB SER B 38 42.453 47.514 47.517 1.00 20.56 C ATOM 274 OG SER B 38 43.538 46.958 48.240 1.00 22.40 O ATOM 275 N ASN B 39 44.168 50.231 48.539 1.00 16.46 N ATOM 276 CA ASN B 39 44.396 51.125 49.680 1.00 16.72 C ATOM 277 C ASN B 39 44.731 52.550 49.257 1.00 14.30 C ATOM 278 O ASN B 39 44.881 53.436 50.095 1.00 14.18 O ATOM 279 CB ASN B 39 45.545 50.599 50.546 1.00 18.85 C ATOM 280 CG ASN B 39 45.284 49.206 51.084 1.00 23.41 C ATOM 281 OD1 ASN B 39 44.271 48.958 51.733 1.00 24.54 O ATOM 282 ND2 ASN B 39 46.207 48.287 50.818 1.00 26.46 N ATOM 283 N ASN B 40 44.852 52.761 47.953 1.00 13.02 N ATOM 284 CA ASN B 40 45.205 54.063 47.409 1.00 12.73 C ATOM 285 C ASN B 40 44.303 54.369 46.227 1.00 12.33 C ATOM 286 O ASN B 40 44.595 53.988 45.097 1.00 12.44 O ATOM 287 CB ASN B 40 46.666 54.034 46.974 1.00 12.61 C ATOM 288 CG ASN B 40 47.608 53.895 48.149 1.00 13.85 C ATOM 289 OD1 ASN B 40 47.965 54.882 48.789 1.00 13.35 O ATOM 290 ND2 ASN B 40 47.994 52.662 48.458 1.00 16.48 N ATOM 291 N LEU B 41 43.211 55.074 46.500 1.00 9.81 N ATOM 292 CA LEU B 41 42.226 55.401 45.478 1.00 10.94 C ATOM 293 C LEU B 41 42.181 56.893 45.162 1.00 10.24 C ATOM 294 O LEU B 41 42.003 57.711 46.065 1.00 11.24 O ATOM 295 CB LEU B 41 40.841 54.956 45.959 1.00 11.04 C ATOM 296 CG LEU B 41 40.710 53.501 46.422 1.00 11.54 C ATOM 297 CD1 LEU B 41 39.329 53.257 47.029 1.00 14.04 C ATOM 298 CD2 LEU B 41 40.970 52.577 45.239 1.00 13.03 C ATOM 299 N CYS B 42 42.354 57.252 43.895 1.00 10.92 N ATOM 300 CA CYS B 42 42.268 58.660 43.527 1.00 11.45 C ATOM 301 C CYS B 42 40.784 58.985 43.366 1.00 12.30 C ATOM 302 O CYS B 42 40.384 60.149 43.381 1.00 11.74 O ATOM 303 CB CYS B 42 43.043 58.963 42.235 1.00 12.97 C ATOM 304 SG CYS B 42 42.599 58.002 40.768 1.00 16.60 S ATOM 305 N LEU B 43 39.966 57.946 43.224 1.00 12.44 N ATOM 306 CA LEU B 43 38.530 58.150 43.096 1.00 12.38 C ATOM 307 C LEU B 43 37.679 56.985 43.576 1.00 12.49 C ATOM 308 O LEU B 43 37.729 55.890 43.018 1.00 13.75 O ATOM 309 CB LEU B 43 38.145 58.477 41.645 1.00 13.17 C ATOM 310 CG LEU B 43 36.640 58.700 41.410 1.00 14.00 C ATOM 311 CD1 LEU B 43 36.182 59.935 42.167 1.00 13.65 C ATOM 312 CD2 LEU B 43 36.353 58.857 39.921 1.00 16.21 C ATOM 313 N HIS B 44 36.918 57.232 44.635 1.00 11.18 N ATOM 314 CA HIS B 44 35.971 56.263 45.180 1.00 10.29 C ATOM 315 C HIS B 44 34.654 56.916 44.745 1.00 11.60 C ATOM 316 O HIS B 44 34.233 57.916 45.332 1.00 12.58 O ATOM 317 CB HIS B 44 36.081 56.214 46.709 1.00 10.70 C ATOM 318 CG HIS B 44 34.984 55.450 47.388 1.00 12.91 C ATOM 319 ND1 HIS B 44 34.826 54.086 47.260 1.00 12.13 N ATOM 320 CD2 HIS B 44 34.014 55.861 48.241 1.00 12.38 C ATOM 321 CE1 HIS B 44 33.810 53.689 48.006 1.00 13.17 C ATOM 322 NE2 HIS B 44 33.301 54.747 48.613 1.00 12.96 N ATOM 323 N PHE B 45 34.050 56.381 43.684 1.00 9.82 N ATOM 324 CA PHE B 45 32.797 56.897 43.114 1.00 10.55 C ATOM 325 C PHE B 45 31.664 56.076 43.720 1.00 10.08 C ATOM 326 O PHE B 45 31.508 54.900 43.400 1.00 11.40 O ATOM 327 CB PHE B 45 32.837 56.724 41.594 1.00 11.05 C ATOM 328 CG PHE B 45 31.615 57.234 40.889 1.00 10.73 C ATOM 329 CD1 PHE B 45 31.399 58.602 40.744 1.00 10.68 C ATOM 330 CD2 PHE B 45 30.681 56.344 40.372 1.00 11.27 C ATOM 331 CE1 PHE B 45 30.261 59.078 40.089 1.00 8.41 C ATOM 332 CE2 PHE B 45 29.540 56.810 39.714 1.00 10.96 C ATOM 333 CZ PHE B 45 29.333 58.177 39.574 1.00 10.58 C ATOM 334 N ASN B 46 30.847 56.710 44.553 1.00 10.53 N ATOM 335 CA ASN B 46 29.811 55.987 45.283 1.00 11.37 C ATOM 336 C ASN B 46 28.368 56.511 45.242 1.00 11.51 C ATOM 337 O ASN B 46 27.945 57.246 46.133 1.00 10.88 O ATOM 338 CB ASN B 46 30.310 55.899 46.736 1.00 11.49 C ATOM 339 CG ASN B 46 29.392 55.120 47.660 1.00 13.93 C ATOM 340 OD1 ASN B 46 29.440 55.318 48.876 1.00 13.78 O ATOM 341 ND2 ASN B 46 28.587 54.217 47.112 1.00 14.12 N ATOM 342 N PRO B 47 27.601 56.156 44.196 1.00 11.02 N ATOM 343 CA PRO B 47 26.214 56.633 44.161 1.00 10.67 C ATOM 344 C PRO B 47 25.429 55.891 45.248 1.00 12.01 C ATOM 345 O PRO B 47 25.437 54.659 45.300 1.00 12.17 O ATOM 346 CB PRO B 47 25.750 56.246 42.757 1.00 10.63 C ATOM 347 CG PRO B 47 27.019 56.323 41.956 1.00 11.18 C ATOM 348 CD PRO B 47 28.011 55.649 42.876 1.00 10.72 C ATOM 349 N ARG B 48 24.767 56.637 46.123 1.00 11.38 N ATOM 350 CA ARG B 48 23.991 56.032 47.194 1.00 12.50 C ATOM 351 C ARG B 48 22.504 56.279 46.987 1.00 12.40 C ATOM 352 O ARG B 48 22.067 57.425 46.944 1.00 14.42 O ATOM 353 CB ARG B 48 24.419 56.616 48.542 1.00 12.77 C ATOM 354 CG ARG B 48 25.860 56.308 48.892 1.00 11.11 C ATOM 355 CD ARG B 48 26.293 56.972 50.183 1.00 13.47 C ATOM 356 NE ARG B 48 27.687 56.652 50.478 1.00 14.33 N ATOM 357 CZ ARG B 48 28.373 57.137 51.507 1.00 16.02 C ATOM 358 NH1 ARG B 48 29.638 56.777 51.683 1.00 16.49 N ATOM 359 NH2 ARG B 48 27.803 57.981 52.357 1.00 14.98 N ATOM 360 N PHE B 49 21.729 55.207 46.855 1.00 14.36 N ATOM 361 CA PHE B 49 20.286 55.346 46.680 1.00 14.72 C ATOM 362 C PHE B 49 19.700 55.568 48.065 1.00 14.98 C ATOM 363 O PHE B 49 18.965 56.528 48.298 1.00 13.88 O ATOM 364 CB PHE B 49 19.704 54.087 46.027 1.00 15.11 C ATOM 365 CG PHE B 49 20.264 53.811 44.661 1.00 15.74 C ATOM 366 CD1 PHE B 49 21.195 52.799 44.463 1.00 16.60 C ATOM 367 CD2 PHE B 49 19.893 54.601 43.577 1.00 17.72 C ATOM 368 CE1 PHE B 49 21.752 52.576 43.203 1.00 17.72 C ATOM 369 CE2 PHE B 49 20.442 54.388 42.317 1.00 18.60 C ATOM 370 CZ PHE B 49 21.376 53.372 42.131 1.00 18.24 C ATOM 371 N ASN B 50 20.045 54.673 48.983 1.00 14.97 N ATOM 372 CA ASN B 50 19.623 54.766 50.375 1.00 17.81 C ATOM 373 C ASN B 50 20.657 53.963 51.151 1.00 18.04 C ATOM 374 O ASN B 50 20.495 52.761 51.361 1.00 19.85 O ATOM 375 CB ASN B 50 18.224 54.172 50.575 1.00 19.71 C ATOM 376 CG ASN B 50 17.177 54.856 49.719 1.00 22.63 C ATOM 377 OD1 ASN B 50 17.007 54.527 48.544 1.00 26.08 O ATOM 378 ND2 ASN B 50 16.481 55.830 50.298 1.00 26.53 N ATOM 379 N ALA B 51 21.734 54.629 51.555 1.00 17.07 N ATOM 380 CA ALA B 51 22.801 53.950 52.272 1.00 17.11 C ATOM 381 C ALA B 51 23.658 54.907 53.086 1.00 17.59 C ATOM 382 O ALA B 51 23.835 56.070 52.718 1.00 14.82 O ATOM 383 CB ALA B 51 23.673 53.191 51.281 1.00 17.56 C ATOM 384 N HIS B 52 24.185 54.399 54.196 1.00 17.12 N ATOM 385 CA HIS B 52 25.043 55.168 55.087 1.00 19.70 C ATOM 386 C HIS B 52 24.398 56.467 55.553 1.00 19.37 C ATOM 387 O HIS B 52 25.090 57.431 55.893 1.00 21.08 O ATOM 388 CB HIS B 52 26.381 55.457 54.398 1.00 23.50 C ATOM 389 CG HIS B 52 27.113 54.221 53.974 1.00 28.27 C ATOM 390 ND1 HIS B 52 27.596 53.296 54.875 1.00 30.75 N ATOM 391 CD2 HIS B 52 27.412 53.740 52.744 1.00 29.15 C ATOM 392 CE1 HIS B 52 28.158 52.297 54.218 1.00 31.13 C ATOM 393 NE2 HIS B 52 28.060 52.542 52.924 1.00 30.50 N ATOM 394 N GLY B 53 23.068 56.478 55.572 1.00 19.35 N ATOM 395 CA GLY B 53 22.336 57.650 56.015 1.00 18.41 C ATOM 396 C GLY B 53 21.987 58.647 54.926 1.00 17.87 C ATOM 397 O GLY B 53 21.307 59.638 55.198 1.00 19.46 O ATOM 398 N ASP B 54 22.446 58.395 53.702 1.00 14.38 N ATOM 399 CA ASP B 54 22.177 59.295 52.582 1.00 14.21 C ATOM 400 C ASP B 54 21.139 58.739 51.615 1.00 13.74 C ATOM 401 O ASP B 54 20.936 57.526 51.528 1.00 14.79 O ATOM 402 CB ASP B 54 23.448 59.567 51.774 1.00 13.27 C ATOM 403 CG ASP B 54 24.576 60.131 52.613 1.00 12.74 C ATOM 404 OD1 ASP B 54 24.300 60.864 53.587 1.00 13.75 O ATOM 405 OD2 ASP B 54 25.746 59.848 52.280 1.00 14.12 O ATOM 406 N ALA B 55 20.493 59.641 50.883 1.00 11.49 N ATOM 407 CA ALA B 55 19.505 59.255 49.885 1.00 12.85 C ATOM 408 C ALA B 55 19.841 59.948 48.565 1.00 13.02 C ATOM 409 O ALA B 55 20.180 61.136 48.552 1.00 13.72 O ATOM 410 CB ALA B 55 18.103 59.661 50.341 1.00 13.06 C ATOM 411 N ASN B 56 19.755 59.193 47.472 1.00 11.52 N ATOM 412 CA ASN B 56 20.013 59.684 46.119 1.00 11.88 C ATOM 413 C ASN B 56 21.109 60.743 46.039 1.00 11.32 C ATOM 414 O ASN B 56 20.874 61.862 45.578 1.00 10.78 O ATOM 415 CB ASN B 56 18.716 60.236 45.531 1.00 14.09 C ATOM 416 CG ASN B 56 17.605 59.200 45.509 1.00 17.86 C ATOM 417 OD1 ASN B 56 16.425 59.537 45.626 1.00 27.64 O ATOM 418 ND2 ASN B 56 17.973 57.939 45.347 1.00 14.90 N ATOM 419 N THR B 57 22.306 60.376 46.484 1.00 10.67 N ATOM 420 CA THR B 57 23.440 61.289 46.476 1.00 11.09 C ATOM 421 C THR B 57 24.700 60.578 46.008 1.00 10.83 C ATOM 422 O THR B 57 24.982 59.461 46.437 1.00 10.81 O ATOM 423 CB THR B 57 23.716 61.841 47.890 1.00 13.42 C ATOM 424 OG1 THR B 57 22.545 62.502 48.385 1.00 12.18 O ATOM 425 CG2 THR B 57 24.878 62.827 47.863 1.00 13.01 C ATOM 426 N ILE B 58 25.454 61.223 45.125 1.00 9.70 N ATOM 427 CA ILE B 58 26.706 60.645 44.656 1.00 9.34 C ATOM 428 C ILE B 58 27.776 61.132 45.620 1.00 8.46 C ATOM 429 O ILE B 58 27.967 62.337 45.787 1.00 8.27 O ATOM 430 CB ILE B 58 27.091 61.136 43.246 1.00 10.62 C ATOM 431 CG1 ILE B 58 26.072 60.657 42.213 1.00 11.81 C ATOM 432 CG2 ILE B 58 28.481 60.612 42.875 1.00 10.28 C ATOM 433 CD1 ILE B 58 26.316 61.237 40.821 1.00 12.44 C ATOM 434 N VAL B 59 28.454 60.200 46.274 1.00 9.34 N ATOM 435 CA VAL B 59 29.516 60.565 47.201 1.00 10.08 C ATOM 436 C VAL B 59 30.848 60.166 46.580 1.00 10.51 C ATOM 437 O VAL B 59 31.005 59.041 46.112 1.00 11.33 O ATOM 438 CB VAL B 59 29.362 59.822 48.551 1.00 10.37 C ATOM 439 CG1 VAL B 59 30.523 60.178 49.482 1.00 13.98 C ATOM 440 CG2 VAL B 59 28.043 60.193 49.199 1.00 12.05 C ATOM 441 N CYS B 60 31.799 61.093 46.563 1.00 9.32 N ATOM 442 CA CYS B 60 33.126 60.808 46.032 1.00 8.54 C ATOM 443 C CYS B 60 34.142 61.054 47.127 1.00 8.04 C ATOM 444 O CYS B 60 33.967 61.941 47.964 1.00 10.73 O ATOM 445 CB CYS B 60 33.464 61.723 44.853 1.00 7.53 C ATOM 446 SG CYS B 60 32.536 61.387 43.345 1.00 10.72 S ATOM 447 N ASN B 61 35.201 60.257 47.137 1.00 8.40 N ATOM 448 CA ASN B 61 36.248 60.467 48.125 1.00 8.40 C ATOM 449 C ASN B 61 37.534 59.853 47.616 1.00 8.67 C ATOM 450 O ASN B 61 37.545 59.151 46.601 1.00 9.33 O ATOM 451 CB ASN B 61 35.867 59.843 49.474 1.00 10.28 C ATOM 452 CG ASN B 61 36.605 60.483 50.640 1.00 10.19 C ATOM 453 OD1 ASN B 61 37.437 61.372 50.454 1.00 9.17 O ATOM 454 ND2 ASN B 61 36.297 60.037 51.853 1.00 9.02 N ATOM 455 N SER B 62 38.625 60.151 48.312 1.00 9.93 N ATOM 456 CA SER B 62 39.928 59.604 47.968 1.00 8.46 C ATOM 457 C SER B 62 40.380 58.767 49.162 1.00 9.78 C ATOM 458 O SER B 62 39.907 58.959 50.284 1.00 9.52 O ATOM 459 CB SER B 62 40.930 60.735 47.729 1.00 8.04 C ATOM 460 OG SER B 62 41.020 61.552 48.884 1.00 8.41 O ATOM 461 N LYS B 63 41.287 57.831 48.914 1.00 8.77 N ATOM 462 CA LYS B 63 41.824 56.985 49.972 1.00 10.55 C ATOM 463 C LYS B 63 43.326 57.002 49.723 1.00 10.26 C ATOM 464 O LYS B 63 43.787 56.605 48.653 1.00 11.21 O ATOM 465 CB LYS B 63 41.265 55.568 49.853 1.00 11.20 C ATOM 466 CG LYS B 63 41.459 54.720 51.097 1.00 13.70 C ATOM 467 CD LYS B 63 40.824 53.352 50.912 1.00 18.74 C ATOM 468 CE LYS B 63 40.878 52.540 52.188 1.00 22.57 C ATOM 469 NZ LYS B 63 40.230 51.211 52.004 1.00 23.09 N ATOM 470 N ASP B 64 44.085 57.482 50.703 1.00 10.59 N ATOM 471 CA ASP B 64 45.533 57.601 50.556 1.00 11.42 C ATOM 472 C ASP B 64 46.256 56.845 51.664 1.00 10.77 C ATOM 473 O ASP B 64 46.141 57.190 52.841 1.00 11.21 O ATOM 474 CB ASP B 64 45.914 59.084 50.597 1.00 13.87 C ATOM 475 CG ASP B 64 47.242 59.368 49.927 1.00 18.35 C ATOM 476 OD1 ASP B 64 48.015 58.415 49.700 1.00 19.39 O ATOM 477 OD2 ASP B 64 47.514 60.554 49.637 1.00 22.51 O ATOM 478 N GLY B 65 46.999 55.813 51.283 1.00 12.40 N ATOM 479 CA GLY B 65 47.712 55.028 52.273 1.00 12.83 C ATOM 480 C GLY B 65 46.731 54.435 53.263 1.00 13.92 C ATOM 481 O GLY B 65 47.058 54.241 54.436 1.00 15.44 O ATOM 482 N GLY B 66 45.522 54.162 52.781 1.00 12.62 N ATOM 483 CA GLY B 66 44.483 53.585 53.616 1.00 12.99 C ATOM 484 C GLY B 66 43.548 54.577 54.285 1.00 11.93 C ATOM 485 O GLY B 66 42.466 54.204 54.734 1.00 14.36 O ATOM 486 N ALA B 67 43.947 55.843 54.345 1.00 11.11 N ATOM 487 CA ALA B 67 43.134 56.863 55.002 1.00 10.58 C ATOM 488 C ALA B 67 42.125 57.535 54.082 1.00 10.30 C ATOM 489 O ALA B 67 42.478 58.005 53.005 1.00 11.03 O ATOM 490 CB ALA B 67 44.041 57.924 55.619 1.00 9.85 C ATOM 491 N TRP B 68 40.870 57.596 54.517 1.00 10.66 N ATOM 492 CA TRP B 68 39.836 58.254 53.722 1.00 10.34 C ATOM 493 C TRP B 68 39.967 59.762 53.884 1.00 10.85 C ATOM 494 O TRP B 68 40.213 60.255 54.989 1.00 11.75 O ATOM 495 CB TRP B 68 38.440 57.827 54.178 1.00 11.39 C ATOM 496 CG TRP B 68 38.070 56.446 53.763 1.00 12.03 C ATOM 497 CD1 TRP B 68 37.933 55.350 54.569 1.00 14.11 C ATOM 498 CD2 TRP B 68 37.768 56.011 52.435 1.00 12.49 C ATOM 499 NE1 TRP B 68 37.560 54.254 53.820 1.00 13.66 N ATOM 500 CE2 TRP B 68 37.450 54.635 52.506 1.00 13.49 C ATOM 501 CE3 TRP B 68 37.731 56.652 51.187 1.00 11.15 C ATOM 502 CZ2 TRP B 68 37.101 53.889 51.377 1.00 15.28 C ATOM 503 CZ3 TRP B 68 37.383 55.907 50.062 1.00 10.63 C ATOM 504 CH2 TRP B 68 37.073 54.541 50.167 1.00 13.83 C ATOM 505 N GLY B 69 39.791 60.490 52.785 1.00 10.00 N ATOM 506 CA GLY B 69 39.891 61.937 52.831 1.00 10.87 C ATOM 507 C GLY B 69 38.544 62.592 53.071 1.00 11.48 C ATOM 508 O GLY B 69 37.631 61.972 53.614 1.00 12.16 O ATOM 509 N THR B 70 38.418 63.854 52.683 1.00 10.74 N ATOM 510 CA THR B 70 37.152 64.559 52.857 1.00 10.40 C ATOM 511 C THR B 70 36.238 64.279 51.670 1.00 9.80 C ATOM 512 O THR B 70 36.608 64.503 50.513 1.00 10.75 O ATOM 513 CB THR B 70 37.367 66.075 52.976 1.00 11.78 C ATOM 514 OG1 THR B 70 38.157 66.348 54.137 1.00 9.38 O ATOM 515 CG2 THR B 70 36.027 66.796 53.109 1.00 12.06 C ATOM 516 N GLU B 71 35.040 63.789 51.963 1.00 9.73 N ATOM 517 CA GLU B 71 34.076 63.467 50.916 1.00 8.54 C ATOM 518 C GLU B 71 33.539 64.702 50.207 1.00 9.00 C ATOM 519 O GLU B 71 33.545 65.808 50.752 1.00 11.17 O ATOM 520 CB GLU B 71 32.883 62.711 51.510 1.00 10.49 C ATOM 521 CG GLU B 71 33.249 61.470 52.287 1.00 10.03 C ATOM 522 CD GLU B 71 32.053 60.846 52.975 1.00 14.70 C ATOM 523 OE1 GLU B 71 31.101 61.584 53.309 1.00 13.51 O ATOM 524 OE2 GLU B 71 32.074 59.619 53.200 1.00 13.96 O ATOM 525 N GLN B 72 33.082 64.497 48.978 1.00 9.48 N ATOM 526 CA GLN B 72 32.458 65.556 48.195 1.00 9.47 C ATOM 527 C GLN B 72 31.191 64.941 47.626 1.00 9.68 C ATOM 528 O GLN B 72 31.213 63.820 47.107 1.00 10.63 O ATOM 529 CB GLN B 72 33.359 66.037 47.054 1.00 11.05 C ATOM 530 CG GLN B 72 34.624 66.736 47.534 1.00 11.66 C ATOM 531 CD GLN B 72 35.344 67.485 46.430 1.00 13.37 C ATOM 532 OE1 GLN B 72 34.958 67.425 45.266 1.00 13.51 O ATOM 533 NE2 GLN B 72 36.401 68.200 46.796 1.00 14.97 N ATOM 534 N ARG B 73 30.081 65.660 47.752 1.00 9.23 N ATOM 535 CA ARG B 73 28.808 65.174 47.232 1.00 9.73 C ATOM 536 C ARG B 73 28.457 65.968 45.983 1.00 11.05 C ATOM 537 O ARG B 73 28.729 67.166 45.901 1.00 13.51 O ATOM 538 CB ARG B 73 27.729 65.294 48.313 1.00 9.65 C ATOM 539 CG ARG B 73 27.957 64.278 49.423 1.00 9.09 C ATOM 540 CD ARG B 73 27.037 64.450 50.622 1.00 8.99 C ATOM 541 NE ARG B 73 27.042 63.231 51.427 1.00 10.81 N ATOM 542 CZ ARG B 73 28.104 62.759 52.074 1.00 11.94 C ATOM 543 NH1 ARG B 73 28.009 61.632 52.765 1.00 12.60 N ATOM 544 NH2 ARG B 73 29.256 63.425 52.054 1.00 11.15 N ATOM 545 N GLU B 74 27.861 65.298 45.004 1.00 10.87 N ATOM 546 CA GLU B 74 27.551 65.959 43.744 1.00 10.30 C ATOM 547 C GLU B 74 26.156 66.564 43.649 1.00 11.47 C ATOM 548 O GLU B 74 25.271 66.260 44.443 1.00 10.16 O ATOM 549 CB GLU B 74 27.800 64.994 42.589 1.00 10.82 C ATOM 550 CG GLU B 74 29.176 64.298 42.646 1.00 10.89 C ATOM 551 CD GLU B 74 30.354 65.262 42.808 1.00 13.95 C ATOM 552 OE1 GLU B 74 30.303 66.380 42.259 1.00 12.49 O ATOM 553 OE2 GLU B 74 31.351 64.886 43.471 1.00 10.78 O ATOM 554 N ALA B 75 25.973 67.419 42.653 1.00 9.93 N ATOM 555 CA ALA B 75 24.713 68.136 42.481 1.00 10.76 C ATOM 556 C ALA B 75 23.547 67.381 41.869 1.00 11.10 C ATOM 557 O ALA B 75 22.397 67.791 42.035 1.00 12.00 O ATOM 558 CB ALA B 75 24.962 69.391 41.672 1.00 11.24 C ATOM 559 N VAL B 76 23.833 66.293 41.165 1.00 9.45 N ATOM 560 CA VAL B 76 22.789 65.534 40.483 1.00 9.40 C ATOM 561 C VAL B 76 22.821 64.051 40.828 1.00 11.76 C ATOM 562 O VAL B 76 23.754 63.570 41.468 1.00 11.38 O ATOM 563 CB VAL B 76 22.943 65.674 38.950 1.00 9.64 C ATOM 564 CG1 VAL B 76 22.894 67.148 38.546 1.00 11.69 C ATOM 565 CG2 VAL B 76 24.274 65.050 38.504 1.00 12.52 C ATOM 566 N PHE B 77 21.799 63.321 40.395 1.00 10.95 N ATOM 567 CA PHE B 77 21.751 61.889 40.658 1.00 11.98 C ATOM 568 C PHE B 77 21.014 61.145 39.548 1.00 13.69 C ATOM 569 O PHE B 77 19.869 60.718 39.718 1.00 14.57 O ATOM 570 CB PHE B 77 21.085 61.616 42.010 1.00 12.61 C ATOM 571 CG PHE B 77 21.286 60.212 42.502 1.00 12.56 C ATOM 572 CD1 PHE B 77 20.349 59.220 42.231 1.00 13.37 C ATOM 573 CD2 PHE B 77 22.438 59.870 43.202 1.00 12.96 C ATOM 574 CE1 PHE B 77 20.557 57.908 42.649 1.00 15.48 C ATOM 575 CE2 PHE B 77 22.657 58.564 43.625 1.00 13.84 C ATOM 576 CZ PHE B 77 21.712 57.578 43.346 1.00 14.23 C ATOM 577 N PRO B 78 21.675 60.976 38.393 1.00 12.93 N ATOM 578 CA PRO B 78 21.112 60.288 37.227 1.00 14.22 C ATOM 579 C PRO B 78 21.297 58.772 37.271 1.00 15.06 C ATOM 580 O PRO B 78 21.802 58.170 36.320 1.00 18.45 O ATOM 581 CB PRO B 78 21.857 60.936 36.067 1.00 13.28 C ATOM 582 CG PRO B 78 23.228 61.124 36.641 1.00 15.08 C ATOM 583 CD PRO B 78 22.953 61.631 38.049 1.00 13.81 C ATOM 584 N PHE B 79 20.899 58.162 38.383 1.00 15.59 N ATOM 585 CA PHE B 79 21.015 56.718 38.543 1.00 16.90 C ATOM 586 C PHE B 79 19.762 56.104 39.151 1.00 18.53 C ATOM 587 O PHE B 79 18.950 56.792 39.773 1.00 18.32 O ATOM 588 CB PHE B 79 22.207 56.362 39.439 1.00 15.98 C ATOM 589 CG PHE B 79 23.532 56.765 38.876 1.00 13.52 C ATOM 590 CD1 PHE B 79 24.164 57.925 39.314 1.00 15.02 C ATOM 591 CD2 PHE B 79 24.151 55.986 37.905 1.00 15.29 C ATOM 592 CE1 PHE B 79 25.397 58.305 38.792 1.00 15.96 C ATOM 593 CE2 PHE B 79 25.385 56.355 37.376 1.00 16.70 C ATOM 594 CZ PHE B 79 26.009 57.518 37.822 1.00 13.29 C ATOM 595 N GLN B 80 19.624 54.797 38.972 1.00 19.82 N ATOM 596 CA GLN B 80 18.494 54.054 39.516 1.00 22.73 C ATOM 597 C GLN B 80 18.852 52.575 39.587 1.00 22.32 C ATOM 598 O GLN B 80 19.592 52.067 38.745 1.00 21.86 O ATOM 599 CB GLN B 80 17.254 54.236 38.642 1.00 26.30 C ATOM 600 CG GLN B 80 17.469 53.891 37.181 1.00 30.67 C ATOM 601 CD GLN B 80 16.171 53.869 36.395 1.00 33.72 C ATOM 602 OE1 GLN B 80 16.177 53.852 35.163 1.00 36.89 O ATOM 603 NE2 GLN B 80 15.047 53.860 37.107 1.00 34.11 N ATOM 604 N PRO B 81 18.343 51.867 40.608 1.00 21.85 N ATOM 605 CA PRO B 81 18.623 50.437 40.766 1.00 22.52 C ATOM 606 C PRO B 81 18.111 49.653 39.561 1.00 22.20 C ATOM 607 O PRO B 81 17.235 50.124 38.837 1.00 23.86 O ATOM 608 CB PRO B 81 17.866 50.076 42.043 1.00 21.75 C ATOM 609 CG PRO B 81 17.880 51.353 42.820 1.00 23.81 C ATOM 610 CD PRO B 81 17.582 52.382 41.759 1.00 22.53 C ATOM 611 N GLY B 82 18.663 48.462 39.352 1.00 22.21 N ATOM 612 CA GLY B 82 18.236 47.624 38.245 1.00 25.12 C ATOM 613 C GLY B 82 18.180 48.329 36.904 1.00 25.83 C ATOM 614 O GLY B 82 17.129 48.382 36.265 1.00 26.22 O ATOM 615 N SER B 83 19.317 48.869 36.475 1.00 25.50 N ATOM 616 CA SER B 83 19.400 49.568 35.199 1.00 25.33 C ATOM 617 C SER B 83 20.852 49.635 34.752 1.00 24.84 C ATOM 618 O SER B 83 21.766 49.426 35.552 1.00 25.09 O ATOM 619 CB SER B 83 18.854 50.990 35.333 1.00 26.76 C ATOM 620 OG SER B 83 19.683 51.765 36.182 1.00 30.02 O ATOM 621 N VAL B 84 21.059 49.930 33.474 1.00 22.07 N ATOM 622 CA VAL B 84 22.404 50.037 32.930 1.00 22.18 C ATOM 623 C VAL B 84 22.860 51.489 33.006 1.00 21.59 C ATOM 624 O VAL B 84 22.128 52.404 32.626 1.00 21.42 O ATOM 625 CB VAL B 84 22.454 49.563 31.464 1.00 22.44 C ATOM 626 CG1 VAL B 84 23.838 49.803 30.881 1.00 24.08 C ATOM 627 CG2 VAL B 84 22.103 48.082 31.391 1.00 23.45 C ATOM 628 N ALA B 85 24.069 51.695 33.513 1.00 20.82 N ATOM 629 CA ALA B 85 24.613 53.039 33.641 1.00 19.91 C ATOM 630 C ALA B 85 26.053 53.077 33.159 1.00 20.70 C ATOM 631 O ALA B 85 26.823 52.150 33.406 1.00 19.76 O ATOM 632 CB ALA B 85 24.543 53.491 35.089 1.00 20.70 C ATOM 633 N GLU B 86 26.410 54.156 32.473 1.00 19.34 N ATOM 634 CA GLU B 86 27.766 54.322 31.976 1.00 20.28 C ATOM 635 C GLU B 86 28.347 55.616 32.518 1.00 18.62 C ATOM 636 O GLU B 86 27.646 56.624 32.627 1.00 18.40 O ATOM 637 CB GLU B 86 27.786 54.371 30.444 1.00 22.36 C ATOM 638 CG GLU B 86 29.202 54.399 29.857 1.00 25.85 C ATOM 639 CD GLU B 86 29.218 54.520 28.343 1.00 29.43 C ATOM 640 OE1 GLU B 86 28.970 55.628 27.824 1.00 33.40 O ATOM 641 OE2 GLU B 86 29.474 53.503 27.671 1.00 32.63 O ATOM 642 N VAL B 87 29.622 55.572 32.885 1.00 16.85 N ATOM 643 CA VAL B 87 30.317 56.753 33.373 1.00 15.96 C ATOM 644 C VAL B 87 31.591 56.867 32.554 1.00 16.33 C ATOM 645 O VAL B 87 32.153 55.860 32.131 1.00 14.61 O ATOM 646 CB VAL B 87 30.672 56.658 34.876 1.00 16.43 C ATOM 647 CG1 VAL B 87 29.394 56.638 35.703 1.00 17.49 C ATOM 648 CG2 VAL B 87 31.506 55.418 35.151 1.00 18.75 C ATOM 649 N CYS B 88 32.028 58.096 32.315 1.00 15.04 N ATOM 650 CA CYS B 88 33.227 58.343 31.532 1.00 16.20 C ATOM 651 C CYS B 88 34.181 59.163 32.387 1.00 17.23 C ATOM 652 O CYS B 88 33.820 60.231 32.883 1.00 17.61 O ATOM 653 CB CYS B 88 32.850 59.067 30.240 1.00 17.52 C ATOM 654 SG CYS B 88 31.691 58.088 29.241 1.00 19.70 S ATOM 655 N ILE B 89 35.400 58.660 32.553 1.00 15.46 N ATOM 656 CA ILE B 89 36.380 59.325 33.397 1.00 15.07 C ATOM 657 C ILE B 89 37.701 59.645 32.716 1.00 15.49 C ATOM 658 O ILE B 89 38.243 58.839 31.959 1.00 15.35 O ATOM 659 CB ILE B 89 36.681 58.461 34.639 1.00 16.08 C ATOM 660 CG1 ILE B 89 35.377 58.183 35.391 1.00 18.29 C ATOM 661 CG2 ILE B 89 37.694 59.160 35.543 1.00 14.96 C ATOM 662 CD1 ILE B 89 35.496 57.122 36.455 1.00 20.78 C ATOM 663 N THR B 90 38.208 60.838 32.998 1.00 15.32 N ATOM 664 CA THR B 90 39.485 61.282 32.471 1.00 15.60 C ATOM 665 C THR B 90 40.172 62.006 33.621 1.00 15.10 C ATOM 666 O THR B 90 39.540 62.285 34.644 1.00 13.00 O ATOM 667 CB THR B 90 39.310 62.238 31.273 1.00 17.81 C ATOM 668 OG1 THR B 90 40.597 62.538 30.719 1.00 25.38 O ATOM 669 CG2 THR B 90 38.636 63.532 31.705 1.00 14.96 C ATOM 670 N PHE B 91 41.459 62.299 33.480 1.00 14.75 N ATOM 671 CA PHE B 91 42.155 62.998 34.549 1.00 14.24 C ATOM 672 C PHE B 91 43.434 63.676 34.100 1.00 15.41 C ATOM 673 O PHE B 91 43.957 63.407 33.019 1.00 16.72 O ATOM 674 CB PHE B 91 42.512 62.032 35.688 1.00 14.97 C ATOM 675 CG PHE B 91 43.709 61.153 35.393 1.00 16.08 C ATOM 676 CD1 PHE B 91 43.599 60.067 34.534 1.00 17.12 C ATOM 677 CD2 PHE B 91 44.954 61.435 35.961 1.00 16.45 C ATOM 678 CE1 PHE B 91 44.711 59.266 34.239 1.00 16.92 C ATOM 679 CE2 PHE B 91 46.074 60.639 35.671 1.00 16.46 C ATOM 680 CZ PHE B 91 45.946 59.556 34.809 1.00 15.87 C ATOM 681 N ASP B 92 43.911 64.578 34.947 1.00 15.41 N ATOM 682 CA ASP B 92 45.175 65.260 34.732 1.00 17.24 C ATOM 683 C ASP B 92 45.779 65.278 36.131 1.00 18.80 C ATOM 684 O ASP B 92 45.179 64.742 37.071 1.00 17.59 O ATOM 685 CB ASP B 92 44.992 66.678 34.159 1.00 18.65 C ATOM 686 CG ASP B 92 44.085 67.550 35.000 1.00 19.56 C ATOM 687 OD1 ASP B 92 44.304 67.640 36.219 1.00 20.02 O ATOM 688 OD2 ASP B 92 43.156 68.163 34.433 1.00 26.36 O ATOM 689 N GLN B 93 46.955 65.869 36.282 1.00 20.11 N ATOM 690 CA GLN B 93 47.619 65.901 37.583 1.00 22.62 C ATOM 691 C GLN B 93 46.811 66.569 38.699 1.00 19.55 C ATOM 692 O GLN B 93 46.946 66.204 39.868 1.00 20.11 O ATOM 693 CB GLN B 93 48.979 66.598 37.447 1.00 25.60 C ATOM 694 CG GLN B 93 48.899 68.049 36.969 1.00 32.42 C ATOM 695 CD GLN B 93 48.820 69.052 38.110 1.00 36.43 C ATOM 696 OE1 GLN B 93 48.541 70.234 37.897 1.00 39.14 O ATOM 697 NE2 GLN B 93 49.080 68.587 39.327 1.00 37.45 N ATOM 698 N ALA B 94 45.965 67.529 38.335 1.00 17.46 N ATOM 699 CA ALA B 94 45.175 68.273 39.314 1.00 14.32 C ATOM 700 C ALA B 94 43.789 67.725 39.639 1.00 13.85 C ATOM 701 O ALA B 94 43.387 67.708 40.804 1.00 13.51 O ATOM 702 CB ALA B 94 45.043 69.717 38.864 1.00 16.35 C ATOM 703 N ASN B 95 43.049 67.304 38.618 1.00 12.19 N ATOM 704 CA ASN B 95 41.696 66.800 38.844 1.00 11.75 C ATOM 705 C ASN B 95 41.280 65.654 37.946 1.00 11.39 C ATOM 706 O ASN B 95 41.804 65.479 36.845 1.00 12.66 O ATOM 707 CB ASN B 95 40.643 67.898 38.607 1.00 12.13 C ATOM 708 CG ASN B 95 40.872 69.140 39.432 1.00 13.08 C ATOM 709 OD1 ASN B 95 41.418 70.137 38.944 1.00 15.13 O ATOM 710 ND2 ASN B 95 40.448 69.098 40.683 1.00 11.63 N ATOM 711 N LEU B 96 40.308 64.887 38.426 1.00 10.45 N ATOM 712 CA LEU B 96 39.725 63.833 37.622 1.00 10.51 C ATOM 713 C LEU B 96 38.419 64.484 37.179 1.00 11.80 C ATOM 714 O LEU B 96 37.867 65.324 37.897 1.00 11.07 O ATOM 715 CB LEU B 96 39.405 62.584 38.449 1.00 13.29 C ATOM 716 CG LEU B 96 40.568 61.705 38.910 1.00 13.05 C ATOM 717 CD1 LEU B 96 40.933 62.045 40.344 1.00 17.08 C ATOM 718 CD2 LEU B 96 40.154 60.245 38.809 1.00 14.57 C ATOM 719 N THR B 97 37.947 64.134 35.989 1.00 10.10 N ATOM 720 CA THR B 97 36.685 64.664 35.487 1.00 9.97 C ATOM 721 C THR B 97 35.810 63.442 35.259 1.00 11.74 C ATOM 722 O THR B 97 36.232 62.477 34.619 1.00 11.51 O ATOM 723 CB THR B 97 36.861 65.422 34.156 1.00 10.58 C ATOM 724 OG1 THR B 97 37.682 66.578 34.366 1.00 11.43 O ATOM 725 CG2 THR B 97 35.502 65.867 33.616 1.00 12.82 C ATOM 726 N VAL B 98 34.596 63.480 35.795 1.00 11.32 N ATOM 727 CA VAL B 98 33.672 62.362 35.675 1.00 11.12 C ATOM 728 C VAL B 98 32.407 62.793 34.946 1.00 11.23 C ATOM 729 O VAL B 98 31.755 63.747 35.366 1.00 11.30 O ATOM 730 CB VAL B 98 33.278 61.840 37.078 1.00 11.32 C ATOM 731 CG1 VAL B 98 32.312 60.663 36.952 1.00 11.94 C ATOM 732 CG2 VAL B 98 34.533 61.438 37.860 1.00 12.84 C ATOM 733 N LYS B 99 32.081 62.126 33.839 1.00 10.70 N ATOM 734 CA LYS B 99 30.857 62.458 33.112 1.00 11.29 C ATOM 735 C LYS B 99 29.853 61.336 33.359 1.00 11.23 C ATOM 736 O LYS B 99 30.182 60.154 33.261 1.00 12.80 O ATOM 737 CB LYS B 99 31.102 62.648 31.609 1.00 11.98 C ATOM 738 CG LYS B 99 29.816 63.038 30.867 1.00 12.41 C ATOM 739 CD LYS B 99 30.026 64.015 29.703 1.00 17.63 C ATOM 740 CE LYS B 99 30.690 63.372 28.509 1.00 19.40 C ATOM 741 NZ LYS B 99 30.510 64.209 27.276 1.00 17.83 N ATOM 742 N LEU B 100 28.627 61.730 33.682 1.00 11.26 N ATOM 743 CA LEU B 100 27.556 60.799 34.032 1.00 11.96 C ATOM 744 C LEU B 100 26.597 60.444 32.905 1.00 12.76 C ATOM 745 O LEU B 100 26.669 61.010 31.815 1.00 13.37 O ATOM 746 CB LEU B 100 26.770 61.396 35.202 1.00 9.59 C ATOM 747 CG LEU B 100 27.653 61.822 36.375 1.00 10.23 C ATOM 748 CD1 LEU B 100 26.818 62.552 37.426 1.00 10.44 C ATOM 749 CD2 LEU B 100 28.333 60.586 36.973 1.00 12.17 C ATOM 750 N PRO B 101 25.670 59.502 33.162 1.00 13.56 N ATOM 751 CA PRO B 101 24.696 59.089 32.145 1.00 14.82 C ATOM 752 C PRO B 101 23.888 60.247 31.562 1.00 15.34 C ATOM 753 O PRO B 101 23.493 60.206 30.393 1.00 18.16 O ATOM 754 CB PRO B 101 23.818 58.095 32.899 1.00 15.08 C ATOM 755 CG PRO B 101 24.790 57.443 33.822 1.00 13.93 C ATOM 756 CD PRO B 101 25.582 58.627 34.348 1.00 13.39 C ATOM 757 N ASP B 102 23.638 61.273 32.373 1.00 15.70 N ATOM 758 CA ASP B 102 22.874 62.435 31.922 1.00 16.98 C ATOM 759 C ASP B 102 23.736 63.456 31.174 1.00 16.88 C ATOM 760 O ASP B 102 23.255 64.532 30.818 1.00 17.91 O ATOM 761 CB ASP B 102 22.186 63.117 33.116 1.00 17.97 C ATOM 762 CG ASP B 102 23.175 63.687 34.117 1.00 17.79 C ATOM 763 OD1 ASP B 102 24.383 63.408 33.981 1.00 16.64 O ATOM 764 OD2 ASP B 102 22.748 64.411 35.047 1.00 18.42 O ATOM 765 N GLY B 103 25.002 63.120 30.939 1.00 15.01 N ATOM 766 CA GLY B 103 25.889 64.032 30.230 1.00 14.12 C ATOM 767 C GLY B 103 26.502 65.110 31.112 1.00 12.50 C ATOM 768 O GLY B 103 27.314 65.919 30.653 1.00 12.34 O ATOM 769 N TYR B 104 26.100 65.133 32.379 1.00 11.72 N ATOM 770 CA TYR B 104 26.617 66.097 33.339 1.00 11.52 C ATOM 771 C TYR B 104 28.020 65.664 33.744 1.00 10.74 C ATOM 772 O TYR B 104 28.268 64.472 33.923 1.00 11.43 O ATOM 773 CB TYR B 104 25.714 66.124 34.574 1.00 11.44 C ATOM 774 CG TYR B 104 26.220 66.978 35.718 1.00 13.47 C ATOM 775 CD1 TYR B 104 25.847 68.318 35.837 1.00 11.37 C ATOM 776 CD2 TYR B 104 27.034 66.431 36.714 1.00 11.58 C ATOM 777 CE1 TYR B 104 26.259 69.089 36.926 1.00 12.75 C ATOM 778 CE2 TYR B 104 27.455 67.193 37.802 1.00 9.87 C ATOM 779 CZ TYR B 104 27.061 68.518 37.906 1.00 11.83 C ATOM 780 OH TYR B 104 27.449 69.254 38.997 1.00 12.85 O ATOM 781 N GLU B 105 28.940 66.617 33.882 1.00 10.73 N ATOM 782 CA GLU B 105 30.301 66.275 34.288 1.00 10.44 C ATOM 783 C GLU B 105 30.791 67.173 35.423 1.00 10.12 C ATOM 784 O GLU B 105 30.468 68.359 35.478 1.00 11.18 O ATOM 785 CB GLU B 105 31.266 66.359 33.094 1.00 11.75 C ATOM 786 CG GLU B 105 31.454 67.756 32.525 1.00 11.25 C ATOM 787 CD GLU B 105 32.630 67.853 31.567 1.00 13.83 C ATOM 788 OE1 GLU B 105 33.019 68.992 31.225 1.00 13.68 O ATOM 789 OE2 GLU B 105 33.160 66.799 31.157 1.00 13.72 O ATOM 790 N PHE B 106 31.555 66.593 36.343 1.00 9.50 N ATOM 791 CA PHE B 106 32.095 67.346 37.475 1.00 9.55 C ATOM 792 C PHE B 106 33.539 66.938 37.691 1.00 8.93 C ATOM 793 O PHE B 106 33.998 65.950 37.119 1.00 10.00 O ATOM 794 CB PHE B 106 31.297 67.059 38.753 1.00 10.05 C ATOM 795 CG PHE B 106 31.333 65.619 39.185 1.00 10.00 C ATOM 796 CD1 PHE B 106 30.425 64.697 38.665 1.00 11.64 C ATOM 797 CD2 PHE B 106 32.287 65.178 40.099 1.00 10.06 C ATOM 798 CE1 PHE B 106 30.468 63.353 39.052 1.00 11.98 C ATOM 799 CE2 PHE B 106 32.339 63.843 40.491 1.00 11.42 C ATOM 800 CZ PHE B 106 31.428 62.926 39.966 1.00 11.86 C ATOM 801 N LYS B 107 34.256 67.696 38.514 1.00 8.67 N ATOM 802 CA LYS B 107 35.641 67.361 38.802 1.00 9.59 C ATOM 803 C LYS B 107 35.815 66.984 40.262 1.00 9.52 C ATOM 804 O LYS B 107 35.058 67.425 41.131 1.00 11.63 O ATOM 805 CB LYS B 107 36.568 68.535 38.468 1.00 10.60 C ATOM 806 CG LYS B 107 36.630 68.854 36.985 1.00 14.37 C ATOM 807 CD LYS B 107 37.720 69.864 36.674 1.00 16.28 C ATOM 808 CE LYS B 107 37.819 70.114 35.176 1.00 18.61 C ATOM 809 NZ LYS B 107 39.016 70.941 34.837 1.00 18.01 N ATOM 810 N PHE B 108 36.811 66.143 40.510 1.00 9.47 N ATOM 811 CA PHE B 108 37.160 65.710 41.856 1.00 9.46 C ATOM 812 C PHE B 108 38.681 65.854 41.888 1.00 9.51 C ATOM 813 O PHE B 108 39.369 65.393 40.973 1.00 9.45 O ATOM 814 CB PHE B 108 36.758 64.253 42.090 1.00 9.20 C ATOM 815 CG PHE B 108 37.023 63.779 43.489 1.00 10.65 C ATOM 816 CD1 PHE B 108 36.255 64.246 44.551 1.00 8.66 C ATOM 817 CD2 PHE B 108 38.076 62.912 43.755 1.00 10.44 C ATOM 818 CE1 PHE B 108 36.534 63.859 45.865 1.00 10.17 C ATOM 819 CE2 PHE B 108 38.365 62.517 45.061 1.00 10.63 C ATOM 820 CZ PHE B 108 37.593 62.992 46.119 1.00 9.46 C ATOM 821 N PRO B 109 39.224 66.513 42.926 1.00 9.60 N ATOM 822 CA PRO B 109 40.674 66.707 43.033 1.00 10.59 C ATOM 823 C PRO B 109 41.458 65.402 42.999 1.00 10.39 C ATOM 824 O PRO B 109 41.034 64.400 43.580 1.00 10.70 O ATOM 825 CB PRO B 109 40.836 67.429 44.371 1.00 9.78 C ATOM 826 CG PRO B 109 39.539 68.172 44.523 1.00 14.53 C ATOM 827 CD PRO B 109 38.524 67.147 44.057 1.00 10.86 C ATOM 828 N ASN B 110 42.601 65.436 42.317 1.00 11.11 N ATOM 829 CA ASN B 110 43.491 64.281 42.199 1.00 11.35 C ATOM 830 C ASN B 110 44.431 64.419 43.389 1.00 11.46 C ATOM 831 O ASN B 110 45.536 64.956 43.269 1.00 11.23 O ATOM 832 CB ASN B 110 44.279 64.369 40.884 1.00 12.20 C ATOM 833 CG ASN B 110 45.127 63.136 40.622 1.00 14.61 C ATOM 834 OD1 ASN B 110 45.375 62.336 41.517 1.00 13.54 O ATOM 835 ND2 ASN B 110 45.588 62.990 39.382 1.00 17.48 N ATOM 836 N ARG B 111 43.975 63.929 44.537 1.00 10.34 N ATOM 837 CA ARG B 111 44.714 64.039 45.791 1.00 11.08 C ATOM 838 C ARG B 111 45.886 63.092 45.970 1.00 11.48 C ATOM 839 O ARG B 111 46.626 63.202 46.949 1.00 11.64 O ATOM 840 CB ARG B 111 43.751 63.864 46.953 1.00 11.28 C ATOM 841 CG ARG B 111 42.641 64.903 46.983 1.00 12.68 C ATOM 842 CD ARG B 111 41.508 64.389 47.846 1.00 11.56 C ATOM 843 NE ARG B 111 40.536 65.420 48.180 1.00 11.57 N ATOM 844 CZ ARG B 111 39.421 65.181 48.857 1.00 9.84 C ATOM 845 NH1 ARG B 111 39.148 63.944 49.262 1.00 10.02 N ATOM 846 NH2 ARG B 111 38.581 66.171 49.125 1.00 11.10 N ATOM 847 N LEU B 112 46.040 62.152 45.050 1.00 10.65 N ATOM 848 CA LEU B 112 47.157 61.216 45.121 1.00 10.81 C ATOM 849 C LEU B 112 48.192 61.622 44.078 1.00 12.53 C ATOM 850 O LEU B 112 49.233 60.979 43.928 1.00 11.92 O ATOM 851 CB LEU B 112 46.681 59.783 44.877 1.00 13.12 C ATOM 852 CG LEU B 112 46.205 58.997 46.104 1.00 13.04 C ATOM 853 CD1 LEU B 112 45.013 59.684 46.749 1.00 14.16 C ATOM 854 CD2 LEU B 112 45.846 57.580 45.681 1.00 12.44 C ATOM 855 N ASN B 113 47.888 62.698 43.358 1.00 12.47 N ATOM 856 CA ASN B 113 48.776 63.237 42.335 1.00 13.76 C ATOM 857 C ASN B 113 49.173 62.182 41.311 1.00 15.63 C ATOM 858 O ASN B 113 50.294 62.188 40.804 1.00 16.75 O ATOM 859 CB ASN B 113 50.029 63.800 43.004 1.00 12.94 C ATOM 860 CG ASN B 113 49.723 64.466 44.323 1.00 13.39 C ATOM 861 OD1 ASN B 113 50.241 64.068 45.370 1.00 15.77 O ATOM 862 ND2 ASN B 113 48.873 65.483 44.286 1.00 9.71 N ATOM 863 N LEU B 114 48.250 61.281 41.001 1.00 15.88 N ATOM 864 CA LEU B 114 48.532 60.217 40.050 1.00 17.29 C ATOM 865 C LEU B 114 48.768 60.716 38.634 1.00 18.19 C ATOM 866 O LEU B 114 48.057 61.586 38.136 1.00 16.59 O ATOM 867 CB LEU B 114 47.394 59.194 40.054 1.00 17.85 C ATOM 868 CG LEU B 114 47.521 57.990 40.996 1.00 21.91 C ATOM 869 CD1 LEU B 114 48.088 58.409 42.330 1.00 22.86 C ATOM 870 CD2 LEU B 114 46.161 57.338 41.160 1.00 17.23 C ATOM 871 N GLU B 115 49.790 60.151 38.000 1.00 19.24 N ATOM 872 CA GLU B 115 50.149 60.481 36.630 1.00 21.15 C ATOM 873 C GLU B 115 49.735 59.296 35.749 1.00 20.29 C ATOM 874 O GLU B 115 49.904 59.314 34.527 1.00 20.60 O ATOM 875 CB GLU B 115 51.661 60.752 36.546 1.00 24.55 C ATOM 876 CG GLU B 115 52.067 62.083 37.202 1.00 29.46 C ATOM 877 CD GLU B 115 53.566 62.217 37.446 1.00 32.48 C ATOM 878 OE1 GLU B 115 54.351 61.711 36.616 1.00 32.58 O ATOM 879 OE2 GLU B 115 53.958 62.845 38.461 1.00 29.88 O ATOM 880 N ALA B 116 49.176 58.276 36.398 1.00 17.80 N ATOM 881 CA ALA B 116 48.685 57.066 35.743 1.00 17.58 C ATOM 882 C ALA B 116 47.741 56.335 36.700 1.00 17.42 C ATOM 883 O ALA B 116 47.971 56.314 37.908 1.00 16.35 O ATOM 884 CB ALA B 116 49.851 56.154 35.367 1.00 19.97 C ATOM 885 N ILE B 117 46.673 55.751 36.163 1.00 14.64 N ATOM 886 CA ILE B 117 45.717 55.008 36.978 1.00 15.48 C ATOM 887 C ILE B 117 45.810 53.546 36.557 1.00 15.16 C ATOM 888 O ILE B 117 45.510 53.205 35.418 1.00 15.94 O ATOM 889 CB ILE B 117 44.280 55.521 36.766 1.00 13.46 C ATOM 890 CG1 ILE B 117 44.180 56.978 37.236 1.00 14.98 C ATOM 891 CG2 ILE B 117 43.300 54.654 37.537 1.00 16.34 C ATOM 892 CD1 ILE B 117 42.801 57.587 37.077 1.00 15.44 C ATOM 893 N ASN B 118 46.228 52.686 37.481 1.00 15.83 N ATOM 894 CA ASN B 118 46.405 51.268 37.171 1.00 15.45 C ATOM 895 C ASN B 118 45.428 50.285 37.787 1.00 16.10 C ATOM 896 O ASN B 118 45.446 49.103 37.445 1.00 17.13 O ATOM 897 CB ASN B 118 47.817 50.834 37.563 1.00 18.93 C ATOM 898 CG ASN B 118 48.872 51.411 36.653 1.00 21.62 C ATOM 899 OD1 ASN B 118 49.679 52.244 37.069 1.00 25.40 O ATOM 900 ND2 ASN B 118 48.871 50.972 35.398 1.00 19.51 N ATOM 901 N TYR B 119 44.579 50.762 38.686 1.00 15.06 N ATOM 902 CA TYR B 119 43.639 49.891 39.371 1.00 13.64 C ATOM 903 C TYR B 119 42.188 50.347 39.300 1.00 13.72 C ATOM 904 O TYR B 119 41.886 51.531 39.447 1.00 12.74 O ATOM 905 CB TYR B 119 44.059 49.783 40.838 1.00 14.40 C ATOM 906 CG TYR B 119 43.081 49.067 41.740 1.00 14.69 C ATOM 907 CD1 TYR B 119 43.104 47.677 41.872 1.00 16.77 C ATOM 908 CD2 TYR B 119 42.160 49.786 42.502 1.00 13.55 C ATOM 909 CE1 TYR B 119 42.238 47.024 42.749 1.00 16.28 C ATOM 910 CE2 TYR B 119 41.292 49.145 43.376 1.00 15.23 C ATOM 911 CZ TYR B 119 41.338 47.766 43.499 1.00 15.81 C ATOM 912 OH TYR B 119 40.502 47.144 44.396 1.00 15.72 O ATOM 913 N MET B 120 41.294 49.391 39.078 1.00 14.26 N ATOM 914 CA MET B 120 39.866 49.667 39.035 1.00 15.54 C ATOM 915 C MET B 120 39.137 48.478 39.634 1.00 16.12 C ATOM 916 O MET B 120 39.530 47.326 39.430 1.00 16.97 O ATOM 917 CB MET B 120 39.378 49.891 37.604 1.00 18.23 C ATOM 918 CG MET B 120 37.873 50.111 37.530 1.00 19.56 C ATOM 919 SD MET B 120 37.278 50.453 35.873 1.00 26.09 S ATOM 920 CE MET B 120 37.331 48.839 35.160 1.00 23.98 C ATOM 921 N ALA B 121 38.077 48.756 40.381 1.00 15.29 N ATOM 922 CA ALA B 121 37.305 47.698 41.005 1.00 15.21 C ATOM 923 C ALA B 121 35.877 48.158 41.252 1.00 17.19 C ATOM 924 O ALA B 121 35.644 49.287 41.688 1.00 18.32 O ATOM 925 CB ALA B 121 37.951 47.284 42.324 1.00 16.54 C ATOM 926 N ALA B 122 34.927 47.278 40.958 1.00 15.81 N ATOM 927 CA ALA B 122 33.511 47.563 41.165 1.00 17.73 C ATOM 928 C ALA B 122 33.034 46.673 42.308 1.00 17.80 C ATOM 929 O ALA B 122 33.580 45.589 42.512 1.00 18.61 O ATOM 930 CB ALA B 122 32.725 47.252 39.892 1.00 16.66 C ATOM 931 N ASP B 123 32.027 47.114 43.059 1.00 17.49 N ATOM 932 CA ASP B 123 31.533 46.280 44.153 1.00 18.38 C ATOM 933 C ASP B 123 30.421 45.350 43.666 1.00 20.18 C ATOM 934 O ASP B 123 30.128 45.303 42.470 1.00 19.65 O ATOM 935 CB ASP B 123 31.069 47.140 45.341 1.00 19.60 C ATOM 936 CG ASP B 123 29.775 47.884 45.078 1.00 19.85 C ATOM 937 OD1 ASP B 123 29.257 47.837 43.945 1.00 20.58 O ATOM 938 OD2 ASP B 123 29.278 48.528 46.030 1.00 21.35 O ATOM 939 N GLY B 124 29.808 44.612 44.587 1.00 20.83 N ATOM 940 CA GLY B 124 28.769 43.665 44.211 1.00 22.19 C ATOM 941 C GLY B 124 27.474 44.195 43.622 1.00 23.14 C ATOM 942 O GLY B 124 26.636 43.406 43.173 1.00 23.54 O ATOM 943 N ASP B 125 27.302 45.515 43.608 1.00 20.55 N ATOM 944 CA ASP B 125 26.079 46.115 43.085 1.00 21.27 C ATOM 945 C ASP B 125 26.227 46.746 41.702 1.00 20.14 C ATOM 946 O ASP B 125 25.265 47.276 41.139 1.00 18.93 O ATOM 947 CB ASP B 125 25.551 47.146 44.088 1.00 20.66 C ATOM 948 CG ASP B 125 24.920 46.494 45.312 1.00 23.18 C ATOM 949 OD1 ASP B 125 25.292 46.845 46.452 1.00 21.37 O ATOM 950 OD2 ASP B 125 24.044 45.624 45.126 1.00 22.76 O ATOM 951 N PHE B 126 27.431 46.680 41.149 1.00 19.35 N ATOM 952 CA PHE B 126 27.684 47.245 39.831 1.00 18.66 C ATOM 953 C PHE B 126 28.392 46.202 38.976 1.00 18.12 C ATOM 954 O PHE B 126 29.605 46.021 39.081 1.00 18.62 O ATOM 955 CB PHE B 126 28.547 48.507 39.959 1.00 17.78 C ATOM 956 CG PHE B 126 28.670 49.296 38.685 1.00 18.65 C ATOM 957 CD1 PHE B 126 27.536 49.689 37.981 1.00 18.30 C ATOM 958 CD2 PHE B 126 29.921 49.676 38.206 1.00 17.60 C ATOM 959 CE1 PHE B 126 27.642 50.453 36.818 1.00 19.63 C ATOM 960 CE2 PHE B 126 30.039 50.440 37.044 1.00 18.96 C ATOM 961 CZ PHE B 126 28.896 50.830 36.349 1.00 16.95 C ATOM 962 N LYS B 127 27.622 45.508 38.142 1.00 18.63 N ATOM 963 CA LYS B 127 28.171 44.470 37.273 1.00 18.83 C ATOM 964 C LYS B 127 28.671 45.082 35.970 1.00 17.48 C ATOM 965 O LYS B 127 27.882 45.454 35.100 1.00 16.31 O ATOM 966 CB LYS B 127 27.108 43.414 36.969 1.00 21.02 C ATOM 967 CG LYS B 127 27.628 42.256 36.130 1.00 24.57 C ATOM 968 CD LYS B 127 26.499 41.414 35.563 1.00 28.62 C ATOM 969 CE LYS B 127 25.678 40.755 36.655 1.00 32.72 C ATOM 970 NZ LYS B 127 24.569 39.945 36.074 1.00 36.82 N ATOM 971 N ILE B 128 29.988 45.177 35.836 1.00 17.57 N ATOM 972 CA ILE B 128 30.585 45.768 34.648 1.00 17.96 C ATOM 973 C ILE B 128 30.339 44.928 33.395 1.00 19.94 C ATOM 974 O ILE B 128 30.618 43.722 33.369 1.00 19.28 O ATOM 975 CB ILE B 128 32.099 45.994 34.864 1.00 18.58 C ATOM 976 CG1 ILE B 128 32.302 47.035 35.974 1.00 19.69 C ATOM 977 CG2 ILE B 128 32.754 46.459 33.572 1.00 17.94 C ATOM 978 CD1 ILE B 128 33.758 47.340 36.291 1.00 20.17 C ATOM 979 N LYS B 129 29.810 45.583 32.364 1.00 18.54 N ATOM 980 CA LYS B 129 29.497 44.940 31.091 1.00 20.44 C ATOM 981 C LYS B 129 30.464 45.348 29.982 1.00 19.56 C ATOM 982 O LYS B 129 30.653 44.614 29.014 1.00 18.41 O ATOM 983 CB LYS B 129 28.072 45.301 30.653 1.00 21.57 C ATOM 984 CG LYS B 129 26.976 44.915 31.640 1.00 24.98 C ATOM 985 CD LYS B 129 26.928 43.412 31.880 1.00 26.06 C ATOM 986 CE LYS B 129 26.647 42.644 30.595 1.00 28.06 C ATOM 987 NZ LYS B 129 26.527 41.175 30.842 1.00 27.69 N ATOM 988 N CYS B 130 31.071 46.522 30.115 1.00 19.80 N ATOM 989 CA CYS B 130 31.995 46.997 29.096 1.00 20.59 C ATOM 990 C CYS B 130 32.956 48.034 29.663 1.00 19.96 C ATOM 991 O CYS B 130 32.569 48.868 30.479 1.00 19.25 O ATOM 992 CB CYS B 130 31.207 47.622 27.938 1.00 26.90 C ATOM 993 SG CYS B 130 32.205 48.263 26.570 1.00 34.98 S ATOM 994 N VAL B 131 34.212 47.959 29.230 1.00 17.49 N ATOM 995 CA VAL B 131 35.241 48.911 29.639 1.00 17.47 C ATOM 996 C VAL B 131 36.002 49.283 28.375 1.00 17.70 C ATOM 997 O VAL B 131 36.450 48.407 27.638 1.00 16.62 O ATOM 998 CB VAL B 131 36.241 48.303 30.643 1.00 19.08 C ATOM 999 CG1 VAL B 131 37.303 49.341 31.008 1.00 20.64 C ATOM 1000 CG2 VAL B 131 35.517 47.844 31.888 1.00 20.35 C ATOM 1001 N ALA B 132 36.133 50.578 28.112 1.00 16.84 N ATOM 1002 CA ALA B 132 36.844 51.027 26.920 1.00 18.76 C ATOM 1003 C ALA B 132 37.874 52.088 27.266 1.00 21.23 C ATOM 1004 O ALA B 132 37.686 52.864 28.202 1.00 18.28 O ATOM 1005 CB ALA B 132 35.855 51.579 25.895 1.00 19.89 C ATOM 1006 N PHE B 133 38.961 52.117 26.503 1.00 23.81 N ATOM 1007 CA PHE B 133 40.026 53.086 26.720 1.00 29.05 C ATOM 1008 C PHE B 133 40.173 53.990 25.504 1.00 31.59 C ATOM 1009 O PHE B 133 40.528 53.533 24.418 1.00 32.05 O ATOM 1010 CB PHE B 133 41.354 52.370 26.987 1.00 29.91 C ATOM 1011 CG PHE B 133 41.291 51.375 28.111 1.00 31.93 C ATOM 1012 CD1 PHE B 133 40.615 50.168 27.955 1.00 33.84 C ATOM 1013 CD2 PHE B 133 41.893 51.651 29.332 1.00 33.82 C ATOM 1014 CE1 PHE B 133 40.538 49.250 28.999 1.00 33.32 C ATOM 1015 CE2 PHE B 133 41.823 50.741 30.383 1.00 34.31 C ATOM 1016 CZ PHE B 133 41.143 49.538 30.216 1.00 35.17 C ATOM 1017 N ASP B 134 39.893 55.274 25.697 1.00 34.98 N ATOM 1018 CA ASP B 134 39.992 56.257 24.625 1.00 37.99 C ATOM 1019 C ASP B 134 41.193 57.163 24.876 1.00 38.04 C ATOM 1020 O ASP B 134 40.974 58.380 25.052 1.00 37.14 O ATOM 1021 CB ASP B 134 38.722 57.111 24.564 1.00 41.21 C ATOM 1022 CG ASP B 134 37.452 56.283 24.600 1.00 43.55 C ATOM 1023 OD1 ASP B 134 36.365 56.865 24.411 1.00 45.14 O ATOM 1024 OD2 ASP B 134 37.534 55.057 24.822 1.00 45.63 O ATOM 1025 OXT ASP B 134 42.333 56.647 24.901 1.00 39.73 O TER 1026 ASP B 134 HETATM 1027 C2 BGC D 1 29.601 59.550 56.150 1.00 37.44 C HETATM 1028 C3 BGC D 1 29.553 58.245 55.332 1.00 35.77 C HETATM 1029 C4 BGC D 1 30.638 57.297 55.905 1.00 36.09 C HETATM 1030 C5 BGC D 1 30.365 57.026 57.416 1.00 38.29 C HETATM 1031 C6 BGC D 1 31.403 56.126 58.088 1.00 39.65 C HETATM 1032 C1 BGC D 1 29.331 59.219 57.638 1.00 38.60 C HETATM 1033 O1 BGC D 1 29.385 60.389 58.393 1.00 41.74 O HETATM 1034 O2 BGC D 1 28.603 60.457 55.665 1.00 33.88 O HETATM 1035 O3 BGC D 1 29.905 58.581 53.990 1.00 32.62 O HETATM 1036 O4 BGC D 1 30.644 56.052 55.168 1.00 34.63 O HETATM 1037 O5 BGC D 1 30.321 58.288 58.155 1.00 39.66 O HETATM 1038 O6 BGC D 1 32.718 56.679 58.019 1.00 41.80 O HETATM 1039 C1 GAL D 2 31.799 55.581 54.524 1.00 34.78 C HETATM 1040 C2 GAL D 2 31.435 54.226 53.870 1.00 35.41 C HETATM 1041 C3 GAL D 2 32.696 53.673 53.158 1.00 34.12 C HETATM 1042 C4 GAL D 2 33.104 54.670 52.058 1.00 33.06 C HETATM 1043 C5 GAL D 2 33.431 56.018 52.753 1.00 29.93 C HETATM 1044 C6 GAL D 2 33.816 57.074 51.723 1.00 27.15 C HETATM 1045 O2 GAL D 2 31.029 53.331 54.900 1.00 38.66 O HETATM 1046 O3 GAL D 2 32.373 52.419 52.555 1.00 37.83 O HETATM 1047 O4 GAL D 2 32.018 54.821 51.124 1.00 30.58 O HETATM 1048 O5 GAL D 2 32.243 56.497 53.478 1.00 31.85 O HETATM 1049 O6 GAL D 2 34.117 58.289 52.395 1.00 19.32 O HETATM 1050 C1 BME B 502 34.031 61.763 27.883 1.00 25.10 C HETATM 1051 C2 BME B 502 35.546 61.764 28.062 1.00 24.35 C HETATM 1052 O1 BME B 502 33.603 62.833 27.058 1.00 28.81 O HETATM 1053 S2 BME B 502 36.132 60.454 29.184 1.00 24.27 S HETATM 1054 C1 BME B 503 28.384 58.233 30.069 1.00 27.72 C HETATM 1055 C2 BME B 503 29.290 59.459 30.045 1.00 25.28 C HETATM 1056 O1 BME B 503 27.481 58.226 28.979 1.00 31.05 O HETATM 1057 S2 BME B 503 30.468 59.457 28.663 1.00 24.77 S HETATM 1058 C1 BME B 504 31.718 52.297 25.599 1.00 44.20 C HETATM 1059 C2 BME B 504 31.263 50.902 26.007 1.00 42.31 C HETATM 1060 O1 BME B 504 32.429 52.271 24.378 1.00 46.29 O HETATM 1061 S2 BME B 504 32.402 50.085 27.164 1.00 42.46 S HETATM 1062 O HOH A2001 42.905 37.015 42.730 1.00 72.69 O HETATM 1063 O HOH A2002 43.148 41.265 42.633 1.00 65.10 O HETATM 1064 O HOH A2003 40.995 39.715 42.695 1.00 48.62 O HETATM 1065 O HOH A2004 24.735 26.914 31.650 1.00 62.43 O HETATM 1066 O HOH A2005 39.900 37.318 42.702 1.00 43.52 O HETATM 1067 O HOH A2006 38.751 40.096 44.335 1.00 49.04 O HETATM 1068 O HOH A2007 39.328 35.992 40.362 1.00 24.61 O HETATM 1069 O HOH A2008 32.661 32.053 39.699 1.00 41.04 O HETATM 1070 O HOH A2009 57.446 48.889 12.744 1.00 49.47 O HETATM 1071 O HOH A2010 25.419 29.561 32.237 1.00 40.28 O HETATM 1072 O HOH A2011 52.149 35.933 29.277 1.00 44.34 O HETATM 1073 O HOH A2012 29.489 43.297 22.412 1.00 47.60 O HETATM 1074 O HOH A2014 39.091 50.150 16.636 1.00 51.45 O HETATM 1075 O HOH A2015 57.066 24.508 9.875 1.00 41.03 O HETATM 1076 O HOH A2016 51.532 25.430 11.891 1.00 16.73 O HETATM 1077 O HOH A2017 50.844 47.326 22.078 1.00 29.00 O HETATM 1078 O HOH A2018 50.391 49.234 18.006 1.00 42.18 O HETATM 1079 O HOH A2019 54.890 47.032 13.079 1.00 45.87 O HETATM 1080 O HOH A2020 58.532 50.182 15.335 1.00 74.54 O HETATM 1081 O HOH A2021 48.658 17.457 28.514 1.00 72.23 O HETATM 1082 O HOH A2022 54.251 22.001 24.339 1.00 36.72 O HETATM 1083 O HOH A2023 46.660 14.589 21.594 1.00 79.90 O HETATM 1084 O HOH A2024 40.874 29.209 5.303 1.00 0.00 O HETATM 1085 O HOH A2025 64.926 40.258 15.053 1.00 70.98 O HETATM 1086 O HOH A2026 51.415 33.291 29.264 1.00 29.29 O HETATM 1087 O HOH A2027 38.939 43.356 14.099 1.00 33.99 O HETATM 1088 O HOH A2028 37.288 24.455 38.827 1.00 47.01 O HETATM 1089 O HOH A2029 41.732 34.938 39.866 1.00 44.55 O HETATM 1090 O HOH A2030 39.558 31.866 40.675 1.00 42.02 O HETATM 1091 O HOH A2031 35.669 20.356 19.006 1.00 38.34 O HETATM 1092 O HOH A2032 31.094 21.757 19.831 1.00 91.80 O HETATM 1093 O HOH A2033 44.164 27.521 41.631 1.00 36.62 O HETATM 1094 O HOH A2034 42.946 31.093 42.543 1.00 55.05 O HETATM 1095 O HOH A2035 49.858 32.945 33.493 1.00 28.94 O HETATM 1096 O HOH A2036 45.963 34.842 39.494 1.00 27.74 O HETATM 1097 O HOH A2037 52.359 29.878 35.484 1.00 49.80 O HETATM 1098 O HOH A2038 29.745 30.414 18.979 1.00 50.38 O HETATM 1099 O HOH A2039 45.360 23.191 40.106 1.00 44.01 O HETATM 1100 O HOH A2040 43.013 16.938 28.642 1.00 56.32 O HETATM 1101 O HOH A2041 41.356 24.341 28.175 1.00 16.49 O HETATM 1102 O HOH A2043 62.343 34.033 17.623 1.00 54.16 O HETATM 1103 O HOH A2044 59.528 31.750 13.841 1.00 46.26 O HETATM 1104 O HOH A2045 61.784 32.469 19.732 1.00 40.57 O HETATM 1105 O HOH A2046 56.654 25.989 11.960 1.00 37.96 O HETATM 1106 O HOH A2047 59.706 28.945 11.207 1.00 43.58 O HETATM 1107 O HOH A2048 53.957 26.638 12.540 1.00 18.42 O HETATM 1108 O HOH A2049 56.070 25.134 15.719 1.00 33.37 O HETATM 1109 O HOH A2050 54.551 28.846 10.849 1.00 19.13 O HETATM 1110 O HOH A2051 53.478 39.051 10.635 1.00 39.82 O HETATM 1111 O HOH A2052 45.934 21.142 30.532 1.00 32.82 O HETATM 1112 O HOH A2053 51.398 31.705 31.639 1.00 26.60 O HETATM 1113 O HOH A2054 55.359 29.122 32.286 1.00 46.64 O HETATM 1114 O HOH A2055 44.398 19.264 31.634 1.00 44.39 O HETATM 1115 O HOH A2056 47.412 19.151 39.712 1.00 74.98 O HETATM 1116 O HOH A2057 53.620 22.502 37.347 1.00 59.78 O HETATM 1117 O HOH A2058 49.566 20.782 39.949 1.00 68.89 O HETATM 1118 O HOH A2059 48.493 20.537 31.232 1.00 25.49 O HETATM 1119 O HOH A2060 51.384 17.988 28.141 1.00 55.76 O HETATM 1120 O HOH A2061 53.793 20.183 30.560 1.00 35.93 O HETATM 1121 O HOH A2062 56.294 29.270 29.961 1.00 33.27 O HETATM 1122 O HOH A2063 54.787 23.037 31.413 1.00 27.19 O HETATM 1123 O HOH A2064 53.396 20.783 26.439 1.00 38.54 O HETATM 1124 O HOH A2065 46.741 18.585 26.976 1.00 25.10 O HETATM 1125 O HOH A2066 46.776 15.646 24.416 1.00 43.87 O HETATM 1126 O HOH A2067 46.275 19.854 20.863 1.00 21.61 O HETATM 1127 O HOH A2068 50.534 19.628 19.555 1.00 24.74 O HETATM 1128 O HOH A2069 52.418 20.760 22.692 1.00 27.07 O HETATM 1129 O HOH A2070 39.862 21.386 19.304 1.00 25.22 O HETATM 1130 O HOH A2071 55.186 22.801 16.618 1.00 37.40 O HETATM 1131 O HOH A2072 45.038 27.335 18.336 1.00 30.22 O HETATM 1132 O HOH A2073 49.548 27.168 11.325 1.00 18.36 O HETATM 1133 O HOH A2074 43.861 28.498 5.790 1.00 21.04 O HETATM 1134 O HOH A2075 47.145 27.471 6.947 1.00 18.87 O HETATM 1135 O HOH A2076 47.520 30.219 12.569 1.00 12.84 O HETATM 1136 O HOH A2077 46.814 38.601 7.941 1.00 32.52 O HETATM 1137 O HOH A2078 50.627 39.525 9.470 1.00 35.90 O HETATM 1138 O HOH A2079 44.961 40.844 8.855 1.00 54.43 O HETATM 1139 O HOH A2080 46.745 42.623 14.726 1.00 31.10 O HETATM 1140 O HOH A2081 50.555 46.686 11.121 1.00 45.38 O HETATM 1141 O HOH A2082 52.298 49.675 12.298 1.00 46.62 O HETATM 1142 O HOH A2083 46.434 49.247 11.474 1.00 51.59 O HETATM 1143 O HOH A2084 41.407 42.804 14.818 1.00 36.15 O HETATM 1144 O HOH A2085 33.098 33.226 20.296 1.00 24.71 O HETATM 1145 O HOH A2086 34.339 19.924 30.654 1.00 57.19 O HETATM 1146 O HOH A2087 29.056 22.330 26.743 1.00 58.32 O HETATM 1147 O HOH A2088 35.996 18.753 26.596 1.00 43.13 O HETATM 1148 O HOH A2089 30.918 22.348 22.476 1.00 52.37 O HETATM 1149 O HOH A2090 37.634 20.862 20.664 1.00 28.61 O HETATM 1150 O HOH A2091 30.920 23.276 24.977 1.00 43.36 O HETATM 1151 O HOH A2092 35.567 18.157 21.406 1.00 60.73 O HETATM 1152 O HOH A2093 31.879 26.818 22.957 1.00 29.09 O HETATM 1153 O HOH A2094 38.826 32.780 7.113 1.00 43.08 O HETATM 1154 O HOH A2095 34.519 33.965 7.885 1.00 26.69 O HETATM 1155 O HOH A2096 31.365 33.060 11.969 1.00 39.65 O HETATM 1156 O HOH A2097 42.177 26.254 12.164 1.00 15.06 O HETATM 1157 O HOH A2098 32.217 26.793 15.940 1.00 0.00 O HETATM 1158 O HOH A2099 31.949 29.543 11.840 1.00 33.91 O HETATM 1159 O HOH A2100 31.168 32.502 18.392 1.00 27.85 O HETATM 1160 O HOH A2101 38.179 23.545 16.315 1.00 21.38 O HETATM 1161 O HOH A2102 40.008 24.283 30.580 1.00 20.49 O HETATM 1162 O HOH A2103 41.131 18.525 34.446 1.00 53.71 O HETATM 1163 O HOH A2104 38.442 18.667 27.496 1.00 32.39 O HETATM 1164 O HOH A2105 40.077 16.991 30.113 1.00 36.67 O HETATM 1165 O HOH A2106 34.744 17.591 29.137 1.00 81.81 O HETATM 1166 O HOH A2107 28.924 25.958 34.681 1.00 52.33 O HETATM 1167 O HOH A2108 33.062 25.211 40.034 1.00 88.99 O HETATM 1168 O HOH A2109 37.484 29.850 37.149 1.00 41.29 O HETATM 1169 O HOH A2110 36.071 35.273 41.064 1.00 74.66 O HETATM 1170 O HOH A2111 33.408 35.646 40.417 1.00 52.64 O HETATM 1171 O HOH A2112 48.546 37.574 36.763 1.00 27.45 O HETATM 1172 O HOH A2113 48.595 35.320 32.826 1.00 24.22 O HETATM 1173 O HOH A2114 53.910 36.592 27.276 1.00 37.19 O HETATM 1174 O HOH A2115 50.210 45.317 26.930 1.00 88.54 O HETATM 1175 O HOH A2116 55.384 40.246 27.876 1.00 43.11 O HETATM 1176 O HOH A2117 51.369 47.129 24.734 1.00 36.74 O HETATM 1177 O HOH A2118 57.261 40.048 21.408 1.00 30.58 O HETATM 1178 O HOH A2119 55.651 45.651 23.521 1.00 62.10 O HETATM 1179 O HOH A2120 54.851 38.420 23.518 1.00 35.64 O HETATM 1180 O HOH A2121 47.006 45.295 27.986 1.00 26.11 O HETATM 1181 O HOH A2122 27.340 36.908 26.278 1.00 36.32 O HETATM 1182 O HOH B2001 33.551 50.239 57.133 1.00 57.03 O HETATM 1183 O HOH B2002 34.925 47.692 45.306 1.00 41.21 O HETATM 1184 O HOH B2003 33.666 48.652 47.760 1.00 35.54 O HETATM 1185 O HOH B2004 31.238 38.296 40.214 1.00 62.30 O HETATM 1186 O HOH B2005 43.046 42.176 38.561 1.00 24.34 O HETATM 1187 O HOH B2006 47.750 47.705 29.088 1.00 48.42 O HETATM 1188 O HOH B2007 54.608 52.460 27.143 1.00 70.43 O HETATM 1189 O HOH B2008 50.746 48.494 37.218 1.00 45.84 O HETATM 1190 O HOH B2009 48.348 47.430 38.831 1.00 24.84 O HETATM 1191 O HOH B2010 45.052 48.930 29.285 1.00 40.58 O HETATM 1192 O HOH B2011 45.088 51.511 28.466 1.00 45.94 O HETATM 1193 O HOH B2012 47.643 53.960 28.135 1.00 29.96 O HETATM 1194 O HOH B2013 52.734 53.439 28.649 1.00 52.84 O HETATM 1195 O HOH B2014 27.269 47.727 50.351 1.00 41.70 O HETATM 1196 O HOH B2015 45.899 61.573 26.323 1.00 42.56 O HETATM 1197 O HOH B2016 48.973 61.699 28.661 1.00 41.07 O HETATM 1198 O HOH B2017 48.163 58.948 26.083 1.00 54.23 O HETATM 1199 O HOH B2018 42.669 60.303 31.661 1.00 25.60 O HETATM 1200 O HOH B2019 39.483 46.976 50.031 1.00 47.58 O HETATM 1201 O HOH B2020 14.418 60.122 49.748 1.00 29.84 O HETATM 1202 O HOH B2021 24.254 53.216 29.380 1.00 44.04 O HETATM 1203 O HOH B2022 24.354 44.115 39.134 1.00 26.97 O HETATM 1204 O HOH B2023 20.189 46.302 33.866 1.00 34.82 O HETATM 1205 O HOH B2024 20.303 45.348 36.738 1.00 33.76 O HETATM 1206 O HOH B2025 14.962 44.936 44.994 1.00 73.43 O HETATM 1207 O HOH B2026 15.188 47.965 41.103 1.00 44.53 O HETATM 1208 O HOH B2027 19.929 45.102 48.983 1.00 50.39 O HETATM 1209 O HOH B2028 21.482 39.517 45.525 1.00 54.06 O HETATM 1210 O HOH B2029 22.484 41.581 46.864 1.00 56.25 O HETATM 1211 O HOH B2030 17.340 51.575 46.930 1.00 66.00 O HETATM 1212 O HOH B2031 35.697 70.285 50.881 1.00 29.95 O HETATM 1213 O HOH B2032 24.225 49.612 49.692 1.00 45.78 O HETATM 1214 O HOH B2033 27.703 52.750 49.730 1.00 22.27 O HETATM 1215 O HOH B2034 16.796 57.510 34.883 1.00 44.84 O HETATM 1216 O HOH B2035 14.922 55.000 41.649 1.00 40.01 O HETATM 1217 O HOH B2036 35.430 51.030 48.488 1.00 25.75 O HETATM 1218 O HOH B2037 43.990 71.960 35.852 1.00 0.00 O HETATM 1219 O HOH B2038 53.002 53.068 44.949 1.00 82.03 O HETATM 1220 O HOH B2039 47.282 47.713 41.167 1.00 40.34 O HETATM 1221 O HOH B2040 51.224 54.025 47.939 1.00 32.99 O HETATM 1222 O HOH B2041 53.525 55.956 46.362 1.00 34.02 O HETATM 1223 O HOH B2042 49.770 50.370 41.103 1.00 38.50 O HETATM 1224 O HOH B2043 50.625 51.493 46.987 1.00 32.86 O HETATM 1225 O HOH B2044 51.376 49.274 44.651 1.00 47.09 O HETATM 1226 O HOH B2045 45.144 46.152 45.230 1.00 27.46 O HETATM 1227 O HOH B2046 39.451 49.402 48.195 1.00 25.31 O HETATM 1228 O HOH B2047 23.431 59.590 26.043 1.00 40.76 O HETATM 1229 O HOH B2048 26.897 61.657 27.537 1.00 33.84 O HETATM 1230 O HOH B2049 19.839 60.032 33.220 1.00 33.43 O HETATM 1231 O HOH B2050 18.266 67.399 33.287 1.00 70.33 O HETATM 1232 O HOH B2051 19.511 66.939 35.607 1.00 32.95 O HETATM 1233 O HOH B2052 42.330 47.261 51.159 1.00 31.83 O HETATM 1234 O HOH B2053 48.669 49.021 49.383 1.00 44.18 O HETATM 1235 O HOH B2054 42.958 50.490 53.170 1.00 43.87 O HETATM 1236 O HOH B2055 34.736 71.827 40.798 1.00 27.86 O HETATM 1237 O HOH B2056 49.214 51.760 51.209 1.00 29.29 O HETATM 1238 O HOH B2057 49.105 56.988 47.288 1.00 29.58 O HETATM 1239 O HOH B2058 52.435 66.036 37.209 1.00 54.17 O HETATM 1240 O HOH B2059 40.774 44.361 48.139 1.00 49.25 O HETATM 1241 O HOH B2060 30.827 41.508 38.055 1.00 35.90 O HETATM 1242 O HOH B2061 29.422 46.376 49.353 1.00 82.43 O HETATM 1243 O HOH B2062 13.836 53.812 50.908 1.00 47.47 O HETATM 1244 O HOH B2063 14.167 55.906 52.517 1.00 30.64 O HETATM 1245 O HOH B2064 21.050 50.912 53.505 1.00 27.12 O HETATM 1246 O HOH B2065 14.912 57.454 48.468 1.00 34.78 O HETATM 1247 O HOH B2066 30.017 52.915 51.032 1.00 73.46 O HETATM 1248 O HOH B2067 25.848 60.020 55.681 1.00 20.51 O HETATM 1249 O HOH B2068 27.967 53.620 57.852 1.00 44.62 O HETATM 1250 O HOH B2069 23.717 51.871 55.284 1.00 28.41 O HETATM 1251 O HOH B2070 18.952 60.752 54.001 1.00 23.44 O HETATM 1252 O HOH B2071 19.171 56.835 54.074 1.00 39.15 O HETATM 1253 O HOH B2072 18.403 63.152 49.257 1.00 16.48 O HETATM 1254 O HOH B2073 16.230 61.915 47.694 1.00 18.97 O HETATM 1255 O HOH B2074 43.329 61.515 49.867 1.00 15.30 O HETATM 1256 O HOH B2075 38.898 50.250 54.371 1.00 34.93 O HETATM 1257 O HOH B2076 37.863 50.789 50.092 1.00 32.93 O HETATM 1258 O HOH B2077 47.828 62.765 51.636 1.00 25.26 O HETATM 1259 O HOH B2078 49.454 61.336 48.168 1.00 24.60 O HETATM 1260 O HOH B2079 49.802 57.941 51.420 1.00 29.12 O HETATM 1261 O HOH B2080 49.797 53.478 54.744 1.00 32.06 O HETATM 1262 O HOH B2081 43.129 60.664 52.475 1.00 12.18 O HETATM 1263 O HOH B2082 39.629 62.747 56.234 1.00 16.58 O HETATM 1264 O HOH B2083 41.357 59.447 57.374 1.00 13.34 O HETATM 1265 O HOH B2084 36.602 51.416 54.595 1.00 29.88 O HETATM 1266 O HOH B2085 36.401 60.808 55.751 1.00 19.79 O HETATM 1267 O HOH B2086 37.957 64.596 56.242 1.00 17.75 O HETATM 1268 O HOH B2087 38.087 68.936 55.161 1.00 11.38 O HETATM 1269 O HOH B2088 33.903 59.884 55.588 1.00 33.73 O HETATM 1270 O HOH B2089 34.114 63.486 54.725 1.00 21.58 O HETATM 1271 O HOH B2090 32.404 66.265 53.211 1.00 18.19 O HETATM 1272 O HOH B2091 33.562 66.415 43.329 1.00 13.15 O HETATM 1273 O HOH B2092 37.615 69.112 49.272 1.00 15.90 O HETATM 1274 O HOH B2093 24.070 63.031 51.325 1.00 12.84 O HETATM 1275 O HOH B2094 30.775 69.037 45.821 1.00 16.93 O HETATM 1276 O HOH B2095 24.352 63.685 44.168 1.00 11.97 O HETATM 1277 O HOH B2096 31.804 69.060 42.629 1.00 21.04 O HETATM 1278 O HOH B2097 28.542 68.129 41.202 1.00 16.09 O HETATM 1279 O HOH B2098 21.191 55.886 34.780 1.00 36.41 O HETATM 1280 O HOH B2099 16.784 56.869 41.230 1.00 47.21 O HETATM 1281 O HOH B2100 17.836 57.877 37.151 1.00 0.00 O HETATM 1282 O HOH B2101 21.531 53.840 36.900 1.00 23.42 O HETATM 1283 O HOH B2102 18.728 49.949 31.745 1.00 44.90 O HETATM 1284 O HOH B2103 21.835 55.248 32.256 1.00 37.30 O HETATM 1285 O HOH B2104 24.153 55.301 30.939 1.00 22.80 O HETATM 1286 O HOH B2105 30.023 55.999 25.303 1.00 43.85 O HETATM 1287 O HOH B2106 35.200 62.633 31.703 1.00 18.87 O HETATM 1288 O HOH B2107 41.945 70.132 35.996 1.00 21.64 O HETATM 1289 O HOH B2108 40.452 66.199 34.610 1.00 18.12 O HETATM 1290 O HOH B2109 38.812 70.883 41.716 1.00 18.89 O HETATM 1291 O HOH B2110 38.008 68.107 32.082 1.00 28.93 O HETATM 1292 O HOH B2111 20.504 59.219 30.815 1.00 49.22 O HETATM 1293 O HOH B2112 24.267 61.371 27.949 1.00 31.84 O HETATM 1294 O HOH B2113 22.199 57.836 29.058 1.00 47.25 O HETATM 1295 O HOH B2114 23.889 66.754 29.415 1.00 15.57 O HETATM 1296 O HOH B2115 22.107 67.144 34.447 1.00 21.57 O HETATM 1297 O HOH B2116 20.208 64.432 36.061 1.00 19.32 O HETATM 1298 O HOH B2117 21.066 66.154 31.644 1.00 36.64 O HETATM 1299 O HOH B2118 34.098 64.445 30.311 1.00 24.16 O HETATM 1300 O HOH B2119 39.580 70.218 31.925 1.00 28.24 O HETATM 1301 O HOH B2120 33.171 70.345 39.239 1.00 19.78 O HETATM 1302 O HOH B2121 39.277 73.356 36.065 1.00 23.89 O HETATM 1303 O HOH B2122 36.019 69.735 42.195 1.00 24.27 O HETATM 1304 O HOH B2123 41.745 62.116 44.592 1.00 11.87 O HETATM 1305 O HOH B2124 40.587 68.405 48.101 1.00 11.65 O HETATM 1306 O HOH B2125 45.838 62.865 49.586 1.00 16.10 O HETATM 1307 O HOH B2126 50.246 59.466 46.139 1.00 25.74 O HETATM 1308 O HOH B2127 51.459 59.716 43.099 1.00 25.87 O HETATM 1309 O HOH B2128 52.483 62.271 45.236 1.00 21.67 O HETATM 1310 O HOH B2129 48.340 66.892 42.063 1.00 11.11 O HETATM 1311 O HOH B2130 51.726 58.738 39.204 1.00 33.54 O HETATM 1312 O HOH B2131 55.701 62.705 34.709 1.00 29.79 O HETATM 1313 O HOH B2132 51.655 64.597 39.385 1.00 29.20 O HETATM 1314 O HOH B2133 55.020 59.712 34.995 1.00 59.33 O HETATM 1315 O HOH B2134 48.141 54.106 39.492 1.00 22.86 O HETATM 1316 O HOH B2135 40.752 44.679 45.183 1.00 22.80 O HETATM 1317 O HOH B2136 38.529 48.508 45.781 1.00 17.27 O HETATM 1318 O HOH B2137 31.001 48.454 48.340 1.00 26.25 O HETATM 1319 O HOH B2138 29.134 43.176 40.622 1.00 33.37 O HETATM 1320 O HOH B2139 29.508 44.465 47.422 1.00 31.87 O HETATM 1321 O HOH B2140 26.342 42.884 40.450 1.00 33.95 O HETATM 1322 O HOH B2141 26.968 40.435 43.517 1.00 44.18 O HETATM 1323 O HOH B2142 23.245 47.367 48.164 1.00 23.14 O HETATM 1324 O HOH B2143 26.326 44.675 47.792 1.00 32.38 O HETATM 1325 O HOH B2144 26.936 48.551 47.424 1.00 23.41 O HETATM 1326 O HOH B2145 23.650 42.716 44.412 1.00 46.95 O HETATM 1327 O HOH B2146 22.461 44.381 46.786 1.00 41.58 O HETATM 1328 O HOH B2147 31.560 44.088 38.199 1.00 18.73 O HETATM 1329 O HOH B2148 32.060 41.391 34.758 1.00 42.76 O HETATM 1330 O HOH B2149 29.343 40.320 33.090 1.00 47.53 O HETATM 1331 O HOH B2150 43.644 60.103 24.263 1.00 53.58 O HETATM 1332 O HOH B2151 24.724 57.161 29.192 1.00 35.28 O HETATM 1333 O HOH B2152 35.240 50.726 52.335 1.00 47.20 O HETATM 1334 O HOH B2153 33.296 50.814 50.462 1.00 81.52 O HETATM 1335 O HOH B2154 30.385 50.475 50.368 1.00 37.32 O HETATM 1336 O HOH B2155 33.767 53.189 57.088 1.00 88.92 O HETATM 1337 O HOH B2156 27.731 62.774 58.459 1.00 50.02 O CONECT 108 1053 107 CONECT 654 653 1057 CONECT 993 1061 992 CONECT 1032 1033 1037 1027 CONECT 1027 1032 1034 1028 CONECT 1028 1035 1027 1029 CONECT 1029 1036 1030 1028 CONECT 1030 1037 1031 1029 CONECT 1031 1038 1030 CONECT 1033 1032 CONECT 1034 1027 CONECT 1035 1028 CONECT 1036 1039 1029 CONECT 1037 1032 1030 CONECT 1038 1031 CONECT 1039 1048 1036 1040 CONECT 1040 1039 1041 1045 CONECT 1041 1042 1046 1040 CONECT 1042 1047 1041 1043 CONECT 1043 1048 1042 1044 CONECT 1044 1049 1043 CONECT 1045 1040 CONECT 1046 1041 CONECT 1047 1042 CONECT 1048 1039 1043 CONECT 1049 1044 CONECT 1050 1051 1052 CONECT 1051 1053 1050 CONECT 1052 1050 CONECT 1053 1051 108 CONECT 1054 1056 1055 CONECT 1055 1054 1057 CONECT 1056 1054 CONECT 1057 654 1055 CONECT 1058 1060 1059 CONECT 1059 1061 1058 CONECT 1060 1058 CONECT 1061 1059 993 END If you find results from this site helpful for your research, please cite one of our papers:
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