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*** 1w6o_monomero ***elNémo ID: 2405021119234077922Job options:ID = 2405021119234077922 JOBID = 1w6o_monomero 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 1w6o_monomero 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 1 1 VAL A1005 LEU A1011 0 SHEET 2 2 1 CSO A1016 VAL A1023 0 SHEET 3 3 1 PHE A1030 ASP A1037 0 SHEET 4 4 1 ASN A1040 ALA A1051 0 SHEET 5 5 1 ASP A1054 ASP A1064 0 SHEET 6 6 1 ALA A1067 TRP A1068 0 SHEET 7 7 1 GLN A1072 ARG A1073 0 SHEET 8 8 1 VAL A1084 PHE A1091 0 SHEET 9 9 1 ASN A1095 LYS A1099 0 SHEET 10 10 1 GLU A1105 PRO A1109 0 SHEET 11 11 1 ILE A1117 GLY A1124 0 SHEET 12 12 1 PHE A1126 PHE A1133 0 SHEET 13 13 1 VAL B2005 SER B2007 0 SHEET 14 14 1 LEU B2017 VAL B2023 0 SHEET 15 15 1 LEU B2032 ASP B2037 0 SHEET 16 16 1 ASN B2040 ALA B2051 0 SHEET 17 17 1 ASP B2054 ASP B2064 0 SHEET 18 18 1 VAL B2084 PHE B2091 0 SHEET 19 19 1 ASN B2095 LYS B2099 0 SHEET 20 20 1 GLU B2105 PRO B2109 0 SHEET 21 21 1 TYR B2119 ALA B2122 0 SHEET 22 22 1 PHE B2126 PHE B2133 0 LINK C GLU A1015 N CSO A1016 1555 1555 1.33 LINK C CSO A1016 N LEU A1017 1555 1555 1.33 LINK SG CYS A1088 S2 BME 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 2194 ASP B2134 HETATM 2195 C2 BGC C 1 -1.604 63.635 21.382 1.00 29.25 C HETATM 2196 C3 BGC C 1 -1.462 62.127 21.735 1.00 28.48 C HETATM 2197 C4 BGC C 1 -1.584 62.002 23.283 1.00 28.22 C HETATM 2198 C5 BGC C 1 -3.008 62.530 23.737 1.00 30.31 C HETATM 2199 C6 BGC C 1 -3.243 62.481 25.255 1.00 31.21 C HETATM 2200 C1 BGC C 1 -3.001 64.120 21.854 1.00 31.16 C HETATM 2201 O1 BGC C 1 -3.163 65.473 21.556 1.00 33.78 O HETATM 2202 O2 BGC C 1 -1.495 63.820 19.962 1.00 29.64 O HETATM 2203 O3 BGC C 1 -0.170 61.680 21.310 1.00 25.59 O HETATM 2204 O4 BGC C 1 -1.429 60.600 23.678 1.00 26.46 O HETATM 2205 O5 BGC C 1 -3.170 63.935 23.305 1.00 31.45 O HETATM 2206 O6 BGC C 1 -2.158 63.065 25.999 1.00 32.95 O HETATM 2207 C1 GAL C 2 -0.530 60.229 24.700 1.00 23.90 C HETATM 2208 C2 GAL C 2 -0.592 58.685 24.887 1.00 23.84 C HETATM 2209 C3 GAL C 2 0.406 58.299 26.024 1.00 22.50 C HETATM 2210 C4 GAL C 2 1.845 58.715 25.593 1.00 20.56 C HETATM 2211 C5 GAL C 2 1.836 60.270 25.379 1.00 20.26 C HETATM 2212 C6 GAL C 2 3.196 60.779 24.921 1.00 18.91 C HETATM 2213 O2 GAL C 2 -1.921 58.323 25.252 1.00 25.45 O HETATM 2214 O3 GAL C 2 0.366 56.878 26.218 1.00 22.65 O HETATM 2215 O4 GAL C 2 2.196 58.033 24.376 1.00 18.78 O HETATM 2216 O5 GAL C 2 0.831 60.637 24.349 1.00 21.89 O HETATM 2217 O6 GAL C 2 3.103 62.191 24.749 1.00 15.81 O HETATM 2241 C1 BME A2137 19.744 48.757 16.014 1.00 32.03 C HETATM 2242 C2 BME A2137 20.282 50.090 16.517 1.00 30.76 C HETATM 2243 O1 BME A2137 20.663 48.113 15.156 1.00 34.71 O HETATM 2244 S2 BME A2137 21.969 49.978 17.184 1.00 31.19 S HETATM 2245 C1 BME A2138 22.506 42.053 22.023 1.00 37.42 C HETATM 2246 C2 BME A2138 21.575 41.808 23.202 1.00 35.13 C HETATM 2247 O1 BME A2138 22.850 40.844 21.377 1.00 40.82 O HETATM 2248 S2 BME A2138 19.960 42.611 22.997 1.00 33.58 S HETATM 2266 O HOH A2001 4.052 41.233 21.987 1.00 41.99 O HETATM 2267 O HOH A2002 -0.685 48.677 11.424 1.00 36.50 O HETATM 2268 O HOH A2003 1.085 52.516 25.326 1.00 40.72 O HETATM 2269 O HOH A2004 11.806 52.463 39.710 1.00 44.24 O HETATM 2270 O HOH A2005 3.763 54.440 35.025 1.00 45.80 O HETATM 2271 O HOH A2006 3.737 62.809 11.763 1.00 15.97 O HETATM 2272 O HOH A2007 2.311 69.687 24.481 1.00 42.47 O HETATM 2273 O HOH A2008 2.095 67.815 19.143 1.00 50.86 O HETATM 2274 O HOH A2009 25.155 60.731 11.225 1.00 28.63 O HETATM 2275 O HOH A2010 25.705 58.058 19.278 1.00 41.42 O HETATM 2276 O HOH A2011 4.824 51.461 32.195 1.00 39.28 O HETATM 2277 O HOH A2012 4.503 39.020 34.073 1.00 40.83 O HETATM 2278 O HOH A2013 4.385 44.913 26.722 1.00 37.91 O HETATM 2279 O HOH A2014 6.566 47.438 31.873 1.00 35.75 O HETATM 2280 O HOH A2015 8.891 42.765 27.331 1.00 37.37 O HETATM 2281 O HOH A2016 12.549 46.665 38.431 1.00 23.73 O HETATM 2282 O HOH A2017 23.292 49.067 39.588 1.00 33.73 O HETATM 2283 O HOH A2018 15.437 51.316 42.733 1.00 30.77 O HETATM 2284 O HOH A2019 16.167 52.528 40.251 1.00 20.52 O HETATM 2285 O HOH A2020 25.802 51.162 39.894 1.00 52.55 O HETATM 2286 O HOH A2021 22.476 56.640 39.493 1.00 36.26 O HETATM 2287 O HOH A2022 29.776 58.976 32.026 1.00 38.10 O HETATM 2288 O HOH A2023 24.700 48.276 24.887 1.00 38.13 O HETATM 2289 O HOH A2024 25.295 46.319 22.935 1.00 40.97 O HETATM 2290 O HOH A2025 5.434 40.394 19.823 1.00 30.63 O HETATM 2291 O HOH A2026 -0.513 44.320 10.671 1.00 39.87 O HETATM 2292 O HOH A2027 -0.438 39.994 19.815 1.00 42.51 O HETATM 2293 O HOH A2028 -2.556 44.954 18.707 1.00 58.55 O HETATM 2294 O HOH A2029 -0.538 46.387 12.761 1.00 34.82 O HETATM 2295 O HOH A2030 -0.148 54.431 21.859 1.00 32.77 O HETATM 2296 O HOH A2031 2.000 50.717 23.579 1.00 24.15 O HETATM 2297 O HOH A2032 -0.054 49.084 23.688 1.00 36.77 O HETATM 2298 O HOH A2033 3.978 54.856 28.833 1.00 27.82 O HETATM 2299 O HOH A2034 14.074 53.597 39.207 1.00 33.91 O HETATM 2300 O HOH A2035 9.239 53.662 39.160 1.00 22.51 O HETATM 2301 O HOH A2036 5.557 55.346 33.311 1.00 28.22 O HETATM 2302 O HOH A2037 3.788 55.723 37.562 1.00 38.06 O HETATM 2303 O HOH A2038 3.443 58.556 35.227 1.00 48.25 O HETATM 2304 O HOH A2039 7.835 62.376 40.835 1.00 34.14 O HETATM 2305 O HOH A2040 11.872 65.369 37.203 1.00 49.06 O HETATM 2306 O HOH A2041 13.949 64.135 28.067 1.00 17.53 O HETATM 2307 O HOH A2042 1.449 55.357 24.074 1.00 24.39 O HETATM 2308 O HOH A2043 -0.263 52.276 9.965 1.00 30.14 O HETATM 2309 O HOH A2044 -5.285 61.068 21.076 1.00 37.00 O HETATM 2310 O HOH A2045 -1.910 62.101 17.917 1.00 32.81 O HETATM 2311 O HOH A2046 -4.289 59.181 10.994 1.00 41.84 O HETATM 2312 O HOH A2047 -1.075 62.581 11.955 1.00 47.35 O HETATM 2313 O HOH A2048 -0.728 62.913 15.602 1.00 27.37 O HETATM 2314 O HOH A2049 1.398 61.519 12.355 1.00 20.52 O HETATM 2315 O HOH A2050 0.917 59.361 10.583 1.00 18.12 O HETATM 2316 O HOH A2051 2.763 49.216 10.557 1.00 26.61 O HETATM 2317 O HOH A2052 4.329 59.081 10.394 1.00 12.02 O HETATM 2318 O HOH A2053 9.254 67.287 30.286 1.00 29.44 O HETATM 2319 O HOH A2054 4.058 56.412 31.475 1.00 25.02 O HETATM 2320 O HOH A2055 -0.345 58.595 31.492 1.00 5.34 O HETATM 2321 O HOH A2056 11.454 70.198 36.246 1.00 44.64 O HETATM 2322 O HOH A2057 6.752 67.737 31.033 1.00 21.87 O HETATM 2323 O HOH A2058 1.687 68.017 30.399 1.00 30.13 O HETATM 2324 O HOH A2059 0.595 65.002 31.369 1.00 25.34 O HETATM 2325 O HOH A2060 4.041 69.852 28.217 1.00 39.25 O HETATM 2326 O HOH A2061 2.083 67.472 26.462 1.00 41.35 O HETATM 2327 O HOH A2062 6.504 71.018 28.038 1.00 42.17 O HETATM 2328 O HOH A2063 8.616 72.727 24.234 1.00 45.27 O HETATM 2329 O HOH A2064 8.526 69.746 26.784 1.00 21.35 O HETATM 2330 O HOH A2065 4.676 68.553 19.523 1.00 28.27 O HETATM 2331 O HOH A2066 2.990 67.696 22.420 1.00 22.19 O HETATM 2332 O HOH A2067 15.282 67.008 19.052 1.00 31.22 O HETATM 2333 O HOH A2068 10.206 61.241 18.166 1.00 26.51 O HETATM 2334 O HOH A2069 13.084 62.186 11.995 1.00 11.72 O HETATM 2335 O HOH A2070 5.825 61.111 10.896 1.00 18.73 O HETATM 2336 O HOH A2071 7.756 58.366 12.475 1.00 11.09 O HETATM 2337 O HOH A2072 11.699 60.006 5.797 1.00 31.52 O HETATM 2338 O HOH A2073 8.357 61.105 6.651 1.00 25.08 O HETATM 2339 O HOH A2074 5.107 48.804 9.163 1.00 22.44 O HETATM 2340 O HOH A2075 12.296 46.565 11.768 1.00 20.60 O HETATM 2341 O HOH A2076 8.840 49.981 7.676 1.00 16.92 O HETATM 2342 O HOH A2077 6.878 41.419 9.382 1.00 45.69 O HETATM 2343 O HOH A2078 6.313 38.125 9.912 1.00 45.41 O HETATM 2344 O HOH A2079 10.182 45.591 13.113 1.00 19.84 O HETATM 2345 O HOH A2080 12.376 39.343 12.025 1.00 28.89 O HETATM 2346 O HOH A2081 13.522 42.116 11.272 1.00 38.42 O HETATM 2347 O HOH A2082 22.885 44.553 16.160 1.00 50.44 O HETATM 2348 O HOH A2083 16.532 45.477 13.900 1.00 16.01 O HETATM 2349 O HOH A2084 22.307 55.146 20.099 1.00 21.88 O HETATM 2350 O HOH A2085 23.208 61.316 22.972 1.00 24.43 O HETATM 2351 O HOH A2086 19.553 69.668 26.000 1.00 38.35 O HETATM 2352 O HOH A2087 20.277 69.825 21.334 1.00 47.08 O HETATM 2353 O HOH A2088 17.728 67.364 20.630 1.00 32.69 O HETATM 2354 O HOH A2089 18.863 46.526 13.276 1.00 25.45 O HETATM 2355 O HOH A2090 20.461 54.240 7.685 1.00 15.01 O HETATM 2356 O HOH A2091 23.605 54.672 11.539 1.00 26.66 O HETATM 2357 O HOH A2092 14.628 62.515 7.867 1.00 9.63 O HETATM 2358 O HOH A2093 24.011 55.875 18.089 1.00 24.14 O HETATM 2359 O HOH A2094 23.154 59.150 11.366 1.00 35.53 O HETATM 2360 O HOH A2095 17.093 64.960 16.359 1.00 17.35 O HETATM 2361 O HOH A2096 15.180 71.420 30.402 1.00 38.05 O HETATM 2362 O HOH A2097 16.613 69.607 27.269 1.00 5.23 O HETATM 2363 O HOH A2098 14.209 70.415 33.636 1.00 41.02 O HETATM 2364 O HOH A2099 15.268 64.291 30.362 1.00 20.37 O HETATM 2365 O HOH A2100 21.309 67.922 36.608 1.00 45.48 O HETATM 2366 O HOH A2101 19.569 61.345 37.949 1.00 5.33 O HETATM 2367 O HOH A2102 17.794 58.505 36.851 1.00 35.68 O HETATM 2368 O HOH A2103 21.924 52.943 40.509 1.00 38.24 O HETATM 2369 O HOH A2104 6.930 53.016 32.477 1.00 18.22 O HETATM 2370 O HOH A2105 6.963 50.732 36.524 1.00 27.39 O HETATM 2371 O HOH A2106 -1.637 47.950 21.565 1.00 30.94 O HETATM 2372 O HOH A2107 1.262 42.403 21.498 1.00 44.01 O HETATM 2373 O HOH A2108 6.908 44.500 26.363 1.00 25.61 O HETATM 2374 O HOH A2109 10.114 36.256 27.977 1.00 37.38 O HETATM 2375 O HOH A2110 11.104 35.167 24.670 1.00 47.91 O HETATM 2376 O HOH A2111 10.478 38.738 27.071 1.00 43.09 O HETATM 2377 O HOH A2112 17.006 36.407 22.540 1.00 36.73 O HETATM 2378 O HOH A2113 29.800 50.378 31.607 1.00 47.48 O HETATM 2379 O HOH A2114 1.123 56.195 28.778 1.00 45.21 O HETATM 2380 O HOH A2115 0.731 63.874 25.525 1.00 32.56 O HETATM 2381 O HOH B5001 24.364 47.131 38.121 1.00 30.46 O HETATM 2382 O HOH B5002 35.082 42.383 33.893 1.00 28.54 O HETATM 2383 O HOH B5003 21.805 39.929 47.694 1.00 43.85 O HETATM 2384 O HOH B5004 9.366 42.921 42.256 1.00 43.73 O HETATM 2385 O HOH B5005 12.322 44.832 44.079 1.00 39.08 O HETATM 2386 O HOH B5006 29.992 36.409 58.346 1.00 39.39 O HETATM 2387 O HOH B5007 38.686 26.941 52.833 1.00 20.06 O HETATM 2388 O HOH B5008 23.982 18.325 41.001 1.00 43.65 O HETATM 2389 O HOH B5009 17.992 22.789 30.044 1.00 40.45 O HETATM 2390 O HOH B5010 35.788 21.596 35.555 1.00 39.72 O HETATM 2391 O HOH B5011 13.785 16.965 31.170 1.00 33.86 O HETATM 2392 O HOH B5012 1.293 25.721 43.085 1.00 28.57 O HETATM 2393 O HOH B5013 17.729 44.531 44.976 1.00 33.77 O HETATM 2394 O HOH B5014 4.033 41.624 51.595 1.00 52.20 O HETATM 2395 O HOH B5015 25.966 48.021 41.915 1.00 29.94 O HETATM 2396 O HOH B5016 23.758 44.594 37.999 1.00 15.13 O HETATM 2397 O HOH B5017 4.598 40.323 36.575 1.00 42.96 O HETATM 2398 O HOH B5018 7.147 41.292 38.650 1.00 20.43 O HETATM 2399 O HOH B5019 7.012 40.709 30.208 1.00 28.00 O HETATM 2400 O HOH B5020 10.570 39.662 29.428 1.00 35.20 O HETATM 2401 O HOH B5021 7.686 34.600 27.921 1.00 21.52 O HETATM 2402 O HOH B5022 6.297 26.750 28.629 1.00 32.76 O HETATM 2403 O HOH B5023 12.679 28.370 31.647 1.00 20.74 O HETATM 2404 O HOH B5024 7.515 29.399 25.833 1.00 34.18 O HETATM 2405 O HOH B5025 30.207 35.607 28.526 1.00 41.69 O HETATM 2406 O HOH B5026 31.693 43.524 29.826 1.00 40.74 O HETATM 2407 O HOH B5027 31.010 44.306 38.836 1.00 19.50 O HETATM 2408 O HOH B5028 35.036 43.190 36.441 1.00 23.62 O HETATM 2409 O HOH B5029 35.193 43.586 48.682 1.00 42.95 O HETATM 2410 O HOH B5030 38.448 39.576 45.144 1.00 33.40 O HETATM 2411 O HOH B5031 30.907 39.212 49.596 1.00 31.05 O HETATM 2412 O HOH B5032 27.798 35.877 49.590 1.00 16.81 O HETATM 2413 O HOH B5033 20.030 37.800 48.372 1.00 23.73 O HETATM 2414 O HOH B5034 8.321 40.783 40.945 1.00 34.36 O HETATM 2415 O HOH B5035 4.636 37.203 46.710 1.00 45.78 O HETATM 2416 O HOH B5036 6.135 39.427 48.926 1.00 32.45 O HETATM 2417 O HOH B5037 8.800 42.001 47.590 1.00 42.75 O HETATM 2418 O HOH B5038 10.513 42.419 45.082 1.00 22.49 O HETATM 2419 O HOH B5039 15.884 39.290 47.991 1.00 20.77 O HETATM 2420 O HOH B5040 11.816 44.539 47.759 1.00 45.62 O HETATM 2421 O HOH B5041 12.345 38.071 53.694 1.00 30.00 O HETATM 2422 O HOH B5042 5.982 36.959 50.635 1.00 18.60 O HETATM 2423 O HOH B5043 39.232 31.843 47.423 1.00 34.79 O HETATM 2424 O HOH B5044 35.553 37.572 53.120 1.00 18.59 O HETATM 2427 O HOH B5047 27.219 39.047 51.270 1.00 38.91 O HETATM 2428 O HOH B5048 27.614 34.808 57.659 1.00 30.93 O HETATM 2429 O HOH B5049 31.881 36.722 55.035 1.00 21.40 O HETATM 2430 O HOH B5050 36.551 28.235 53.688 1.00 19.99 O HETATM 2431 O HOH B5051 36.799 25.529 49.318 1.00 13.63 O HETATM 2432 O HOH B5052 39.025 26.704 47.499 1.00 22.92 O HETATM 2433 O HOH B5053 36.093 24.626 44.624 1.00 14.22 O HETATM 2434 O HOH B5054 12.047 27.220 49.569 1.00 13.57 O HETATM 2435 O HOH B5055 17.397 37.887 49.754 1.00 31.14 O HETATM 2436 O HOH B5056 15.717 38.536 54.023 1.00 28.06 O HETATM 2437 O HOH B5057 7.971 25.756 51.576 1.00 47.29 O HETATM 2438 O HOH B5058 4.447 29.164 51.516 1.00 35.19 O HETATM 2439 O HOH B5059 5.981 27.065 48.034 1.00 20.05 O HETATM 2440 O HOH B5060 7.579 37.622 52.918 1.00 31.08 O HETATM 2441 O HOH B5061 3.659 37.424 52.848 1.00 38.18 O HETATM 2442 O HOH B5062 4.789 37.689 53.913 1.00 5.15 O HETATM 2443 O HOH B5063 12.303 27.829 52.220 1.00 12.51 O HETATM 2444 O HOH B5064 15.623 25.894 56.037 1.00 16.81 O HETATM 2445 O HOH B5065 18.022 37.324 54.072 1.00 26.08 O HETATM 2446 O HOH B5066 18.893 27.905 55.527 1.00 23.69 O HETATM 2447 O HOH B5067 17.489 24.071 56.003 1.00 18.51 O HETATM 2449 O HOH B5069 21.110 25.328 54.613 1.00 21.62 O HETATM 2450 O HOH B5070 22.939 22.415 52.991 1.00 20.89 O HETATM 2451 O HOH B5071 21.914 22.385 43.253 1.00 13.01 O HETATM 2452 O HOH B5072 24.517 19.762 45.643 1.00 16.84 O HETATM 2453 O HOH B5073 31.135 25.608 51.305 1.00 10.90 O HETATM 2454 O HOH B5074 31.027 25.054 44.071 1.00 10.43 O HETATM 2455 O HOH B5075 23.775 19.889 43.156 1.00 21.88 O HETATM 2456 O HOH B5076 33.988 32.497 34.292 1.00 38.02 O HETATM 2457 O HOH B5077 38.264 32.124 41.261 1.00 32.08 O HETATM 2458 O HOH B5078 37.800 29.749 38.967 1.00 46.11 O HETATM 2459 O HOH B5079 33.774 34.830 36.783 1.00 18.76 O HETATM 2460 O HOH B5080 40.880 37.453 39.921 1.00 39.02 O HETATM 2461 O HOH B5081 39.737 38.150 36.680 1.00 31.67 O HETATM 2462 O HOH B5082 36.474 38.800 31.259 1.00 5.74 O HETATM 2463 O HOH B5083 31.088 33.463 30.633 1.00 19.28 O HETATM 2464 O HOH B5084 13.695 18.460 35.951 1.00 16.41 O HETATM 2465 O HOH B5085 14.989 22.375 34.564 1.00 16.84 O HETATM 2466 O HOH B5086 15.872 17.677 42.333 1.00 25.78 O HETATM 2468 O HOH B5088 17.362 20.609 31.967 1.00 24.53 O HETATM 2469 O HOH B5089 27.531 24.378 26.098 1.00 19.26 O HETATM 2470 O HOH B5090 30.983 27.553 27.807 1.00 27.63 O HETATM 2471 O HOH B5091 31.405 21.967 29.411 1.00 16.48 O HETATM 2472 O HOH B5092 35.144 24.134 35.944 1.00 23.85 O HETATM 2473 O HOH B5093 33.825 22.682 31.834 1.00 31.24 O HETATM 2474 O HOH B5094 33.244 21.379 34.553 1.00 21.06 O HETATM 2475 O HOH B5095 27.007 20.615 41.073 1.00 13.44 O HETATM 2476 O HOH B5096 30.557 17.835 39.061 1.00 42.93 O HETATM 2478 O HOH B5098 16.567 15.375 36.172 1.00 19.34 O HETATM 2479 O HOH B5099 15.734 18.530 31.951 1.00 19.09 O HETATM 2480 O HOH B5100 21.183 19.124 42.823 1.00 40.74 O HETATM 2481 O HOH B5101 13.669 26.554 44.294 1.00 12.48 O HETATM 2482 O HOH B5102 11.334 27.342 43.192 1.00 20.94 O HETATM 2483 O HOH B5103 9.572 25.957 49.304 1.00 16.93 O HETATM 2484 O HOH B5104 14.784 20.264 47.815 1.00 11.42 O HETATM 2485 O HOH B5105 5.304 28.986 46.113 1.00 31.43 O HETATM 2486 O HOH B5106 7.030 21.619 41.968 1.00 9.11 O HETATM 2487 O HOH B5107 2.762 25.225 40.747 1.00 27.89 O HETATM 2488 O HOH B5108 3.035 26.246 45.020 1.00 21.79 O HETATM 2489 O HOH B5109 5.741 24.695 37.123 1.00 28.50 O HETATM 2490 O HOH B5110 0.517 29.631 35.611 1.00 45.68 O HETATM 2491 O HOH B5111 3.577 27.789 33.101 1.00 45.62 O HETATM 2492 O HOH B5112 3.901 30.124 39.509 1.00 36.43 O HETATM 2493 O HOH B5113 -0.962 24.369 38.791 1.00 12.32 O HETATM 2494 O HOH B5114 3.997 23.763 38.939 1.00 34.13 O HETATM 2495 O HOH B5115 7.269 34.515 39.325 1.00 17.03 O HETATM 2496 O HOH B5116 16.918 40.100 45.690 1.00 16.58 O HETATM 2497 O HOH B5117 14.729 43.992 44.947 1.00 18.36 O HETATM 2498 O HOH B5118 19.728 44.579 43.254 1.00 41.95 O HETATM 2499 O HOH B5119 26.069 45.446 40.347 1.00 24.86 O HETATM 2500 O HOH B5120 24.488 40.103 48.036 1.00 22.38 O HETATM 2501 O HOH B5121 28.325 40.019 47.205 1.00 21.96 O HETATM 2502 O HOH B5122 24.785 44.347 47.160 1.00 39.55 O HETATM 2503 O HOH B5123 29.126 45.586 40.352 1.00 25.64 O HETATM 2504 O HOH B5124 33.005 44.425 46.438 1.00 41.55 O HETATM 2505 O HOH B5125 32.084 41.147 47.942 1.00 16.80 O HETATM 2506 O HOH B5126 31.728 45.741 44.288 1.00 38.82 O HETATM 2507 O HOH B5127 23.550 47.401 34.656 1.00 38.66 O HETATM 2508 O HOH B5128 26.177 48.137 32.807 1.00 45.56 O HETATM 2509 O HOH B5129 26.741 44.656 27.100 1.00 28.30 O HETATM 2512 O HOH B5132 28.523 27.100 27.494 1.00 25.43 O CONECT 96 95 103 97 CONECT 107 110 108 104 CONECT 104 105 107 103 CONECT 105 106 104 CONECT 103 96 104 CONECT 108 107 CONECT 109 106 CONECT 106 105 109 CONECT 110 111 107 CONECT 659 658 2244 CONECT 998 2248 997 CONECT 2200 2195 2201 2205 CONECT 2195 2202 2200 2196 CONECT 2196 2195 2203 2197 CONECT 2197 2204 2198 2196 CONECT 2198 2199 2205 2197 CONECT 2199 2198 2206 CONECT 2201 2200 CONECT 2202 2195 CONECT 2203 2196 CONECT 2204 2207 2197 CONECT 2205 2200 2198 CONECT 2206 2199 CONECT 2207 2204 2208 2216 CONECT 2208 2213 2209 2207 CONECT 2209 2208 2214 2210 CONECT 2210 2209 2211 2215 CONECT 2211 2216 2212 2210 CONECT 2212 2211 2217 CONECT 2213 2208 CONECT 2214 2209 CONECT 2215 2210 CONECT 2216 2211 2207 CONECT 2217 2212 CONECT 2241 2243 2242 CONECT 2242 2244 2241 CONECT 2243 2241 CONECT 2244 659 2242 CONECT 2245 2247 2246 CONECT 2246 2248 2245 CONECT 2247 2245 CONECT 2248 2246 998 END If you find results from this site helpful for your research, please cite one of our papers:
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