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*** opt_a_lac ***elNémo ID: 2406061849031399629Job options:ID = 2406061849031399629 JOBID = opt_a_lac 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 opt_a_lac 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 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 2.067 43.786 28.450 1.00 44.07 N ATOM 2 CA ALA A1001 1.308 42.783 29.226 1.00 43.70 C ATOM 3 C ALA A1001 1.480 42.800 30.768 1.00 42.91 C ATOM 4 O ALA A1001 0.712 42.103 31.417 1.00 43.72 O ATOM 5 CB ALA A1001 1.615 41.381 28.676 1.00 43.69 C ATOM 6 HA ALA A1001 0.249 42.973 29.049 1.00 0.00 H ATOM 7 HB1 ALA A1001 0.977 40.642 29.162 1.00 0.00 H ATOM 8 HB2 ALA A1001 1.422 41.351 27.605 1.00 0.00 H ATOM 9 HB3 ALA A1001 2.657 41.117 28.859 1.00 0.00 H ATOM 10 H1 ALA A1001 1.830 43.741 27.472 1.00 0.00 H ATOM 11 H2 ALA A1001 1.914 44.739 28.766 1.00 0.00 H ATOM 12 H3 ALA A1001 3.056 43.601 28.539 1.00 0.00 H ATOM 13 N SER A1002 2.366 43.528 31.462 1.00 40.89 N ATOM 14 CA SER A1002 3.357 44.530 31.036 1.00 37.86 C ATOM 15 C SER A1002 4.534 43.934 30.243 1.00 34.79 C ATOM 16 O SER A1002 4.403 42.806 29.761 1.00 35.30 O ATOM 17 CB SER A1002 3.818 45.351 32.249 1.00 38.22 C ATOM 18 OG SER A1002 4.436 46.543 31.819 1.00 40.67 O ATOM 19 H SER A1002 2.316 43.365 32.457 1.00 0.00 H ATOM 20 HA SER A1002 2.847 45.227 30.390 1.00 0.00 H ATOM 21 HB2 SER A1002 2.954 45.615 32.860 1.00 0.00 H ATOM 22 HB3 SER A1002 4.517 44.771 32.856 1.00 0.00 H ATOM 23 HG SER A1002 3.784 47.053 31.277 1.00 0.00 H ATOM 24 N GLY A1003 5.461 44.765 29.770 1.00 30.01 N ATOM 25 CA GLY A1003 6.690 44.299 29.124 1.00 23.13 C ATOM 26 C GLY A1003 7.771 43.983 30.160 1.00 18.77 C ATOM 27 O GLY A1003 7.470 43.569 31.280 1.00 16.97 O ATOM 28 H GLY A1003 5.467 45.715 30.140 1.00 0.00 H ATOM 29 HA2 GLY A1003 7.053 45.063 28.439 1.00 0.00 H ATOM 30 HA3 GLY A1003 6.499 43.399 28.541 1.00 0.00 H ATOM 31 N LEU A1004 9.044 44.142 29.787 1.00 17.65 N ATOM 32 CA LEU A1004 10.144 44.111 30.754 1.00 17.57 C ATOM 33 C LEU A1004 10.268 45.475 31.452 1.00 17.44 C ATOM 34 O LEU A1004 10.574 46.473 30.799 1.00 14.45 O ATOM 35 CB LEU A1004 11.446 43.696 30.041 1.00 20.18 C ATOM 36 CG LEU A1004 12.697 43.690 30.944 1.00 21.52 C ATOM 37 CD1 LEU A1004 12.579 42.694 32.099 1.00 23.61 C ATOM 38 CD2 LEU A1004 13.918 43.305 30.109 1.00 22.91 C ATOM 39 H LEU A1004 9.227 44.555 28.887 1.00 0.00 H ATOM 40 HA LEU A1004 9.921 43.357 31.511 1.00 0.00 H ATOM 41 HB2 LEU A1004 11.624 44.395 29.225 1.00 0.00 H ATOM 42 HB3 LEU A1004 11.312 42.702 29.615 1.00 0.00 H ATOM 43 HG LEU A1004 12.861 44.688 31.352 1.00 0.00 H ATOM 44 HD21 LEU A1004 14.030 44.004 29.281 1.00 0.00 H ATOM 45 HD22 LEU A1004 13.808 42.295 29.717 1.00 0.00 H ATOM 46 HD23 LEU A1004 14.814 43.355 30.728 1.00 0.00 H ATOM 47 HD11 LEU A1004 11.783 42.996 32.778 1.00 0.00 H ATOM 48 HD12 LEU A1004 12.379 41.693 31.722 1.00 0.00 H ATOM 49 HD13 LEU A1004 13.508 42.688 32.670 1.00 0.00 H ATOM 50 N VAL A1005 10.149 45.477 32.779 1.00 15.57 N ATOM 51 CA VAL A1005 10.572 46.578 33.656 1.00 15.57 C ATOM 52 C VAL A1005 11.935 46.229 34.258 1.00 16.40 C ATOM 53 O VAL A1005 12.153 45.084 34.651 1.00 16.72 O ATOM 54 CB VAL A1005 9.532 46.845 34.762 1.00 15.82 C ATOM 55 CG1 VAL A1005 9.921 48.033 35.654 1.00 17.24 C ATOM 56 CG2 VAL A1005 8.145 47.140 34.172 1.00 16.21 C ATOM 57 H VAL A1005 9.938 44.601 33.231 1.00 0.00 H ATOM 58 HA VAL A1005 10.683 47.490 33.074 1.00 0.00 H ATOM 59 HB VAL A1005 9.446 45.959 35.390 1.00 0.00 H ATOM 60 HG11 VAL A1005 10.825 47.803 36.215 1.00 0.00 H ATOM 61 HG12 VAL A1005 9.126 48.238 36.371 1.00 0.00 H ATOM 62 HG13 VAL A1005 10.097 48.919 35.042 1.00 0.00 H ATOM 63 HG21 VAL A1005 7.772 46.275 33.620 1.00 0.00 H ATOM 64 HG22 VAL A1005 8.201 47.990 33.492 1.00 0.00 H ATOM 65 HG23 VAL A1005 7.435 47.364 34.970 1.00 0.00 H ATOM 66 N ALA A1006 12.814 47.217 34.402 1.00 15.93 N ATOM 67 CA ALA A1006 14.074 47.119 35.131 1.00 16.11 C ATOM 68 C ALA A1006 14.368 48.446 35.857 1.00 17.19 C ATOM 69 O ALA A1006 13.937 49.518 35.440 1.00 17.93 O ATOM 70 CB ALA A1006 15.186 46.716 34.153 1.00 15.01 C ATOM 71 H ALA A1006 12.547 48.148 34.089 1.00 0.00 H ATOM 72 HA ALA A1006 13.995 46.340 35.890 1.00 0.00 H ATOM 73 HB1 ALA A1006 16.132 46.616 34.686 1.00 0.00 H ATOM 74 HB2 ALA A1006 14.940 45.769 33.667 1.00 0.00 H ATOM 75 HB3 ALA A1006 15.303 47.492 33.398 1.00 0.00 H ATOM 76 N SER A1007 15.132 48.378 36.940 1.00 17.05 N ATOM 77 CA SER A1007 15.448 49.502 37.819 1.00 19.20 C ATOM 78 C SER A1007 16.898 49.453 38.291 1.00 19.59 C ATOM 79 O SER A1007 17.585 48.446 38.125 1.00 17.66 O ATOM 80 CB SER A1007 14.513 49.479 39.030 1.00 21.33 C ATOM 81 OG SER A1007 14.729 48.364 39.861 1.00 28.68 O ATOM 82 H SER A1007 15.454 47.471 37.253 1.00 0.00 H ATOM 83 HA SER A1007 15.298 50.438 37.283 1.00 0.00 H ATOM 84 HB2 SER A1007 14.660 50.373 39.624 1.00 0.00 H ATOM 85 HB3 SER A1007 13.479 49.468 38.675 1.00 0.00 H ATOM 86 HG SER A1007 15.410 48.566 40.531 1.00 0.00 H ATOM 87 N ASN A1008 17.346 50.547 38.908 1.00 20.97 N ATOM 88 CA ASN A1008 18.707 50.740 39.401 1.00 22.43 C ATOM 89 C ASN A1008 19.792 50.713 38.286 1.00 22.63 C ATOM 90 O ASN A1008 20.968 50.621 38.619 1.00 22.38 O ATOM 91 CB ASN A1008 18.975 49.785 40.590 1.00 25.64 C ATOM 92 CG ASN A1008 17.878 49.792 41.639 1.00 28.26 C ATOM 93 OD1 ASN A1008 16.838 49.166 41.497 1.00 31.33 O ATOM 94 ND2 ASN A1008 17.952 50.646 42.627 1.00 29.35 N ATOM 95 H ASN A1008 16.745 51.352 38.870 1.00 0.00 H ATOM 96 HA ASN A1008 18.733 51.762 39.794 1.00 0.00 H ATOM 97 HB2 ASN A1008 19.090 48.768 40.225 1.00 0.00 H ATOM 98 HB3 ASN A1008 19.915 50.074 41.056 1.00 0.00 H ATOM 99 HD21 ASN A1008 18.784 51.157 42.817 1.00 0.00 H ATOM 100 HD22 ASN A1008 17.171 50.683 43.249 1.00 0.00 H ATOM 101 N LEU A1009 19.415 50.999 37.024 1.00 21.84 N ATOM 102 CA LEU A1009 20.253 50.882 35.815 1.00 23.08 C ATOM 103 C LEU A1009 21.596 51.636 35.851 1.00 24.30 C ATOM 104 O LEU A1009 22.512 51.237 35.144 1.00 25.08 O ATOM 105 CB LEU A1009 19.440 51.369 34.599 1.00 22.70 C ATOM 106 CG LEU A1009 18.654 50.280 33.859 1.00 24.00 C ATOM 107 CD1 LEU A1009 17.503 49.721 34.696 1.00 25.97 C ATOM 108 CD2 LEU A1009 18.057 50.858 32.573 1.00 24.25 C ATOM 109 H LEU A1009 18.423 51.123 36.871 1.00 0.00 H ATOM 110 HA LEU A1009 20.500 49.829 35.680 1.00 0.00 H ATOM 111 HB2 LEU A1009 20.124 51.819 33.881 1.00 0.00 H ATOM 112 HB3 LEU A1009 18.745 52.149 34.902 1.00 0.00 H ATOM 113 HG LEU A1009 19.321 49.462 33.589 1.00 0.00 H ATOM 114 HD21 LEU A1009 17.536 50.077 32.017 1.00 0.00 H ATOM 115 HD22 LEU A1009 17.361 51.667 32.804 1.00 0.00 H ATOM 116 HD23 LEU A1009 18.858 51.249 31.943 1.00 0.00 H ATOM 117 HD11 LEU A1009 16.916 49.032 34.091 1.00 0.00 H ATOM 118 HD12 LEU A1009 17.904 49.170 35.545 1.00 0.00 H ATOM 119 HD13 LEU A1009 16.856 50.527 35.044 1.00 0.00 H ATOM 120 N ASN A1010 21.714 52.716 36.630 1.00 24.63 N ATOM 121 CA ASN A1010 22.904 53.563 36.804 1.00 26.09 C ATOM 122 C ASN A1010 23.421 54.320 35.558 1.00 25.32 C ATOM 123 O ASN A1010 24.069 55.341 35.769 1.00 25.47 O ATOM 124 CB ASN A1010 23.998 52.736 37.519 1.00 27.63 C ATOM 125 CG ASN A1010 25.336 53.448 37.605 1.00 29.97 C ATOM 126 OD1 ASN A1010 25.517 54.378 38.380 1.00 30.45 O ATOM 127 ND2 ASN A1010 26.269 53.120 36.740 1.00 30.48 N ATOM 128 H ASN A1010 20.897 52.977 37.153 1.00 0.00 H ATOM 129 HA ASN A1010 22.615 54.359 37.490 1.00 0.00 H ATOM 130 HB2 ASN A1010 24.148 51.787 37.005 1.00 0.00 H ATOM 131 HB3 ASN A1010 23.670 52.508 38.532 1.00 0.00 H ATOM 132 HD21 ASN A1010 26.072 52.459 36.003 1.00 0.00 H ATOM 133 HD22 ASN A1010 27.120 53.652 36.719 1.00 0.00 H ATOM 134 N LEU A1011 23.094 53.888 34.336 1.00 24.75 N ATOM 135 CA LEU A1011 23.662 54.274 33.032 1.00 24.14 C ATOM 136 C LEU A1011 24.068 55.762 32.900 1.00 24.04 C ATOM 137 O LEU A1011 23.234 56.653 33.096 1.00 23.58 O ATOM 138 CB LEU A1011 22.627 53.871 31.963 1.00 25.42 C ATOM 139 CG LEU A1011 23.150 53.835 30.515 1.00 26.92 C ATOM 140 CD1 LEU A1011 23.828 52.499 30.208 1.00 28.63 C ATOM 141 CD2 LEU A1011 21.986 53.994 29.536 1.00 27.59 C ATOM 142 H LEU A1011 22.558 53.032 34.319 1.00 0.00 H ATOM 143 HA LEU A1011 24.552 53.667 32.878 1.00 0.00 H ATOM 144 HB2 LEU A1011 21.827 54.601 32.019 1.00 0.00 H ATOM 145 HB3 LEU A1011 22.197 52.899 32.208 1.00 0.00 H ATOM 146 HG LEU A1011 23.842 54.658 30.351 1.00 0.00 H ATOM 147 HD21 LEU A1011 22.362 53.939 28.513 1.00 0.00 H ATOM 148 HD22 LEU A1011 21.250 53.209 29.698 1.00 0.00 H ATOM 149 HD23 LEU A1011 21.526 54.970 29.678 1.00 0.00 H ATOM 150 HD11 LEU A1011 23.138 51.671 30.360 1.00 0.00 H ATOM 151 HD12 LEU A1011 24.175 52.491 29.175 1.00 0.00 H ATOM 152 HD13 LEU A1011 24.695 52.371 30.858 1.00 0.00 H ATOM 153 N LYS A1012 25.345 56.023 32.591 1.00 23.31 N ATOM 154 CA LYS A1012 26.001 57.350 32.569 1.00 24.70 C ATOM 155 C LYS A1012 26.136 57.965 31.169 1.00 23.69 C ATOM 156 O LYS A1012 26.026 57.259 30.167 1.00 21.95 O ATOM 157 CB LYS A1012 27.388 57.256 33.255 1.00 26.91 C ATOM 158 CG LYS A1012 27.421 57.873 34.662 1.00 31.82 C ATOM 159 CD LYS A1012 26.421 57.164 35.571 1.00 32.33 C ATOM 160 CE LYS A1012 26.317 57.774 36.963 1.00 34.81 C ATOM 161 NZ LYS A1012 25.266 57.053 37.713 1.00 33.13 N ATOM 162 H LYS A1012 25.931 55.212 32.376 1.00 0.00 H ATOM 163 HA LYS A1012 25.365 58.032 33.125 1.00 0.00 H ATOM 164 HB2 LYS A1012 27.698 56.214 33.325 1.00 0.00 H ATOM 165 HB3 LYS A1012 28.141 57.764 32.648 1.00 0.00 H ATOM 166 HG2 LYS A1012 27.173 58.932 34.604 1.00 0.00 H ATOM 167 HG3 LYS A1012 28.425 57.767 35.075 1.00 0.00 H ATOM 168 HD2 LYS A1012 25.436 57.250 35.121 1.00 0.00 H ATOM 169 HD3 LYS A1012 26.689 56.108 35.643 1.00 0.00 H ATOM 170 HE2 LYS A1012 27.282 57.707 37.472 1.00 0.00 H ATOM 171 HE3 LYS A1012 26.046 58.829 36.852 1.00 0.00 H ATOM 172 HZ1 LYS A1012 24.946 57.570 38.518 1.00 0.00 H ATOM 173 HZ2 LYS A1012 25.588 56.129 37.999 1.00 0.00 H ATOM 174 HZ3 LYS A1012 24.488 56.857 37.086 1.00 0.00 H ATOM 175 N PRO A1013 26.414 59.284 31.079 1.00 24.25 N ATOM 176 CA PRO A1013 26.576 59.962 29.801 1.00 24.51 C ATOM 177 C PRO A1013 27.728 59.377 28.966 1.00 24.19 C ATOM 178 O PRO A1013 28.894 59.498 29.338 1.00 24.81 O ATOM 179 CB PRO A1013 26.766 61.448 30.126 1.00 25.02 C ATOM 180 CG PRO A1013 26.060 61.595 31.472 1.00 24.58 C ATOM 181 CD PRO A1013 26.396 60.270 32.150 1.00 24.68 C ATOM 182 HA PRO A1013 25.636 59.845 29.273 1.00 0.00 H ATOM 183 HB2 PRO A1013 27.824 61.685 30.249 1.00 0.00 H ATOM 184 HB3 PRO A1013 26.318 62.084 29.363 1.00 0.00 H ATOM 185 HG2 PRO A1013 24.982 61.671 31.322 1.00 0.00 H ATOM 186 HG3 PRO A1013 26.436 62.446 32.041 1.00 0.00 H ATOM 187 HD2 PRO A1013 25.644 60.050 32.903 1.00 0.00 H ATOM 188 HD3 PRO A1013 27.386 60.327 32.605 1.00 0.00 H ATOM 189 N GLY A1014 27.392 58.824 27.802 1.00 23.56 N ATOM 190 CA GLY A1014 28.281 58.126 26.869 1.00 23.34 C ATOM 191 C GLY A1014 27.979 56.630 26.714 1.00 23.62 C ATOM 192 O GLY A1014 28.237 56.084 25.646 1.00 23.60 O ATOM 193 H GLY A1014 26.403 58.822 27.573 1.00 0.00 H ATOM 194 HA2 GLY A1014 29.313 58.219 27.208 1.00 0.00 H ATOM 195 HA3 GLY A1014 28.196 58.589 25.887 1.00 0.00 H ATOM 196 N GLU A1015 27.332 56.009 27.702 1.00 22.71 N ATOM 197 CA GLU A1015 26.923 54.594 27.687 1.00 23.58 C ATOM 198 C GLU A1015 25.627 54.377 26.862 1.00 22.91 C ATOM 199 O GLU A1015 24.857 55.325 26.632 1.00 22.00 O ATOM 200 CB GLU A1015 26.779 54.091 29.141 1.00 25.90 C ATOM 201 CG GLU A1015 28.027 54.313 30.030 1.00 29.69 C ATOM 202 CD GLU A1015 27.849 53.906 31.509 1.00 33.50 C ATOM 203 OE1 GLU A1015 28.788 54.172 32.294 1.00 35.14 O ATOM 204 OE2 GLU A1015 26.693 53.684 31.942 1.00 37.12 O ATOM 205 H GLU A1015 27.073 56.541 28.524 1.00 0.00 H ATOM 206 HA GLU A1015 27.706 53.999 27.209 1.00 0.00 H ATOM 207 HB2 GLU A1015 25.934 54.606 29.592 1.00 0.00 H ATOM 208 HB3 GLU A1015 26.561 53.023 29.117 1.00 0.00 H ATOM 209 HG2 GLU A1015 28.298 55.371 30.012 1.00 0.00 H ATOM 210 HG3 GLU A1015 28.860 53.750 29.603 1.00 0.00 H HETATM 211 N CSO A1016 25.343 53.108 26.383 1.00 23.00 N HETATM 212 CA CSO A1016 24.304 52.848 25.370 1.00 22.50 C HETATM 213 CB CSO A1016 24.935 52.632 23.974 1.00 24.89 C HETATM 214 SG CSO A1016 23.639 52.284 22.697 1.00 30.68 S HETATM 215 C CSO A1016 23.420 51.658 25.766 1.00 20.62 C HETATM 216 O CSO A1016 23.781 50.501 25.679 1.00 19.61 O HETATM 217 OD CSO A1016 23.756 50.600 22.615 1.00 23.93 O HETATM 218 H CSO A1016 26.051 52.388 26.531 1.00 0.00 H HETATM 219 HA CSO A1016 23.642 53.715 25.314 1.00 0.00 H HETATM 220 HB2 CSO A1016 25.481 53.538 23.685 1.00 0.00 H HETATM 221 HB3 CSO A1016 25.650 51.799 24.008 1.00 0.00 H HETATM 222 HD CSO A1016 23.434 50.251 23.470 1.00 0.00 H ATOM 223 N LEU A1017 22.090 51.953 25.999 1.00 18.10 N ATOM 224 CA LEU A1017 21.080 50.919 26.208 1.00 15.99 C ATOM 225 C LEU A1017 20.655 50.278 24.877 1.00 15.39 C ATOM 226 O LEU A1017 19.994 50.903 24.045 1.00 13.71 O ATOM 227 CB LEU A1017 19.891 51.512 26.973 1.00 18.01 C ATOM 228 CG LEU A1017 18.822 50.456 27.302 1.00 19.35 C ATOM 229 CD1 LEU A1017 19.249 49.524 28.434 1.00 21.78 C ATOM 230 CD2 LEU A1017 17.543 51.154 27.733 1.00 22.73 C ATOM 231 H LEU A1017 21.797 52.921 25.891 1.00 0.00 H ATOM 232 HA LEU A1017 21.526 50.143 26.831 1.00 0.00 H ATOM 233 HB2 LEU A1017 19.447 52.295 26.356 1.00 0.00 H ATOM 234 HB3 LEU A1017 20.245 51.971 27.896 1.00 0.00 H ATOM 235 HG LEU A1017 18.594 49.858 26.423 1.00 0.00 H ATOM 236 HD21 LEU A1017 16.775 50.413 27.947 1.00 0.00 H ATOM 237 HD22 LEU A1017 17.198 51.797 26.923 1.00 0.00 H ATOM 238 HD23 LEU A1017 17.738 51.754 28.621 1.00 0.00 H ATOM 239 HD11 LEU A1017 18.443 48.831 28.666 1.00 0.00 H ATOM 240 HD12 LEU A1017 20.120 48.943 28.131 1.00 0.00 H ATOM 241 HD13 LEU A1017 19.498 50.104 29.322 1.00 0.00 H ATOM 242 N ARG A1018 20.891 48.971 24.753 1.00 13.82 N ATOM 243 CA ARG A1018 20.550 48.151 23.586 1.00 13.99 C ATOM 244 C ARG A1018 19.307 47.311 23.862 1.00 13.90 C ATOM 245 O ARG A1018 19.353 46.427 24.711 1.00 12.49 O ATOM 246 CB ARG A1018 21.779 47.283 23.298 1.00 17.15 C ATOM 247 CG ARG A1018 21.616 46.394 22.061 1.00 22.93 C ATOM 248 CD ARG A1018 22.852 45.509 21.840 1.00 26.46 C ATOM 249 NE ARG A1018 24.094 46.291 21.808 1.00 30.40 N ATOM 250 CZ ARG A1018 24.434 47.158 20.882 1.00 32.13 C ATOM 251 NH1 ARG A1018 25.395 47.983 21.161 1.00 33.50 N ATOM 252 NH2 ARG A1018 23.805 47.252 19.736 1.00 32.86 N ATOM 253 H ARG A1018 21.376 48.510 25.521 1.00 0.00 H ATOM 254 HA ARG A1018 20.356 48.793 22.724 1.00 0.00 H ATOM 255 HB2 ARG A1018 22.631 47.951 23.154 1.00 0.00 H ATOM 256 HB3 ARG A1018 21.990 46.655 24.163 1.00 0.00 H ATOM 257 HG2 ARG A1018 21.459 47.038 21.197 1.00 0.00 H ATOM 258 HG3 ARG A1018 20.747 45.746 22.172 1.00 0.00 H ATOM 259 HD2 ARG A1018 22.737 44.957 20.906 1.00 0.00 H ATOM 260 HD3 ARG A1018 22.925 44.794 22.656 1.00 0.00 H ATOM 261 HE ARG A1018 24.619 46.403 22.685 1.00 0.00 H ATOM 262 HH11 ARG A1018 25.740 47.931 22.134 1.00 0.00 H ATOM 263 HH12 ARG A1018 25.561 48.809 20.631 1.00 0.00 H ATOM 264 HH21 ARG A1018 24.034 47.981 19.096 1.00 0.00 H ATOM 265 HH22 ARG A1018 22.969 46.683 19.563 1.00 0.00 H ATOM 266 N VAL A1019 18.259 47.431 23.047 1.00 12.25 N ATOM 267 CA VAL A1019 16.984 46.716 23.253 1.00 12.51 C ATOM 268 C VAL A1019 16.525 46.019 21.970 1.00 13.91 C ATOM 269 O VAL A1019 16.080 46.682 21.036 1.00 11.92 O ATOM 270 CB VAL A1019 15.890 47.671 23.781 1.00 12.24 C ATOM 271 CG1 VAL A1019 14.621 46.885 24.131 1.00 14.18 C ATOM 272 CG2 VAL A1019 16.323 48.434 25.039 1.00 13.15 C ATOM 273 H VAL A1019 18.285 48.171 22.350 1.00 0.00 H ATOM 274 HA VAL A1019 17.125 45.945 24.010 1.00 0.00 H ATOM 275 HB VAL A1019 15.644 48.404 23.012 1.00 0.00 H ATOM 276 HG11 VAL A1019 14.244 46.370 23.250 1.00 0.00 H ATOM 277 HG12 VAL A1019 14.838 46.156 24.909 1.00 0.00 H ATOM 278 HG13 VAL A1019 13.854 47.573 24.486 1.00 0.00 H ATOM 279 HG21 VAL A1019 17.137 49.116 24.790 1.00 0.00 H ATOM 280 HG22 VAL A1019 16.654 47.740 25.811 1.00 0.00 H ATOM 281 HG23 VAL A1019 15.495 49.031 25.421 1.00 0.00 H ATOM 282 N ARG A1020 16.465 44.679 21.980 1.00 13.36 N ATOM 283 CA ARG A1020 15.935 43.845 20.883 1.00 14.68 C ATOM 284 C ARG A1020 14.632 43.150 21.284 1.00 15.39 C ATOM 285 O ARG A1020 14.565 42.529 22.348 1.00 14.72 O ATOM 286 CB ARG A1020 17.013 42.843 20.441 1.00 18.20 C ATOM 287 CG ARG A1020 16.679 42.094 19.137 1.00 22.14 C ATOM 288 CD ARG A1020 17.730 41.025 18.799 1.00 26.75 C ATOM 289 NE ARG A1020 19.074 41.600 18.606 1.00 31.48 N ATOM 290 CZ ARG A1020 20.248 41.061 18.871 1.00 33.16 C ATOM 291 NH1 ARG A1020 20.385 39.843 19.311 1.00 34.41 N ATOM 292 NH2 ARG A1020 21.321 41.772 18.735 1.00 34.55 N ATOM 293 H ARG A1020 16.797 44.203 22.810 1.00 0.00 H ATOM 294 HA ARG A1020 15.712 44.490 20.035 1.00 0.00 H ATOM 295 HB2 ARG A1020 17.152 42.115 21.239 1.00 0.00 H ATOM 296 HB3 ARG A1020 17.950 43.386 20.298 1.00 0.00 H ATOM 297 HG2 ARG A1020 15.717 41.593 19.240 1.00 0.00 H ATOM 298 HG3 ARG A1020 16.608 42.802 18.313 1.00 0.00 H ATOM 299 HD2 ARG A1020 17.745 40.294 19.608 1.00 0.00 H ATOM 300 HD3 ARG A1020 17.425 40.519 17.881 1.00 0.00 H ATOM 301 HE ARG A1020 19.143 42.591 18.355 1.00 0.00 H ATOM 302 HH11 ARG A1020 19.560 39.313 19.494 1.00 0.00 H ATOM 303 HH12 ARG A1020 21.274 39.589 19.702 1.00 0.00 H ATOM 304 HH21 ARG A1020 21.160 42.767 18.519 1.00 0.00 H ATOM 305 HH22 ARG A1020 22.213 41.460 19.055 1.00 0.00 H ATOM 306 N GLY A1021 13.674 43.062 20.364 1.00 14.77 N ATOM 307 CA GLY A1021 12.386 42.404 20.596 1.00 15.33 C ATOM 308 C GLY A1021 11.633 42.007 19.326 1.00 16.78 C ATOM 309 O GLY A1021 12.018 42.366 18.217 1.00 16.03 O ATOM 310 H GLY A1021 13.811 43.536 19.474 1.00 0.00 H ATOM 311 HA2 GLY A1021 12.547 41.503 21.182 1.00 0.00 H ATOM 312 HA3 GLY A1021 11.743 43.068 21.172 1.00 0.00 H ATOM 313 N GLU A1022 10.587 41.205 19.504 1.00 17.24 N ATOM 314 CA GLU A1022 9.637 40.782 18.471 1.00 19.06 C ATOM 315 C GLU A1022 8.370 41.646 18.529 1.00 18.74 C ATOM 316 O GLU A1022 7.690 41.695 19.556 1.00 18.05 O ATOM 317 CB GLU A1022 9.307 39.290 18.669 1.00 21.74 C ATOM 318 CG GLU A1022 10.445 38.423 18.109 1.00 26.03 C ATOM 319 CD GLU A1022 10.511 36.978 18.625 1.00 29.68 C ATOM 320 OE1 GLU A1022 11.600 36.392 18.416 1.00 31.39 O ATOM 321 OE2 GLU A1022 9.839 36.626 19.628 1.00 31.81 O ATOM 322 H GLU A1022 10.354 40.950 20.456 1.00 0.00 H ATOM 323 HA GLU A1022 10.083 40.907 17.483 1.00 0.00 H ATOM 324 HB2 GLU A1022 9.181 39.097 19.736 1.00 0.00 H ATOM 325 HB3 GLU A1022 8.378 39.040 18.156 1.00 0.00 H ATOM 326 HG2 GLU A1022 11.395 38.899 18.365 1.00 0.00 H ATOM 327 HG3 GLU A1022 10.362 38.412 17.021 1.00 0.00 H ATOM 328 N VAL A1023 8.068 42.355 17.444 1.00 19.36 N ATOM 329 CA VAL A1023 6.839 43.142 17.277 1.00 19.16 C ATOM 330 C VAL A1023 5.638 42.197 17.105 1.00 19.25 C ATOM 331 O VAL A1023 5.733 41.202 16.387 1.00 20.32 O ATOM 332 CB VAL A1023 6.980 44.097 16.073 1.00 19.02 C ATOM 333 CG1 VAL A1023 5.749 44.989 15.902 1.00 19.57 C ATOM 334 CG2 VAL A1023 8.190 45.037 16.202 1.00 19.07 C ATOM 335 H VAL A1023 8.655 42.242 16.621 1.00 0.00 H ATOM 336 HA VAL A1023 6.683 43.742 18.172 1.00 0.00 H ATOM 337 HB VAL A1023 7.102 43.501 15.170 1.00 0.00 H ATOM 338 HG21 VAL A1023 9.114 44.463 16.259 1.00 0.00 H ATOM 339 HG22 VAL A1023 8.250 45.679 15.323 1.00 0.00 H ATOM 340 HG23 VAL A1023 8.091 45.658 17.093 1.00 0.00 H ATOM 341 HG11 VAL A1023 5.878 45.633 15.033 1.00 0.00 H ATOM 342 HG12 VAL A1023 5.595 45.599 16.793 1.00 0.00 H ATOM 343 HG13 VAL A1023 4.869 44.376 15.734 1.00 0.00 H ATOM 344 N ALA A1024 4.482 42.510 17.698 1.00 20.77 N ATOM 345 CA ALA A1024 3.265 41.705 17.540 1.00 22.02 C ATOM 346 C ALA A1024 2.797 41.628 16.065 1.00 23.52 C ATOM 347 O ALA A1024 2.957 42.605 15.327 1.00 21.40 O ATOM 348 CB ALA A1024 2.163 42.269 18.444 1.00 21.48 C ATOM 349 H ALA A1024 4.447 43.345 18.274 1.00 0.00 H ATOM 350 HA ALA A1024 3.503 40.698 17.881 1.00 0.00 H ATOM 351 HB1 ALA A1024 1.301 41.600 18.448 1.00 0.00 H ATOM 352 HB2 ALA A1024 2.530 42.379 19.465 1.00 0.00 H ATOM 353 HB3 ALA A1024 1.838 43.237 18.066 1.00 0.00 H ATOM 354 N PRO A1025 2.189 40.511 15.611 1.00 25.42 N ATOM 355 CA PRO A1025 1.766 40.332 14.214 1.00 27.49 C ATOM 356 C PRO A1025 0.640 41.277 13.765 1.00 28.24 C ATOM 357 O PRO A1025 0.500 41.514 12.569 1.00 29.68 O ATOM 358 CB PRO A1025 1.351 38.861 14.101 1.00 28.22 C ATOM 359 CG PRO A1025 0.919 38.505 15.521 1.00 28.09 C ATOM 360 CD PRO A1025 1.890 39.313 16.380 1.00 26.94 C ATOM 361 HA PRO A1025 2.612 40.503 13.550 1.00 0.00 H ATOM 362 HB2 PRO A1025 0.544 38.711 13.382 1.00 0.00 H ATOM 363 HB3 PRO A1025 2.220 38.264 13.823 1.00 0.00 H ATOM 364 HG2 PRO A1025 -0.101 38.852 15.695 1.00 0.00 H ATOM 365 HG3 PRO A1025 1.002 37.435 15.714 1.00 0.00 H ATOM 366 HD2 PRO A1025 2.810 38.745 16.532 1.00 0.00 H ATOM 367 HD3 PRO A1025 1.428 39.550 17.339 1.00 0.00 H ATOM 368 N ASP A1026 -0.079 41.901 14.700 1.00 28.55 N ATOM 369 CA ASP A1026 -1.096 42.924 14.447 1.00 29.92 C ATOM 370 C ASP A1026 -0.810 44.230 15.220 1.00 28.10 C ATOM 371 O ASP A1026 -1.731 44.874 15.716 1.00 28.10 O ATOM 372 CB ASP A1026 -2.499 42.342 14.719 1.00 33.79 C ATOM 373 CG ASP A1026 -2.825 42.097 16.198 1.00 37.07 C ATOM 374 OD1 ASP A1026 -1.896 41.729 16.952 1.00 38.62 O ATOM 375 OD2 ASP A1026 -3.942 42.514 16.596 1.00 39.49 O ATOM 376 H ASP A1026 -0.014 41.586 15.659 1.00 0.00 H ATOM 377 HA ASP A1026 -1.065 43.197 13.391 1.00 0.00 H ATOM 378 HB2 ASP A1026 -2.587 41.397 14.175 1.00 0.00 H ATOM 379 HB3 ASP A1026 -3.236 43.036 14.312 1.00 0.00 H ATOM 380 N ALA A1027 0.462 44.601 15.409 1.00 26.22 N ATOM 381 CA ALA A1027 0.848 45.731 16.260 1.00 23.76 C ATOM 382 C ALA A1027 0.126 47.060 15.931 1.00 22.54 C ATOM 383 O ALA A1027 -0.154 47.394 14.779 1.00 22.55 O ATOM 384 CB ALA A1027 2.370 45.891 16.217 1.00 22.34 C ATOM 385 H ALA A1027 1.195 44.010 15.044 1.00 0.00 H ATOM 386 HA ALA A1027 0.575 45.465 17.284 1.00 0.00 H ATOM 387 HB1 ALA A1027 2.673 46.713 16.865 1.00 0.00 H ATOM 388 HB2 ALA A1027 2.697 46.102 15.199 1.00 0.00 H ATOM 389 HB3 ALA A1027 2.840 44.979 16.576 1.00 0.00 H ATOM 390 N LYS A1028 -0.134 47.831 16.990 1.00 20.36 N ATOM 391 CA LYS A1028 -0.867 49.104 17.050 1.00 20.43 C ATOM 392 C LYS A1028 0.002 50.186 17.703 1.00 18.59 C ATOM 393 O LYS A1028 0.178 51.262 17.135 1.00 16.81 O ATOM 394 CB LYS A1028 -2.163 48.922 17.876 1.00 23.06 C ATOM 395 CG LYS A1028 -2.990 47.652 17.607 1.00 26.16 C ATOM 396 CD LYS A1028 -3.619 47.584 16.204 1.00 30.26 C ATOM 397 CE LYS A1028 -4.327 46.254 15.847 1.00 32.75 C ATOM 398 NZ LYS A1028 -4.141 45.183 16.866 1.00 33.82 N ATOM 399 H LYS A1028 0.113 47.425 17.891 1.00 0.00 H ATOM 400 HA LYS A1028 -1.125 49.433 16.044 1.00 0.00 H ATOM 401 HB2 LYS A1028 -1.894 48.894 18.933 1.00 0.00 H ATOM 402 HB3 LYS A1028 -2.798 49.797 17.732 1.00 0.00 H ATOM 403 HG2 LYS A1028 -3.796 47.613 18.340 1.00 0.00 H ATOM 404 HG3 LYS A1028 -2.346 46.787 17.771 1.00 0.00 H ATOM 405 HD2 LYS A1028 -2.838 47.751 15.464 1.00 0.00 H ATOM 406 HD3 LYS A1028 -4.331 48.408 16.103 1.00 0.00 H ATOM 407 HE2 LYS A1028 -5.388 46.452 15.685 1.00 0.00 H ATOM 408 HE3 LYS A1028 -3.899 45.901 14.900 1.00 0.00 H ATOM 409 HZ1 LYS A1028 -4.478 44.258 16.582 1.00 0.00 H ATOM 410 HZ2 LYS A1028 -4.516 45.414 17.768 1.00 0.00 H ATOM 411 HZ3 LYS A1028 -3.138 45.018 16.963 1.00 0.00 H ATOM 412 N SER A1029 0.696 49.844 18.793 1.00 17.99 N ATOM 413 CA SER A1029 1.648 50.705 19.509 1.00 17.55 C ATOM 414 C SER A1029 2.566 49.882 20.424 1.00 17.05 C ATOM 415 O SER A1029 2.074 49.145 21.278 1.00 17.37 O ATOM 416 CB SER A1029 0.861 51.738 20.331 1.00 20.44 C ATOM 417 OG SER A1029 1.675 52.450 21.242 1.00 22.25 O ATOM 418 H SER A1029 0.533 48.910 19.175 1.00 0.00 H ATOM 419 HA SER A1029 2.262 51.238 18.785 1.00 0.00 H ATOM 420 HB2 SER A1029 0.396 52.447 19.647 1.00 0.00 H ATOM 421 HB3 SER A1029 0.074 51.229 20.892 1.00 0.00 H ATOM 422 HG SER A1029 1.863 51.861 21.982 1.00 0.00 H ATOM 423 N PHE A1030 3.859 50.216 20.466 1.00 14.30 N ATOM 424 CA PHE A1030 4.751 49.796 21.560 1.00 12.32 C ATOM 425 C PHE A1030 5.530 50.967 22.156 1.00 12.42 C ATOM 426 O PHE A1030 5.640 52.028 21.545 1.00 11.03 O ATOM 427 CB PHE A1030 5.655 48.627 21.143 1.00 12.18 C ATOM 428 CG PHE A1030 6.953 48.960 20.420 1.00 12.45 C ATOM 429 CD1 PHE A1030 8.100 49.344 21.146 1.00 13.20 C ATOM 430 CD2 PHE A1030 7.063 48.734 19.035 1.00 13.14 C ATOM 431 CE1 PHE A1030 9.330 49.526 20.489 1.00 13.43 C ATOM 432 CE2 PHE A1030 8.291 48.917 18.376 1.00 13.48 C ATOM 433 CZ PHE A1030 9.426 49.309 19.105 1.00 12.66 C ATOM 434 H PHE A1030 4.200 50.934 19.831 1.00 0.00 H ATOM 435 HA PHE A1030 4.137 49.418 22.378 1.00 0.00 H ATOM 436 HB2 PHE A1030 5.919 48.093 22.056 1.00 0.00 H ATOM 437 HB3 PHE A1030 5.074 47.930 20.538 1.00 0.00 H ATOM 438 HD1 PHE A1030 8.051 49.464 22.218 1.00 0.00 H ATOM 439 HD2 PHE A1030 6.213 48.368 18.485 1.00 0.00 H ATOM 440 HE1 PHE A1030 10.209 49.806 21.050 1.00 0.00 H ATOM 441 HE2 PHE A1030 8.369 48.740 17.312 1.00 0.00 H ATOM 442 HZ PHE A1030 10.373 49.437 18.601 1.00 0.00 H ATOM 443 N VAL A1031 5.993 50.798 23.394 1.00 10.44 N ATOM 444 CA VAL A1031 6.653 51.837 24.190 1.00 10.90 C ATOM 445 C VAL A1031 7.956 51.304 24.784 1.00 9.76 C ATOM 446 O VAL A1031 7.953 50.229 25.384 1.00 11.43 O ATOM 447 CB VAL A1031 5.710 52.342 25.302 1.00 11.05 C ATOM 448 CG1 VAL A1031 6.385 53.385 26.196 1.00 11.14 C ATOM 449 CG2 VAL A1031 4.434 52.983 24.741 1.00 12.13 C ATOM 450 H VAL A1031 5.810 49.912 23.860 1.00 0.00 H ATOM 451 HA VAL A1031 6.894 52.681 23.548 1.00 0.00 H ATOM 452 HB VAL A1031 5.419 51.497 25.929 1.00 0.00 H ATOM 453 HG11 VAL A1031 5.679 53.740 26.944 1.00 0.00 H ATOM 454 HG12 VAL A1031 6.739 54.222 25.592 1.00 0.00 H ATOM 455 HG13 VAL A1031 7.229 52.941 26.719 1.00 0.00 H ATOM 456 HG21 VAL A1031 3.883 52.265 24.136 1.00 0.00 H ATOM 457 HG22 VAL A1031 3.789 53.305 25.557 1.00 0.00 H ATOM 458 HG23 VAL A1031 4.694 53.846 24.128 1.00 0.00 H ATOM 459 N LEU A1032 8.995 52.144 24.805 1.00 9.87 N ATOM 460 CA LEU A1032 10.160 52.037 25.688 1.00 10.41 C ATOM 461 C LEU A1032 10.275 53.320 26.530 1.00 10.30 C ATOM 462 O LEU A1032 10.554 54.399 26.010 1.00 8.70 O ATOM 463 CB LEU A1032 11.440 51.774 24.864 1.00 12.04 C ATOM 464 CG LEU A1032 11.433 50.494 24.004 1.00 13.82 C ATOM 465 CD1 LEU A1032 12.713 50.411 23.171 1.00 15.65 C ATOM 466 CD2 LEU A1032 11.344 49.228 24.857 1.00 14.86 C ATOM 467 H LEU A1032 8.885 53.024 24.306 1.00 0.00 H ATOM 468 HA LEU A1032 10.021 51.205 26.378 1.00 0.00 H ATOM 469 HB2 LEU A1032 11.603 52.625 24.204 1.00 0.00 H ATOM 470 HB3 LEU A1032 12.287 51.729 25.550 1.00 0.00 H ATOM 471 HG LEU A1032 10.585 50.518 23.321 1.00 0.00 H ATOM 472 HD21 LEU A1032 11.393 48.351 24.215 1.00 0.00 H ATOM 473 HD22 LEU A1032 12.162 49.202 25.577 1.00 0.00 H ATOM 474 HD23 LEU A1032 10.393 49.211 25.382 1.00 0.00 H ATOM 475 HD11 LEU A1032 12.691 49.522 22.541 1.00 0.00 H ATOM 476 HD12 LEU A1032 13.587 50.369 23.822 1.00 0.00 H ATOM 477 HD13 LEU A1032 12.794 51.288 22.528 1.00 0.00 H ATOM 478 N ASN A1033 9.967 53.221 27.823 1.00 10.82 N ATOM 479 CA ASN A1033 10.151 54.294 28.803 1.00 11.53 C ATOM 480 C ASN A1033 11.561 54.216 29.410 1.00 11.55 C ATOM 481 O ASN A1033 11.936 53.144 29.888 1.00 13.10 O ATOM 482 CB ASN A1033 9.092 54.164 29.915 1.00 11.87 C ATOM 483 CG ASN A1033 7.662 54.078 29.418 1.00 13.97 C ATOM 484 OD1 ASN A1033 7.023 55.068 29.094 1.00 14.30 O ATOM 485 ND2 ASN A1033 7.084 52.901 29.420 1.00 11.74 N ATOM 486 H ASN A1033 9.730 52.305 28.183 1.00 0.00 H ATOM 487 HA ASN A1033 10.036 55.263 28.314 1.00 0.00 H ATOM 488 HB2 ASN A1033 9.312 53.285 30.518 1.00 0.00 H ATOM 489 HB3 ASN A1033 9.159 55.024 30.571 1.00 0.00 H ATOM 490 HD21 ASN A1033 6.152 52.841 29.060 1.00 0.00 H ATOM 491 HD22 ASN A1033 7.662 52.077 29.546 1.00 0.00 H ATOM 492 N LEU A1034 12.227 55.361 29.587 1.00 10.50 N ATOM 493 CA LEU A1034 13.540 55.515 30.223 1.00 11.60 C ATOM 494 C LEU A1034 13.597 56.754 31.122 1.00 12.52 C ATOM 495 O LEU A1034 13.237 57.856 30.699 1.00 11.38 O ATOM 496 CB LEU A1034 14.642 55.647 29.154 1.00 12.25 C ATOM 497 CG LEU A1034 14.805 54.450 28.211 1.00 13.38 C ATOM 498 CD1 LEU A1034 15.899 54.765 27.194 1.00 16.14 C ATOM 499 CD2 LEU A1034 15.205 53.186 28.965 1.00 16.15 C ATOM 500 H LEU A1034 11.868 56.185 29.114 1.00 0.00 H ATOM 501 HA LEU A1034 13.744 54.646 30.845 1.00 0.00 H ATOM 502 HB2 LEU A1034 14.427 56.530 28.549 1.00 0.00 H ATOM 503 HB3 LEU A1034 15.593 55.821 29.659 1.00 0.00 H ATOM 504 HG LEU A1034 13.874 54.268 27.674 1.00 0.00 H ATOM 505 HD21 LEU A1034 14.471 52.948 29.727 1.00 0.00 H ATOM 506 HD22 LEU A1034 16.177 53.322 29.440 1.00 0.00 H ATOM 507 HD23 LEU A1034 15.239 52.356 28.265 1.00 0.00 H ATOM 508 HD11 LEU A1034 16.033 53.917 26.527 1.00 0.00 H ATOM 509 HD12 LEU A1034 16.843 54.970 27.700 1.00 0.00 H ATOM 510 HD13 LEU A1034 15.609 55.636 26.608 1.00 0.00 H ATOM 511 N GLY A1035 14.260 56.633 32.271 1.00 12.83 N ATOM 512 CA GLY A1035 14.604 57.781 33.111 1.00 13.95 C ATOM 513 C GLY A1035 14.964 57.411 34.543 1.00 15.67 C ATOM 514 O GLY A1035 15.780 56.522 34.772 1.00 15.54 O ATOM 515 H GLY A1035 14.593 55.712 32.546 1.00 0.00 H ATOM 516 HA2 GLY A1035 15.463 58.294 32.681 1.00 0.00 H ATOM 517 HA3 GLY A1035 13.767 58.476 33.132 1.00 0.00 H ATOM 518 N LYS A1036 14.462 58.205 35.488 1.00 17.82 N ATOM 519 CA LYS A1036 14.699 58.087 36.936 1.00 19.60 C ATOM 520 C LYS A1036 13.726 57.090 37.583 1.00 19.78 C ATOM 521 O LYS A1036 14.156 56.217 38.330 1.00 20.31 O ATOM 522 CB LYS A1036 14.548 59.511 37.498 1.00 21.53 C ATOM 523 CG LYS A1036 14.749 59.720 39.008 1.00 24.79 C ATOM 524 CD LYS A1036 14.091 61.029 39.501 1.00 28.55 C ATOM 525 CE LYS A1036 14.480 62.287 38.706 1.00 30.73 C ATOM 526 NZ LYS A1036 13.596 63.443 39.025 1.00 33.72 N ATOM 527 H LYS A1036 13.788 58.905 35.184 1.00 0.00 H ATOM 528 HA LYS A1036 15.710 57.726 37.127 1.00 0.00 H ATOM 529 HB2 LYS A1036 15.260 60.152 36.979 1.00 0.00 H ATOM 530 HB3 LYS A1036 13.553 59.850 37.239 1.00 0.00 H ATOM 531 HG2 LYS A1036 15.818 59.739 39.227 1.00 0.00 H ATOM 532 HG3 LYS A1036 14.301 58.892 39.558 1.00 0.00 H ATOM 533 HD2 LYS A1036 13.011 60.908 39.438 1.00 0.00 H ATOM 534 HD3 LYS A1036 14.344 61.171 40.553 1.00 0.00 H ATOM 535 HE2 LYS A1036 14.408 62.067 37.638 1.00 0.00 H ATOM 536 HE3 LYS A1036 15.525 62.528 38.925 1.00 0.00 H ATOM 537 HZ1 LYS A1036 13.872 64.272 38.515 1.00 0.00 H ATOM 538 HZ2 LYS A1036 12.623 63.267 38.763 1.00 0.00 H ATOM 539 HZ3 LYS A1036 13.604 63.650 40.012 1.00 0.00 H ATOM 540 N ASP A1037 12.471 57.110 37.133 1.00 19.40 N ATOM 541 CA ASP A1037 11.353 56.274 37.588 1.00 20.78 C ATOM 542 C ASP A1037 10.210 56.316 36.542 1.00 20.11 C ATOM 543 O ASP A1037 10.382 56.859 35.452 1.00 20.61 O ATOM 544 CB ASP A1037 10.890 56.770 38.974 1.00 21.70 C ATOM 545 CG ASP A1037 10.524 58.255 38.985 1.00 24.02 C ATOM 546 OD1 ASP A1037 9.572 58.612 38.261 1.00 20.97 O ATOM 547 OD2 ASP A1037 11.361 59.070 39.417 1.00 25.89 O ATOM 548 H ASP A1037 12.234 57.813 36.448 1.00 0.00 H ATOM 549 HA ASP A1037 11.685 55.241 37.686 1.00 0.00 H ATOM 550 HB2 ASP A1037 11.687 56.591 39.697 1.00 0.00 H ATOM 551 HB3 ASP A1037 10.027 56.187 39.302 1.00 0.00 H ATOM 552 N SER A1038 9.031 55.761 36.852 1.00 20.39 N ATOM 553 CA SER A1038 7.858 55.727 35.954 1.00 20.01 C ATOM 554 C SER A1038 7.266 57.099 35.592 1.00 20.52 C ATOM 555 O SER A1038 6.379 57.183 34.732 1.00 20.79 O ATOM 556 CB SER A1038 6.758 54.886 36.611 1.00 21.59 C ATOM 557 OG SER A1038 6.384 55.410 37.876 1.00 22.92 O ATOM 558 H SER A1038 8.898 55.412 37.789 1.00 0.00 H ATOM 559 HA SER A1038 8.150 55.246 35.022 1.00 0.00 H ATOM 560 HB2 SER A1038 7.129 53.870 36.751 1.00 0.00 H ATOM 561 HB3 SER A1038 5.885 54.845 35.959 1.00 0.00 H ATOM 562 HG SER A1038 5.917 56.260 37.771 1.00 0.00 H ATOM 563 N ASN A1039 7.615 58.143 36.340 1.00 19.63 N ATOM 564 CA ASN A1039 7.024 59.477 36.283 1.00 20.66 C ATOM 565 C ASN A1039 8.016 60.488 35.695 1.00 18.10 C ATOM 566 O ASN A1039 7.649 61.247 34.803 1.00 18.38 O ATOM 567 CB ASN A1039 6.571 59.873 37.701 1.00 23.17 C ATOM 568 CG ASN A1039 5.594 58.920 38.365 1.00 26.37 C ATOM 569 OD1 ASN A1039 5.108 57.946 37.797 1.00 29.19 O ATOM 570 ND2 ASN A1039 5.201 59.242 39.573 1.00 29.39 N ATOM 571 H ASN A1039 8.344 58.005 37.040 1.00 0.00 H ATOM 572 HA ASN A1039 6.149 59.472 35.637 1.00 0.00 H ATOM 573 HB2 ASN A1039 7.441 59.971 38.351 1.00 0.00 H ATOM 574 HB3 ASN A1039 6.098 60.847 37.671 1.00 0.00 H ATOM 575 HD21 ASN A1039 5.581 60.072 40.009 1.00 0.00 H ATOM 576 HD22 ASN A1039 4.543 58.645 40.033 1.00 0.00 H ATOM 577 N ASN A1040 9.285 60.368 36.075 1.00 17.39 N ATOM 578 CA ASN A1040 10.422 61.162 35.627 1.00 16.14 C ATOM 579 C ASN A1040 11.165 60.472 34.462 1.00 15.13 C ATOM 580 O ASN A1040 12.234 59.876 34.649 1.00 14.23 O ATOM 581 CB ASN A1040 11.306 61.381 36.860 1.00 17.27 C ATOM 582 CG ASN A1040 10.642 62.254 37.907 1.00 19.53 C ATOM 583 OD1 ASN A1040 10.946 63.434 37.969 1.00 18.57 O ATOM 584 ND2 ASN A1040 10.094 61.672 38.945 1.00 20.09 N ATOM 585 H ASN A1040 9.469 59.695 36.818 1.00 0.00 H ATOM 586 HA ASN A1040 10.076 62.137 35.276 1.00 0.00 H ATOM 587 HB2 ASN A1040 11.519 60.412 37.301 1.00 0.00 H ATOM 588 HB3 ASN A1040 12.239 61.850 36.554 1.00 0.00 H ATOM 589 HD21 ASN A1040 10.101 60.653 39.014 1.00 0.00 H ATOM 590 HD22 ASN A1040 9.511 62.226 39.579 1.00 0.00 H ATOM 591 N LEU A1041 10.572 60.507 33.264 1.00 12.93 N ATOM 592 CA LEU A1041 11.156 59.967 32.032 1.00 12.96 C ATOM 593 C LEU A1041 11.924 61.037 31.246 1.00 12.48 C ATOM 594 O LEU A1041 11.332 61.961 30.688 1.00 12.23 O ATOM 595 CB LEU A1041 10.093 59.304 31.138 1.00 12.89 C ATOM 596 CG LEU A1041 9.237 58.228 31.826 1.00 13.31 C ATOM 597 CD1 LEU A1041 8.180 57.724 30.843 1.00 12.12 C ATOM 598 CD2 LEU A1041 10.084 57.039 32.274 1.00 13.45 C ATOM 599 H LEU A1041 9.785 61.144 33.176 1.00 0.00 H ATOM 600 HA LEU A1041 11.868 59.193 32.310 1.00 0.00 H ATOM 601 HB2 LEU A1041 10.604 58.847 30.289 1.00 0.00 H ATOM 602 HB3 LEU A1041 9.442 60.077 30.735 1.00 0.00 H ATOM 603 HG LEU A1041 8.725 58.649 32.691 1.00 0.00 H ATOM 604 HD21 LEU A1041 9.448 56.290 32.741 1.00 0.00 H ATOM 605 HD22 LEU A1041 10.812 57.367 33.015 1.00 0.00 H ATOM 606 HD23 LEU A1041 10.614 56.614 31.427 1.00 0.00 H ATOM 607 HD11 LEU A1041 7.552 56.976 31.327 1.00 0.00 H ATOM 608 HD12 LEU A1041 8.664 57.283 29.971 1.00 0.00 H ATOM 609 HD13 LEU A1041 7.559 58.554 30.514 1.00 0.00 H ATOM 610 N CYS A1042 13.202 60.760 30.992 1.00 10.98 N ATOM 611 CA CYS A1042 14.010 61.486 30.010 1.00 12.43 C ATOM 612 C CYS A1042 13.659 61.112 28.557 1.00 13.14 C ATOM 613 O CYS A1042 13.686 61.989 27.698 1.00 12.42 O ATOM 614 CB CYS A1042 15.491 61.260 30.340 1.00 14.04 C ATOM 615 SG CYS A1042 15.959 59.511 30.155 1.00 13.88 S ATOM 616 H CYS A1042 13.559 59.885 31.342 1.00 0.00 H ATOM 617 HA CYS A1042 13.807 62.552 30.107 1.00 0.00 H ATOM 618 HB2 CYS A1042 15.689 61.595 31.358 1.00 0.00 H ATOM 619 HB3 CYS A1042 16.104 61.868 29.671 1.00 0.00 H ATOM 620 HG CYS A1042 14.931 58.941 30.793 1.00 0.00 H ATOM 621 N LEU A1043 13.145 59.894 28.324 1.00 11.04 N ATOM 622 CA LEU A1043 12.570 59.473 27.045 1.00 10.56 C ATOM 623 C LEU A1043 11.447 58.445 27.241 1.00 11.48 C ATOM 624 O LEU A1043 11.659 57.336 27.723 1.00 10.79 O ATOM 625 CB LEU A1043 13.689 58.938 26.131 1.00 11.79 C ATOM 626 CG LEU A1043 13.236 58.356 24.779 1.00 11.20 C ATOM 627 CD1 LEU A1043 12.521 59.388 23.903 1.00 14.23 C ATOM 628 CD2 LEU A1043 14.455 57.848 24.006 1.00 11.47 C ATOM 629 H LEU A1043 13.141 59.223 29.083 1.00 0.00 H ATOM 630 HA LEU A1043 12.142 60.354 26.563 1.00 0.00 H ATOM 631 HB2 LEU A1043 14.384 59.751 25.933 1.00 0.00 H ATOM 632 HB3 LEU A1043 14.218 58.157 26.677 1.00 0.00 H ATOM 633 HG LEU A1043 12.568 57.513 24.951 1.00 0.00 H ATOM 634 HD11 LEU A1043 12.254 58.936 22.948 1.00 0.00 H ATOM 635 HD12 LEU A1043 13.177 60.239 23.723 1.00 0.00 H ATOM 636 HD13 LEU A1043 11.610 59.736 24.384 1.00 0.00 H ATOM 637 HD21 LEU A1043 14.143 57.425 23.052 1.00 0.00 H ATOM 638 HD22 LEU A1043 14.959 57.073 24.581 1.00 0.00 H ATOM 639 HD23 LEU A1043 15.149 58.667 23.817 1.00 0.00 H ATOM 640 N HIS A1044 10.278 58.771 26.714 1.00 9.49 N ATOM 641 CA HIS A1044 9.195 57.872 26.349 1.00 10.56 C ATOM 642 C HIS A1044 9.210 57.712 24.823 1.00 10.26 C ATOM 643 O HIS A1044 8.766 58.609 24.106 1.00 11.18 O ATOM 644 CB HIS A1044 7.894 58.499 26.865 1.00 10.38 C ATOM 645 CG HIS A1044 6.638 57.809 26.411 1.00 11.33 C ATOM 646 ND1 HIS A1044 6.061 56.699 26.980 1.00 12.35 N ATOM 647 CD2 HIS A1044 5.866 58.162 25.337 1.00 11.47 C ATOM 648 CE1 HIS A1044 4.949 56.411 26.284 1.00 13.45 C ATOM 649 NE2 HIS A1044 4.786 57.276 25.274 1.00 13.95 N ATOM 650 H HIS A1044 10.194 59.721 26.371 1.00 0.00 H ATOM 651 HA HIS A1044 9.329 56.892 26.808 1.00 0.00 H ATOM 652 HB2 HIS A1044 7.840 59.538 26.536 1.00 0.00 H ATOM 653 HB3 HIS A1044 7.920 58.499 27.954 1.00 0.00 H ATOM 654 HD2 HIS A1044 6.061 58.983 24.659 1.00 0.00 H ATOM 655 HE1 HIS A1044 4.282 55.586 26.493 1.00 0.00 H ATOM 656 HD1 HIS A1044 6.428 56.165 27.768 1.00 0.00 H ATOM 657 N PHE A1045 9.891 56.676 24.334 1.00 10.01 N ATOM 658 CA PHE A1045 9.960 56.317 22.916 1.00 10.50 C ATOM 659 C PHE A1045 8.753 55.447 22.544 1.00 11.21 C ATOM 660 O PHE A1045 8.511 54.431 23.197 1.00 9.15 O ATOM 661 CB PHE A1045 11.285 55.578 22.681 1.00 9.73 C ATOM 662 CG PHE A1045 11.458 54.962 21.306 1.00 8.08 C ATOM 663 CD1 PHE A1045 11.913 55.755 20.238 1.00 8.58 C ATOM 664 CD2 PHE A1045 11.199 53.593 21.100 1.00 6.99 C ATOM 665 CE1 PHE A1045 12.111 55.183 18.970 1.00 9.53 C ATOM 666 CE2 PHE A1045 11.403 53.019 19.833 1.00 8.73 C ATOM 667 CZ PHE A1045 11.858 53.817 18.768 1.00 8.52 C ATOM 668 H PHE A1045 10.257 55.994 24.992 1.00 0.00 H ATOM 669 HA PHE A1045 9.947 57.218 22.299 1.00 0.00 H ATOM 670 HB2 PHE A1045 12.103 56.276 22.848 1.00 0.00 H ATOM 671 HB3 PHE A1045 11.384 54.787 23.424 1.00 0.00 H ATOM 672 HD1 PHE A1045 12.117 56.805 20.394 1.00 0.00 H ATOM 673 HD2 PHE A1045 10.839 52.982 21.915 1.00 0.00 H ATOM 674 HE1 PHE A1045 12.462 55.794 18.151 1.00 0.00 H ATOM 675 HE2 PHE A1045 11.203 51.970 19.673 1.00 0.00 H ATOM 676 HZ PHE A1045 12.013 53.386 17.792 1.00 0.00 H ATOM 677 N ASN A1046 7.992 55.822 21.514 1.00 9.89 N ATOM 678 CA ASN A1046 6.704 55.200 21.202 1.00 10.13 C ATOM 679 C ASN A1046 6.429 55.128 19.681 1.00 9.79 C ATOM 680 O ASN A1046 5.763 56.003 19.125 1.00 9.57 O ATOM 681 CB ASN A1046 5.621 55.973 21.989 1.00 10.53 C ATOM 682 CG ASN A1046 4.191 55.492 21.798 1.00 11.18 C ATOM 683 OD1 ASN A1046 3.244 56.236 22.002 1.00 12.66 O ATOM 684 ND2 ASN A1046 3.952 54.263 21.402 1.00 11.42 N ATOM 685 H ASN A1046 8.187 56.717 21.071 1.00 0.00 H ATOM 686 HA ASN A1046 6.717 54.178 21.573 1.00 0.00 H ATOM 687 HB2 ASN A1046 5.659 57.025 21.708 1.00 0.00 H ATOM 688 HB3 ASN A1046 5.847 55.899 23.052 1.00 0.00 H ATOM 689 HD21 ASN A1046 2.993 53.970 21.285 1.00 0.00 H ATOM 690 HD22 ASN A1046 4.701 53.588 21.294 1.00 0.00 H ATOM 691 N PRO A1047 6.808 54.019 19.018 1.00 10.80 N ATOM 692 CA PRO A1047 6.332 53.681 17.677 1.00 11.20 C ATOM 693 C PRO A1047 4.829 53.354 17.669 1.00 13.08 C ATOM 694 O PRO A1047 4.386 52.358 18.252 1.00 11.47 O ATOM 695 CB PRO A1047 7.208 52.508 17.210 1.00 13.21 C ATOM 696 CG PRO A1047 8.485 52.700 18.025 1.00 10.48 C ATOM 697 CD PRO A1047 7.927 53.161 19.368 1.00 9.24 C ATOM 698 HA PRO A1047 6.517 54.530 17.020 1.00 0.00 H ATOM 699 HB2 PRO A1047 6.752 51.552 17.475 1.00 0.00 H ATOM 700 HB3 PRO A1047 7.410 52.549 16.140 1.00 0.00 H ATOM 701 HG2 PRO A1047 9.091 53.492 17.584 1.00 0.00 H ATOM 702 HG3 PRO A1047 9.059 51.780 18.109 1.00 0.00 H ATOM 703 HD2 PRO A1047 7.577 52.300 19.938 1.00 0.00 H ATOM 704 HD3 PRO A1047 8.691 53.701 19.926 1.00 0.00 H ATOM 705 N ARG A1048 4.047 54.181 16.965 1.00 11.58 N ATOM 706 CA ARG A1048 2.598 54.040 16.757 1.00 12.62 C ATOM 707 C ARG A1048 2.331 53.571 15.325 1.00 13.03 C ATOM 708 O ARG A1048 2.468 54.337 14.376 1.00 12.39 O ATOM 709 CB ARG A1048 1.902 55.385 17.056 1.00 11.88 C ATOM 710 CG ARG A1048 2.085 55.829 18.518 1.00 11.64 C ATOM 711 CD ARG A1048 1.412 57.178 18.797 1.00 12.19 C ATOM 712 NE ARG A1048 1.735 57.651 20.157 1.00 11.54 N ATOM 713 CZ ARG A1048 1.523 58.850 20.665 1.00 12.34 C ATOM 714 NH1 ARG A1048 0.874 59.772 20.037 1.00 12.23 N ATOM 715 NH2 ARG A1048 1.959 59.158 21.847 1.00 12.94 N ATOM 716 H ARG A1048 4.490 54.986 16.525 1.00 0.00 H ATOM 717 HA ARG A1048 2.196 53.291 17.439 1.00 0.00 H ATOM 718 HB2 ARG A1048 0.836 55.286 16.845 1.00 0.00 H ATOM 719 HB3 ARG A1048 2.309 56.155 16.398 1.00 0.00 H ATOM 720 HG2 ARG A1048 1.668 55.072 19.184 1.00 0.00 H ATOM 721 HG3 ARG A1048 3.148 55.932 18.732 1.00 0.00 H ATOM 722 HD2 ARG A1048 0.332 57.083 18.677 1.00 0.00 H ATOM 723 HD3 ARG A1048 1.777 57.900 18.066 1.00 0.00 H ATOM 724 HE ARG A1048 2.293 57.037 20.738 1.00 0.00 H ATOM 725 HH11 ARG A1048 0.614 59.654 19.056 1.00 0.00 H ATOM 726 HH12 ARG A1048 0.717 60.655 20.497 1.00 0.00 H ATOM 727 HH21 ARG A1048 1.919 60.137 22.150 1.00 0.00 H ATOM 728 HH22 ARG A1048 2.431 58.463 22.400 1.00 0.00 H ATOM 729 N PHE A1049 1.950 52.306 15.173 1.00 13.07 N ATOM 730 CA PHE A1049 1.490 51.717 13.907 1.00 14.03 C ATOM 731 C PHE A1049 0.080 52.216 13.556 1.00 14.59 C ATOM 732 O PHE A1049 -0.186 52.575 12.414 1.00 15.03 O ATOM 733 CB PHE A1049 1.471 50.182 14.016 1.00 13.54 C ATOM 734 CG PHE A1049 2.770 49.533 14.457 1.00 13.51 C ATOM 735 CD1 PHE A1049 3.132 49.536 15.816 1.00 15.22 C ATOM 736 CD2 PHE A1049 3.623 48.932 13.514 1.00 14.98 C ATOM 737 CE1 PHE A1049 4.356 48.993 16.226 1.00 14.88 C ATOM 738 CE2 PHE A1049 4.848 48.373 13.926 1.00 13.97 C ATOM 739 CZ PHE A1049 5.221 48.415 15.281 1.00 15.72 C ATOM 740 H PHE A1049 1.799 51.769 16.013 1.00 0.00 H ATOM 741 HA PHE A1049 2.167 52.001 13.100 1.00 0.00 H ATOM 742 HB2 PHE A1049 1.184 49.773 13.046 1.00 0.00 H ATOM 743 HB3 PHE A1049 0.697 49.893 14.722 1.00 0.00 H ATOM 744 HD1 PHE A1049 2.483 49.978 16.551 1.00 0.00 H ATOM 745 HD2 PHE A1049 3.351 48.928 12.468 1.00 0.00 H ATOM 746 HE1 PHE A1049 4.625 49.035 17.268 1.00 0.00 H ATOM 747 HE2 PHE A1049 5.512 47.939 13.194 1.00 0.00 H ATOM 748 HZ PHE A1049 6.170 48.007 15.598 1.00 0.00 H ATOM 749 N ASN A1050 -0.786 52.316 14.571 1.00 17.33 N ATOM 750 CA ASN A1050 -2.124 52.906 14.533 1.00 17.60 C ATOM 751 C ASN A1050 -2.594 53.148 15.983 1.00 18.26 C ATOM 752 O ASN A1050 -3.017 52.204 16.655 1.00 16.44 O ATOM 753 CB ASN A1050 -3.059 51.940 13.776 1.00 20.29 C ATOM 754 CG ASN A1050 -4.509 52.394 13.725 1.00 22.72 C ATOM 755 OD1 ASN A1050 -4.911 53.433 14.215 1.00 24.48 O ATOM 756 ND2 ASN A1050 -5.358 51.622 13.089 1.00 25.53 N ATOM 757 H ASN A1050 -0.461 52.006 15.480 1.00 0.00 H ATOM 758 HA ASN A1050 -2.098 53.860 14.004 1.00 0.00 H ATOM 759 HB2 ASN A1050 -2.709 51.840 12.749 1.00 0.00 H ATOM 760 HB3 ASN A1050 -3.023 50.959 14.247 1.00 0.00 H ATOM 761 HD21 ASN A1050 -5.033 50.802 12.616 1.00 0.00 H ATOM 762 HD22 ASN A1050 -6.294 51.976 13.020 1.00 0.00 H ATOM 763 N ALA A1051 -2.392 54.360 16.510 1.00 18.69 N ATOM 764 CA ALA A1051 -2.776 54.730 17.876 1.00 20.20 C ATOM 765 C ALA A1051 -2.964 56.248 18.036 1.00 21.29 C ATOM 766 O ALA A1051 -2.168 57.034 17.533 1.00 20.80 O ATOM 767 CB ALA A1051 -1.724 54.209 18.864 1.00 20.57 C ATOM 768 H ALA A1051 -2.036 55.096 15.901 1.00 0.00 H ATOM 769 HA ALA A1051 -3.728 54.247 18.105 1.00 0.00 H ATOM 770 HB1 ALA A1051 -2.012 54.470 19.883 1.00 0.00 H ATOM 771 HB2 ALA A1051 -0.755 54.654 18.641 1.00 0.00 H ATOM 772 HB3 ALA A1051 -1.649 53.124 18.785 1.00 0.00 H ATOM 773 N HIS A1052 -3.976 56.662 18.811 1.00 22.54 N ATOM 774 CA HIS A1052 -4.312 58.060 19.173 1.00 23.76 C ATOM 775 C HIS A1052 -4.635 59.029 18.017 1.00 23.94 C ATOM 776 O HIS A1052 -5.209 60.085 18.266 1.00 25.75 O ATOM 777 CB HIS A1052 -3.237 58.643 20.110 1.00 26.19 C ATOM 778 CG HIS A1052 -2.895 57.733 21.262 1.00 27.49 C ATOM 779 ND1 HIS A1052 -3.776 57.329 22.267 1.00 29.23 N ATOM 780 CD2 HIS A1052 -1.693 57.121 21.458 1.00 28.08 C ATOM 781 CE1 HIS A1052 -3.076 56.504 23.058 1.00 29.16 C ATOM 782 NE2 HIS A1052 -1.823 56.352 22.593 1.00 29.78 N ATOM 783 H HIS A1052 -4.535 55.945 19.247 1.00 0.00 H ATOM 784 HA HIS A1052 -5.228 58.024 19.763 1.00 0.00 H ATOM 785 HB2 HIS A1052 -3.592 59.591 20.514 1.00 0.00 H ATOM 786 HB3 HIS A1052 -2.331 58.846 19.538 1.00 0.00 H ATOM 787 HD2 HIS A1052 -0.822 57.226 20.830 1.00 0.00 H ATOM 788 HE1 HIS A1052 -3.472 56.028 23.945 1.00 0.00 H ATOM 789 HE2 HIS A1052 -1.098 55.790 23.015 1.00 0.00 H ATOM 790 N GLY A1053 -4.392 58.633 16.766 1.00 22.68 N ATOM 791 CA GLY A1053 -4.498 59.464 15.562 1.00 22.10 C ATOM 792 C GLY A1053 -3.239 59.404 14.687 1.00 20.65 C ATOM 793 O GLY A1053 -3.329 59.604 13.479 1.00 21.63 O ATOM 794 H GLY A1053 -3.883 57.766 16.663 1.00 0.00 H ATOM 795 HA2 GLY A1053 -5.346 59.130 14.965 1.00 0.00 H ATOM 796 HA3 GLY A1053 -4.656 60.506 15.843 1.00 0.00 H ATOM 797 N ASP A1054 -2.117 58.952 15.253 1.00 18.01 N ATOM 798 CA ASP A1054 -0.917 58.558 14.516 1.00 16.54 C ATOM 799 C ASP A1054 -1.076 57.188 13.841 1.00 15.84 C ATOM 800 O ASP A1054 -1.599 56.243 14.440 1.00 16.05 O ATOM 801 CB ASP A1054 0.284 58.523 15.467 1.00 17.11 C ATOM 802 CG ASP A1054 0.514 59.867 16.147 1.00 18.56 C ATOM 803 OD1 ASP A1054 1.130 60.746 15.513 1.00 18.14 O ATOM 804 OD2 ASP A1054 0.395 59.934 17.390 1.00 19.63 O ATOM 805 H ASP A1054 -2.138 58.704 16.233 1.00 0.00 H ATOM 806 HA ASP A1054 -0.717 59.305 13.745 1.00 0.00 H ATOM 807 HB2 ASP A1054 1.175 58.249 14.905 1.00 0.00 H ATOM 808 HB3 ASP A1054 0.119 57.754 16.222 1.00 0.00 H ATOM 809 N ALA A1055 -0.415 57.026 12.694 1.00 14.06 N ATOM 810 CA ALA A1055 -0.200 55.742 12.034 1.00 14.14 C ATOM 811 C ALA A1055 1.196 55.693 11.395 1.00 12.58 C ATOM 812 O ALA A1055 1.698 56.725 10.949 1.00 11.54 O ATOM 813 CB ALA A1055 -1.318 55.499 11.013 1.00 14.08 C ATOM 814 H ALA A1055 0.072 57.820 12.302 1.00 0.00 H ATOM 815 HA ALA A1055 -0.246 54.962 12.791 1.00 0.00 H ATOM 816 HB1 ALA A1055 -1.179 54.525 10.543 1.00 0.00 H ATOM 817 HB2 ALA A1055 -1.295 56.276 10.247 1.00 0.00 H ATOM 818 HB3 ALA A1055 -2.286 55.516 11.516 1.00 0.00 H ATOM 819 N ASN A1056 1.850 54.527 11.466 1.00 12.82 N ATOM 820 CA ASN A1056 3.261 54.286 11.119 1.00 10.88 C ATOM 821 C ASN A1056 4.193 55.487 11.406 1.00 11.68 C ATOM 822 O ASN A1056 4.868 56.000 10.517 1.00 9.94 O ATOM 823 CB ASN A1056 3.358 53.706 9.692 1.00 11.42 C ATOM 824 CG ASN A1056 3.224 52.192 9.671 1.00 11.38 C ATOM 825 OD1 ASN A1056 2.571 51.569 10.492 1.00 11.95 O ATOM 826 ND2 ASN A1056 3.954 51.530 8.805 1.00 12.06 N ATOM 827 H ASN A1056 1.327 53.736 11.820 1.00 0.00 H ATOM 828 HA ASN A1056 3.616 53.513 11.802 1.00 0.00 H ATOM 829 HB2 ASN A1056 4.324 53.965 9.260 1.00 0.00 H ATOM 830 HB3 ASN A1056 2.585 54.137 9.058 1.00 0.00 H ATOM 831 HD21 ASN A1056 3.965 50.533 8.910 1.00 0.00 H ATOM 832 HD22 ASN A1056 4.598 52.023 8.215 1.00 0.00 H ATOM 833 N THR A1057 4.162 55.980 12.647 1.00 11.61 N ATOM 834 CA THR A1057 4.873 57.187 13.101 1.00 10.50 C ATOM 835 C THR A1057 5.591 56.912 14.423 1.00 10.72 C ATOM 836 O THR A1057 5.008 56.331 15.340 1.00 10.05 O ATOM 837 CB THR A1057 3.877 58.349 13.246 1.00 11.29 C ATOM 838 OG1 THR A1057 3.398 58.735 11.979 1.00 11.77 O ATOM 839 CG2 THR A1057 4.464 59.608 13.888 1.00 13.22 C ATOM 840 H THR A1057 3.571 55.505 13.322 1.00 0.00 H ATOM 841 HA THR A1057 5.619 57.479 12.360 1.00 0.00 H ATOM 842 HB THR A1057 3.038 58.014 13.851 1.00 0.00 H ATOM 843 HG1 THR A1057 2.963 57.973 11.563 1.00 0.00 H ATOM 844 HG21 THR A1057 3.719 60.402 13.857 1.00 0.00 H ATOM 845 HG22 THR A1057 5.355 59.926 13.345 1.00 0.00 H ATOM 846 HG23 THR A1057 4.715 59.419 14.931 1.00 0.00 H ATOM 847 N ILE A1058 6.864 57.302 14.542 1.00 9.36 N ATOM 848 CA ILE A1058 7.566 57.299 15.834 1.00 8.27 C ATOM 849 C ILE A1058 7.235 58.598 16.568 1.00 9.22 C ATOM 850 O ILE A1058 7.486 59.684 16.046 1.00 9.06 O ATOM 851 CB ILE A1058 9.092 57.118 15.677 1.00 9.70 C ATOM 852 CG1 ILE A1058 9.429 55.820 14.912 1.00 9.34 C ATOM 853 CG2 ILE A1058 9.777 57.108 17.061 1.00 9.88 C ATOM 854 CD1 ILE A1058 10.919 55.666 14.595 1.00 8.19 C ATOM 855 H ILE A1058 7.293 57.808 13.777 1.00 0.00 H ATOM 856 HA ILE A1058 7.203 56.471 16.438 1.00 0.00 H ATOM 857 HB ILE A1058 9.475 57.961 15.102 1.00 0.00 H ATOM 858 HG12 ILE A1058 9.087 54.954 15.480 1.00 0.00 H ATOM 859 HG13 ILE A1058 8.910 55.827 13.957 1.00 0.00 H ATOM 860 HG21 ILE A1058 10.859 57.106 16.942 1.00 0.00 H ATOM 861 HG22 ILE A1058 9.470 56.234 17.636 1.00 0.00 H ATOM 862 HG23 ILE A1058 9.535 58.008 17.627 1.00 0.00 H ATOM 863 HD11 ILE A1058 11.051 54.818 13.926 1.00 0.00 H ATOM 864 HD12 ILE A1058 11.289 56.565 14.101 1.00 0.00 H ATOM 865 HD13 ILE A1058 11.488 55.486 15.505 1.00 0.00 H ATOM 866 N VAL A1059 6.744 58.477 17.801 1.00 8.68 N ATOM 867 CA VAL A1059 6.545 59.592 18.731 1.00 10.34 C ATOM 868 C VAL A1059 7.555 59.483 19.873 1.00 8.86 C ATOM 869 O VAL A1059 7.707 58.405 20.452 1.00 9.65 O ATOM 870 CB VAL A1059 5.098 59.606 19.262 1.00 10.34 C ATOM 871 CG1 VAL A1059 4.839 60.829 20.146 1.00 12.01 C ATOM 872 CG2 VAL A1059 4.078 59.620 18.116 1.00 10.76 C ATOM 873 H VAL A1059 6.543 57.549 18.156 1.00 0.00 H ATOM 874 HA VAL A1059 6.722 60.535 18.213 1.00 0.00 H ATOM 875 HB VAL A1059 4.922 58.710 19.859 1.00 0.00 H ATOM 876 HG11 VAL A1059 3.793 60.843 20.440 1.00 0.00 H ATOM 877 HG12 VAL A1059 5.445 60.784 21.050 1.00 0.00 H ATOM 878 HG13 VAL A1059 5.067 61.743 19.597 1.00 0.00 H ATOM 879 HG21 VAL A1059 4.115 58.683 17.562 1.00 0.00 H ATOM 880 HG22 VAL A1059 4.285 60.443 17.441 1.00 0.00 H ATOM 881 HG23 VAL A1059 3.073 59.751 18.505 1.00 0.00 H ATOM 882 N CYS A1060 8.145 60.602 20.289 1.00 10.83 N ATOM 883 CA CYS A1060 9.017 60.680 21.464 1.00 10.34 C ATOM 884 C CYS A1060 8.565 61.795 22.413 1.00 11.68 C ATOM 885 O CYS A1060 8.185 62.880 21.976 1.00 12.58 O ATOM 886 CB CYS A1060 10.479 60.861 21.036 1.00 12.54 C ATOM 887 SG CYS A1060 11.031 59.445 20.052 1.00 13.50 S ATOM 888 H CYS A1060 7.974 61.459 19.770 1.00 0.00 H ATOM 889 HA CYS A1060 8.956 59.742 22.011 1.00 0.00 H ATOM 890 HB2 CYS A1060 11.112 60.955 21.919 1.00 0.00 H ATOM 891 HB3 CYS A1060 10.578 61.764 20.431 1.00 0.00 H ATOM 892 HG CYS A1060 10.970 60.124 18.885 1.00 0.00 H ATOM 893 N ASN A1061 8.670 61.585 23.726 1.00 11.62 N ATOM 894 CA ASN A1061 8.383 62.629 24.714 1.00 11.03 C ATOM 895 C ASN A1061 9.223 62.487 25.991 1.00 11.57 C ATOM 896 O ASN A1061 9.732 61.414 26.289 1.00 11.26 O ATOM 897 CB ASN A1061 6.873 62.645 25.027 1.00 12.06 C ATOM 898 CG ASN A1061 6.373 64.024 25.423 1.00 11.56 C ATOM 899 OD1 ASN A1061 7.130 64.963 25.649 1.00 11.63 O ATOM 900 ND2 ASN A1061 5.079 64.187 25.504 1.00 12.46 N ATOM 901 H ASN A1061 8.971 60.673 24.052 1.00 0.00 H ATOM 902 HA ASN A1061 8.651 63.589 24.269 1.00 0.00 H ATOM 903 HB2 ASN A1061 6.654 61.953 25.840 1.00 0.00 H ATOM 904 HB3 ASN A1061 6.311 62.323 24.151 1.00 0.00 H ATOM 905 HD21 ASN A1061 4.452 63.428 25.275 1.00 0.00 H ATOM 906 HD22 ASN A1061 4.733 65.119 25.705 1.00 0.00 H ATOM 907 N SER A1062 9.267 63.540 26.802 1.00 12.07 N ATOM 908 CA SER A1062 9.657 63.472 28.211 1.00 12.40 C ATOM 909 C SER A1062 8.422 63.298 29.095 1.00 13.93 C ATOM 910 O SER A1062 7.292 63.583 28.681 1.00 13.36 O ATOM 911 CB SER A1062 10.432 64.731 28.606 1.00 13.47 C ATOM 912 OG SER A1062 9.637 65.904 28.469 1.00 12.90 O ATOM 913 H SER A1062 8.691 64.332 26.542 1.00 0.00 H ATOM 914 HA SER A1062 10.315 62.616 28.369 1.00 0.00 H ATOM 915 HB2 SER A1062 11.314 64.803 27.971 1.00 0.00 H ATOM 916 HB3 SER A1062 10.768 64.642 29.640 1.00 0.00 H ATOM 917 HG SER A1062 9.283 66.110 29.349 1.00 0.00 H ATOM 918 N LYS A1063 8.659 62.969 30.363 1.00 14.14 N ATOM 919 CA LYS A1063 7.648 62.935 31.418 1.00 16.91 C ATOM 920 C LYS A1063 8.277 63.458 32.713 1.00 17.01 C ATOM 921 O LYS A1063 9.376 63.028 33.046 1.00 16.23 O ATOM 922 CB LYS A1063 7.131 61.496 31.534 1.00 16.51 C ATOM 923 CG LYS A1063 5.754 61.369 32.190 1.00 18.84 C ATOM 924 CD LYS A1063 5.496 59.878 32.450 1.00 20.68 C ATOM 925 CE LYS A1063 4.132 59.633 33.090 1.00 20.10 C ATOM 926 NZ LYS A1063 4.061 58.265 33.657 1.00 23.68 N ATOM 927 H LYS A1063 9.622 62.777 30.639 1.00 0.00 H ATOM 928 HA LYS A1063 6.830 63.588 31.134 1.00 0.00 H ATOM 929 HB2 LYS A1063 7.061 61.059 30.536 1.00 0.00 H ATOM 930 HB3 LYS A1063 7.854 60.921 32.110 1.00 0.00 H ATOM 931 HG2 LYS A1063 4.988 61.777 31.529 1.00 0.00 H ATOM 932 HG3 LYS A1063 5.745 61.916 33.130 1.00 0.00 H ATOM 933 HD2 LYS A1063 5.547 59.330 31.509 1.00 0.00 H ATOM 934 HD3 LYS A1063 6.278 59.507 33.114 1.00 0.00 H ATOM 935 HE2 LYS A1063 3.981 60.366 33.881 1.00 0.00 H ATOM 936 HE3 LYS A1063 3.350 59.799 32.343 1.00 0.00 H ATOM 937 HZ1 LYS A1063 3.243 58.152 34.238 1.00 0.00 H ATOM 938 HZ2 LYS A1063 4.066 57.574 32.922 1.00 0.00 H ATOM 939 HZ3 LYS A1063 4.885 58.072 34.229 1.00 0.00 H ATOM 940 N ASP A1064 7.664 64.446 33.353 1.00 20.17 N ATOM 941 CA ASP A1064 8.297 65.283 34.385 1.00 21.53 C ATOM 942 C ASP A1064 7.401 65.368 35.629 1.00 22.07 C ATOM 943 O ASP A1064 6.212 65.666 35.510 1.00 20.69 O ATOM 944 CB ASP A1064 8.624 66.667 33.789 1.00 24.25 C ATOM 945 CG ASP A1064 10.106 67.020 33.931 1.00 26.29 C ATOM 946 OD1 ASP A1064 10.676 66.690 34.995 1.00 26.93 O ATOM 947 OD2 ASP A1064 10.680 67.465 32.910 1.00 27.91 O ATOM 948 H ASP A1064 6.772 64.766 32.994 1.00 0.00 H ATOM 949 HA ASP A1064 9.233 64.812 34.688 1.00 0.00 H ATOM 950 HB2 ASP A1064 8.357 66.690 32.730 1.00 0.00 H ATOM 951 HB3 ASP A1064 8.033 67.435 34.292 1.00 0.00 H ATOM 952 N ASP A1065 7.872 64.679 36.674 1.00 22.65 N ATOM 953 CA ASP A1065 7.109 64.070 37.782 1.00 24.13 C ATOM 954 C ASP A1065 5.727 63.482 37.419 1.00 23.87 C ATOM 955 O ASP A1065 4.818 63.371 38.240 1.00 24.68 O ATOM 956 CB ASP A1065 7.103 64.940 39.053 1.00 27.28 C ATOM 957 CG ASP A1065 7.179 64.089 40.337 1.00 30.35 C ATOM 958 OD1 ASP A1065 7.767 62.975 40.276 1.00 30.78 O ATOM 959 OD2 ASP A1065 6.879 64.653 41.412 1.00 32.95 O ATOM 960 H ASP A1065 8.873 64.539 36.700 1.00 0.00 H ATOM 961 HA ASP A1065 7.699 63.186 38.010 1.00 0.00 H ATOM 962 HB2 ASP A1065 7.961 65.614 39.037 1.00 0.00 H ATOM 963 HB3 ASP A1065 6.200 65.556 39.066 1.00 0.00 H ATOM 964 N GLY A1066 5.605 62.961 36.196 1.00 21.11 N ATOM 965 CA GLY A1066 4.422 62.267 35.694 1.00 20.27 C ATOM 966 C GLY A1066 3.607 63.035 34.647 1.00 19.05 C ATOM 967 O GLY A1066 2.885 62.389 33.884 1.00 18.88 O ATOM 968 H GLY A1066 6.399 63.070 35.577 1.00 0.00 H ATOM 969 HA2 GLY A1066 3.754 62.035 36.522 1.00 0.00 H ATOM 970 HA3 GLY A1066 4.757 61.332 35.261 1.00 0.00 H ATOM 971 N ALA A1067 3.810 64.346 34.495 1.00 19.36 N ATOM 972 CA ALA A1067 3.225 65.142 33.414 1.00 19.56 C ATOM 973 C ALA A1067 3.973 64.921 32.087 1.00 18.57 C ATOM 974 O ALA A1067 5.199 64.924 32.061 1.00 19.01 O ATOM 975 CB ALA A1067 3.248 66.619 33.826 1.00 20.11 C ATOM 976 H ALA A1067 4.517 64.796 35.075 1.00 0.00 H ATOM 977 HA ALA A1067 2.186 64.841 33.279 1.00 0.00 H ATOM 978 HB1 ALA A1067 2.789 67.229 33.048 1.00 0.00 H ATOM 979 HB2 ALA A1067 2.700 66.754 34.760 1.00 0.00 H ATOM 980 HB3 ALA A1067 4.279 66.948 33.970 1.00 0.00 H ATOM 981 N TRP A1068 3.260 64.777 30.966 1.00 17.67 N ATOM 982 CA TRP A1068 3.884 64.700 29.636 1.00 17.25 C ATOM 983 C TRP A1068 4.433 66.060 29.179 1.00 17.18 C ATOM 984 O TRP A1068 3.765 67.082 29.334 1.00 18.40 O ATOM 985 CB TRP A1068 2.882 64.153 28.611 1.00 16.76 C ATOM 986 CG TRP A1068 2.372 62.769 28.880 1.00 16.73 C ATOM 987 CD1 TRP A1068 1.088 62.435 29.131 1.00 17.48 C ATOM 988 CD2 TRP A1068 3.119 61.511 28.888 1.00 15.41 C ATOM 989 NE1 TRP A1068 0.986 61.068 29.312 1.00 17.47 N ATOM 990 CE2 TRP A1068 2.208 60.449 29.173 1.00 17.08 C ATOM 991 CE3 TRP A1068 4.468 61.162 28.676 1.00 15.91 C ATOM 992 CZ2 TRP A1068 2.617 59.105 29.244 1.00 16.52 C ATOM 993 CZ3 TRP A1068 4.888 59.819 28.745 1.00 15.80 C ATOM 994 CH2 TRP A1068 3.967 58.794 29.023 1.00 14.82 C ATOM 995 H TRP A1068 2.258 64.840 31.015 1.00 0.00 H ATOM 996 HA TRP A1068 4.726 64.008 29.688 1.00 0.00 H ATOM 997 HB2 TRP A1068 3.360 64.143 27.633 1.00 0.00 H ATOM 998 HB3 TRP A1068 2.035 64.838 28.549 1.00 0.00 H ATOM 999 HD1 TRP A1068 0.267 63.143 29.172 1.00 0.00 H ATOM 1000 HE3 TRP A1068 5.186 61.939 28.449 1.00 0.00 H ATOM 1001 HZ2 TRP A1068 1.895 58.327 29.437 1.00 0.00 H ATOM 1002 HZ3 TRP A1068 5.925 59.579 28.568 1.00 0.00 H ATOM 1003 HH2 TRP A1068 4.304 57.765 29.045 1.00 0.00 H ATOM 1004 HE1 TRP A1068 0.113 60.604 29.514 1.00 0.00 H ATOM 1005 N GLY A1069 5.588 66.054 28.506 1.00 16.40 N ATOM 1006 CA GLY A1069 6.136 67.232 27.824 1.00 16.45 C ATOM 1007 C GLY A1069 5.535 67.478 26.432 1.00 14.38 C ATOM 1008 O GLY A1069 4.534 66.879 26.038 1.00 15.32 O ATOM 1009 H GLY A1069 6.076 65.172 28.397 1.00 0.00 H ATOM 1010 HA2 GLY A1069 5.966 68.120 28.434 1.00 0.00 H ATOM 1011 HA3 GLY A1069 7.211 67.098 27.717 1.00 0.00 H ATOM 1012 N THR A1070 6.229 68.272 25.613 1.00 15.91 N ATOM 1013 CA THR A1070 5.936 68.411 24.174 1.00 15.00 C ATOM 1014 C THR A1070 6.369 67.158 23.405 1.00 13.80 C ATOM 1015 O THR A1070 7.557 66.825 23.408 1.00 14.15 O ATOM 1016 CB THR A1070 6.664 69.637 23.597 1.00 14.99 C ATOM 1017 OG1 THR A1070 6.410 70.774 24.389 1.00 18.16 O ATOM 1018 CG2 THR A1070 6.241 69.973 22.169 1.00 15.21 C ATOM 1019 H THR A1070 7.022 68.776 25.979 1.00 0.00 H ATOM 1020 HA THR A1070 4.863 68.549 24.042 1.00 0.00 H ATOM 1021 HB THR A1070 7.739 69.453 23.611 1.00 0.00 H ATOM 1022 HG21 THR A1070 6.748 70.883 21.845 1.00 0.00 H ATOM 1023 HG22 THR A1070 6.525 69.165 21.494 1.00 0.00 H ATOM 1024 HG23 THR A1070 5.163 70.122 22.117 1.00 0.00 H ATOM 1025 HG1 THR A1070 5.486 71.014 24.282 1.00 0.00 H ATOM 1026 N GLU A1071 5.462 66.526 22.658 1.00 13.00 N ATOM 1027 CA GLU A1071 5.804 65.408 21.765 1.00 12.33 C ATOM 1028 C GLU A1071 6.690 65.854 20.587 1.00 12.85 C ATOM 1029 O GLU A1071 6.339 66.766 19.840 1.00 11.73 O ATOM 1030 CB GLU A1071 4.534 64.727 21.226 1.00 12.06 C ATOM 1031 CG GLU A1071 3.814 63.858 22.271 1.00 14.75 C ATOM 1032 CD GLU A1071 2.654 63.042 21.674 1.00 13.75 C ATOM 1033 OE1 GLU A1071 2.087 63.456 20.637 1.00 13.13 O ATOM 1034 OE2 GLU A1071 2.317 61.971 22.229 1.00 17.21 O ATOM 1035 H GLU A1071 4.505 66.839 22.669 1.00 0.00 H ATOM 1036 HA GLU A1071 6.362 64.667 22.340 1.00 0.00 H ATOM 1037 HB2 GLU A1071 3.847 65.492 20.858 1.00 0.00 H ATOM 1038 HB3 GLU A1071 4.819 64.090 20.389 1.00 0.00 H ATOM 1039 HG2 GLU A1071 4.545 63.173 22.704 1.00 0.00 H ATOM 1040 HG3 GLU A1071 3.431 64.501 23.066 1.00 0.00 H ATOM 1041 N GLN A1072 7.784 65.127 20.367 1.00 10.68 N ATOM 1042 CA GLN A1072 8.547 65.074 19.120 1.00 10.90 C ATOM 1043 C GLN A1072 8.018 63.928 18.234 1.00 9.98 C ATOM 1044 O GLN A1072 7.404 62.982 18.739 1.00 11.63 O ATOM 1045 CB GLN A1072 10.032 64.907 19.489 1.00 10.53 C ATOM 1046 CG GLN A1072 11.022 65.002 18.317 1.00 10.25 C ATOM 1047 CD GLN A1072 12.475 64.967 18.797 1.00 11.24 C ATOM 1048 OE1 GLN A1072 12.859 65.669 19.726 1.00 12.24 O ATOM 1049 NE2 GLN A1072 13.331 64.190 18.178 1.00 11.20 N ATOM 1050 H GLN A1072 7.933 64.339 20.987 1.00 0.00 H ATOM 1051 HA GLN A1072 8.424 66.013 18.579 1.00 0.00 H ATOM 1052 HB2 GLN A1072 10.285 65.684 20.213 1.00 0.00 H ATOM 1053 HB3 GLN A1072 10.165 63.940 19.972 1.00 0.00 H ATOM 1054 HG2 GLN A1072 10.865 65.935 17.778 1.00 0.00 H ATOM 1055 HG3 GLN A1072 10.851 64.181 17.624 1.00 0.00 H ATOM 1056 HE21 GLN A1072 12.989 63.535 17.459 1.00 0.00 H ATOM 1057 HE22 GLN A1072 14.289 64.178 18.497 1.00 0.00 H ATOM 1058 N ARG A1073 8.204 64.035 16.913 1.00 8.93 N ATOM 1059 CA ARG A1073 7.890 62.986 15.931 1.00 9.10 C ATOM 1060 C ARG A1073 9.024 62.858 14.927 1.00 9.98 C ATOM 1061 O ARG A1073 9.473 63.865 14.383 1.00 9.48 O ATOM 1062 CB ARG A1073 6.556 63.266 15.217 1.00 10.51 C ATOM 1063 CG ARG A1073 5.376 62.795 16.067 1.00 12.31 C ATOM 1064 CD ARG A1073 4.027 63.206 15.465 1.00 13.89 C ATOM 1065 NE ARG A1073 2.897 62.687 16.254 1.00 13.41 N ATOM 1066 CZ ARG A1073 2.527 63.021 17.474 1.00 14.87 C ATOM 1067 NH1 ARG A1073 3.105 63.961 18.159 1.00 15.40 N ATOM 1068 NH2 ARG A1073 1.577 62.396 18.090 1.00 16.05 N ATOM 1069 H ARG A1073 8.771 64.800 16.575 1.00 0.00 H ATOM 1070 HA ARG A1073 7.826 62.028 16.448 1.00 0.00 H ATOM 1071 HB2 ARG A1073 6.470 64.333 15.002 1.00 0.00 H ATOM 1072 HB3 ARG A1073 6.530 62.719 14.272 1.00 0.00 H ATOM 1073 HG2 ARG A1073 5.426 61.710 16.131 1.00 0.00 H ATOM 1074 HG3 ARG A1073 5.459 63.214 17.067 1.00 0.00 H ATOM 1075 HD2 ARG A1073 3.957 62.806 14.451 1.00 0.00 H ATOM 1076 HD3 ARG A1073 3.967 64.294 15.408 1.00 0.00 H ATOM 1077 HE ARG A1073 2.327 61.949 15.831 1.00 0.00 H ATOM 1078 HH11 ARG A1073 3.920 64.415 17.804 1.00 0.00 H ATOM 1079 HH12 ARG A1073 2.807 64.041 19.132 1.00 0.00 H ATOM 1080 HH21 ARG A1073 1.137 61.585 17.644 1.00 0.00 H ATOM 1081 HH22 ARG A1073 1.441 62.614 19.074 1.00 0.00 H ATOM 1082 N GLU A1074 9.425 61.624 14.649 1.00 8.83 N ATOM 1083 CA GLU A1074 10.596 61.321 13.820 1.00 8.48 C ATOM 1084 C GLU A1074 10.175 60.938 12.392 1.00 9.32 C ATOM 1085 O GLU A1074 9.147 60.297 12.181 1.00 9.93 O ATOM 1086 CB GLU A1074 11.480 60.234 14.461 1.00 8.87 C ATOM 1087 CG GLU A1074 11.452 60.155 15.999 1.00 9.41 C ATOM 1088 CD GLU A1074 11.674 61.484 16.743 1.00 10.83 C ATOM 1089 OE1 GLU A1074 12.414 62.364 16.245 1.00 14.37 O ATOM 1090 OE2 GLU A1074 11.059 61.648 17.822 1.00 10.56 O ATOM 1091 H GLU A1074 8.943 60.855 15.100 1.00 0.00 H ATOM 1092 HA GLU A1074 11.212 62.220 13.754 1.00 0.00 H ATOM 1093 HB2 GLU A1074 12.510 60.411 14.146 1.00 0.00 H ATOM 1094 HB3 GLU A1074 11.189 59.260 14.065 1.00 0.00 H ATOM 1095 HG2 GLU A1074 12.201 59.430 16.311 1.00 0.00 H ATOM 1096 HG3 GLU A1074 10.482 59.755 16.296 1.00 0.00 H ATOM 1097 N ALA A1075 10.981 61.308 11.392 1.00 9.00 N ATOM 1098 CA ALA A1075 10.592 61.280 9.975 1.00 9.18 C ATOM 1099 C ALA A1075 10.606 59.887 9.293 1.00 9.77 C ATOM 1100 O ALA A1075 10.636 59.815 8.063 1.00 10.58 O ATOM 1101 CB ALA A1075 11.467 62.303 9.235 1.00 10.09 C ATOM 1102 H ALA A1075 11.836 61.787 11.627 1.00 0.00 H ATOM 1103 HA ALA A1075 9.559 61.626 9.916 1.00 0.00 H ATOM 1104 HB1 ALA A1075 11.126 62.400 8.204 1.00 0.00 H ATOM 1105 HB2 ALA A1075 12.505 61.971 9.238 1.00 0.00 H ATOM 1106 HB3 ALA A1075 11.392 63.277 9.720 1.00 0.00 H ATOM 1107 N VAL A1076 10.664 58.790 10.056 1.00 9.85 N ATOM 1108 CA VAL A1076 10.809 57.409 9.553 1.00 8.84 C ATOM 1109 C VAL A1076 10.035 56.408 10.418 1.00 7.57 C ATOM 1110 O VAL A1076 9.764 56.666 11.590 1.00 8.59 O ATOM 1111 CB VAL A1076 12.290 56.977 9.451 1.00 9.48 C ATOM 1112 CG1 VAL A1076 13.089 57.820 8.452 1.00 11.66 C ATOM 1113 CG2 VAL A1076 13.017 56.987 10.800 1.00 9.66 C ATOM 1114 H VAL A1076 10.509 58.907 11.050 1.00 0.00 H ATOM 1115 HA VAL A1076 10.381 57.361 8.552 1.00 0.00 H ATOM 1116 HB VAL A1076 12.307 55.954 9.075 1.00 0.00 H ATOM 1117 HG21 VAL A1076 14.023 56.589 10.666 1.00 0.00 H ATOM 1118 HG22 VAL A1076 12.497 56.362 11.523 1.00 0.00 H ATOM 1119 HG23 VAL A1076 13.083 58.004 11.188 1.00 0.00 H ATOM 1120 HG11 VAL A1076 12.573 57.843 7.492 1.00 0.00 H ATOM 1121 HG12 VAL A1076 13.206 58.838 8.822 1.00 0.00 H ATOM 1122 HG13 VAL A1076 14.075 57.376 8.313 1.00 0.00 H ATOM 1123 N PHE A1077 9.776 55.210 9.879 1.00 8.24 N ATOM 1124 CA PHE A1077 9.146 54.110 10.621 1.00 8.61 C ATOM 1125 C PHE A1077 9.672 52.716 10.203 1.00 9.38 C ATOM 1126 O PHE A1077 8.948 51.942 9.576 1.00 9.14 O ATOM 1127 CB PHE A1077 7.621 54.245 10.517 1.00 8.91 C ATOM 1128 CG PHE A1077 6.867 53.443 11.560 1.00 8.97 C ATOM 1129 CD1 PHE A1077 6.325 52.182 11.259 1.00 9.59 C ATOM 1130 CD2 PHE A1077 6.683 53.987 12.841 1.00 8.70 C ATOM 1131 CE1 PHE A1077 5.588 51.485 12.230 1.00 11.49 C ATOM 1132 CE2 PHE A1077 5.937 53.297 13.809 1.00 9.67 C ATOM 1133 CZ PHE A1077 5.391 52.039 13.506 1.00 9.90 C ATOM 1134 H PHE A1077 10.046 55.044 8.922 1.00 0.00 H ATOM 1135 HA PHE A1077 9.395 54.228 11.677 1.00 0.00 H ATOM 1136 HB2 PHE A1077 7.359 55.294 10.656 1.00 0.00 H ATOM 1137 HB3 PHE A1077 7.288 53.962 9.518 1.00 0.00 H ATOM 1138 HD1 PHE A1077 6.472 51.744 10.282 1.00 0.00 H ATOM 1139 HD2 PHE A1077 7.086 54.962 13.062 1.00 0.00 H ATOM 1140 HE1 PHE A1077 5.175 50.519 11.983 1.00 0.00 H ATOM 1141 HE2 PHE A1077 5.769 53.744 14.775 1.00 0.00 H ATOM 1142 HZ PHE A1077 4.821 51.501 14.250 1.00 0.00 H ATOM 1143 N PRO A1078 10.932 52.373 10.530 1.00 11.27 N ATOM 1144 CA PRO A1078 11.537 51.051 10.295 1.00 11.80 C ATOM 1145 C PRO A1078 11.022 49.964 11.268 1.00 13.39 C ATOM 1146 O PRO A1078 11.799 49.249 11.906 1.00 13.12 O ATOM 1147 CB PRO A1078 13.048 51.302 10.391 1.00 10.73 C ATOM 1148 CG PRO A1078 13.124 52.403 11.445 1.00 12.06 C ATOM 1149 CD PRO A1078 11.927 53.273 11.099 1.00 12.17 C ATOM 1150 HA PRO A1078 11.303 50.718 9.284 1.00 0.00 H ATOM 1151 HB2 PRO A1078 13.624 50.420 10.672 1.00 0.00 H ATOM 1152 HB3 PRO A1078 13.405 51.689 9.436 1.00 0.00 H ATOM 1153 HG2 PRO A1078 12.977 51.982 12.438 1.00 0.00 H ATOM 1154 HG3 PRO A1078 14.052 52.967 11.385 1.00 0.00 H ATOM 1155 HD2 PRO A1078 12.227 54.004 10.348 1.00 0.00 H ATOM 1156 HD3 PRO A1078 11.558 53.775 11.991 1.00 0.00 H ATOM 1157 N PHE A1079 9.701 49.884 11.457 1.00 13.54 N ATOM 1158 CA PHE A1079 9.045 48.891 12.309 1.00 15.01 C ATOM 1159 C PHE A1079 7.900 48.200 11.565 1.00 17.06 C ATOM 1160 O PHE A1079 7.026 48.839 10.985 1.00 16.73 O ATOM 1161 CB PHE A1079 8.561 49.526 13.620 1.00 14.14 C ATOM 1162 CG PHE A1079 9.668 50.068 14.502 1.00 11.98 C ATOM 1163 CD1 PHE A1079 9.884 51.456 14.598 1.00 11.65 C ATOM 1164 CD2 PHE A1079 10.491 49.180 15.221 1.00 12.42 C ATOM 1165 CE1 PHE A1079 10.923 51.949 15.407 1.00 13.33 C ATOM 1166 CE2 PHE A1079 11.530 49.675 16.028 1.00 11.78 C ATOM 1167 CZ PHE A1079 11.747 51.059 16.116 1.00 11.97 C ATOM 1168 H PHE A1079 9.112 50.448 10.854 1.00 0.00 H ATOM 1169 HA PHE A1079 9.772 48.121 12.567 1.00 0.00 H ATOM 1170 HB2 PHE A1079 8.018 48.771 14.189 1.00 0.00 H ATOM 1171 HB3 PHE A1079 7.859 50.327 13.388 1.00 0.00 H ATOM 1172 HD1 PHE A1079 9.260 52.142 14.041 1.00 0.00 H ATOM 1173 HD2 PHE A1079 10.338 48.114 15.138 1.00 0.00 H ATOM 1174 HE1 PHE A1079 11.094 53.012 15.474 1.00 0.00 H ATOM 1175 HE2 PHE A1079 12.173 48.995 16.567 1.00 0.00 H ATOM 1176 HZ PHE A1079 12.558 51.437 16.720 1.00 0.00 H ATOM 1177 N GLN A1080 7.843 46.873 11.682 1.00 19.18 N ATOM 1178 CA GLN A1080 6.910 46.024 10.940 1.00 22.03 C ATOM 1179 C GLN A1080 6.226 45.037 11.901 1.00 22.54 C ATOM 1180 O GLN A1080 6.939 44.354 12.646 1.00 21.85 O ATOM 1181 CB GLN A1080 7.630 45.262 9.806 1.00 23.29 C ATOM 1182 CG GLN A1080 8.537 46.096 8.880 1.00 26.69 C ATOM 1183 CD GLN A1080 9.866 46.593 9.464 1.00 28.46 C ATOM 1184 OE1 GLN A1080 10.340 47.652 9.103 1.00 29.34 O ATOM 1185 NE2 GLN A1080 10.473 45.959 10.448 1.00 29.31 N ATOM 1186 H GLN A1080 8.598 46.414 12.171 1.00 0.00 H ATOM 1187 HA GLN A1080 6.158 46.653 10.470 1.00 0.00 H ATOM 1188 HB2 GLN A1080 6.854 44.818 9.181 1.00 0.00 H ATOM 1189 HB3 GLN A1080 8.205 44.435 10.212 1.00 0.00 H ATOM 1190 HG2 GLN A1080 7.972 46.958 8.520 1.00 0.00 H ATOM 1191 HG3 GLN A1080 8.784 45.478 8.017 1.00 0.00 H ATOM 1192 HE21 GLN A1080 10.136 45.093 10.845 1.00 0.00 H ATOM 1193 HE22 GLN A1080 11.323 46.398 10.771 1.00 0.00 H ATOM 1194 N PRO A1081 4.892 44.863 11.842 1.00 23.61 N ATOM 1195 CA PRO A1081 4.198 43.828 12.604 1.00 23.27 C ATOM 1196 C PRO A1081 4.773 42.426 12.350 1.00 23.34 C ATOM 1197 O PRO A1081 5.134 42.085 11.225 1.00 22.86 O ATOM 1198 CB PRO A1081 2.721 43.946 12.216 1.00 24.72 C ATOM 1199 CG PRO A1081 2.583 45.416 11.828 1.00 25.00 C ATOM 1200 CD PRO A1081 3.924 45.708 11.157 1.00 24.58 C ATOM 1201 HA PRO A1081 4.294 44.069 13.660 1.00 0.00 H ATOM 1202 HB2 PRO A1081 2.064 43.694 13.046 1.00 0.00 H ATOM 1203 HB3 PRO A1081 2.506 43.318 11.349 1.00 0.00 H ATOM 1204 HG2 PRO A1081 1.745 45.583 11.151 1.00 0.00 H ATOM 1205 HG3 PRO A1081 2.480 46.028 12.726 1.00 0.00 H ATOM 1206 HD2 PRO A1081 4.164 46.767 11.263 1.00 0.00 H ATOM 1207 HD3 PRO A1081 3.880 45.430 10.103 1.00 0.00 H ATOM 1208 N GLY A1082 4.982 41.657 13.420 1.00 23.72 N ATOM 1209 CA GLY A1082 5.566 40.310 13.382 1.00 23.77 C ATOM 1210 C GLY A1082 7.091 40.236 13.209 1.00 24.60 C ATOM 1211 O GLY A1082 7.640 39.137 13.255 1.00 25.76 O ATOM 1212 H GLY A1082 4.678 42.009 14.320 1.00 0.00 H ATOM 1213 HA2 GLY A1082 5.312 39.792 14.306 1.00 0.00 H ATOM 1214 HA3 GLY A1082 5.117 39.760 12.555 1.00 0.00 H ATOM 1215 N SER A1083 7.787 41.355 12.972 1.00 23.58 N ATOM 1216 CA SER A1083 9.246 41.364 12.759 1.00 23.09 C ATOM 1217 C SER A1083 10.056 41.429 14.062 1.00 21.67 C ATOM 1218 O SER A1083 9.595 41.945 15.081 1.00 20.64 O ATOM 1219 CB SER A1083 9.655 42.480 11.789 1.00 25.10 C ATOM 1220 OG SER A1083 9.507 43.775 12.339 1.00 29.60 O ATOM 1221 H SER A1083 7.285 42.232 12.952 1.00 0.00 H ATOM 1222 HA SER A1083 9.513 40.425 12.273 1.00 0.00 H ATOM 1223 HB2 SER A1083 9.054 42.397 10.883 1.00 0.00 H ATOM 1224 HB3 SER A1083 10.703 42.341 11.516 1.00 0.00 H ATOM 1225 HG SER A1083 8.570 43.896 12.592 1.00 0.00 H ATOM 1226 N VAL A1084 11.312 40.970 14.012 1.00 20.34 N ATOM 1227 CA VAL A1084 12.330 41.320 15.018 1.00 19.72 C ATOM 1228 C VAL A1084 12.842 42.735 14.738 1.00 18.58 C ATOM 1229 O VAL A1084 13.178 43.044 13.597 1.00 18.82 O ATOM 1230 CB VAL A1084 13.500 40.312 15.028 1.00 20.30 C ATOM 1231 CG1 VAL A1084 14.595 40.686 16.039 1.00 20.30 C ATOM 1232 CG2 VAL A1084 13.023 38.899 15.387 1.00 21.81 C ATOM 1233 H VAL A1084 11.648 40.625 13.128 1.00 0.00 H ATOM 1234 HA VAL A1084 11.868 41.309 16.003 1.00 0.00 H ATOM 1235 HB VAL A1084 13.946 40.277 14.033 1.00 0.00 H ATOM 1236 HG11 VAL A1084 15.352 39.903 16.074 1.00 0.00 H ATOM 1237 HG12 VAL A1084 14.159 40.815 17.031 1.00 0.00 H ATOM 1238 HG13 VAL A1084 15.085 41.612 15.737 1.00 0.00 H ATOM 1239 HG21 VAL A1084 13.852 38.197 15.310 1.00 0.00 H ATOM 1240 HG22 VAL A1084 12.644 38.886 16.406 1.00 0.00 H ATOM 1241 HG23 VAL A1084 12.235 38.575 14.708 1.00 0.00 H ATOM 1242 N ALA A1085 13.053 43.527 15.789 1.00 17.40 N ATOM 1243 CA ALA A1085 13.651 44.860 15.726 1.00 16.69 C ATOM 1244 C ALA A1085 14.615 45.097 16.905 1.00 16.29 C ATOM 1245 O ALA A1085 14.452 44.507 17.976 1.00 16.25 O ATOM 1246 CB ALA A1085 12.515 45.891 15.676 1.00 16.05 C ATOM 1247 H ALA A1085 12.777 43.188 16.704 1.00 0.00 H ATOM 1248 HA ALA A1085 14.231 44.951 14.806 1.00 0.00 H ATOM 1249 HB1 ALA A1085 12.928 46.896 15.650 1.00 0.00 H ATOM 1250 HB2 ALA A1085 11.914 45.732 14.779 1.00 0.00 H ATOM 1251 HB3 ALA A1085 11.877 45.793 16.554 1.00 0.00 H ATOM 1252 N GLU A1086 15.583 46.002 16.733 1.00 15.89 N ATOM 1253 CA GLU A1086 16.510 46.461 17.777 1.00 14.35 C ATOM 1254 C GLU A1086 16.624 47.991 17.771 1.00 14.65 C ATOM 1255 O GLU A1086 16.613 48.615 16.713 1.00 13.27 O ATOM 1256 CB GLU A1086 17.880 45.768 17.635 1.00 15.54 C ATOM 1257 CG GLU A1086 18.924 46.162 18.707 1.00 18.41 C ATOM 1258 CD GLU A1086 20.231 45.361 18.576 1.00 21.35 C ATOM 1259 OE1 GLU A1086 20.110 44.126 18.397 1.00 22.73 O ATOM 1260 OE2 GLU A1086 21.314 45.864 18.963 1.00 23.51 O ATOM 1261 H GLU A1086 15.639 46.494 15.852 1.00 0.00 H ATOM 1262 HA GLU A1086 16.101 46.179 18.740 1.00 0.00 H ATOM 1263 HB2 GLU A1086 18.283 45.991 16.647 1.00 0.00 H ATOM 1264 HB3 GLU A1086 17.713 44.694 17.685 1.00 0.00 H ATOM 1265 HG2 GLU A1086 19.141 47.226 18.637 1.00 0.00 H ATOM 1266 HG3 GLU A1086 18.496 45.972 19.693 1.00 0.00 H ATOM 1267 N VAL A1087 16.720 48.589 18.958 1.00 14.31 N ATOM 1268 CA VAL A1087 16.866 50.035 19.171 1.00 15.16 C ATOM 1269 C VAL A1087 18.019 50.276 20.146 1.00 15.05 C ATOM 1270 O VAL A1087 18.165 49.534 21.121 1.00 14.63 O ATOM 1271 CB VAL A1087 15.549 50.667 19.671 1.00 15.84 C ATOM 1272 CG1 VAL A1087 15.654 52.194 19.748 1.00 19.60 C ATOM 1273 CG2 VAL A1087 14.361 50.340 18.755 1.00 17.53 C ATOM 1274 H VAL A1087 16.708 48.005 19.788 1.00 0.00 H ATOM 1275 HA VAL A1087 17.126 50.509 18.223 1.00 0.00 H ATOM 1276 HB VAL A1087 15.326 50.284 20.668 1.00 0.00 H ATOM 1277 HG21 VAL A1087 14.152 49.271 18.778 1.00 0.00 H ATOM 1278 HG22 VAL A1087 14.597 50.636 17.732 1.00 0.00 H ATOM 1279 HG23 VAL A1087 13.472 50.870 19.095 1.00 0.00 H ATOM 1280 HG11 VAL A1087 16.441 52.484 20.439 1.00 0.00 H ATOM 1281 HG12 VAL A1087 14.714 52.618 20.103 1.00 0.00 H ATOM 1282 HG13 VAL A1087 15.881 52.601 18.762 1.00 0.00 H ATOM 1283 N CYS A1088 18.921 51.261 19.819 1.00 14.20 N ATOM 1284 CA CYS A1088 20.212 51.445 20.498 1.00 14.71 C ATOM 1285 C CYS A1088 20.309 52.911 20.915 1.00 15.16 C ATOM 1286 O CYS A1088 20.450 53.820 20.114 1.00 15.18 O ATOM 1287 CB CYS A1088 21.384 51.054 19.581 1.00 18.15 C ATOM 1288 SG CYS A1088 21.278 49.289 19.085 1.00 22.95 S ATOM 1289 H CYS A1088 18.742 51.793 18.972 1.00 0.00 H ATOM 1290 HA CYS A1088 20.255 50.827 21.404 1.00 0.00 H ATOM 1291 HB2 CYS A1088 21.355 51.669 18.675 1.00 0.00 H ATOM 1292 HB3 CYS A1088 22.341 51.227 20.089 1.00 0.00 H ATOM 1293 N ILE A1089 20.038 53.141 22.245 1.00 14.17 N ATOM 1294 CA ILE A1089 19.778 54.426 22.887 1.00 13.72 C ATOM 1295 C ILE A1089 21.020 54.863 23.675 1.00 14.45 C ATOM 1296 O ILE A1089 21.212 54.473 24.826 1.00 13.02 O ATOM 1297 CB ILE A1089 18.481 54.363 23.729 1.00 14.32 C ATOM 1298 CG1 ILE A1089 17.293 53.872 22.861 1.00 15.75 C ATOM 1299 CG2 ILE A1089 18.204 55.760 24.312 1.00 14.57 C ATOM 1300 CD1 ILE A1089 15.944 53.733 23.576 1.00 18.54 C ATOM 1301 H ILE A1089 19.956 52.315 22.838 1.00 0.00 H ATOM 1302 HA ILE A1089 19.605 55.162 22.107 1.00 0.00 H ATOM 1303 HB ILE A1089 18.621 53.659 24.551 1.00 0.00 H ATOM 1304 HG12 ILE A1089 17.170 54.545 22.013 1.00 0.00 H ATOM 1305 HG13 ILE A1089 17.528 52.883 22.470 1.00 0.00 H ATOM 1306 HD11 ILE A1089 15.209 53.333 22.878 1.00 0.00 H ATOM 1307 HD12 ILE A1089 15.590 54.700 23.930 1.00 0.00 H ATOM 1308 HD13 ILE A1089 16.043 53.040 24.411 1.00 0.00 H ATOM 1309 HG21 ILE A1089 19.029 56.069 24.954 1.00 0.00 H ATOM 1310 HG22 ILE A1089 17.304 55.749 24.920 1.00 0.00 H ATOM 1311 HG23 ILE A1089 18.089 56.486 23.508 1.00 0.00 H ATOM 1312 N THR A1090 21.908 55.605 23.010 1.00 15.19 N ATOM 1313 CA THR A1090 23.104 56.202 23.634 1.00 17.39 C ATOM 1314 C THR A1090 22.726 57.485 24.362 1.00 17.94 C ATOM 1315 O THR A1090 22.010 58.323 23.817 1.00 17.75 O ATOM 1316 CB THR A1090 24.200 56.501 22.603 1.00 18.28 C ATOM 1317 OG1 THR A1090 24.463 55.350 21.840 1.00 18.64 O ATOM 1318 CG2 THR A1090 25.516 56.936 23.248 1.00 20.20 C ATOM 1319 H THR A1090 21.593 55.997 22.128 1.00 0.00 H ATOM 1320 HA THR A1090 23.518 55.512 24.363 1.00 0.00 H ATOM 1321 HB THR A1090 23.859 57.286 21.932 1.00 0.00 H ATOM 1322 HG1 THR A1090 23.617 54.952 21.625 1.00 0.00 H ATOM 1323 HG21 THR A1090 26.282 57.037 22.481 1.00 0.00 H ATOM 1324 HG22 THR A1090 25.841 56.190 23.975 1.00 0.00 H ATOM 1325 HG23 THR A1090 25.396 57.897 23.749 1.00 0.00 H ATOM 1326 N PHE A1091 23.208 57.669 25.584 1.00 19.97 N ATOM 1327 CA PHE A1091 22.832 58.796 26.434 1.00 22.11 C ATOM 1328 C PHE A1091 23.904 59.900 26.400 1.00 23.30 C ATOM 1329 O PHE A1091 24.904 59.793 27.096 1.00 23.18 O ATOM 1330 CB PHE A1091 22.591 58.190 27.828 1.00 21.29 C ATOM 1331 CG PHE A1091 22.338 59.133 28.987 1.00 23.59 C ATOM 1332 CD1 PHE A1091 22.880 58.806 30.243 1.00 24.69 C ATOM 1333 CD2 PHE A1091 21.538 60.285 28.847 1.00 24.72 C ATOM 1334 CE1 PHE A1091 22.655 59.638 31.350 1.00 24.83 C ATOM 1335 CE2 PHE A1091 21.293 61.106 29.962 1.00 25.80 C ATOM 1336 CZ PHE A1091 21.853 60.779 31.210 1.00 25.37 C ATOM 1337 H PHE A1091 23.803 56.947 25.989 1.00 0.00 H ATOM 1338 HA PHE A1091 21.895 59.233 26.091 1.00 0.00 H ATOM 1339 HB2 PHE A1091 23.460 57.578 28.080 1.00 0.00 H ATOM 1340 HB3 PHE A1091 21.738 57.513 27.762 1.00 0.00 H ATOM 1341 HD1 PHE A1091 23.469 57.907 30.360 1.00 0.00 H ATOM 1342 HD2 PHE A1091 21.108 60.544 27.890 1.00 0.00 H ATOM 1343 HE1 PHE A1091 23.097 59.394 32.304 1.00 0.00 H ATOM 1344 HE2 PHE A1091 20.680 61.991 29.859 1.00 0.00 H ATOM 1345 HZ PHE A1091 21.665 61.402 32.066 1.00 0.00 H ATOM 1346 N ASP A1092 23.713 61.002 25.665 1.00 25.27 N ATOM 1347 CA ASP A1092 24.421 62.254 25.977 1.00 27.70 C ATOM 1348 C ASP A1092 23.714 62.981 27.135 1.00 27.46 C ATOM 1349 O ASP A1092 22.490 63.079 27.160 1.00 27.71 O ATOM 1350 CB ASP A1092 24.654 63.218 24.781 1.00 31.20 C ATOM 1351 CG ASP A1092 23.740 63.136 23.548 1.00 35.03 C ATOM 1352 OD1 ASP A1092 23.771 62.094 22.855 1.00 37.61 O ATOM 1353 OD2 ASP A1092 23.475 64.231 22.985 1.00 37.74 O ATOM 1354 H ASP A1092 22.862 61.086 25.117 1.00 0.00 H ATOM 1355 HA ASP A1092 25.416 61.992 26.338 1.00 0.00 H ATOM 1356 HB2 ASP A1092 24.612 64.242 25.159 1.00 0.00 H ATOM 1357 HB3 ASP A1092 25.679 63.066 24.437 1.00 0.00 H ATOM 1358 N GLN A1093 24.469 63.737 27.940 1.00 27.80 N ATOM 1359 CA GLN A1093 23.884 64.614 28.968 1.00 28.21 C ATOM 1360 C GLN A1093 22.919 65.667 28.381 1.00 26.94 C ATOM 1361 O GLN A1093 21.963 66.054 29.042 1.00 27.03 O ATOM 1362 CB GLN A1093 25.027 65.261 29.778 1.00 30.75 C ATOM 1363 CG GLN A1093 24.578 66.266 30.859 1.00 34.69 C ATOM 1364 CD GLN A1093 23.549 65.710 31.842 1.00 36.33 C ATOM 1365 OE1 GLN A1093 22.484 66.265 32.038 1.00 39.12 O ATOM 1366 NE2 GLN A1093 23.736 64.510 32.343 1.00 37.39 N ATOM 1367 H GLN A1093 25.471 63.652 27.884 1.00 0.00 H ATOM 1368 HA GLN A1093 23.292 63.989 29.640 1.00 0.00 H ATOM 1369 HB2 GLN A1093 25.696 65.780 29.090 1.00 0.00 H ATOM 1370 HB3 GLN A1093 25.601 64.468 30.259 1.00 0.00 H ATOM 1371 HG2 GLN A1093 24.161 67.153 30.381 1.00 0.00 H ATOM 1372 HG3 GLN A1093 25.455 66.575 31.427 1.00 0.00 H ATOM 1373 HE21 GLN A1093 24.561 63.977 32.167 1.00 0.00 H ATOM 1374 HE22 GLN A1093 22.930 64.124 32.829 1.00 0.00 H ATOM 1375 N ALA A1094 23.094 66.060 27.115 1.00 25.38 N ATOM 1376 CA ALA A1094 22.164 66.940 26.407 1.00 23.51 C ATOM 1377 C ALA A1094 20.952 66.214 25.782 1.00 22.44 C ATOM 1378 O ALA A1094 19.886 66.817 25.658 1.00 21.33 O ATOM 1379 CB ALA A1094 22.970 67.697 25.344 1.00 24.59 C ATOM 1380 H ALA A1094 23.853 65.653 26.596 1.00 0.00 H ATOM 1381 HA ALA A1094 21.765 67.674 27.111 1.00 0.00 H ATOM 1382 HB1 ALA A1094 22.312 68.386 24.812 1.00 0.00 H ATOM 1383 HB2 ALA A1094 23.766 68.270 25.821 1.00 0.00 H ATOM 1384 HB3 ALA A1094 23.406 66.995 24.632 1.00 0.00 H ATOM 1385 N ASN A1095 21.093 64.957 25.340 1.00 20.81 N ATOM 1386 CA ASN A1095 20.075 64.210 24.587 1.00 20.49 C ATOM 1387 C ASN A1095 20.230 62.696 24.774 1.00 18.25 C ATOM 1388 O ASN A1095 21.339 62.182 24.734 1.00 20.17 O ATOM 1389 CB ASN A1095 20.140 64.499 23.069 1.00 21.73 C ATOM 1390 CG ASN A1095 20.378 65.941 22.680 1.00 24.25 C ATOM 1391 OD1 ASN A1095 19.470 66.668 22.317 1.00 27.18 O ATOM 1392 ND2 ASN A1095 21.623 66.314 22.506 1.00 26.05 N ATOM 1393 H ASN A1095 21.929 64.444 25.593 1.00 0.00 H ATOM 1394 HA ASN A1095 19.092 64.491 24.957 1.00 0.00 H ATOM 1395 HB2 ASN A1095 19.202 64.188 22.617 1.00 0.00 H ATOM 1396 HB3 ASN A1095 20.924 63.889 22.622 1.00 0.00 H ATOM 1397 HD21 ASN A1095 21.780 67.268 22.251 1.00 0.00 H ATOM 1398 HD22 ASN A1095 22.366 65.660 22.764 1.00 0.00 H ATOM 1399 N LEU A1096 19.144 61.958 24.579 1.00 16.68 N ATOM 1400 CA LEU A1096 19.219 60.558 24.178 1.00 14.11 C ATOM 1401 C LEU A1096 19.347 60.479 22.651 1.00 13.21 C ATOM 1402 O LEU A1096 18.478 60.963 21.926 1.00 13.47 O ATOM 1403 CB LEU A1096 18.006 59.793 24.722 1.00 15.72 C ATOM 1404 CG LEU A1096 17.996 59.730 26.264 1.00 15.55 C ATOM 1405 CD1 LEU A1096 17.229 60.893 26.904 1.00 17.35 C ATOM 1406 CD2 LEU A1096 17.355 58.419 26.715 1.00 16.12 C ATOM 1407 H LEU A1096 18.262 62.440 24.435 1.00 0.00 H ATOM 1408 HA LEU A1096 20.112 60.102 24.609 1.00 0.00 H ATOM 1409 HB2 LEU A1096 18.063 58.780 24.322 1.00 0.00 H ATOM 1410 HB3 LEU A1096 17.082 60.245 24.357 1.00 0.00 H ATOM 1411 HG LEU A1096 19.019 59.741 26.641 1.00 0.00 H ATOM 1412 HD21 LEU A1096 17.170 58.439 27.786 1.00 0.00 H ATOM 1413 HD22 LEU A1096 16.420 58.263 26.188 1.00 0.00 H ATOM 1414 HD23 LEU A1096 18.034 57.597 26.500 1.00 0.00 H ATOM 1415 HD11 LEU A1096 17.266 60.790 27.985 1.00 0.00 H ATOM 1416 HD12 LEU A1096 17.687 61.846 26.654 1.00 0.00 H ATOM 1417 HD13 LEU A1096 16.194 60.902 26.571 1.00 0.00 H ATOM 1418 N THR A1097 20.454 59.922 22.167 1.00 11.23 N ATOM 1419 CA THR A1097 20.653 59.544 20.763 1.00 12.02 C ATOM 1420 C THR A1097 20.026 58.179 20.517 1.00 12.39 C ATOM 1421 O THR A1097 20.409 57.201 21.157 1.00 14.36 O ATOM 1422 CB THR A1097 22.144 59.471 20.408 1.00 13.49 C ATOM 1423 OG1 THR A1097 22.772 60.696 20.697 1.00 14.84 O ATOM 1424 CG2 THR A1097 22.371 59.209 18.918 1.00 14.44 C ATOM 1425 H THR A1097 21.102 59.523 22.840 1.00 0.00 H ATOM 1426 HA THR A1097 20.180 60.278 20.114 1.00 0.00 H ATOM 1427 HB THR A1097 22.623 58.686 20.988 1.00 0.00 H ATOM 1428 HG1 THR A1097 22.939 60.746 21.660 1.00 0.00 H ATOM 1429 HG21 THR A1097 23.439 59.238 18.700 1.00 0.00 H ATOM 1430 HG22 THR A1097 21.859 59.963 18.320 1.00 0.00 H ATOM 1431 HG23 THR A1097 22.000 58.221 18.645 1.00 0.00 H ATOM 1432 N VAL A1098 19.114 58.082 19.554 1.00 10.59 N ATOM 1433 CA VAL A1098 18.391 56.846 19.234 1.00 10.86 C ATOM 1434 C VAL A1098 18.766 56.390 17.827 1.00 11.11 C ATOM 1435 O VAL A1098 18.444 57.071 16.853 1.00 10.85 O ATOM 1436 CB VAL A1098 16.873 57.059 19.375 1.00 10.05 C ATOM 1437 CG1 VAL A1098 16.099 55.769 19.070 1.00 10.16 C ATOM 1438 CG2 VAL A1098 16.475 57.530 20.782 1.00 11.61 C ATOM 1439 H VAL A1098 18.900 58.909 19.003 1.00 0.00 H ATOM 1440 HA VAL A1098 18.674 56.059 19.933 1.00 0.00 H ATOM 1441 HB VAL A1098 16.572 57.831 18.671 1.00 0.00 H ATOM 1442 HG21 VAL A1098 15.394 57.655 20.833 1.00 0.00 H ATOM 1443 HG22 VAL A1098 16.934 58.495 20.999 1.00 0.00 H ATOM 1444 HG23 VAL A1098 16.792 56.804 21.527 1.00 0.00 H ATOM 1445 HG11 VAL A1098 16.249 55.476 18.031 1.00 0.00 H ATOM 1446 HG12 VAL A1098 16.438 54.969 19.726 1.00 0.00 H ATOM 1447 HG13 VAL A1098 15.033 55.931 19.225 1.00 0.00 H ATOM 1448 N LYS A1099 19.385 55.206 17.723 1.00 9.87 N ATOM 1449 CA LYS A1099 19.580 54.478 16.462 1.00 10.57 C ATOM 1450 C LYS A1099 18.521 53.387 16.288 1.00 11.47 C ATOM 1451 O LYS A1099 18.234 52.639 17.225 1.00 10.63 O ATOM 1452 CB LYS A1099 21.020 53.953 16.354 1.00 12.98 C ATOM 1453 CG LYS A1099 21.266 53.195 15.034 1.00 14.54 C ATOM 1454 CD LYS A1099 22.764 53.032 14.724 1.00 20.09 C ATOM 1455 CE LYS A1099 23.211 54.265 13.936 1.00 22.73 C ATOM 1456 NZ LYS A1099 24.514 54.828 14.353 1.00 25.83 N ATOM 1457 H LYS A1099 19.618 54.723 18.581 1.00 0.00 H ATOM 1458 HA LYS A1099 19.447 55.190 15.652 1.00 0.00 H ATOM 1459 HB2 LYS A1099 21.232 53.290 17.190 1.00 0.00 H ATOM 1460 HB3 LYS A1099 21.700 54.805 16.415 1.00 0.00 H ATOM 1461 HG2 LYS A1099 20.779 53.720 14.210 1.00 0.00 H ATOM 1462 HG3 LYS A1099 20.808 52.213 15.099 1.00 0.00 H ATOM 1463 HD2 LYS A1099 22.915 52.147 14.105 1.00 0.00 H ATOM 1464 HD3 LYS A1099 23.325 52.923 15.654 1.00 0.00 H ATOM 1465 HE2 LYS A1099 23.190 54.055 12.863 1.00 0.00 H ATOM 1466 HE3 LYS A1099 22.457 55.029 14.111 1.00 0.00 H ATOM 1467 HZ1 LYS A1099 24.670 55.699 13.832 1.00 0.00 H ATOM 1468 HZ2 LYS A1099 25.295 54.205 14.263 1.00 0.00 H ATOM 1469 HZ3 LYS A1099 24.433 55.240 15.286 1.00 0.00 H ATOM 1470 N LEU A1100 17.930 53.336 15.099 1.00 10.21 N ATOM 1471 CA LEU A1100 16.798 52.481 14.727 1.00 10.72 C ATOM 1472 C LEU A1100 17.229 51.190 13.981 1.00 11.27 C ATOM 1473 O LEU A1100 18.408 51.057 13.641 1.00 11.52 O ATOM 1474 CB LEU A1100 15.851 53.371 13.899 1.00 8.98 C ATOM 1475 CG LEU A1100 15.174 54.515 14.677 1.00 10.84 C ATOM 1476 CD1 LEU A1100 14.268 55.300 13.732 1.00 10.37 C ATOM 1477 CD2 LEU A1100 14.303 53.997 15.825 1.00 10.37 C ATOM 1478 H LEU A1100 18.237 54.014 14.408 1.00 0.00 H ATOM 1479 HA LEU A1100 16.290 52.160 15.635 1.00 0.00 H ATOM 1480 HB2 LEU A1100 15.080 52.763 13.441 1.00 0.00 H ATOM 1481 HB3 LEU A1100 16.429 53.815 13.089 1.00 0.00 H ATOM 1482 HG LEU A1100 15.928 55.192 15.077 1.00 0.00 H ATOM 1483 HD11 LEU A1100 14.836 55.612 12.857 1.00 0.00 H ATOM 1484 HD12 LEU A1100 13.443 54.676 13.396 1.00 0.00 H ATOM 1485 HD13 LEU A1100 13.881 56.187 14.232 1.00 0.00 H ATOM 1486 HD21 LEU A1100 13.741 54.822 16.259 1.00 0.00 H ATOM 1487 HD22 LEU A1100 14.929 53.567 16.604 1.00 0.00 H ATOM 1488 HD23 LEU A1100 13.611 53.247 15.447 1.00 0.00 H ATOM 1489 N PRO A1101 16.309 50.233 13.705 1.00 13.74 N ATOM 1490 CA PRO A1101 16.626 48.958 13.038 1.00 13.32 C ATOM 1491 C PRO A1101 17.231 49.060 11.628 1.00 14.00 C ATOM 1492 O PRO A1101 17.869 48.115 11.170 1.00 14.85 O ATOM 1493 CB PRO A1101 15.298 48.194 12.963 1.00 13.70 C ATOM 1494 CG PRO A1101 14.500 48.731 14.142 1.00 16.49 C ATOM 1495 CD PRO A1101 14.943 50.186 14.218 1.00 13.27 C ATOM 1496 HA PRO A1101 17.320 48.405 13.671 1.00 0.00 H ATOM 1497 HB2 PRO A1101 15.449 47.117 13.034 1.00 0.00 H ATOM 1498 HB3 PRO A1101 14.773 48.442 12.038 1.00 0.00 H ATOM 1499 HG2 PRO A1101 13.427 48.647 13.973 1.00 0.00 H ATOM 1500 HG3 PRO A1101 14.786 48.206 15.050 1.00 0.00 H ATOM 1501 HD2 PRO A1101 14.881 50.537 15.248 1.00 0.00 H ATOM 1502 HD3 PRO A1101 14.293 50.775 13.578 1.00 0.00 H ATOM 1503 N ASP A1102 16.980 50.157 10.913 1.00 12.89 N ATOM 1504 CA ASP A1102 17.572 50.491 9.608 1.00 12.30 C ATOM 1505 C ASP A1102 18.953 51.173 9.724 1.00 12.90 C ATOM 1506 O ASP A1102 19.635 51.372 8.718 1.00 12.88 O ATOM 1507 CB ASP A1102 16.598 51.411 8.843 1.00 13.13 C ATOM 1508 CG ASP A1102 16.224 52.709 9.578 1.00 14.58 C ATOM 1509 OD1 ASP A1102 16.640 52.874 10.750 1.00 12.16 O ATOM 1510 OD2 ASP A1102 15.389 53.459 9.030 1.00 17.06 O ATOM 1511 H ASP A1102 16.489 50.924 11.361 1.00 0.00 H ATOM 1512 HA ASP A1102 17.709 49.576 9.031 1.00 0.00 H ATOM 1513 HB2 ASP A1102 17.040 51.670 7.879 1.00 0.00 H ATOM 1514 HB3 ASP A1102 15.685 50.849 8.640 1.00 0.00 H ATOM 1515 N GLY A1103 19.365 51.553 10.937 1.00 12.89 N ATOM 1516 CA GLY A1103 20.557 52.354 11.210 1.00 12.35 C ATOM 1517 C GLY A1103 20.343 53.874 11.194 1.00 10.95 C ATOM 1518 O GLY A1103 21.310 54.594 11.442 1.00 9.83 O ATOM 1519 H GLY A1103 18.744 51.364 11.716 1.00 0.00 H ATOM 1520 HA2 GLY A1103 20.929 52.081 12.196 1.00 0.00 H ATOM 1521 HA3 GLY A1103 21.325 52.116 10.474 1.00 0.00 H ATOM 1522 N TYR A1104 19.115 54.371 10.992 1.00 11.01 N ATOM 1523 CA TYR A1104 18.774 55.798 11.086 1.00 10.86 C ATOM 1524 C TYR A1104 19.023 56.341 12.501 1.00 11.08 C ATOM 1525 O TYR A1104 18.758 55.645 13.482 1.00 12.35 O ATOM 1526 CB TYR A1104 17.306 55.991 10.672 1.00 11.18 C ATOM 1527 CG TYR A1104 16.773 57.414 10.700 1.00 12.06 C ATOM 1528 CD1 TYR A1104 16.701 58.159 9.507 1.00 13.93 C ATOM 1529 CD2 TYR A1104 16.265 57.960 11.897 1.00 11.86 C ATOM 1530 CE1 TYR A1104 16.110 59.437 9.504 1.00 13.66 C ATOM 1531 CE2 TYR A1104 15.664 59.233 11.896 1.00 13.14 C ATOM 1532 CZ TYR A1104 15.578 59.970 10.699 1.00 13.77 C ATOM 1533 OH TYR A1104 14.965 61.183 10.689 1.00 13.88 O ATOM 1534 H TYR A1104 18.339 53.721 10.869 1.00 0.00 H ATOM 1535 HA TYR A1104 19.404 56.352 10.392 1.00 0.00 H ATOM 1536 HB2 TYR A1104 16.679 55.393 11.332 1.00 0.00 H ATOM 1537 HB3 TYR A1104 17.176 55.591 9.666 1.00 0.00 H ATOM 1538 HD1 TYR A1104 17.064 57.726 8.585 1.00 0.00 H ATOM 1539 HD2 TYR A1104 16.318 57.390 12.814 1.00 0.00 H ATOM 1540 HE1 TYR A1104 16.030 59.990 8.581 1.00 0.00 H ATOM 1541 HE2 TYR A1104 15.251 59.646 12.803 1.00 0.00 H ATOM 1542 HH TYR A1104 15.148 61.655 9.877 1.00 0.00 H ATOM 1543 N GLU A1105 19.425 57.612 12.613 1.00 11.29 N ATOM 1544 CA GLU A1105 19.681 58.291 13.891 1.00 13.18 C ATOM 1545 C GLU A1105 18.856 59.563 14.062 1.00 12.56 C ATOM 1546 O GLU A1105 18.860 60.440 13.197 1.00 13.78 O ATOM 1547 CB GLU A1105 21.177 58.610 14.074 1.00 17.17 C ATOM 1548 CG GLU A1105 21.926 57.319 14.376 1.00 22.79 C ATOM 1549 CD GLU A1105 23.400 57.515 14.755 1.00 26.36 C ATOM 1550 OE1 GLU A1105 24.192 57.456 13.783 1.00 29.55 O ATOM 1551 OE2 GLU A1105 23.744 56.946 15.816 1.00 29.19 O ATOM 1552 H GLU A1105 19.519 58.165 11.776 1.00 0.00 H ATOM 1553 HA GLU A1105 19.389 57.622 14.699 1.00 0.00 H ATOM 1554 HB2 GLU A1105 21.308 59.301 14.908 1.00 0.00 H ATOM 1555 HB3 GLU A1105 21.578 59.065 13.167 1.00 0.00 H ATOM 1556 HG2 GLU A1105 21.413 56.804 15.192 1.00 0.00 H ATOM 1557 HG3 GLU A1105 21.858 56.692 13.486 1.00 0.00 H ATOM 1558 N PHE A1106 18.394 59.772 15.293 1.00 11.09 N ATOM 1559 CA PHE A1106 17.894 61.055 15.781 1.00 10.00 C ATOM 1560 C PHE A1106 18.311 61.282 17.242 1.00 11.74 C ATOM 1561 O PHE A1106 18.903 60.413 17.887 1.00 12.59 O ATOM 1562 CB PHE A1106 16.372 61.136 15.572 1.00 10.29 C ATOM 1563 CG PHE A1106 15.548 60.225 16.462 1.00 10.33 C ATOM 1564 CD1 PHE A1106 15.349 58.876 16.112 1.00 8.54 C ATOM 1565 CD2 PHE A1106 14.961 60.736 17.635 1.00 9.37 C ATOM 1566 CE1 PHE A1106 14.562 58.046 16.929 1.00 11.31 C ATOM 1567 CE2 PHE A1106 14.190 59.902 18.460 1.00 10.21 C ATOM 1568 CZ PHE A1106 13.987 58.558 18.106 1.00 10.34 C ATOM 1569 H PHE A1106 18.480 59.022 15.973 1.00 0.00 H ATOM 1570 HA PHE A1106 18.349 61.850 15.190 1.00 0.00 H ATOM 1571 HB2 PHE A1106 16.052 62.165 15.739 1.00 0.00 H ATOM 1572 HB3 PHE A1106 16.147 60.910 14.530 1.00 0.00 H ATOM 1573 HD1 PHE A1106 15.797 58.478 15.213 1.00 0.00 H ATOM 1574 HD2 PHE A1106 15.067 61.780 17.888 1.00 0.00 H ATOM 1575 HE1 PHE A1106 14.408 57.015 16.653 1.00 0.00 H ATOM 1576 HE2 PHE A1106 13.721 60.309 19.344 1.00 0.00 H ATOM 1577 HZ PHE A1106 13.375 57.929 18.732 1.00 0.00 H ATOM 1578 N LYS A1107 18.047 62.485 17.758 1.00 11.77 N ATOM 1579 CA LYS A1107 18.253 62.856 19.164 1.00 11.41 C ATOM 1580 C LYS A1107 16.942 63.341 19.777 1.00 12.01 C ATOM 1581 O LYS A1107 16.150 63.993 19.098 1.00 10.93 O ATOM 1582 CB LYS A1107 19.360 63.919 19.285 1.00 15.13 C ATOM 1583 CG LYS A1107 20.778 63.329 19.186 1.00 16.20 C ATOM 1584 CD LYS A1107 21.823 64.455 19.251 1.00 20.76 C ATOM 1585 CE LYS A1107 23.273 63.961 19.163 1.00 21.71 C ATOM 1586 NZ LYS A1107 23.709 63.273 20.398 1.00 24.27 N ATOM 1587 H LYS A1107 17.498 63.120 17.195 1.00 0.00 H ATOM 1588 HA LYS A1107 18.555 61.975 19.730 1.00 0.00 H ATOM 1589 HB2 LYS A1107 19.219 64.674 18.510 1.00 0.00 H ATOM 1590 HB3 LYS A1107 19.269 64.416 20.251 1.00 0.00 H ATOM 1591 HG2 LYS A1107 20.931 62.638 20.015 1.00 0.00 H ATOM 1592 HG3 LYS A1107 20.888 62.787 18.246 1.00 0.00 H ATOM 1593 HD2 LYS A1107 21.694 65.016 20.175 1.00 0.00 H ATOM 1594 HD3 LYS A1107 21.647 65.135 18.417 1.00 0.00 H ATOM 1595 HE2 LYS A1107 23.366 63.283 18.309 1.00 0.00 H ATOM 1596 HE3 LYS A1107 23.920 64.823 18.987 1.00 0.00 H ATOM 1597 HZ1 LYS A1107 24.671 62.977 20.387 1.00 0.00 H ATOM 1598 HZ2 LYS A1107 23.181 62.420 20.565 1.00 0.00 H ATOM 1599 HZ3 LYS A1107 23.573 63.805 21.261 1.00 0.00 H ATOM 1600 N PHE A1108 16.795 63.146 21.084 1.00 11.98 N ATOM 1601 CA PHE A1108 15.702 63.684 21.891 1.00 12.14 C ATOM 1602 C PHE A1108 16.260 64.323 23.180 1.00 12.43 C ATOM 1603 O PHE A1108 17.008 63.654 23.894 1.00 13.72 O ATOM 1604 CB PHE A1108 14.708 62.558 22.201 1.00 12.49 C ATOM 1605 CG PHE A1108 13.510 63.066 22.968 1.00 11.51 C ATOM 1606 CD1 PHE A1108 12.390 63.544 22.266 1.00 12.78 C ATOM 1607 CD2 PHE A1108 13.555 63.159 24.372 1.00 12.28 C ATOM 1608 CE1 PHE A1108 11.324 64.137 22.962 1.00 12.73 C ATOM 1609 CE2 PHE A1108 12.496 63.762 25.067 1.00 12.83 C ATOM 1610 CZ PHE A1108 11.391 64.262 24.359 1.00 12.96 C ATOM 1611 H PHE A1108 17.468 62.544 21.548 1.00 0.00 H ATOM 1612 HA PHE A1108 15.173 64.439 21.310 1.00 0.00 H ATOM 1613 HB2 PHE A1108 14.369 62.113 21.264 1.00 0.00 H ATOM 1614 HB3 PHE A1108 15.208 61.780 22.781 1.00 0.00 H ATOM 1615 HD1 PHE A1108 12.362 63.477 21.187 1.00 0.00 H ATOM 1616 HD2 PHE A1108 14.417 62.803 24.921 1.00 0.00 H ATOM 1617 HE1 PHE A1108 10.465 64.506 22.419 1.00 0.00 H ATOM 1618 HE2 PHE A1108 12.548 63.844 26.143 1.00 0.00 H ATOM 1619 HZ PHE A1108 10.587 64.734 24.891 1.00 0.00 H ATOM 1620 N PRO A1109 15.964 65.599 23.493 1.00 13.71 N ATOM 1621 CA PRO A1109 16.652 66.338 24.555 1.00 15.24 C ATOM 1622 C PRO A1109 16.402 65.772 25.963 1.00 14.61 C ATOM 1623 O PRO A1109 15.256 65.556 26.361 1.00 14.91 O ATOM 1624 CB PRO A1109 16.174 67.789 24.423 1.00 16.52 C ATOM 1625 CG PRO A1109 14.817 67.656 23.731 1.00 17.43 C ATOM 1626 CD PRO A1109 15.024 66.465 22.801 1.00 15.79 C ATOM 1627 HA PRO A1109 17.724 66.315 24.359 1.00 0.00 H ATOM 1628 HB2 PRO A1109 16.090 68.288 25.389 1.00 0.00 H ATOM 1629 HB3 PRO A1109 16.861 68.336 23.775 1.00 0.00 H ATOM 1630 HG2 PRO A1109 14.550 68.559 23.181 1.00 0.00 H ATOM 1631 HG3 PRO A1109 14.053 67.408 24.466 1.00 0.00 H ATOM 1632 HD2 PRO A1109 14.073 65.961 22.618 1.00 0.00 H ATOM 1633 HD3 PRO A1109 15.462 66.800 21.859 1.00 0.00 H ATOM 1634 N ASN A1110 17.447 65.774 26.797 1.00 15.32 N ATOM 1635 CA ASN A1110 17.412 65.448 28.230 1.00 15.95 C ATOM 1636 C ASN A1110 16.806 66.599 29.062 1.00 16.83 C ATOM 1637 O ASN A1110 17.471 67.200 29.902 1.00 17.79 O ATOM 1638 CB ASN A1110 18.836 65.071 28.687 1.00 16.76 C ATOM 1639 CG ASN A1110 18.920 64.615 30.142 1.00 18.31 C ATOM 1640 OD1 ASN A1110 17.955 64.154 30.741 1.00 19.26 O ATOM 1641 ND2 ASN A1110 20.080 64.730 30.746 1.00 20.17 N ATOM 1642 H ASN A1110 18.333 66.106 26.425 1.00 0.00 H ATOM 1643 HA ASN A1110 16.771 64.576 28.370 1.00 0.00 H ATOM 1644 HB2 ASN A1110 19.232 64.272 28.062 1.00 0.00 H ATOM 1645 HB3 ASN A1110 19.474 65.945 28.567 1.00 0.00 H ATOM 1646 HD21 ASN A1110 20.830 65.246 30.290 1.00 0.00 H ATOM 1647 HD22 ASN A1110 20.214 64.390 31.685 1.00 0.00 H ATOM 1648 N ARG A1111 15.535 66.938 28.809 1.00 16.39 N ATOM 1649 CA ARG A1111 14.816 68.079 29.423 1.00 17.96 C ATOM 1650 C ARG A1111 14.848 68.066 30.959 1.00 18.70 C ATOM 1651 O ARG A1111 14.908 69.123 31.578 1.00 19.66 O ATOM 1652 CB ARG A1111 13.352 68.060 28.954 1.00 16.99 C ATOM 1653 CG ARG A1111 13.163 68.279 27.441 1.00 17.05 C ATOM 1654 CD ARG A1111 11.752 67.819 27.064 1.00 16.89 C ATOM 1655 NE ARG A1111 11.472 67.871 25.618 1.00 16.13 N ATOM 1656 CZ ARG A1111 10.355 67.450 25.047 1.00 16.05 C ATOM 1657 NH1 ARG A1111 9.362 66.946 25.727 1.00 14.90 N ATOM 1658 NH2 ARG A1111 10.217 67.491 23.755 1.00 15.14 N ATOM 1659 H ARG A1111 15.084 66.425 28.057 1.00 0.00 H ATOM 1660 HA ARG A1111 15.290 69.016 29.123 1.00 0.00 H ATOM 1661 HB2 ARG A1111 12.798 68.836 29.486 1.00 0.00 H ATOM 1662 HB3 ARG A1111 12.924 67.096 29.239 1.00 0.00 H ATOM 1663 HG2 ARG A1111 13.884 67.690 26.879 1.00 0.00 H ATOM 1664 HG3 ARG A1111 13.296 69.334 27.199 1.00 0.00 H ATOM 1665 HD2 ARG A1111 11.668 66.782 27.376 1.00 0.00 H ATOM 1666 HD3 ARG A1111 11.019 68.417 27.610 1.00 0.00 H ATOM 1667 HE ARG A1111 12.204 68.200 25.015 1.00 0.00 H ATOM 1668 HH11 ARG A1111 8.560 66.558 25.234 1.00 0.00 H ATOM 1669 HH12 ARG A1111 9.494 66.733 26.711 1.00 0.00 H ATOM 1670 HH21 ARG A1111 9.337 67.164 23.364 1.00 0.00 H ATOM 1671 HH22 ARG A1111 10.979 67.733 23.149 1.00 0.00 H ATOM 1672 N LEU A1112 14.894 66.866 31.541 1.00 19.42 N ATOM 1673 CA LEU A1112 14.955 66.616 32.982 1.00 20.28 C ATOM 1674 C LEU A1112 16.330 66.924 33.605 1.00 20.34 C ATOM 1675 O LEU A1112 16.420 67.024 34.826 1.00 19.46 O ATOM 1676 CB LEU A1112 14.603 65.139 33.241 1.00 20.58 C ATOM 1677 CG LEU A1112 13.099 64.821 33.283 1.00 21.55 C ATOM 1678 CD1 LEU A1112 12.417 64.919 31.918 1.00 23.33 C ATOM 1679 CD2 LEU A1112 12.911 63.396 33.806 1.00 21.43 C ATOM 1680 H LEU A1112 14.856 66.067 30.933 1.00 0.00 H ATOM 1681 HA LEU A1112 14.218 67.250 33.482 1.00 0.00 H ATOM 1682 HB2 LEU A1112 15.091 64.505 32.499 1.00 0.00 H ATOM 1683 HB3 LEU A1112 15.008 64.881 34.219 1.00 0.00 H ATOM 1684 HG LEU A1112 12.624 65.501 33.980 1.00 0.00 H ATOM 1685 HD11 LEU A1112 11.381 64.596 32.019 1.00 0.00 H ATOM 1686 HD12 LEU A1112 12.396 65.961 31.601 1.00 0.00 H ATOM 1687 HD13 LEU A1112 12.927 64.304 31.183 1.00 0.00 H ATOM 1688 HD21 LEU A1112 11.845 63.189 33.861 1.00 0.00 H ATOM 1689 HD22 LEU A1112 13.330 63.318 34.807 1.00 0.00 H ATOM 1690 HD23 LEU A1112 13.394 62.683 33.142 1.00 0.00 H ATOM 1691 N ASN A1113 17.394 67.064 32.803 1.00 19.79 N ATOM 1692 CA ASN A1113 18.781 67.227 33.268 1.00 21.46 C ATOM 1693 C ASN A1113 19.260 66.036 34.130 1.00 22.04 C ATOM 1694 O ASN A1113 19.869 66.210 35.184 1.00 20.88 O ATOM 1695 CB ASN A1113 19.001 68.614 33.920 1.00 23.59 C ATOM 1696 CG ASN A1113 18.236 69.744 33.253 1.00 26.31 C ATOM 1697 OD1 ASN A1113 18.695 70.381 32.321 1.00 26.91 O ATOM 1698 ND2 ASN A1113 17.018 69.986 33.680 1.00 27.52 N ATOM 1699 H ASN A1113 17.249 67.051 31.800 1.00 0.00 H ATOM 1700 HA ASN A1113 19.410 67.205 32.375 1.00 0.00 H ATOM 1701 HB2 ASN A1113 20.063 68.854 33.875 1.00 0.00 H ATOM 1702 HB3 ASN A1113 18.716 68.570 34.971 1.00 0.00 H ATOM 1703 HD21 ASN A1113 16.622 69.342 34.345 1.00 0.00 H ATOM 1704 HD22 ASN A1113 16.432 70.495 33.041 1.00 0.00 H ATOM 1705 N LEU A1114 18.874 64.808 33.751 1.00 21.23 N ATOM 1706 CA LEU A1114 19.286 63.588 34.455 1.00 21.68 C ATOM 1707 C LEU A1114 20.815 63.446 34.416 1.00 21.89 C ATOM 1708 O LEU A1114 21.382 63.392 33.330 1.00 20.62 O ATOM 1709 CB LEU A1114 18.608 62.354 33.806 1.00 22.34 C ATOM 1710 CG LEU A1114 17.599 61.642 34.719 1.00 24.31 C ATOM 1711 CD1 LEU A1114 16.386 62.517 35.032 1.00 23.87 C ATOM 1712 CD2 LEU A1114 17.073 60.376 34.043 1.00 24.65 C ATOM 1713 H LEU A1114 18.374 64.718 32.875 1.00 0.00 H ATOM 1714 HA LEU A1114 18.984 63.674 35.499 1.00 0.00 H ATOM 1715 HB2 LEU A1114 19.377 61.629 33.532 1.00 0.00 H ATOM 1716 HB3 LEU A1114 18.103 62.640 32.884 1.00 0.00 H ATOM 1717 HG LEU A1114 18.093 61.367 35.651 1.00 0.00 H ATOM 1718 HD11 LEU A1114 15.691 61.978 35.669 1.00 0.00 H ATOM 1719 HD12 LEU A1114 16.698 63.433 35.532 1.00 0.00 H ATOM 1720 HD13 LEU A1114 15.887 62.773 34.099 1.00 0.00 H ATOM 1721 HD21 LEU A1114 16.519 59.793 34.772 1.00 0.00 H ATOM 1722 HD22 LEU A1114 16.436 60.629 33.200 1.00 0.00 H ATOM 1723 HD23 LEU A1114 17.906 59.775 33.681 1.00 0.00 H ATOM 1724 N GLU A1115 21.438 63.118 35.550 1.00 22.27 N ATOM 1725 CA GLU A1115 22.831 62.631 35.609 1.00 23.52 C ATOM 1726 C GLU A1115 22.986 61.192 35.084 1.00 21.76 C ATOM 1727 O GLU A1115 24.078 60.780 34.697 1.00 22.24 O ATOM 1728 CB GLU A1115 23.316 62.637 37.066 1.00 26.54 C ATOM 1729 CG GLU A1115 23.537 64.037 37.650 1.00 30.68 C ATOM 1730 CD GLU A1115 24.174 63.951 39.048 1.00 32.90 C ATOM 1731 OE1 GLU A1115 25.123 64.725 39.301 1.00 35.91 O ATOM 1732 OE2 GLU A1115 23.775 63.043 39.815 1.00 34.82 O ATOM 1733 H GLU A1115 20.956 63.265 36.423 1.00 0.00 H ATOM 1734 HA GLU A1115 23.478 63.279 35.016 1.00 0.00 H ATOM 1735 HB2 GLU A1115 22.587 62.102 37.676 1.00 0.00 H ATOM 1736 HB3 GLU A1115 24.263 62.096 37.119 1.00 0.00 H ATOM 1737 HG2 GLU A1115 24.189 64.598 36.975 1.00 0.00 H ATOM 1738 HG3 GLU A1115 22.579 64.557 37.713 1.00 0.00 H ATOM 1739 N ALA A1116 21.927 60.388 35.217 1.00 20.59 N ATOM 1740 CA ALA A1116 21.952 58.939 35.064 1.00 19.31 C ATOM 1741 C ALA A1116 20.558 58.392 34.734 1.00 18.29 C ATOM 1742 O ALA A1116 19.572 58.818 35.341 1.00 17.96 O ATOM 1743 CB ALA A1116 22.462 58.330 36.372 1.00 20.40 C ATOM 1744 H ALA A1116 21.074 60.790 35.570 1.00 0.00 H ATOM 1745 HA ALA A1116 22.637 58.672 34.264 1.00 0.00 H ATOM 1746 HB1 ALA A1116 22.478 57.245 36.280 1.00 0.00 H ATOM 1747 HB2 ALA A1116 23.462 58.708 36.575 1.00 0.00 H ATOM 1748 HB3 ALA A1116 21.797 58.602 37.193 1.00 0.00 H ATOM 1749 N ILE A1117 20.482 57.371 33.876 1.00 18.09 N ATOM 1750 CA ILE A1117 19.253 56.592 33.672 1.00 18.26 C ATOM 1751 C ILE A1117 19.245 55.427 34.668 1.00 18.03 C ATOM 1752 O ILE A1117 20.073 54.521 34.613 1.00 19.48 O ATOM 1753 CB ILE A1117 19.086 56.160 32.197 1.00 17.15 C ATOM 1754 CG1 ILE A1117 18.939 57.417 31.308 1.00 18.48 C ATOM 1755 CG2 ILE A1117 17.881 55.211 32.026 1.00 18.25 C ATOM 1756 CD1 ILE A1117 18.921 57.136 29.802 1.00 18.88 C ATOM 1757 H ILE A1117 21.350 57.018 33.480 1.00 0.00 H ATOM 1758 HA ILE A1117 18.396 57.224 33.907 1.00 0.00 H ATOM 1759 HB ILE A1117 19.978 55.626 31.885 1.00 0.00 H ATOM 1760 HG12 ILE A1117 18.026 57.946 31.582 1.00 0.00 H ATOM 1761 HG13 ILE A1117 19.779 58.087 31.491 1.00 0.00 H ATOM 1762 HD11 ILE A1117 18.983 58.083 29.266 1.00 0.00 H ATOM 1763 HD12 ILE A1117 18.001 56.629 29.516 1.00 0.00 H ATOM 1764 HD13 ILE A1117 19.779 56.525 29.525 1.00 0.00 H ATOM 1765 HG21 ILE A1117 17.790 54.903 30.986 1.00 0.00 H ATOM 1766 HG22 ILE A1117 18.023 54.305 32.615 1.00 0.00 H ATOM 1767 HG23 ILE A1117 16.963 55.707 32.338 1.00 0.00 H ATOM 1768 N ASN A1118 18.254 55.421 35.558 1.00 17.96 N ATOM 1769 CA ASN A1118 18.107 54.447 36.640 1.00 19.00 C ATOM 1770 C ASN A1118 16.821 53.602 36.545 1.00 17.81 C ATOM 1771 O ASN A1118 16.641 52.699 37.361 1.00 17.95 O ATOM 1772 CB ASN A1118 18.285 55.168 37.990 1.00 21.97 C ATOM 1773 CG ASN A1118 19.744 55.184 38.411 1.00 25.67 C ATOM 1774 OD1 ASN A1118 20.547 55.996 37.995 1.00 28.04 O ATOM 1775 ND2 ASN A1118 20.187 54.178 39.129 1.00 27.37 N ATOM 1776 H ASN A1118 17.575 56.171 35.499 1.00 0.00 H ATOM 1777 HA ASN A1118 18.916 53.724 36.554 1.00 0.00 H ATOM 1778 HB2 ASN A1118 17.939 56.200 37.916 1.00 0.00 H ATOM 1779 HB3 ASN A1118 17.694 54.676 38.763 1.00 0.00 H ATOM 1780 HD21 ASN A1118 21.158 54.222 39.389 1.00 0.00 H ATOM 1781 HD22 ASN A1118 19.549 53.517 39.519 1.00 0.00 H ATOM 1782 N TYR A1119 16.024 53.761 35.487 1.00 16.56 N ATOM 1783 CA TYR A1119 14.773 53.040 35.251 1.00 15.09 C ATOM 1784 C TYR A1119 14.532 52.795 33.756 1.00 15.02 C ATOM 1785 O TYR A1119 14.698 53.706 32.942 1.00 12.99 O ATOM 1786 CB TYR A1119 13.623 53.843 35.875 1.00 14.77 C ATOM 1787 CG TYR A1119 12.227 53.346 35.553 1.00 14.28 C ATOM 1788 CD1 TYR A1119 11.637 52.338 36.338 1.00 14.62 C ATOM 1789 CD2 TYR A1119 11.504 53.924 34.491 1.00 14.18 C ATOM 1790 CE1 TYR A1119 10.309 51.937 36.093 1.00 15.08 C ATOM 1791 CE2 TYR A1119 10.181 53.518 34.235 1.00 14.30 C ATOM 1792 CZ TYR A1119 9.574 52.543 35.051 1.00 14.71 C ATOM 1793 OH TYR A1119 8.273 52.207 34.848 1.00 14.94 O ATOM 1794 H TYR A1119 16.210 54.551 34.877 1.00 0.00 H ATOM 1795 HA TYR A1119 14.816 52.068 35.741 1.00 0.00 H ATOM 1796 HB2 TYR A1119 13.699 54.876 35.534 1.00 0.00 H ATOM 1797 HB3 TYR A1119 13.752 53.847 36.958 1.00 0.00 H ATOM 1798 HD1 TYR A1119 12.199 51.887 37.145 1.00 0.00 H ATOM 1799 HD2 TYR A1119 11.951 54.709 33.894 1.00 0.00 H ATOM 1800 HE1 TYR A1119 9.853 51.181 36.712 1.00 0.00 H ATOM 1801 HE2 TYR A1119 9.615 53.974 33.439 1.00 0.00 H ATOM 1802 HH TYR A1119 8.017 51.455 35.383 1.00 0.00 H ATOM 1803 N MET A1120 13.987 51.617 33.438 1.00 14.72 N ATOM 1804 CA MET A1120 13.450 51.247 32.128 1.00 15.81 C ATOM 1805 C MET A1120 12.096 50.545 32.300 1.00 16.28 C ATOM 1806 O MET A1120 11.982 49.624 33.109 1.00 17.33 O ATOM 1807 CB MET A1120 14.462 50.353 31.384 1.00 18.20 C ATOM 1808 CG MET A1120 13.961 49.823 30.028 1.00 23.40 C ATOM 1809 SD MET A1120 14.968 48.503 29.300 1.00 29.76 S ATOM 1810 CE MET A1120 14.336 47.083 30.232 1.00 30.23 C ATOM 1811 H MET A1120 13.833 50.946 34.187 1.00 0.00 H ATOM 1812 HA MET A1120 13.300 52.152 31.548 1.00 0.00 H ATOM 1813 HB2 MET A1120 15.376 50.921 31.211 1.00 0.00 H ATOM 1814 HB3 MET A1120 14.707 49.504 32.023 1.00 0.00 H ATOM 1815 HG2 MET A1120 12.953 49.426 30.130 1.00 0.00 H ATOM 1816 HG3 MET A1120 13.921 50.656 29.326 1.00 0.00 H ATOM 1817 HE1 MET A1120 14.906 46.194 29.966 1.00 0.00 H ATOM 1818 HE2 MET A1120 14.435 47.266 31.300 1.00 0.00 H ATOM 1819 HE3 MET A1120 13.284 46.926 29.991 1.00 0.00 H ATOM 1820 N ALA A1121 11.150 50.794 31.393 1.00 15.61 N ATOM 1821 CA ALA A1121 9.969 49.946 31.228 1.00 14.36 C ATOM 1822 C ALA A1121 9.503 49.876 29.772 1.00 15.09 C ATOM 1823 O ALA A1121 9.061 50.877 29.208 1.00 14.81 O ATOM 1824 CB ALA A1121 8.855 50.439 32.155 1.00 15.97 C ATOM 1825 H ALA A1121 11.312 51.543 30.726 1.00 0.00 H ATOM 1826 HA ALA A1121 10.220 48.930 31.529 1.00 0.00 H ATOM 1827 HB1 ALA A1121 7.950 49.852 31.991 1.00 0.00 H ATOM 1828 HB2 ALA A1121 8.637 51.490 31.963 1.00 0.00 H ATOM 1829 HB3 ALA A1121 9.174 50.320 33.189 1.00 0.00 H ATOM 1830 N ALA A1122 9.474 48.667 29.213 1.00 12.84 N ATOM 1831 CA ALA A1122 8.750 48.374 27.982 1.00 13.95 C ATOM 1832 C ALA A1122 7.272 48.061 28.261 1.00 14.02 C ATOM 1833 O ALA A1122 6.975 47.354 29.225 1.00 14.05 O ATOM 1834 CB ALA A1122 9.440 47.210 27.271 1.00 14.66 C ATOM 1835 H ALA A1122 9.797 47.878 29.763 1.00 0.00 H ATOM 1836 HA ALA A1122 8.800 49.247 27.337 1.00 0.00 H ATOM 1837 HB1 ALA A1122 8.954 47.026 26.311 1.00 0.00 H ATOM 1838 HB2 ALA A1122 10.484 47.468 27.102 1.00 0.00 H ATOM 1839 HB3 ALA A1122 9.382 46.313 27.886 1.00 0.00 H ATOM 1840 N ASP A1123 6.383 48.391 27.322 1.00 15.60 N ATOM 1841 CA ASP A1123 5.030 47.816 27.244 1.00 17.94 C ATOM 1842 C ASP A1123 4.407 47.968 25.842 1.00 18.84 C ATOM 1843 O ASP A1123 4.974 48.604 24.950 1.00 18.91 O ATOM 1844 CB ASP A1123 4.105 48.413 28.327 1.00 21.28 C ATOM 1845 CG ASP A1123 3.087 47.396 28.872 1.00 25.74 C ATOM 1846 OD1 ASP A1123 2.842 46.339 28.236 1.00 27.86 O ATOM 1847 OD2 ASP A1123 2.744 47.518 30.070 1.00 28.79 O ATOM 1848 H ASP A1123 6.709 48.914 26.513 1.00 0.00 H ATOM 1849 HA ASP A1123 5.124 46.747 27.438 1.00 0.00 H ATOM 1850 HB2 ASP A1123 4.697 48.794 29.160 1.00 0.00 H ATOM 1851 HB3 ASP A1123 3.569 49.268 27.912 1.00 0.00 H ATOM 1852 N GLY A1124 3.230 47.372 25.649 1.00 20.04 N ATOM 1853 CA GLY A1124 2.560 47.277 24.355 1.00 20.04 C ATOM 1854 C GLY A1124 3.178 46.205 23.460 1.00 20.22 C ATOM 1855 O GLY A1124 3.646 45.163 23.928 1.00 19.57 O ATOM 1856 H GLY A1124 2.844 46.846 26.426 1.00 0.00 H ATOM 1857 HA2 GLY A1124 1.507 47.034 24.492 1.00 0.00 H ATOM 1858 HA3 GLY A1124 2.615 48.240 23.846 1.00 0.00 H ATOM 1859 N ASP A1125 3.117 46.445 22.156 1.00 20.57 N ATOM 1860 CA ASP A1125 3.175 45.413 21.116 1.00 21.95 C ATOM 1861 C ASP A1125 4.595 44.943 20.731 1.00 21.73 C ATOM 1862 O ASP A1125 4.874 44.674 19.562 1.00 20.88 O ATOM 1863 CB ASP A1125 2.348 45.905 19.918 1.00 23.78 C ATOM 1864 CG ASP A1125 0.911 46.287 20.293 1.00 26.99 C ATOM 1865 OD1 ASP A1125 0.364 45.719 21.263 1.00 26.92 O ATOM 1866 OD2 ASP A1125 0.345 47.120 19.556 1.00 28.68 O ATOM 1867 H ASP A1125 2.662 47.312 21.884 1.00 0.00 H ATOM 1868 HA ASP A1125 2.663 44.531 21.506 1.00 0.00 H ATOM 1869 HB2 ASP A1125 2.306 45.122 19.167 1.00 0.00 H ATOM 1870 HB3 ASP A1125 2.849 46.770 19.477 1.00 0.00 H ATOM 1871 N PHE A1126 5.512 44.851 21.704 1.00 21.27 N ATOM 1872 CA PHE A1126 6.929 44.530 21.493 1.00 22.05 C ATOM 1873 C PHE A1126 7.482 43.616 22.592 1.00 22.29 C ATOM 1874 O PHE A1126 7.825 44.030 23.704 1.00 24.13 O ATOM 1875 CB PHE A1126 7.708 45.839 21.360 1.00 20.65 C ATOM 1876 CG PHE A1126 9.203 45.739 21.139 1.00 20.18 C ATOM 1877 CD1 PHE A1126 9.706 45.269 19.911 1.00 19.87 C ATOM 1878 CD2 PHE A1126 10.091 46.247 22.107 1.00 20.36 C ATOM 1879 CE1 PHE A1126 11.085 45.338 19.641 1.00 19.80 C ATOM 1880 CE2 PHE A1126 11.468 46.312 21.837 1.00 20.44 C ATOM 1881 CZ PHE A1126 11.966 45.871 20.599 1.00 19.17 C ATOM 1882 H PHE A1126 5.200 45.070 22.645 1.00 0.00 H ATOM 1883 HA PHE A1126 7.033 43.999 20.545 1.00 0.00 H ATOM 1884 HB2 PHE A1126 7.295 46.363 20.502 1.00 0.00 H ATOM 1885 HB3 PHE A1126 7.524 46.442 22.250 1.00 0.00 H ATOM 1886 HD1 PHE A1126 9.029 44.899 19.155 1.00 0.00 H ATOM 1887 HD2 PHE A1126 9.707 46.634 23.040 1.00 0.00 H ATOM 1888 HE1 PHE A1126 11.466 45.002 18.687 1.00 0.00 H ATOM 1889 HE2 PHE A1126 12.137 46.745 22.563 1.00 0.00 H ATOM 1890 HZ PHE A1126 13.022 45.957 20.375 1.00 0.00 H ATOM 1891 N LYS A1127 7.573 42.323 22.276 1.00 22.30 N ATOM 1892 CA LYS A1127 8.136 41.285 23.136 1.00 23.51 C ATOM 1893 C LYS A1127 9.663 41.349 23.099 1.00 21.34 C ATOM 1894 O LYS A1127 10.287 40.710 22.258 1.00 21.47 O ATOM 1895 CB LYS A1127 7.575 39.931 22.660 1.00 24.55 C ATOM 1896 CG LYS A1127 8.121 38.699 23.397 1.00 28.10 C ATOM 1897 CD LYS A1127 7.875 38.733 24.914 1.00 32.00 C ATOM 1898 CE LYS A1127 8.448 37.487 25.599 1.00 33.78 C ATOM 1899 NZ LYS A1127 7.791 36.245 25.119 1.00 36.36 N ATOM 1900 H LYS A1127 7.350 42.072 21.313 1.00 0.00 H ATOM 1901 HA LYS A1127 7.808 41.473 24.159 1.00 0.00 H ATOM 1902 HB2 LYS A1127 6.489 39.947 22.764 1.00 0.00 H ATOM 1903 HB3 LYS A1127 7.797 39.809 21.598 1.00 0.00 H ATOM 1904 HG2 LYS A1127 7.635 37.821 22.969 1.00 0.00 H ATOM 1905 HG3 LYS A1127 9.191 38.604 23.217 1.00 0.00 H ATOM 1906 HD2 LYS A1127 6.805 38.813 25.112 1.00 0.00 H ATOM 1907 HD3 LYS A1127 8.372 39.605 25.342 1.00 0.00 H ATOM 1908 HE2 LYS A1127 9.525 37.456 25.402 1.00 0.00 H ATOM 1909 HE3 LYS A1127 8.312 37.594 26.680 1.00 0.00 H ATOM 1910 HZ1 LYS A1127 8.184 35.433 25.575 1.00 0.00 H ATOM 1911 HZ2 LYS A1127 6.797 36.278 25.308 1.00 0.00 H ATOM 1912 HZ3 LYS A1127 7.916 36.154 24.117 1.00 0.00 H ATOM 1913 N ILE A1128 10.275 41.993 24.094 1.00 20.72 N ATOM 1914 CA ILE A1128 11.735 41.971 24.286 1.00 19.79 C ATOM 1915 C ILE A1128 12.268 40.525 24.350 1.00 19.47 C ATOM 1916 O ILE A1128 11.657 39.642 24.962 1.00 19.63 O ATOM 1917 CB ILE A1128 12.141 42.837 25.504 1.00 20.89 C ATOM 1918 CG1 ILE A1128 11.994 44.325 25.106 1.00 21.74 C ATOM 1919 CG2 ILE A1128 13.573 42.551 25.995 1.00 18.95 C ATOM 1920 CD1 ILE A1128 12.235 45.325 26.242 1.00 24.16 C ATOM 1921 H ILE A1128 9.709 42.582 24.687 1.00 0.00 H ATOM 1922 HA ILE A1128 12.188 42.431 23.407 1.00 0.00 H ATOM 1923 HB ILE A1128 11.459 42.619 26.329 1.00 0.00 H ATOM 1924 HG12 ILE A1128 12.691 44.549 24.297 1.00 0.00 H ATOM 1925 HG13 ILE A1128 10.985 44.499 24.732 1.00 0.00 H ATOM 1926 HG21 ILE A1128 13.687 41.508 26.289 1.00 0.00 H ATOM 1927 HG22 ILE A1128 14.298 42.797 25.217 1.00 0.00 H ATOM 1928 HG23 ILE A1128 13.788 43.145 26.880 1.00 0.00 H ATOM 1929 HD11 ILE A1128 13.262 45.273 26.602 1.00 0.00 H ATOM 1930 HD12 ILE A1128 11.547 45.124 27.061 1.00 0.00 H ATOM 1931 HD13 ILE A1128 12.061 46.332 25.867 1.00 0.00 H ATOM 1932 N LYS A1129 13.399 40.297 23.669 1.00 17.55 N ATOM 1933 CA LYS A1129 14.105 39.011 23.529 1.00 18.21 C ATOM 1934 C LYS A1129 15.506 39.060 24.134 1.00 16.47 C ATOM 1935 O LYS A1129 15.905 38.087 24.766 1.00 15.01 O ATOM 1936 CB LYS A1129 14.155 38.573 22.052 1.00 21.19 C ATOM 1937 CG LYS A1129 12.779 38.381 21.387 1.00 25.69 C ATOM 1938 CD LYS A1129 11.835 37.420 22.127 1.00 30.09 C ATOM 1939 CE LYS A1129 12.291 35.956 22.062 1.00 32.33 C ATOM 1940 NZ LYS A1129 11.925 35.339 20.767 1.00 35.29 N ATOM 1941 H LYS A1129 13.808 41.105 23.205 1.00 0.00 H ATOM 1942 HA LYS A1129 13.585 38.253 24.113 1.00 0.00 H ATOM 1943 HB2 LYS A1129 14.708 39.321 21.480 1.00 0.00 H ATOM 1944 HB3 LYS A1129 14.708 37.635 21.984 1.00 0.00 H ATOM 1945 HG2 LYS A1129 12.931 38.025 20.367 1.00 0.00 H ATOM 1946 HG3 LYS A1129 12.289 39.349 21.315 1.00 0.00 H ATOM 1947 HD2 LYS A1129 11.746 37.721 23.167 1.00 0.00 H ATOM 1948 HD3 LYS A1129 10.837 37.518 21.701 1.00 0.00 H ATOM 1949 HE2 LYS A1129 11.802 35.409 22.870 1.00 0.00 H ATOM 1950 HE3 LYS A1129 13.372 35.906 22.219 1.00 0.00 H ATOM 1951 HZ1 LYS A1129 10.950 35.540 20.518 1.00 0.00 H ATOM 1952 HZ2 LYS A1129 12.337 35.821 19.962 1.00 0.00 H ATOM 1953 HZ3 LYS A1129 12.113 34.355 20.683 1.00 0.00 H ATOM 1954 N CYS A1130 16.239 40.214 23.993 1.00 15.23 N ATOM 1955 CA CYS A1130 17.396 40.518 24.840 1.00 17.09 C ATOM 1956 C CYS A1130 17.473 42.034 25.040 1.00 15.51 C ATOM 1957 O CYS A1130 16.944 42.845 24.297 1.00 13.82 O ATOM 1958 CB CYS A1130 18.720 39.919 24.299 1.00 21.15 C ATOM 1959 SG CYS A1130 19.097 40.350 22.541 1.00 27.52 S ATOM 1960 H CYS A1130 15.815 40.981 23.484 1.00 0.00 H ATOM 1961 HA CYS A1130 17.218 40.087 25.834 1.00 0.00 H ATOM 1962 HB2 CYS A1130 19.562 40.237 24.926 1.00 0.00 H ATOM 1963 HB3 CYS A1130 18.656 38.825 24.360 1.00 0.00 H ATOM 1964 N VAL A1131 18.237 42.424 26.116 1.00 14.09 N ATOM 1965 CA VAL A1131 18.728 43.768 26.423 1.00 13.77 C ATOM 1966 C VAL A1131 20.223 43.665 26.701 1.00 13.78 C ATOM 1967 O VAL A1131 20.670 42.651 27.241 1.00 13.40 O ATOM 1968 CB VAL A1131 17.978 44.414 27.610 1.00 14.66 C ATOM 1969 CG1 VAL A1131 18.433 45.848 27.914 1.00 15.24 C ATOM 1970 CG2 VAL A1131 16.469 44.472 27.337 1.00 13.62 C ATOM 1971 H VAL A1131 18.698 41.687 26.638 1.00 0.00 H ATOM 1972 HA VAL A1131 18.583 44.392 25.546 1.00 0.00 H ATOM 1973 HB VAL A1131 18.141 43.808 28.503 1.00 0.00 H ATOM 1974 HG11 VAL A1131 18.302 46.483 27.040 1.00 0.00 H ATOM 1975 HG12 VAL A1131 17.852 46.261 28.737 1.00 0.00 H ATOM 1976 HG13 VAL A1131 19.482 45.867 28.207 1.00 0.00 H ATOM 1977 HG21 VAL A1131 16.074 43.461 27.276 1.00 0.00 H ATOM 1978 HG22 VAL A1131 15.966 44.997 28.147 1.00 0.00 H ATOM 1979 HG23 VAL A1131 16.287 44.995 26.400 1.00 0.00 H ATOM 1980 N ALA A1132 20.981 44.682 26.315 1.00 14.82 N ATOM 1981 CA ALA A1132 22.353 44.876 26.760 1.00 15.33 C ATOM 1982 C ALA A1132 22.609 46.358 27.097 1.00 19.11 C ATOM 1983 O ALA A1132 21.725 47.206 26.923 1.00 16.73 O ATOM 1984 CB ALA A1132 23.315 44.267 25.736 1.00 15.87 C ATOM 1985 H ALA A1132 20.527 45.494 25.907 1.00 0.00 H ATOM 1986 HA ALA A1132 22.495 44.329 27.693 1.00 0.00 H ATOM 1987 HB1 ALA A1132 24.308 44.187 26.180 1.00 0.00 H ATOM 1988 HB2 ALA A1132 23.379 44.906 24.857 1.00 0.00 H ATOM 1989 HB3 ALA A1132 22.991 43.267 25.459 1.00 0.00 H ATOM 1990 N PHE A1133 23.689 46.581 27.829 1.00 22.42 N ATOM 1991 CA PHE A1133 24.025 47.821 28.515 1.00 27.44 C ATOM 1992 C PHE A1133 25.486 48.092 28.138 1.00 30.68 C ATOM 1993 O PHE A1133 26.356 47.339 28.575 1.00 30.98 O ATOM 1994 CB PHE A1133 23.770 47.662 30.028 1.00 27.04 C ATOM 1995 CG PHE A1133 22.374 47.169 30.411 1.00 27.95 C ATOM 1996 CD1 PHE A1133 22.097 45.787 30.437 1.00 27.84 C ATOM 1997 CD2 PHE A1133 21.355 48.082 30.746 1.00 27.68 C ATOM 1998 CE1 PHE A1133 20.812 45.321 30.770 1.00 28.88 C ATOM 1999 CE2 PHE A1133 20.071 47.616 31.091 1.00 28.37 C ATOM 2000 CZ PHE A1133 19.798 46.237 31.098 1.00 28.87 C ATOM 2001 H PHE A1133 24.475 45.958 27.672 1.00 0.00 H ATOM 2002 HA PHE A1133 23.409 48.636 28.137 1.00 0.00 H ATOM 2003 HB2 PHE A1133 24.499 46.956 30.433 1.00 0.00 H ATOM 2004 HB3 PHE A1133 23.950 48.626 30.508 1.00 0.00 H ATOM 2005 HD1 PHE A1133 22.877 45.083 30.184 1.00 0.00 H ATOM 2006 HD2 PHE A1133 21.559 49.142 30.731 1.00 0.00 H ATOM 2007 HE1 PHE A1133 20.607 44.260 30.766 1.00 0.00 H ATOM 2008 HE2 PHE A1133 19.291 48.321 31.331 1.00 0.00 H ATOM 2009 HZ PHE A1133 18.808 45.882 31.347 1.00 0.00 H ATOM 2010 N ASP A1134 25.591 48.802 27.008 1.00 34.91 N ATOM 2011 CA ASP A1134 26.391 48.509 25.795 1.00 38.68 C ATOM 2012 C ASP A1134 26.022 47.229 25.007 1.00 40.12 C ATOM 2013 O ASP A1134 25.589 46.232 25.624 1.00 40.74 O ATOM 2014 CB ASP A1134 27.902 48.720 26.040 1.00 41.23 C ATOM 2015 CG ASP A1134 28.328 50.181 26.325 1.00 43.86 C ATOM 2016 OD1 ASP A1134 29.561 50.375 26.454 1.00 46.31 O ATOM 2017 OD2 ASP A1134 27.499 51.114 26.143 1.00 46.25 O ATOM 2018 OXT ASP A1134 25.777 47.361 23.779 1.00 41.42 O ATOM 2019 H ASP A1134 24.810 49.403 26.805 1.00 0.00 H ATOM 2020 HA ASP A1134 26.128 49.304 25.097 1.00 0.00 H ATOM 2021 HB2 ASP A1134 28.220 48.093 26.875 1.00 0.00 H ATOM 2022 HB3 ASP A1134 28.438 48.372 25.156 1.00 0.00 H TER 2023 ASP A1134 HETATM 2024 C2 BGC C 1 -1.855 63.830 21.616 1.00 29.25 C HETATM 2025 C3 BGC C 1 -1.560 62.344 21.937 1.00 28.48 C HETATM 2026 C4 BGC C 1 -1.494 62.099 23.464 1.00 28.22 C HETATM 2027 C5 BGC C 1 -2.829 62.588 24.088 1.00 30.31 C HETATM 2028 C6 BGC C 1 -2.957 62.421 25.620 1.00 31.21 C HETATM 2029 C1 BGC C 1 -3.103 64.331 22.388 1.00 31.16 C HETATM 2030 O1 BGC C 1 -3.208 65.748 22.328 1.00 33.78 O HETATM 2031 O2 BGC C 1 -2.085 63.962 20.210 1.00 29.64 O HETATM 2032 O3 BGC C 1 -0.350 61.956 21.302 1.00 25.59 O HETATM 2033 O4 BGC C 1 -1.363 60.677 23.700 1.00 26.46 O HETATM 2034 O5 BGC C 1 -3.005 63.989 23.784 1.00 31.45 O HETATM 2035 O6 BGC C 1 -1.864 63.008 26.331 1.00 32.95 O HETATM 2036 H2 BGC C 1 -0.989 64.436 21.914 1.00 0.00 H HETATM 2037 H3 BGC C 1 -2.382 61.739 21.531 1.00 0.00 H HETATM 2038 H4 BGC C 1 -0.644 62.654 23.884 1.00 0.00 H HETATM 2039 H5 BGC C 1 -3.648 62.020 23.627 1.00 0.00 H HETATM 2040 H62 BGC C 1 -3.026 61.351 25.855 1.00 0.00 H HETATM 2041 H63 BGC C 1 -3.899 62.885 25.937 1.00 0.00 H HETATM 2042 H1 BGC C 1 -4.005 63.877 21.958 1.00 0.00 H HETATM 2043 HO3 BGC C 1 0.413 62.372 21.767 1.00 0.00 H HETATM 2044 HO2 BGC C 1 -1.277 63.647 19.763 1.00 0.00 H HETATM 2045 HO1 BGC C 1 -3.838 66.004 23.021 1.00 0.00 H HETATM 2046 HO6 BGC C 1 -2.153 63.146 27.249 1.00 0.00 H HETATM 2047 C1 GAL C 2 -0.533 60.298 24.818 1.00 23.90 C HETATM 2048 C2 GAL C 2 -0.819 58.817 25.168 1.00 23.84 C HETATM 2049 C3 GAL C 2 0.213 58.279 26.192 1.00 22.50 C HETATM 2050 C4 GAL C 2 1.664 58.579 25.755 1.00 20.56 C HETATM 2051 C5 GAL C 2 1.813 60.094 25.468 1.00 20.26 C HETATM 2052 C6 GAL C 2 3.238 60.471 25.011 1.00 18.91 C HETATM 2053 O2 GAL C 2 -2.124 58.707 25.748 1.00 25.45 O HETATM 2054 O3 GAL C 2 0.053 56.872 26.402 1.00 22.65 O HETATM 2055 O4 GAL C 2 2.002 57.789 24.606 1.00 18.78 O HETATM 2056 O5 GAL C 2 0.852 60.463 24.450 1.00 21.89 O HETATM 2057 O6 GAL C 2 3.349 61.881 24.858 1.00 15.81 O HETATM 2058 H1 GAL C 2 -0.752 60.923 25.689 1.00 0.00 H HETATM 2059 H2 GAL C 2 -0.755 58.232 24.243 1.00 0.00 H HETATM 2060 H3 GAL C 2 0.039 58.802 27.140 1.00 0.00 H HETATM 2061 H4 GAL C 2 2.336 58.315 26.581 1.00 0.00 H HETATM 2062 H5 GAL C 2 1.600 60.654 26.387 1.00 0.00 H HETATM 2063 H62 GAL C 2 3.953 60.129 25.769 1.00 0.00 H HETATM 2064 H63 GAL C 2 3.478 59.969 24.066 1.00 0.00 H HETATM 2065 HO6 GAL C 2 2.850 62.078 24.027 1.00 0.00 H HETATM 2066 HO4 GAL C 2 2.974 57.636 24.636 1.00 0.00 H HETATM 2067 HO2 GAL C 2 -2.296 57.757 25.870 1.00 0.00 H HETATM 2068 HO3 GAL C 2 0.526 56.440 25.665 1.00 0.00 H HETATM 2069 C1 BME A2137 19.857 48.505 15.949 1.00 32.03 C HETATM 2070 C2 BME A2137 20.887 49.643 16.054 1.00 30.76 C HETATM 2071 O1 BME A2137 20.504 47.248 15.752 1.00 34.71 O HETATM 2072 S2 BME A2137 22.240 49.267 17.254 1.00 31.19 S HETATM 2073 H12 BME A2137 19.173 48.717 15.117 1.00 0.00 H HETATM 2074 H13 BME A2137 19.261 48.488 16.866 1.00 0.00 H HETATM 2075 H22 BME A2137 20.371 50.552 16.383 1.00 0.00 H HETATM 2076 H23 BME A2137 21.327 49.824 15.066 1.00 0.00 H HETATM 2077 HO1 BME A2137 21.046 47.074 16.546 1.00 0.00 H HETATM 2078 C1 BME A2138 22.455 41.964 21.940 1.00 37.42 C HETATM 2079 C2 BME A2138 21.503 42.250 23.120 1.00 35.13 C HETATM 2080 O1 BME A2138 22.362 40.605 21.500 1.00 40.82 O HETATM 2081 S2 BME A2138 19.740 42.322 22.598 1.00 33.58 S HETATM 2082 H12 BME A2138 22.218 42.653 21.119 1.00 0.00 H HETATM 2083 H13 BME A2138 23.484 42.177 22.258 1.00 0.00 H HETATM 2084 H22 BME A2138 21.627 41.501 23.912 1.00 0.00 H HETATM 2085 H23 BME A2138 21.748 43.231 23.541 1.00 0.00 H HETATM 2086 HO1 BME A2138 22.731 40.057 22.219 1.00 0.00 H CONECT 198 197 199 211 CONECT 215 212 216 223 CONECT 212 215 213 211 219 CONECT 213 212 214 220 221 CONECT 218 211 CONECT 219 212 CONECT 220 213 CONECT 221 213 CONECT 222 217 CONECT 211 212 198 218 CONECT 216 215 CONECT 217 214 222 CONECT 214 213 217 CONECT 223 215 224 231 CONECT 1288 1287 2072 CONECT 1959 2081 1958 CONECT 2029 2034 2024 2030 2042 CONECT 2024 2029 2031 2025 2036 CONECT 2025 2032 2026 2024 2037 CONECT 2026 2027 2033 2025 2038 CONECT 2027 2034 2026 2028 2039 CONECT 2028 2027 2035 2041 2040 CONECT 2042 2029 CONECT 2036 2024 CONECT 2037 2025 CONECT 2038 2026 CONECT 2039 2027 CONECT 2040 2028 CONECT 2041 2028 CONECT 2045 2030 CONECT 2044 2031 CONECT 2043 2032 CONECT 2046 2035 CONECT 2030 2029 2045 CONECT 2031 2024 2044 CONECT 2032 2025 2043 CONECT 2033 2047 2026 CONECT 2034 2029 2027 CONECT 2035 2028 2046 CONECT 2047 2056 2033 2048 2058 CONECT 2048 2049 2047 2053 2059 CONECT 2049 2054 2048 2050 2060 CONECT 2050 2049 2055 2051 2061 CONECT 2051 2052 2056 2050 2062 CONECT 2052 2057 2051 2064 2063 CONECT 2058 2047 CONECT 2059 2048 CONECT 2060 2049 CONECT 2061 2050 CONECT 2062 2051 CONECT 2063 2052 CONECT 2064 2052 CONECT 2067 2053 CONECT 2068 2054 CONECT 2066 2055 CONECT 2065 2057 CONECT 2053 2048 2067 CONECT 2054 2068 2049 CONECT 2055 2050 2066 CONECT 2056 2047 2051 CONECT 2057 2052 2065 CONECT 2069 2071 2070 2074 2073 CONECT 2070 2072 2069 2075 2076 CONECT 2073 2069 CONECT 2074 2069 CONECT 2075 2070 CONECT 2076 2070 CONECT 2077 2071 CONECT 2071 2069 2077 CONECT 2072 1288 2070 CONECT 2078 2080 2079 2083 2082 CONECT 2079 2078 2081 2085 2084 CONECT 2082 2078 CONECT 2083 2078 CONECT 2084 2079 CONECT 2085 2079 CONECT 2086 2080 CONECT 2080 2086 2078 CONECT 2081 2079 1959 END If you find results from this site helpful for your research, please cite one of our papers:
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