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*** opt_a ***elNémo ID: 2404032043392226964Job options:ID = 2404032043392226964 JOBID = opt_a 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 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 2.104 43.940 28.353 1.00 44.07 N ATOM 2 CA ALA A1001 1.270 42.969 29.092 1.00 43.70 C ATOM 3 C ALA A1001 1.418 42.939 30.635 1.00 42.91 C ATOM 4 O ALA A1001 0.609 42.262 31.252 1.00 43.72 O ATOM 5 CB ALA A1001 1.482 41.561 28.513 1.00 43.69 C ATOM 6 HA ALA A1001 0.230 43.234 28.909 1.00 0.00 H ATOM 7 HB1 ALA A1001 0.784 40.861 28.975 1.00 0.00 H ATOM 8 HB2 ALA A1001 2.499 41.219 28.708 1.00 0.00 H ATOM 9 HB3 ALA A1001 1.305 41.567 27.437 1.00 0.00 H ATOM 10 H1 ALA A1001 1.880 43.934 27.369 1.00 0.00 H ATOM 11 H2 ALA A1001 1.986 44.892 28.689 1.00 0.00 H ATOM 12 H3 ALA A1001 3.080 43.698 28.459 1.00 0.00 H ATOM 13 N SER A1002 2.332 43.595 31.363 1.00 40.89 N ATOM 14 CA SER A1002 3.375 44.560 30.980 1.00 37.86 C ATOM 15 C SER A1002 4.535 43.937 30.179 1.00 34.79 C ATOM 16 O SER A1002 4.368 42.825 29.670 1.00 35.30 O ATOM 17 CB SER A1002 3.860 45.315 32.224 1.00 38.22 C ATOM 18 OG SER A1002 4.556 46.478 31.840 1.00 40.67 O ATOM 19 H SER A1002 2.257 43.405 32.353 1.00 0.00 H ATOM 20 HA SER A1002 2.901 45.301 30.356 1.00 0.00 H ATOM 21 HB2 SER A1002 4.512 44.673 32.818 1.00 0.00 H ATOM 22 HB3 SER A1002 3.001 45.611 32.829 1.00 0.00 H ATOM 23 HG SER A1002 3.941 47.048 31.312 1.00 0.00 H ATOM 24 N GLY A1003 5.491 44.747 29.731 1.00 30.01 N ATOM 25 CA GLY A1003 6.712 44.264 29.081 1.00 23.13 C ATOM 26 C GLY A1003 7.800 43.944 30.109 1.00 18.77 C ATOM 27 O GLY A1003 7.510 43.474 31.209 1.00 16.97 O ATOM 28 H GLY A1003 5.526 45.686 30.123 1.00 0.00 H ATOM 29 HA2 GLY A1003 6.508 43.363 28.504 1.00 0.00 H ATOM 30 HA3 GLY A1003 7.078 45.023 28.392 1.00 0.00 H ATOM 31 N LEU A1004 9.067 44.157 29.743 1.00 17.65 N ATOM 32 CA LEU A1004 10.171 44.128 30.705 1.00 17.57 C ATOM 33 C LEU A1004 10.285 45.482 31.421 1.00 17.44 C ATOM 34 O LEU A1004 10.587 46.492 30.784 1.00 14.45 O ATOM 35 CB LEU A1004 11.474 43.728 29.988 1.00 20.18 C ATOM 36 CG LEU A1004 12.726 43.715 30.888 1.00 21.52 C ATOM 37 CD1 LEU A1004 12.617 42.705 32.032 1.00 23.61 C ATOM 38 CD2 LEU A1004 13.944 43.344 30.044 1.00 22.91 C ATOM 39 H LEU A1004 9.233 44.612 28.860 1.00 0.00 H ATOM 40 HA LEU A1004 9.957 43.364 31.455 1.00 0.00 H ATOM 41 HB2 LEU A1004 11.649 44.435 29.178 1.00 0.00 H ATOM 42 HB3 LEU A1004 11.342 42.737 29.551 1.00 0.00 H ATOM 43 HG LEU A1004 12.888 44.707 31.308 1.00 0.00 H ATOM 44 HD21 LEU A1004 14.046 44.051 29.223 1.00 0.00 H ATOM 45 HD22 LEU A1004 14.844 43.392 30.658 1.00 0.00 H ATOM 46 HD23 LEU A1004 13.835 42.336 29.644 1.00 0.00 H ATOM 47 HD11 LEU A1004 11.827 42.998 32.722 1.00 0.00 H ATOM 48 HD12 LEU A1004 12.415 41.708 31.643 1.00 0.00 H ATOM 49 HD13 LEU A1004 13.551 42.691 32.595 1.00 0.00 H ATOM 50 N VAL A1005 10.170 45.465 32.748 1.00 15.57 N ATOM 51 CA VAL A1005 10.570 46.564 33.639 1.00 15.57 C ATOM 52 C VAL A1005 11.930 46.237 34.258 1.00 16.40 C ATOM 53 O VAL A1005 12.168 45.093 34.643 1.00 16.72 O ATOM 54 CB VAL A1005 9.507 46.823 34.729 1.00 15.82 C ATOM 55 CG1 VAL A1005 9.876 48.007 35.636 1.00 17.24 C ATOM 56 CG2 VAL A1005 8.131 47.116 34.114 1.00 16.21 C ATOM 57 H VAL A1005 9.962 44.581 33.189 1.00 0.00 H ATOM 58 HA VAL A1005 10.678 47.477 33.059 1.00 0.00 H ATOM 59 HB VAL A1005 9.415 45.933 35.352 1.00 0.00 H ATOM 60 HG21 VAL A1005 7.774 46.254 33.550 1.00 0.00 H ATOM 61 HG22 VAL A1005 8.195 47.972 33.445 1.00 0.00 H ATOM 62 HG23 VAL A1005 7.407 47.328 34.900 1.00 0.00 H ATOM 63 HG11 VAL A1005 10.772 47.778 36.211 1.00 0.00 H ATOM 64 HG12 VAL A1005 9.068 48.201 36.341 1.00 0.00 H ATOM 65 HG13 VAL A1005 10.054 48.900 35.035 1.00 0.00 H ATOM 66 N ALA A1006 12.788 47.242 34.423 1.00 15.93 N ATOM 67 CA ALA A1006 14.046 47.152 35.156 1.00 16.11 C ATOM 68 C ALA A1006 14.349 48.469 35.894 1.00 17.19 C ATOM 69 O ALA A1006 13.915 49.549 35.488 1.00 17.93 O ATOM 70 CB ALA A1006 15.166 46.749 34.188 1.00 15.01 C ATOM 71 H ALA A1006 12.512 48.168 34.103 1.00 0.00 H ATOM 72 HA ALA A1006 13.956 46.369 35.911 1.00 0.00 H ATOM 73 HB1 ALA A1006 16.106 46.643 34.731 1.00 0.00 H ATOM 74 HB2 ALA A1006 15.283 47.512 33.418 1.00 0.00 H ATOM 75 HB3 ALA A1006 14.923 45.796 33.715 1.00 0.00 H ATOM 76 N SER A1007 15.111 48.386 36.982 1.00 17.05 N ATOM 77 CA SER A1007 15.436 49.515 37.857 1.00 19.20 C ATOM 78 C SER A1007 16.896 49.468 38.300 1.00 19.59 C ATOM 79 O SER A1007 17.587 48.471 38.108 1.00 17.66 O ATOM 80 CB SER A1007 14.492 49.528 39.067 1.00 21.33 C ATOM 81 OG SER A1007 14.699 48.408 39.905 1.00 28.68 O ATOM 82 H SER A1007 15.481 47.488 37.257 1.00 0.00 H ATOM 83 HA SER A1007 15.293 50.447 37.314 1.00 0.00 H ATOM 84 HB2 SER A1007 13.461 49.522 38.712 1.00 0.00 H ATOM 85 HB3 SER A1007 14.649 50.439 39.645 1.00 0.00 H ATOM 86 HG SER A1007 15.468 48.582 40.484 1.00 0.00 H ATOM 87 N ASN A1008 17.360 50.562 38.904 1.00 20.97 N ATOM 88 CA ASN A1008 18.728 50.736 39.393 1.00 22.43 C ATOM 89 C ASN A1008 19.800 50.712 38.277 1.00 22.63 C ATOM 90 O ASN A1008 20.976 50.551 38.586 1.00 22.38 O ATOM 91 CB ASN A1008 18.997 49.781 40.580 1.00 25.64 C ATOM 92 CG ASN A1008 17.891 49.783 41.623 1.00 28.26 C ATOM 93 OD1 ASN A1008 16.824 49.215 41.460 1.00 31.33 O ATOM 94 ND2 ASN A1008 18.042 50.545 42.678 1.00 29.35 N ATOM 95 H ASN A1008 16.765 51.382 38.881 1.00 0.00 H ATOM 96 HA ASN A1008 18.774 51.744 39.799 1.00 0.00 H ATOM 97 HB2 ASN A1008 19.111 48.764 40.208 1.00 0.00 H ATOM 98 HB3 ASN A1008 19.937 50.056 41.054 1.00 0.00 H ATOM 99 HD21 ASN A1008 18.903 51.020 42.846 1.00 0.00 H ATOM 100 HD22 ASN A1008 17.285 50.551 43.335 1.00 0.00 H ATOM 101 N LEU A1009 19.413 51.042 37.032 1.00 21.84 N ATOM 102 CA LEU A1009 20.230 50.910 35.808 1.00 23.08 C ATOM 103 C LEU A1009 21.580 51.651 35.825 1.00 24.30 C ATOM 104 O LEU A1009 22.469 51.268 35.075 1.00 25.08 O ATOM 105 CB LEU A1009 19.409 51.395 34.592 1.00 22.70 C ATOM 106 CG LEU A1009 18.628 50.300 33.852 1.00 24.00 C ATOM 107 CD1 LEU A1009 17.482 49.742 34.695 1.00 25.97 C ATOM 108 CD2 LEU A1009 18.029 50.874 32.567 1.00 24.25 C ATOM 109 H LEU A1009 18.424 51.193 36.899 1.00 0.00 H ATOM 110 HA LEU A1009 20.468 49.853 35.674 1.00 0.00 H ATOM 111 HB2 LEU A1009 18.713 52.174 34.893 1.00 0.00 H ATOM 112 HB3 LEU A1009 20.092 51.847 33.871 1.00 0.00 H ATOM 113 HG LEU A1009 19.303 49.487 33.586 1.00 0.00 H ATOM 114 HD21 LEU A1009 17.514 50.088 32.013 1.00 0.00 H ATOM 115 HD22 LEU A1009 18.827 51.269 31.936 1.00 0.00 H ATOM 116 HD23 LEU A1009 17.330 51.678 32.799 1.00 0.00 H ATOM 117 HD11 LEU A1009 16.903 49.045 34.094 1.00 0.00 H ATOM 118 HD12 LEU A1009 17.889 49.199 35.547 1.00 0.00 H ATOM 119 HD13 LEU A1009 16.833 50.547 35.036 1.00 0.00 H ATOM 120 N ASN A1010 21.733 52.703 36.637 1.00 24.63 N ATOM 121 CA ASN A1010 22.929 53.548 36.789 1.00 26.09 C ATOM 122 C ASN A1010 23.387 54.355 35.551 1.00 25.32 C ATOM 123 O ASN A1010 24.006 55.393 35.770 1.00 25.47 O ATOM 124 CB ASN A1010 24.061 52.706 37.422 1.00 27.63 C ATOM 125 CG ASN A1010 25.402 53.419 37.443 1.00 29.97 C ATOM 126 OD1 ASN A1010 25.631 54.325 38.235 1.00 30.45 O ATOM 127 ND2 ASN A1010 26.268 53.134 36.498 1.00 30.48 N ATOM 128 H ASN A1010 20.934 52.957 37.189 1.00 0.00 H ATOM 129 HA ASN A1010 22.671 54.313 37.519 1.00 0.00 H ATOM 130 HB2 ASN A1010 24.181 51.767 36.883 1.00 0.00 H ATOM 131 HB3 ASN A1010 23.793 52.461 38.449 1.00 0.00 H ATOM 132 HD21 ASN A1010 26.026 52.496 35.755 1.00 0.00 H ATOM 133 HD22 ASN A1010 27.115 53.670 36.430 1.00 0.00 H ATOM 134 N LEU A1011 23.078 53.922 34.325 1.00 24.75 N ATOM 135 CA LEU A1011 23.654 54.320 33.029 1.00 24.14 C ATOM 136 C LEU A1011 24.055 55.810 32.903 1.00 24.04 C ATOM 137 O LEU A1011 23.217 56.700 33.086 1.00 23.58 O ATOM 138 CB LEU A1011 22.630 53.917 31.950 1.00 25.42 C ATOM 139 CG LEU A1011 23.176 53.860 30.511 1.00 26.92 C ATOM 140 CD1 LEU A1011 23.860 52.520 30.235 1.00 28.63 C ATOM 141 CD2 LEU A1011 22.028 54.005 29.511 1.00 27.59 C ATOM 142 H LEU A1011 22.566 53.051 34.304 1.00 0.00 H ATOM 143 HA LEU A1011 24.547 53.718 32.880 1.00 0.00 H ATOM 144 HB2 LEU A1011 21.838 54.656 31.985 1.00 0.00 H ATOM 145 HB3 LEU A1011 22.184 52.952 32.198 1.00 0.00 H ATOM 146 HG LEU A1011 23.869 54.681 30.349 1.00 0.00 H ATOM 147 HD21 LEU A1011 22.423 53.942 28.496 1.00 0.00 H ATOM 148 HD22 LEU A1011 21.562 54.980 29.636 1.00 0.00 H ATOM 149 HD23 LEU A1011 21.292 53.218 29.667 1.00 0.00 H ATOM 150 HD11 LEU A1011 23.169 51.694 30.392 1.00 0.00 H ATOM 151 HD12 LEU A1011 24.718 52.404 30.898 1.00 0.00 H ATOM 152 HD13 LEU A1011 24.220 52.495 29.207 1.00 0.00 H ATOM 153 N LYS A1012 25.333 56.076 32.600 1.00 23.31 N ATOM 154 CA LYS A1012 25.980 57.407 32.571 1.00 24.70 C ATOM 155 C LYS A1012 26.112 58.016 31.168 1.00 23.69 C ATOM 156 O LYS A1012 26.023 57.302 30.170 1.00 21.95 O ATOM 157 CB LYS A1012 27.368 57.326 33.257 1.00 26.91 C ATOM 158 CG LYS A1012 27.388 57.923 34.673 1.00 31.82 C ATOM 159 CD LYS A1012 26.396 57.188 35.570 1.00 32.33 C ATOM 160 CE LYS A1012 26.279 57.777 36.970 1.00 34.81 C ATOM 161 NZ LYS A1012 25.248 57.018 37.711 1.00 33.13 N ATOM 162 H LYS A1012 25.924 55.266 32.394 1.00 0.00 H ATOM 163 HA LYS A1012 25.340 58.088 33.125 1.00 0.00 H ATOM 164 HB2 LYS A1012 28.112 57.857 32.661 1.00 0.00 H ATOM 165 HB3 LYS A1012 27.697 56.289 33.310 1.00 0.00 H ATOM 166 HG2 LYS A1012 27.124 58.980 34.629 1.00 0.00 H ATOM 167 HG3 LYS A1012 28.392 57.827 35.089 1.00 0.00 H ATOM 168 HD2 LYS A1012 25.410 57.267 35.118 1.00 0.00 H ATOM 169 HD3 LYS A1012 26.677 56.134 35.627 1.00 0.00 H ATOM 170 HE2 LYS A1012 27.245 57.725 37.477 1.00 0.00 H ATOM 171 HE3 LYS A1012 25.982 58.826 36.875 1.00 0.00 H ATOM 172 HZ1 LYS A1012 24.475 56.809 37.080 1.00 0.00 H ATOM 173 HZ2 LYS A1012 25.596 56.099 37.979 1.00 0.00 H ATOM 174 HZ3 LYS A1012 24.914 57.514 38.522 1.00 0.00 H ATOM 175 N PRO A1013 26.386 59.335 31.073 1.00 24.25 N ATOM 176 CA PRO A1013 26.575 60.005 29.794 1.00 24.51 C ATOM 177 C PRO A1013 27.748 59.419 28.990 1.00 24.19 C ATOM 178 O PRO A1013 28.904 59.545 29.389 1.00 24.81 O ATOM 179 CB PRO A1013 26.756 61.494 30.115 1.00 25.02 C ATOM 180 CG PRO A1013 26.027 61.648 31.448 1.00 24.58 C ATOM 181 CD PRO A1013 26.351 60.327 32.138 1.00 24.68 C ATOM 182 HA PRO A1013 25.647 59.885 29.245 1.00 0.00 H ATOM 183 HB2 PRO A1013 26.320 62.123 29.340 1.00 0.00 H ATOM 184 HB3 PRO A1013 27.811 61.734 30.254 1.00 0.00 H ATOM 185 HG2 PRO A1013 26.394 62.501 32.018 1.00 0.00 H ATOM 186 HG3 PRO A1013 24.952 61.722 31.278 1.00 0.00 H ATOM 187 HD2 PRO A1013 25.585 60.110 32.878 1.00 0.00 H ATOM 188 HD3 PRO A1013 27.332 60.386 32.611 1.00 0.00 H ATOM 189 N GLY A1014 27.441 58.859 27.821 1.00 23.56 N ATOM 190 CA GLY A1014 28.352 58.153 26.916 1.00 23.34 C ATOM 191 C GLY A1014 28.050 56.656 26.771 1.00 23.62 C ATOM 192 O GLY A1014 28.330 56.097 25.716 1.00 23.60 O ATOM 193 H GLY A1014 26.456 58.841 27.574 1.00 0.00 H ATOM 194 HA2 GLY A1014 28.290 58.606 25.928 1.00 0.00 H ATOM 195 HA3 GLY A1014 29.375 58.247 27.279 1.00 0.00 H ATOM 196 N GLU A1015 27.382 56.047 27.753 1.00 22.71 N ATOM 197 CA GLU A1015 26.969 54.635 27.741 1.00 23.58 C ATOM 198 C GLU A1015 25.677 54.420 26.912 1.00 22.91 C ATOM 199 O GLU A1015 24.901 55.364 26.688 1.00 22.00 O ATOM 200 CB GLU A1015 26.813 54.135 29.195 1.00 25.90 C ATOM 201 CG GLU A1015 28.056 54.354 30.092 1.00 29.69 C ATOM 202 CD GLU A1015 27.864 53.950 31.570 1.00 33.50 C ATOM 203 OE1 GLU A1015 28.802 54.206 32.360 1.00 35.14 O ATOM 204 OE2 GLU A1015 26.705 53.735 31.997 1.00 37.12 O ATOM 205 H GLU A1015 27.100 56.591 28.559 1.00 0.00 H ATOM 206 HA GLU A1015 27.753 54.037 27.268 1.00 0.00 H ATOM 207 HB2 GLU A1015 26.592 53.068 29.170 1.00 0.00 H ATOM 208 HB3 GLU A1015 25.967 54.654 29.638 1.00 0.00 H ATOM 209 HG2 GLU A1015 28.331 55.410 30.072 1.00 0.00 H ATOM 210 HG3 GLU A1015 28.888 53.785 29.671 1.00 0.00 H HETATM 211 N CSO A1016 25.402 53.150 26.433 1.00 23.00 N HETATM 212 CA CSO A1016 24.355 52.887 25.430 1.00 22.50 C HETATM 213 CB CSO A1016 24.977 52.673 24.032 1.00 24.89 C HETATM 214 SG CSO A1016 23.673 52.317 22.769 1.00 30.68 S HETATM 215 C CSO A1016 23.482 51.693 25.835 1.00 20.62 C HETATM 216 O CSO A1016 23.857 50.538 25.763 1.00 19.61 O HETATM 217 OD CSO A1016 23.813 50.634 22.670 1.00 23.93 O HETATM 218 H CSO A1016 26.114 52.432 26.570 1.00 0.00 H HETATM 219 HA CSO A1016 23.691 53.753 25.380 1.00 0.00 H HETATM 220 HB2 CSO A1016 25.698 51.845 24.060 1.00 0.00 H HETATM 221 HB3 CSO A1016 25.513 53.584 23.737 1.00 0.00 H HETATM 222 HD CSO A1016 23.502 50.270 23.522 1.00 0.00 H ATOM 223 N LEU A1017 22.146 51.974 26.054 1.00 18.10 N ATOM 224 CA LEU A1017 21.149 50.923 26.241 1.00 15.99 C ATOM 225 C LEU A1017 20.790 50.264 24.899 1.00 15.39 C ATOM 226 O LEU A1017 20.259 50.914 23.996 1.00 13.71 O ATOM 227 CB LEU A1017 19.916 51.507 26.944 1.00 18.01 C ATOM 228 CG LEU A1017 18.844 50.446 27.249 1.00 19.35 C ATOM 229 CD1 LEU A1017 19.234 49.552 28.424 1.00 21.78 C ATOM 230 CD2 LEU A1017 17.537 51.135 27.606 1.00 22.73 C ATOM 231 H LEU A1017 21.842 52.937 25.927 1.00 0.00 H ATOM 232 HA LEU A1017 21.584 50.163 26.891 1.00 0.00 H ATOM 233 HB2 LEU A1017 19.488 52.271 26.294 1.00 0.00 H ATOM 234 HB3 LEU A1017 20.222 51.991 27.871 1.00 0.00 H ATOM 235 HG LEU A1017 18.664 49.823 26.375 1.00 0.00 H ATOM 236 HD21 LEU A1017 16.771 50.387 27.808 1.00 0.00 H ATOM 237 HD22 LEU A1017 17.687 51.757 28.488 1.00 0.00 H ATOM 238 HD23 LEU A1017 17.215 51.754 26.770 1.00 0.00 H ATOM 239 HD11 LEU A1017 18.428 48.852 28.640 1.00 0.00 H ATOM 240 HD12 LEU A1017 19.436 50.159 29.306 1.00 0.00 H ATOM 241 HD13 LEU A1017 20.126 48.977 28.175 1.00 0.00 H ATOM 242 N ARG A1018 20.912 48.937 24.827 1.00 13.82 N ATOM 243 CA ARG A1018 20.562 48.122 23.655 1.00 13.99 C ATOM 244 C ARG A1018 19.294 47.321 23.926 1.00 13.90 C ATOM 245 O ARG A1018 19.301 46.466 24.806 1.00 12.49 O ATOM 246 CB ARG A1018 21.768 47.220 23.364 1.00 17.15 C ATOM 247 CG ARG A1018 21.583 46.336 22.123 1.00 22.93 C ATOM 248 CD ARG A1018 22.802 45.429 21.868 1.00 26.46 C ATOM 249 NE ARG A1018 24.068 46.187 21.835 1.00 30.40 N ATOM 250 CZ ARG A1018 24.387 47.126 20.965 1.00 32.13 C ATOM 251 NH1 ARG A1018 25.315 47.980 21.264 1.00 33.50 N ATOM 252 NH2 ARG A1018 23.748 47.318 19.845 1.00 32.86 N ATOM 253 H ARG A1018 21.308 48.455 25.632 1.00 0.00 H ATOM 254 HA ARG A1018 20.387 48.767 22.791 1.00 0.00 H ATOM 255 HB2 ARG A1018 21.948 46.584 24.228 1.00 0.00 H ATOM 256 HB3 ARG A1018 22.639 47.865 23.226 1.00 0.00 H ATOM 257 HG2 ARG A1018 20.702 45.705 22.240 1.00 0.00 H ATOM 258 HG3 ARG A1018 21.414 46.988 21.269 1.00 0.00 H ATOM 259 HD2 ARG A1018 22.662 44.911 20.919 1.00 0.00 H ATOM 260 HD3 ARG A1018 22.849 44.684 22.666 1.00 0.00 H ATOM 261 HE ARG A1018 24.604 46.238 22.709 1.00 0.00 H ATOM 262 HH11 ARG A1018 25.389 48.843 20.763 1.00 0.00 H ATOM 263 HH12 ARG A1018 25.717 47.881 22.205 1.00 0.00 H ATOM 264 HH21 ARG A1018 23.892 48.176 19.355 1.00 0.00 H ATOM 265 HH22 ARG A1018 22.935 46.736 19.607 1.00 0.00 H ATOM 266 N VAL A1019 18.263 47.445 23.090 1.00 12.25 N ATOM 267 CA VAL A1019 16.983 46.735 23.276 1.00 12.51 C ATOM 268 C VAL A1019 16.568 46.007 21.999 1.00 13.91 C ATOM 269 O VAL A1019 16.246 46.653 21.005 1.00 11.92 O ATOM 270 CB VAL A1019 15.874 47.703 23.744 1.00 12.24 C ATOM 271 CG1 VAL A1019 14.587 46.930 24.055 1.00 14.18 C ATOM 272 CG2 VAL A1019 16.261 48.486 25.005 1.00 13.15 C ATOM 273 H VAL A1019 18.313 48.161 22.370 1.00 0.00 H ATOM 274 HA VAL A1019 17.099 45.982 24.055 1.00 0.00 H ATOM 275 HB VAL A1019 15.661 48.422 22.952 1.00 0.00 H ATOM 276 HG21 VAL A1019 17.089 49.157 24.780 1.00 0.00 H ATOM 277 HG22 VAL A1019 16.556 47.803 25.802 1.00 0.00 H ATOM 278 HG23 VAL A1019 15.422 49.093 25.344 1.00 0.00 H ATOM 279 HG11 VAL A1019 14.242 46.405 23.168 1.00 0.00 H ATOM 280 HG12 VAL A1019 13.812 47.626 24.371 1.00 0.00 H ATOM 281 HG13 VAL A1019 14.772 46.210 24.851 1.00 0.00 H ATOM 282 N ARG A1020 16.388 44.679 22.065 1.00 13.36 N ATOM 283 CA ARG A1020 15.914 43.842 20.946 1.00 14.68 C ATOM 284 C ARG A1020 14.634 43.093 21.310 1.00 15.39 C ATOM 285 O ARG A1020 14.564 42.457 22.365 1.00 14.72 O ATOM 286 CB ARG A1020 17.041 42.893 20.514 1.00 18.20 C ATOM 287 CG ARG A1020 16.754 42.130 19.206 1.00 22.14 C ATOM 288 CD ARG A1020 17.849 41.103 18.874 1.00 26.75 C ATOM 289 NE ARG A1020 19.165 41.742 18.714 1.00 31.48 N ATOM 290 CZ ARG A1020 20.349 41.195 18.543 1.00 33.16 C ATOM 291 NH1 ARG A1020 20.514 39.908 18.419 1.00 34.41 N ATOM 292 NH2 ARG A1020 21.395 41.962 18.503 1.00 34.55 N ATOM 293 H ARG A1020 16.625 44.206 22.935 1.00 0.00 H ATOM 294 HA ARG A1020 15.683 44.490 20.102 1.00 0.00 H ATOM 295 HB2 ARG A1020 17.203 42.176 21.315 1.00 0.00 H ATOM 296 HB3 ARG A1020 17.953 43.479 20.388 1.00 0.00 H ATOM 297 HG2 ARG A1020 16.667 42.840 18.384 1.00 0.00 H ATOM 298 HG3 ARG A1020 15.810 41.593 19.295 1.00 0.00 H ATOM 299 HD2 ARG A1020 17.894 40.367 19.678 1.00 0.00 H ATOM 300 HD3 ARG A1020 17.576 40.598 17.945 1.00 0.00 H ATOM 301 HE ARG A1020 19.211 42.759 18.816 1.00 0.00 H ATOM 302 HH11 ARG A1020 19.704 39.323 18.466 1.00 0.00 H ATOM 303 HH12 ARG A1020 21.437 39.539 18.303 1.00 0.00 H ATOM 304 HH21 ARG A1020 21.210 42.966 18.651 1.00 0.00 H ATOM 305 HH22 ARG A1020 22.330 41.630 18.398 1.00 0.00 H ATOM 306 N GLY A1021 13.689 43.007 20.377 1.00 14.77 N ATOM 307 CA GLY A1021 12.403 42.339 20.590 1.00 15.33 C ATOM 308 C GLY A1021 11.653 41.965 19.313 1.00 16.78 C ATOM 309 O GLY A1021 12.060 42.310 18.208 1.00 16.03 O ATOM 310 H GLY A1021 13.830 43.496 19.495 1.00 0.00 H ATOM 311 HA2 GLY A1021 12.564 41.428 21.159 1.00 0.00 H ATOM 312 HA3 GLY A1021 11.756 42.992 21.176 1.00 0.00 H ATOM 313 N GLU A1022 10.577 41.203 19.487 1.00 17.24 N ATOM 314 CA GLU A1022 9.631 40.781 18.450 1.00 19.06 C ATOM 315 C GLU A1022 8.358 41.636 18.513 1.00 18.74 C ATOM 316 O GLU A1022 7.679 41.681 19.541 1.00 18.05 O ATOM 317 CB GLU A1022 9.317 39.284 18.641 1.00 21.74 C ATOM 318 CG GLU A1022 10.467 38.430 18.082 1.00 26.03 C ATOM 319 CD GLU A1022 10.581 37.001 18.636 1.00 29.68 C ATOM 320 OE1 GLU A1022 11.687 36.440 18.450 1.00 31.39 O ATOM 321 OE2 GLU A1022 9.890 36.632 19.620 1.00 31.81 O ATOM 322 H GLU A1022 10.330 40.958 20.439 1.00 0.00 H ATOM 323 HA GLU A1022 10.079 40.915 17.464 1.00 0.00 H ATOM 324 HB2 GLU A1022 9.188 39.087 19.706 1.00 0.00 H ATOM 325 HB3 GLU A1022 8.393 39.026 18.123 1.00 0.00 H ATOM 326 HG2 GLU A1022 11.409 38.934 18.306 1.00 0.00 H ATOM 327 HG3 GLU A1022 10.365 38.387 16.996 1.00 0.00 H ATOM 328 N VAL A1023 8.059 42.358 17.434 1.00 19.36 N ATOM 329 CA VAL A1023 6.836 43.158 17.276 1.00 19.16 C ATOM 330 C VAL A1023 5.624 42.229 17.105 1.00 19.25 C ATOM 331 O VAL A1023 5.710 41.225 16.399 1.00 20.32 O ATOM 332 CB VAL A1023 6.988 44.120 16.078 1.00 19.02 C ATOM 333 CG1 VAL A1023 5.763 45.018 15.900 1.00 19.57 C ATOM 334 CG2 VAL A1023 8.202 45.052 16.220 1.00 19.07 C ATOM 335 H VAL A1023 8.648 42.253 16.612 1.00 0.00 H ATOM 336 HA VAL A1023 6.690 43.755 18.174 1.00 0.00 H ATOM 337 HB VAL A1023 7.115 43.526 15.172 1.00 0.00 H ATOM 338 HG21 VAL A1023 9.123 44.473 16.282 1.00 0.00 H ATOM 339 HG22 VAL A1023 8.100 45.669 17.113 1.00 0.00 H ATOM 340 HG23 VAL A1023 8.274 45.697 15.345 1.00 0.00 H ATOM 341 HG11 VAL A1023 5.909 45.678 15.046 1.00 0.00 H ATOM 342 HG12 VAL A1023 5.597 45.615 16.798 1.00 0.00 H ATOM 343 HG13 VAL A1023 4.885 44.411 15.706 1.00 0.00 H ATOM 344 N ALA A1024 4.471 42.561 17.693 1.00 20.77 N ATOM 345 CA ALA A1024 3.245 41.765 17.548 1.00 22.02 C ATOM 346 C ALA A1024 2.785 41.661 16.072 1.00 23.52 C ATOM 347 O ALA A1024 2.958 42.620 15.315 1.00 21.40 O ATOM 348 CB ALA A1024 2.146 42.360 18.436 1.00 21.48 C ATOM 349 H ALA A1024 4.444 43.401 18.262 1.00 0.00 H ATOM 350 HA ALA A1024 3.471 40.762 17.910 1.00 0.00 H ATOM 351 HB1 ALA A1024 1.279 41.699 18.456 1.00 0.00 H ATOM 352 HB2 ALA A1024 1.829 43.320 18.032 1.00 0.00 H ATOM 353 HB3 ALA A1024 2.514 42.494 19.453 1.00 0.00 H ATOM 354 N PRO A1025 2.167 40.540 15.641 1.00 25.42 N ATOM 355 CA PRO A1025 1.775 40.314 14.242 1.00 27.49 C ATOM 356 C PRO A1025 0.689 41.267 13.722 1.00 28.24 C ATOM 357 O PRO A1025 0.574 41.440 12.513 1.00 29.68 O ATOM 358 CB PRO A1025 1.315 38.855 14.177 1.00 28.22 C ATOM 359 CG PRO A1025 0.845 38.566 15.601 1.00 28.09 C ATOM 360 CD PRO A1025 1.827 39.376 16.444 1.00 26.94 C ATOM 361 HA PRO A1025 2.640 40.435 13.593 1.00 0.00 H ATOM 362 HB2 PRO A1025 0.517 38.703 13.448 1.00 0.00 H ATOM 363 HB3 PRO A1025 2.169 38.220 13.938 1.00 0.00 H ATOM 364 HG2 PRO A1025 0.893 37.502 15.834 1.00 0.00 H ATOM 365 HG3 PRO A1025 -0.167 38.949 15.742 1.00 0.00 H ATOM 366 HD2 PRO A1025 1.361 39.656 17.389 1.00 0.00 H ATOM 367 HD3 PRO A1025 2.730 38.789 16.625 1.00 0.00 H ATOM 368 N ASP A1026 -0.021 41.967 14.608 1.00 28.55 N ATOM 369 CA ASP A1026 -1.007 42.996 14.276 1.00 29.92 C ATOM 370 C ASP A1026 -0.746 44.313 15.038 1.00 28.10 C ATOM 371 O ASP A1026 -1.694 44.983 15.439 1.00 28.10 O ATOM 372 CB ASP A1026 -2.431 42.447 14.498 1.00 33.79 C ATOM 373 CG ASP A1026 -2.799 42.184 15.966 1.00 37.07 C ATOM 374 OD1 ASP A1026 -1.877 41.976 16.787 1.00 38.62 O ATOM 375 OD2 ASP A1026 -3.963 42.502 16.311 1.00 39.49 O ATOM 376 H ASP A1026 0.030 41.719 15.588 1.00 0.00 H ATOM 377 HA ASP A1026 -0.913 43.240 13.217 1.00 0.00 H ATOM 378 HB2 ASP A1026 -2.535 41.512 13.949 1.00 0.00 H ATOM 379 HB3 ASP A1026 -3.141 43.156 14.071 1.00 0.00 H ATOM 380 N ALA A1027 0.515 44.649 15.342 1.00 26.22 N ATOM 381 CA ALA A1027 0.873 45.759 16.238 1.00 23.76 C ATOM 382 C ALA A1027 0.156 47.096 15.940 1.00 22.54 C ATOM 383 O ALA A1027 0.002 47.507 14.789 1.00 22.55 O ATOM 384 CB ALA A1027 2.394 45.936 16.224 1.00 22.34 C ATOM 385 H ALA A1027 1.259 44.032 15.038 1.00 0.00 H ATOM 386 HA ALA A1027 0.586 45.459 17.247 1.00 0.00 H ATOM 387 HB1 ALA A1027 2.676 46.753 16.884 1.00 0.00 H ATOM 388 HB2 ALA A1027 2.869 45.024 16.575 1.00 0.00 H ATOM 389 HB3 ALA A1027 2.733 46.163 15.213 1.00 0.00 H ATOM 390 N LYS A1028 -0.237 47.791 17.014 1.00 20.36 N ATOM 391 CA LYS A1028 -0.903 49.102 17.065 1.00 20.43 C ATOM 392 C LYS A1028 0.011 50.159 17.692 1.00 18.59 C ATOM 393 O LYS A1028 0.166 51.248 17.145 1.00 16.81 O ATOM 394 CB LYS A1028 -2.204 49.008 17.898 1.00 23.06 C ATOM 395 CG LYS A1028 -3.071 47.749 17.721 1.00 26.16 C ATOM 396 CD LYS A1028 -3.550 47.481 16.285 1.00 30.26 C ATOM 397 CE LYS A1028 -4.462 46.243 16.184 1.00 32.75 C ATOM 398 NZ LYS A1028 -3.936 45.076 16.936 1.00 33.82 N ATOM 399 H LYS A1028 -0.055 47.351 17.913 1.00 0.00 H ATOM 400 HA LYS A1028 -1.156 49.427 16.055 1.00 0.00 H ATOM 401 HB2 LYS A1028 -2.819 49.884 17.691 1.00 0.00 H ATOM 402 HB3 LYS A1028 -1.943 49.047 18.958 1.00 0.00 H ATOM 403 HG2 LYS A1028 -2.493 46.896 18.077 1.00 0.00 H ATOM 404 HG3 LYS A1028 -3.948 47.846 18.366 1.00 0.00 H ATOM 405 HD2 LYS A1028 -4.089 48.357 15.915 1.00 0.00 H ATOM 406 HD3 LYS A1028 -2.682 47.339 15.641 1.00 0.00 H ATOM 407 HE2 LYS A1028 -4.530 45.977 15.124 1.00 0.00 H ATOM 408 HE3 LYS A1028 -5.460 46.500 16.539 1.00 0.00 H ATOM 409 HZ1 LYS A1028 -4.374 44.186 16.683 1.00 0.00 H ATOM 410 HZ2 LYS A1028 -2.970 44.907 16.660 1.00 0.00 H ATOM 411 HZ3 LYS A1028 -3.952 45.188 17.934 1.00 0.00 H ATOM 412 N SER A1029 0.705 49.813 18.779 1.00 17.99 N ATOM 413 CA SER A1029 1.649 50.679 19.499 1.00 17.55 C ATOM 414 C SER A1029 2.569 49.863 20.417 1.00 17.05 C ATOM 415 O SER A1029 2.080 49.126 21.273 1.00 17.37 O ATOM 416 CB SER A1029 0.858 51.709 20.323 1.00 20.44 C ATOM 417 OG SER A1029 1.671 52.423 21.236 1.00 22.25 O ATOM 418 H SER A1029 0.536 48.882 19.165 1.00 0.00 H ATOM 419 HA SER A1029 2.263 51.219 18.782 1.00 0.00 H ATOM 420 HB2 SER A1029 0.392 52.419 19.640 1.00 0.00 H ATOM 421 HB3 SER A1029 0.071 51.198 20.883 1.00 0.00 H ATOM 422 HG SER A1029 1.833 51.843 21.990 1.00 0.00 H ATOM 423 N PHE A1030 3.863 50.200 20.455 1.00 14.30 N ATOM 424 CA PHE A1030 4.760 49.778 21.544 1.00 12.32 C ATOM 425 C PHE A1030 5.540 50.949 22.137 1.00 12.42 C ATOM 426 O PHE A1030 5.662 52.004 21.519 1.00 11.03 O ATOM 427 CB PHE A1030 5.660 48.609 21.122 1.00 12.18 C ATOM 428 CG PHE A1030 6.949 48.941 20.382 1.00 12.45 C ATOM 429 CD1 PHE A1030 8.092 49.364 21.092 1.00 13.20 C ATOM 430 CD2 PHE A1030 7.057 48.671 19.005 1.00 13.14 C ATOM 431 CE1 PHE A1030 9.315 49.550 20.424 1.00 13.43 C ATOM 432 CE2 PHE A1030 8.278 48.860 18.334 1.00 13.48 C ATOM 433 CZ PHE A1030 9.408 49.297 19.046 1.00 12.66 C ATOM 434 H PHE A1030 4.198 50.921 19.822 1.00 0.00 H ATOM 435 HA PHE A1030 4.149 49.401 22.365 1.00 0.00 H ATOM 436 HB2 PHE A1030 5.934 48.080 22.034 1.00 0.00 H ATOM 437 HB3 PHE A1030 5.072 47.910 20.525 1.00 0.00 H ATOM 438 HD1 PHE A1030 8.047 49.514 22.160 1.00 0.00 H ATOM 439 HD2 PHE A1030 6.213 48.266 18.471 1.00 0.00 H ATOM 440 HE1 PHE A1030 10.191 49.865 20.973 1.00 0.00 H ATOM 441 HE2 PHE A1030 8.356 48.652 17.277 1.00 0.00 H ATOM 442 HZ PHE A1030 10.351 49.429 18.534 1.00 0.00 H ATOM 443 N VAL A1031 6.000 50.783 23.377 1.00 10.44 N ATOM 444 CA VAL A1031 6.648 51.824 24.180 1.00 10.90 C ATOM 445 C VAL A1031 7.951 51.295 24.780 1.00 9.76 C ATOM 446 O VAL A1031 7.950 50.220 25.379 1.00 11.43 O ATOM 447 CB VAL A1031 5.697 52.314 25.291 1.00 11.05 C ATOM 448 CG1 VAL A1031 6.360 53.360 26.191 1.00 11.14 C ATOM 449 CG2 VAL A1031 4.416 52.945 24.728 1.00 12.13 C ATOM 450 H VAL A1031 5.817 49.896 23.841 1.00 0.00 H ATOM 451 HA VAL A1031 6.887 52.673 23.543 1.00 0.00 H ATOM 452 HB VAL A1031 5.411 51.465 25.914 1.00 0.00 H ATOM 453 HG21 VAL A1031 3.874 52.224 24.118 1.00 0.00 H ATOM 454 HG22 VAL A1031 4.669 53.813 24.121 1.00 0.00 H ATOM 455 HG23 VAL A1031 3.765 53.257 25.544 1.00 0.00 H ATOM 456 HG11 VAL A1031 5.647 53.711 26.934 1.00 0.00 H ATOM 457 HG12 VAL A1031 6.713 54.200 25.590 1.00 0.00 H ATOM 458 HG13 VAL A1031 7.204 52.921 26.718 1.00 0.00 H ATOM 459 N LEU A1032 8.986 52.139 24.807 1.00 9.87 N ATOM 460 CA LEU A1032 10.155 52.031 25.682 1.00 10.41 C ATOM 461 C LEU A1032 10.272 53.311 26.528 1.00 10.30 C ATOM 462 O LEU A1032 10.560 54.389 26.011 1.00 8.70 O ATOM 463 CB LEU A1032 11.430 51.774 24.849 1.00 12.04 C ATOM 464 CG LEU A1032 11.417 50.506 23.974 1.00 13.82 C ATOM 465 CD1 LEU A1032 12.696 50.430 23.137 1.00 15.65 C ATOM 466 CD2 LEU A1032 11.327 49.231 24.811 1.00 14.86 C ATOM 467 H LEU A1032 8.875 53.019 24.308 1.00 0.00 H ATOM 468 HA LEU A1032 10.022 51.195 26.370 1.00 0.00 H ATOM 469 HB2 LEU A1032 11.591 52.633 24.198 1.00 0.00 H ATOM 470 HB3 LEU A1032 12.281 51.721 25.530 1.00 0.00 H ATOM 471 HG LEU A1032 10.568 50.540 23.292 1.00 0.00 H ATOM 472 HD11 LEU A1032 12.671 49.548 22.497 1.00 0.00 H ATOM 473 HD12 LEU A1032 13.570 50.380 23.786 1.00 0.00 H ATOM 474 HD13 LEU A1032 12.776 51.314 22.504 1.00 0.00 H ATOM 475 HD21 LEU A1032 11.371 48.361 24.160 1.00 0.00 H ATOM 476 HD22 LEU A1032 10.376 49.211 25.339 1.00 0.00 H ATOM 477 HD23 LEU A1032 12.146 49.194 25.530 1.00 0.00 H ATOM 478 N ASN A1033 9.954 53.213 27.819 1.00 10.82 N ATOM 479 CA ASN A1033 10.141 54.284 28.800 1.00 11.53 C ATOM 480 C ASN A1033 11.550 54.201 29.411 1.00 11.55 C ATOM 481 O ASN A1033 11.925 53.127 29.881 1.00 13.10 O ATOM 482 CB ASN A1033 9.077 54.162 29.908 1.00 11.87 C ATOM 483 CG ASN A1033 7.648 54.083 29.408 1.00 13.97 C ATOM 484 OD1 ASN A1033 7.017 55.074 29.075 1.00 14.30 O ATOM 485 ND2 ASN A1033 7.060 52.911 29.420 1.00 11.74 N ATOM 486 H ASN A1033 9.708 52.298 28.178 1.00 0.00 H ATOM 487 HA ASN A1033 10.032 55.254 28.310 1.00 0.00 H ATOM 488 HB2 ASN A1033 9.291 53.284 30.516 1.00 0.00 H ATOM 489 HB3 ASN A1033 9.146 55.025 30.562 1.00 0.00 H ATOM 490 HD21 ASN A1033 6.128 52.858 29.058 1.00 0.00 H ATOM 491 HD22 ASN A1033 7.631 52.083 29.553 1.00 0.00 H ATOM 492 N LEU A1034 12.215 55.345 29.595 1.00 10.50 N ATOM 493 CA LEU A1034 13.529 55.498 30.230 1.00 11.60 C ATOM 494 C LEU A1034 13.582 56.738 31.129 1.00 12.52 C ATOM 495 O LEU A1034 13.204 57.834 30.706 1.00 11.38 O ATOM 496 CB LEU A1034 14.628 55.632 29.157 1.00 12.25 C ATOM 497 CG LEU A1034 14.792 54.433 28.215 1.00 13.38 C ATOM 498 CD1 LEU A1034 15.869 54.752 27.181 1.00 16.14 C ATOM 499 CD2 LEU A1034 15.211 53.176 28.970 1.00 16.15 C ATOM 500 H LEU A1034 11.857 56.169 29.122 1.00 0.00 H ATOM 501 HA LEU A1034 13.735 54.629 30.852 1.00 0.00 H ATOM 502 HB2 LEU A1034 14.408 56.513 28.552 1.00 0.00 H ATOM 503 HB3 LEU A1034 15.581 55.811 29.658 1.00 0.00 H ATOM 504 HG LEU A1034 13.856 54.241 27.690 1.00 0.00 H ATOM 505 HD21 LEU A1034 14.483 52.934 29.737 1.00 0.00 H ATOM 506 HD22 LEU A1034 16.184 53.325 29.439 1.00 0.00 H ATOM 507 HD23 LEU A1034 15.253 52.343 28.273 1.00 0.00 H ATOM 508 HD11 LEU A1034 16.001 53.900 26.518 1.00 0.00 H ATOM 509 HD12 LEU A1034 16.818 54.969 27.673 1.00 0.00 H ATOM 510 HD13 LEU A1034 15.564 55.615 26.591 1.00 0.00 H ATOM 511 N GLY A1035 14.252 56.630 32.277 1.00 12.83 N ATOM 512 CA GLY A1035 14.585 57.787 33.110 1.00 13.95 C ATOM 513 C GLY A1035 14.951 57.438 34.547 1.00 15.67 C ATOM 514 O GLY A1035 15.760 56.545 34.784 1.00 15.54 O ATOM 515 H GLY A1035 14.594 55.713 32.556 1.00 0.00 H ATOM 516 HA2 GLY A1035 13.740 58.473 33.126 1.00 0.00 H ATOM 517 HA3 GLY A1035 15.437 58.308 32.676 1.00 0.00 H ATOM 518 N LYS A1036 14.461 58.252 35.482 1.00 17.82 N ATOM 519 CA LYS A1036 14.683 58.144 36.934 1.00 19.60 C ATOM 520 C LYS A1036 13.716 57.135 37.571 1.00 19.78 C ATOM 521 O LYS A1036 14.155 56.262 38.314 1.00 20.31 O ATOM 522 CB LYS A1036 14.511 59.569 37.492 1.00 21.53 C ATOM 523 CG LYS A1036 14.691 59.789 39.005 1.00 24.79 C ATOM 524 CD LYS A1036 13.978 61.065 39.508 1.00 28.55 C ATOM 525 CE LYS A1036 14.283 62.344 38.714 1.00 30.73 C ATOM 526 NZ LYS A1036 13.347 63.441 39.084 1.00 33.72 N ATOM 527 H LYS A1036 13.787 58.947 35.168 1.00 0.00 H ATOM 528 HA LYS A1036 15.697 57.797 37.136 1.00 0.00 H ATOM 529 HB2 LYS A1036 15.222 60.216 36.983 1.00 0.00 H ATOM 530 HB3 LYS A1036 13.519 59.897 37.216 1.00 0.00 H ATOM 531 HG2 LYS A1036 14.279 58.942 39.554 1.00 0.00 H ATOM 532 HG3 LYS A1036 15.756 59.857 39.228 1.00 0.00 H ATOM 533 HD2 LYS A1036 14.246 61.220 40.553 1.00 0.00 H ATOM 534 HD3 LYS A1036 12.905 60.890 39.475 1.00 0.00 H ATOM 535 HE2 LYS A1036 15.318 62.640 38.908 1.00 0.00 H ATOM 536 HE3 LYS A1036 14.188 62.126 37.648 1.00 0.00 H ATOM 537 HZ1 LYS A1036 13.553 64.292 38.577 1.00 0.00 H ATOM 538 HZ2 LYS A1036 12.381 63.206 38.853 1.00 0.00 H ATOM 539 HZ3 LYS A1036 13.369 63.619 40.077 1.00 0.00 H ATOM 540 N ASP A1037 12.461 57.142 37.118 1.00 19.40 N ATOM 541 CA ASP A1037 11.355 56.282 37.563 1.00 20.78 C ATOM 542 C ASP A1037 10.199 56.327 36.530 1.00 20.11 C ATOM 543 O ASP A1037 10.348 56.899 35.450 1.00 20.61 O ATOM 544 CB ASP A1037 10.895 56.740 38.963 1.00 21.70 C ATOM 545 CG ASP A1037 10.504 58.217 39.008 1.00 24.02 C ATOM 546 OD1 ASP A1037 9.558 58.575 38.276 1.00 20.97 O ATOM 547 OD2 ASP A1037 11.333 59.036 39.447 1.00 25.89 O ATOM 548 H ASP A1037 12.215 57.846 36.438 1.00 0.00 H ATOM 549 HA ASP A1037 11.700 55.251 37.638 1.00 0.00 H ATOM 550 HB2 ASP A1037 10.046 56.136 39.286 1.00 0.00 H ATOM 551 HB3 ASP A1037 11.702 56.562 39.676 1.00 0.00 H ATOM 552 N SER A1038 9.031 55.752 36.845 1.00 20.39 N ATOM 553 CA SER A1038 7.838 55.719 35.971 1.00 20.01 C ATOM 554 C SER A1038 7.229 57.090 35.634 1.00 20.52 C ATOM 555 O SER A1038 6.340 57.183 34.777 1.00 20.79 O ATOM 556 CB SER A1038 6.757 54.872 36.654 1.00 21.59 C ATOM 557 OG SER A1038 6.437 55.371 37.943 1.00 22.92 O ATOM 558 H SER A1038 8.919 55.385 37.778 1.00 0.00 H ATOM 559 HA SER A1038 8.109 55.243 35.031 1.00 0.00 H ATOM 560 HB2 SER A1038 5.859 54.851 36.035 1.00 0.00 H ATOM 561 HB3 SER A1038 7.124 53.851 36.760 1.00 0.00 H ATOM 562 HG SER A1038 5.971 56.226 37.877 1.00 0.00 H ATOM 563 N ASN A1039 7.571 58.119 36.404 1.00 19.63 N ATOM 564 CA ASN A1039 6.991 59.456 36.364 1.00 20.66 C ATOM 565 C ASN A1039 7.979 60.465 35.763 1.00 18.10 C ATOM 566 O ASN A1039 7.593 61.272 34.926 1.00 18.38 O ATOM 567 CB ASN A1039 6.578 59.855 37.793 1.00 23.17 C ATOM 568 CG ASN A1039 5.653 58.893 38.515 1.00 26.37 C ATOM 569 OD1 ASN A1039 5.172 57.890 37.993 1.00 29.19 O ATOM 570 ND2 ASN A1039 5.281 59.248 39.721 1.00 29.39 N ATOM 571 H ASN A1039 8.298 57.968 37.102 1.00 0.00 H ATOM 572 HA ASN A1039 6.102 59.463 35.738 1.00 0.00 H ATOM 573 HB2 ASN A1039 7.466 59.996 38.410 1.00 0.00 H ATOM 574 HB3 ASN A1039 6.068 60.809 37.759 1.00 0.00 H ATOM 575 HD21 ASN A1039 5.654 60.101 40.116 1.00 0.00 H ATOM 576 HD22 ASN A1039 4.650 58.651 40.220 1.00 0.00 H ATOM 577 N ASN A1040 9.261 60.305 36.076 1.00 17.39 N ATOM 578 CA ASN A1040 10.381 61.120 35.628 1.00 16.14 C ATOM 579 C ASN A1040 11.134 60.448 34.457 1.00 15.13 C ATOM 580 O ASN A1040 12.207 59.860 34.645 1.00 14.23 O ATOM 581 CB ASN A1040 11.268 61.342 36.850 1.00 17.27 C ATOM 582 CG ASN A1040 10.582 62.209 37.878 1.00 19.53 C ATOM 583 OD1 ASN A1040 10.722 63.420 37.826 1.00 18.57 O ATOM 584 ND2 ASN A1040 10.242 61.644 39.010 1.00 20.09 N ATOM 585 H ASN A1040 9.468 59.607 36.793 1.00 0.00 H ATOM 586 HA ASN A1040 10.023 62.089 35.288 1.00 0.00 H ATOM 587 HB2 ASN A1040 11.488 60.376 37.291 1.00 0.00 H ATOM 588 HB3 ASN A1040 12.188 61.833 36.542 1.00 0.00 H ATOM 589 HD21 ASN A1040 9.608 62.162 39.629 1.00 0.00 H ATOM 590 HD22 ASN A1040 10.273 60.631 39.084 1.00 0.00 H ATOM 591 N LEU A1041 10.544 60.502 33.260 1.00 12.93 N ATOM 592 CA LEU A1041 11.128 59.958 32.035 1.00 12.96 C ATOM 593 C LEU A1041 11.917 61.017 31.256 1.00 12.48 C ATOM 594 O LEU A1041 11.341 61.960 30.717 1.00 12.23 O ATOM 595 CB LEU A1041 10.061 59.308 31.140 1.00 12.89 C ATOM 596 CG LEU A1041 9.209 58.225 31.822 1.00 13.31 C ATOM 597 CD1 LEU A1041 8.150 57.723 30.840 1.00 12.12 C ATOM 598 CD2 LEU A1041 10.058 57.034 32.262 1.00 13.45 C ATOM 599 H LEU A1041 9.757 61.142 33.176 1.00 0.00 H ATOM 600 HA LEU A1041 11.831 59.175 32.318 1.00 0.00 H ATOM 601 HB2 LEU A1041 9.408 60.088 30.756 1.00 0.00 H ATOM 602 HB3 LEU A1041 10.567 58.863 30.283 1.00 0.00 H ATOM 603 HG LEU A1041 8.697 58.639 32.691 1.00 0.00 H ATOM 604 HD11 LEU A1041 7.521 56.976 31.323 1.00 0.00 H ATOM 605 HD12 LEU A1041 8.629 57.284 29.966 1.00 0.00 H ATOM 606 HD13 LEU A1041 7.529 58.555 30.514 1.00 0.00 H ATOM 607 HD21 LEU A1041 9.423 56.279 32.723 1.00 0.00 H ATOM 608 HD22 LEU A1041 10.591 56.618 31.413 1.00 0.00 H ATOM 609 HD23 LEU A1041 10.784 57.357 33.008 1.00 0.00 H ATOM 610 N CYS A1042 13.186 60.714 30.989 1.00 10.98 N ATOM 611 CA CYS A1042 13.997 61.432 30.004 1.00 12.43 C ATOM 612 C CYS A1042 13.644 61.054 28.554 1.00 13.14 C ATOM 613 O CYS A1042 13.720 61.917 27.682 1.00 12.42 O ATOM 614 CB CYS A1042 15.477 61.198 30.332 1.00 14.04 C ATOM 615 SG CYS A1042 15.934 59.447 30.142 1.00 13.88 S ATOM 616 H CYS A1042 13.523 59.825 31.319 1.00 0.00 H ATOM 617 HA CYS A1042 13.800 62.500 30.096 1.00 0.00 H ATOM 618 HB2 CYS A1042 16.092 61.803 29.661 1.00 0.00 H ATOM 619 HB3 CYS A1042 15.678 61.529 31.350 1.00 0.00 H ATOM 620 HG CYS A1042 14.902 58.886 30.783 1.00 0.00 H ATOM 621 N LEU A1043 13.104 59.847 28.326 1.00 11.04 N ATOM 622 CA LEU A1043 12.534 59.428 27.044 1.00 10.56 C ATOM 623 C LEU A1043 11.412 58.397 27.232 1.00 11.48 C ATOM 624 O LEU A1043 11.631 57.278 27.687 1.00 10.79 O ATOM 625 CB LEU A1043 13.661 58.899 26.137 1.00 11.79 C ATOM 626 CG LEU A1043 13.216 58.317 24.781 1.00 11.20 C ATOM 627 CD1 LEU A1043 12.482 59.342 23.915 1.00 14.23 C ATOM 628 CD2 LEU A1043 14.443 57.838 24.002 1.00 11.47 C ATOM 629 H LEU A1043 13.076 59.185 29.091 1.00 0.00 H ATOM 630 HA LEU A1043 12.108 60.310 26.562 1.00 0.00 H ATOM 631 HB2 LEU A1043 14.355 59.715 25.944 1.00 0.00 H ATOM 632 HB3 LEU A1043 14.191 58.118 26.683 1.00 0.00 H ATOM 633 HG LEU A1043 12.564 57.462 24.950 1.00 0.00 H ATOM 634 HD11 LEU A1043 12.222 58.892 22.957 1.00 0.00 H ATOM 635 HD12 LEU A1043 11.565 59.671 24.399 1.00 0.00 H ATOM 636 HD13 LEU A1043 13.123 60.206 23.740 1.00 0.00 H ATOM 637 HD21 LEU A1043 14.138 57.421 23.043 1.00 0.00 H ATOM 638 HD22 LEU A1043 14.961 57.065 24.568 1.00 0.00 H ATOM 639 HD23 LEU A1043 15.122 58.671 23.821 1.00 0.00 H ATOM 640 N HIS A1044 10.232 58.735 26.734 1.00 9.49 N ATOM 641 CA HIS A1044 9.151 57.840 26.349 1.00 10.56 C ATOM 642 C HIS A1044 9.184 57.685 24.823 1.00 10.26 C ATOM 643 O HIS A1044 8.744 58.583 24.106 1.00 11.18 O ATOM 644 CB HIS A1044 7.844 58.467 26.850 1.00 10.38 C ATOM 645 CG HIS A1044 6.587 57.780 26.385 1.00 11.33 C ATOM 646 ND1 HIS A1044 6.016 56.660 26.939 1.00 12.35 N ATOM 647 CD2 HIS A1044 5.805 58.148 25.321 1.00 11.47 C ATOM 648 CE1 HIS A1044 4.901 56.379 26.244 1.00 13.45 C ATOM 649 NE2 HIS A1044 4.733 57.252 25.242 1.00 13.95 N ATOM 650 H HIS A1044 10.141 59.695 26.422 1.00 0.00 H ATOM 651 HA HIS A1044 9.276 56.857 26.806 1.00 0.00 H ATOM 652 HB2 HIS A1044 7.796 59.508 26.526 1.00 0.00 H ATOM 653 HB3 HIS A1044 7.861 58.460 27.938 1.00 0.00 H ATOM 654 HD2 HIS A1044 5.989 58.983 24.658 1.00 0.00 H ATOM 655 HE1 HIS A1044 4.233 55.554 26.448 1.00 0.00 H ATOM 656 HD1 HIS A1044 6.379 56.128 27.730 1.00 0.00 H ATOM 657 N PHE A1045 9.881 56.659 24.335 1.00 10.01 N ATOM 658 CA PHE A1045 9.958 56.306 22.915 1.00 10.50 C ATOM 659 C PHE A1045 8.758 55.431 22.534 1.00 11.21 C ATOM 660 O PHE A1045 8.521 54.407 23.178 1.00 9.15 O ATOM 661 CB PHE A1045 11.287 55.574 22.676 1.00 9.73 C ATOM 662 CG PHE A1045 11.464 54.969 21.298 1.00 8.08 C ATOM 663 CD1 PHE A1045 11.944 55.763 20.241 1.00 8.58 C ATOM 664 CD2 PHE A1045 11.180 53.607 21.076 1.00 6.99 C ATOM 665 CE1 PHE A1045 12.140 55.200 18.969 1.00 9.53 C ATOM 666 CE2 PHE A1045 11.382 53.042 19.803 1.00 8.73 C ATOM 667 CZ PHE A1045 11.860 53.841 18.751 1.00 8.52 C ATOM 668 H PHE A1045 10.249 55.978 24.992 1.00 0.00 H ATOM 669 HA PHE A1045 9.941 57.209 22.301 1.00 0.00 H ATOM 670 HB2 PHE A1045 12.102 56.275 22.849 1.00 0.00 H ATOM 671 HB3 PHE A1045 11.389 54.780 23.414 1.00 0.00 H ATOM 672 HD1 PHE A1045 12.169 56.806 20.409 1.00 0.00 H ATOM 673 HD2 PHE A1045 10.802 52.995 21.882 1.00 0.00 H ATOM 674 HE1 PHE A1045 12.510 55.812 18.160 1.00 0.00 H ATOM 675 HE2 PHE A1045 11.164 51.998 19.631 1.00 0.00 H ATOM 676 HZ PHE A1045 12.014 53.417 17.772 1.00 0.00 H ATOM 677 N ASN A1046 7.998 55.806 21.504 1.00 9.89 N ATOM 678 CA ASN A1046 6.714 55.178 21.188 1.00 10.13 C ATOM 679 C ASN A1046 6.435 55.130 19.667 1.00 9.79 C ATOM 680 O ASN A1046 5.784 56.025 19.123 1.00 9.57 O ATOM 681 CB ASN A1046 5.629 55.931 21.990 1.00 10.53 C ATOM 682 CG ASN A1046 4.203 55.433 21.814 1.00 11.18 C ATOM 683 OD1 ASN A1046 3.250 56.154 22.067 1.00 12.66 O ATOM 684 ND2 ASN A1046 3.970 54.220 21.367 1.00 11.42 N ATOM 685 H ASN A1046 8.189 56.706 21.069 1.00 0.00 H ATOM 686 HA ASN A1046 6.737 54.151 21.544 1.00 0.00 H ATOM 687 HB2 ASN A1046 5.651 56.985 21.714 1.00 0.00 H ATOM 688 HB3 ASN A1046 5.867 55.857 23.050 1.00 0.00 H ATOM 689 HD21 ASN A1046 3.011 53.918 21.270 1.00 0.00 H ATOM 690 HD22 ASN A1046 4.722 53.554 21.238 1.00 0.00 H ATOM 691 N PRO A1047 6.789 54.021 18.990 1.00 10.80 N ATOM 692 CA PRO A1047 6.300 53.704 17.650 1.00 11.20 C ATOM 693 C PRO A1047 4.792 53.398 17.650 1.00 13.08 C ATOM 694 O PRO A1047 4.342 52.391 18.207 1.00 11.47 O ATOM 695 CB PRO A1047 7.156 52.523 17.165 1.00 13.21 C ATOM 696 CG PRO A1047 8.442 52.690 17.971 1.00 10.48 C ATOM 697 CD PRO A1047 7.901 53.145 19.323 1.00 9.24 C ATOM 698 HA PRO A1047 6.492 54.556 17.000 1.00 0.00 H ATOM 699 HB2 PRO A1047 6.690 51.571 17.425 1.00 0.00 H ATOM 700 HB3 PRO A1047 7.350 52.572 16.094 1.00 0.00 H ATOM 701 HG2 PRO A1047 9.056 53.478 17.534 1.00 0.00 H ATOM 702 HG3 PRO A1047 9.003 51.762 18.043 1.00 0.00 H ATOM 703 HD2 PRO A1047 8.675 53.672 19.880 1.00 0.00 H ATOM 704 HD3 PRO A1047 7.546 52.283 19.887 1.00 0.00 H ATOM 705 N ARG A1048 4.014 54.264 16.991 1.00 11.58 N ATOM 706 CA ARG A1048 2.561 54.148 16.792 1.00 12.62 C ATOM 707 C ARG A1048 2.281 53.683 15.363 1.00 13.03 C ATOM 708 O ARG A1048 2.410 54.447 14.412 1.00 12.39 O ATOM 709 CB ARG A1048 1.887 55.501 17.097 1.00 11.88 C ATOM 710 CG ARG A1048 2.064 55.905 18.570 1.00 11.64 C ATOM 711 CD ARG A1048 1.442 57.268 18.892 1.00 12.19 C ATOM 712 NE ARG A1048 1.796 57.661 20.265 1.00 11.54 N ATOM 713 CZ ARG A1048 1.787 58.854 20.828 1.00 12.34 C ATOM 714 NH1 ARG A1048 1.273 59.920 20.297 1.00 12.23 N ATOM 715 NH2 ARG A1048 2.323 58.992 22.000 1.00 12.94 N ATOM 716 H ARG A1048 4.464 55.075 16.569 1.00 0.00 H ATOM 717 HA ARG A1048 2.152 53.403 17.475 1.00 0.00 H ATOM 718 HB2 ARG A1048 0.821 55.426 16.874 1.00 0.00 H ATOM 719 HB3 ARG A1048 2.319 56.274 16.458 1.00 0.00 H ATOM 720 HG2 ARG A1048 1.615 55.145 19.211 1.00 0.00 H ATOM 721 HG3 ARG A1048 3.128 55.962 18.797 1.00 0.00 H ATOM 722 HD2 ARG A1048 0.357 57.221 18.776 1.00 0.00 H ATOM 723 HD3 ARG A1048 1.839 57.997 18.188 1.00 0.00 H ATOM 724 HE ARG A1048 2.266 56.957 20.821 1.00 0.00 H ATOM 725 HH11 ARG A1048 1.425 60.805 20.777 1.00 0.00 H ATOM 726 HH12 ARG A1048 0.906 59.888 19.341 1.00 0.00 H ATOM 727 HH21 ARG A1048 2.393 59.948 22.361 1.00 0.00 H ATOM 728 HH22 ARG A1048 2.812 58.218 22.424 1.00 0.00 H ATOM 729 N PHE A1049 1.927 52.409 15.217 1.00 13.07 N ATOM 730 CA PHE A1049 1.492 51.795 13.957 1.00 14.03 C ATOM 731 C PHE A1049 0.074 52.261 13.592 1.00 14.59 C ATOM 732 O PHE A1049 -0.184 52.632 12.451 1.00 15.03 O ATOM 733 CB PHE A1049 1.502 50.262 14.095 1.00 13.54 C ATOM 734 CG PHE A1049 2.809 49.632 14.543 1.00 13.51 C ATOM 735 CD1 PHE A1049 3.210 49.713 15.889 1.00 15.22 C ATOM 736 CD2 PHE A1049 3.628 48.956 13.619 1.00 14.98 C ATOM 737 CE1 PHE A1049 4.439 49.179 16.300 1.00 14.88 C ATOM 738 CE2 PHE A1049 4.852 48.400 14.033 1.00 13.97 C ATOM 739 CZ PHE A1049 5.264 48.521 15.373 1.00 15.72 C ATOM 740 H PHE A1049 1.790 51.873 16.060 1.00 0.00 H ATOM 741 HA PHE A1049 2.170 52.079 13.150 1.00 0.00 H ATOM 742 HB2 PHE A1049 1.214 49.831 13.134 1.00 0.00 H ATOM 743 HB3 PHE A1049 0.736 49.977 14.811 1.00 0.00 H ATOM 744 HD1 PHE A1049 2.591 50.212 16.614 1.00 0.00 H ATOM 745 HD2 PHE A1049 3.326 48.887 12.583 1.00 0.00 H ATOM 746 HE1 PHE A1049 4.744 49.296 17.327 1.00 0.00 H ATOM 747 HE2 PHE A1049 5.487 47.904 13.314 1.00 0.00 H ATOM 748 HZ PHE A1049 6.213 48.113 15.690 1.00 0.00 H ATOM 749 N ASN A1050 -0.803 52.343 14.599 1.00 17.33 N ATOM 750 CA ASN A1050 -2.144 52.923 14.553 1.00 17.60 C ATOM 751 C ASN A1050 -2.632 53.151 15.999 1.00 18.26 C ATOM 752 O ASN A1050 -3.075 52.205 16.654 1.00 16.44 O ATOM 753 CB ASN A1050 -3.064 51.957 13.778 1.00 20.29 C ATOM 754 CG ASN A1050 -4.510 52.415 13.694 1.00 22.72 C ATOM 755 OD1 ASN A1050 -4.920 53.455 14.176 1.00 24.48 O ATOM 756 ND2 ASN A1050 -5.344 51.652 13.028 1.00 25.53 N ATOM 757 H ASN A1050 -0.484 52.026 15.507 1.00 0.00 H ATOM 758 HA ASN A1050 -2.119 53.883 14.034 1.00 0.00 H ATOM 759 HB2 ASN A1050 -2.692 51.850 12.760 1.00 0.00 H ATOM 760 HB3 ASN A1050 -3.042 50.977 14.255 1.00 0.00 H ATOM 761 HD21 ASN A1050 -6.278 52.009 12.938 1.00 0.00 H ATOM 762 HD22 ASN A1050 -5.011 50.830 12.564 1.00 0.00 H ATOM 763 N ALA A1051 -2.424 54.352 16.545 1.00 18.69 N ATOM 764 CA ALA A1051 -2.810 54.704 17.914 1.00 20.20 C ATOM 765 C ALA A1051 -3.047 56.215 18.072 1.00 21.29 C ATOM 766 O ALA A1051 -2.263 57.026 17.590 1.00 20.80 O ATOM 767 CB ALA A1051 -1.734 54.212 18.891 1.00 20.57 C ATOM 768 H ALA A1051 -2.047 55.091 15.954 1.00 0.00 H ATOM 769 HA ALA A1051 -3.744 54.191 18.149 1.00 0.00 H ATOM 770 HB1 ALA A1051 -2.018 54.469 19.912 1.00 0.00 H ATOM 771 HB2 ALA A1051 -1.635 53.129 18.811 1.00 0.00 H ATOM 772 HB3 ALA A1051 -0.780 54.682 18.657 1.00 0.00 H ATOM 773 N HIS A1052 -4.102 56.593 18.804 1.00 22.54 N ATOM 774 CA HIS A1052 -4.509 57.979 19.138 1.00 23.76 C ATOM 775 C HIS A1052 -4.848 58.915 17.961 1.00 23.94 C ATOM 776 O HIS A1052 -5.508 59.928 18.172 1.00 25.75 O ATOM 777 CB HIS A1052 -3.473 58.630 20.072 1.00 26.19 C ATOM 778 CG HIS A1052 -2.980 57.727 21.175 1.00 27.49 C ATOM 779 ND1 HIS A1052 -3.775 57.101 22.138 1.00 29.23 N ATOM 780 CD2 HIS A1052 -1.678 57.391 21.392 1.00 28.08 C ATOM 781 CE1 HIS A1052 -2.927 56.415 22.920 1.00 29.16 C ATOM 782 NE2 HIS A1052 -1.661 56.566 22.493 1.00 29.78 N ATOM 783 H HIS A1052 -4.643 55.858 19.230 1.00 0.00 H ATOM 784 HA HIS A1052 -5.429 57.910 19.718 1.00 0.00 H ATOM 785 HB2 HIS A1052 -2.614 58.948 19.479 1.00 0.00 H ATOM 786 HB3 HIS A1052 -3.910 59.521 20.522 1.00 0.00 H ATOM 787 HD2 HIS A1052 -0.836 57.736 20.810 1.00 0.00 H ATOM 788 HE1 HIS A1052 -3.228 55.833 23.781 1.00 0.00 H ATOM 789 HE2 HIS A1052 -0.838 56.177 22.931 1.00 0.00 H ATOM 790 N GLY A1053 -4.481 58.553 16.730 1.00 22.68 N ATOM 791 CA GLY A1053 -4.543 59.393 15.529 1.00 22.10 C ATOM 792 C GLY A1053 -3.228 59.396 14.738 1.00 20.65 C ATOM 793 O GLY A1053 -3.247 59.620 13.531 1.00 21.63 O ATOM 794 H GLY A1053 -3.907 57.724 16.663 1.00 0.00 H ATOM 795 HA2 GLY A1053 -4.765 60.423 15.809 1.00 0.00 H ATOM 796 HA3 GLY A1053 -5.335 59.029 14.875 1.00 0.00 H ATOM 797 N ASP A1054 -2.126 58.975 15.365 1.00 18.01 N ATOM 798 CA ASP A1054 -0.883 58.600 14.691 1.00 16.54 C ATOM 799 C ASP A1054 -1.005 57.230 14.005 1.00 15.84 C ATOM 800 O ASP A1054 -1.533 56.275 14.585 1.00 16.05 O ATOM 801 CB ASP A1054 0.267 58.572 15.705 1.00 17.11 C ATOM 802 CG ASP A1054 0.441 59.905 16.428 1.00 18.56 C ATOM 803 OD1 ASP A1054 0.992 60.834 15.804 1.00 18.14 O ATOM 804 OD2 ASP A1054 0.394 59.923 17.679 1.00 19.63 O ATOM 805 H ASP A1054 -2.204 58.695 16.335 1.00 0.00 H ATOM 806 HA ASP A1054 -0.652 59.352 13.934 1.00 0.00 H ATOM 807 HB2 ASP A1054 0.074 57.786 16.433 1.00 0.00 H ATOM 808 HB3 ASP A1054 1.193 58.327 15.186 1.00 0.00 H ATOM 809 N ALA A1055 -0.353 57.083 12.851 1.00 14.06 N ATOM 810 CA ALA A1055 -0.179 55.808 12.160 1.00 14.14 C ATOM 811 C ALA A1055 1.187 55.749 11.461 1.00 12.58 C ATOM 812 O ALA A1055 1.681 56.780 11.003 1.00 11.54 O ATOM 813 CB ALA A1055 -1.342 55.592 11.184 1.00 14.08 C ATOM 814 H ALA A1055 0.122 57.882 12.455 1.00 0.00 H ATOM 815 HA ALA A1055 -0.202 55.016 12.906 1.00 0.00 H ATOM 816 HB1 ALA A1055 -1.232 54.624 10.693 1.00 0.00 H ATOM 817 HB2 ALA A1055 -2.287 55.609 11.728 1.00 0.00 H ATOM 818 HB3 ALA A1055 -1.344 56.381 10.430 1.00 0.00 H ATOM 819 N ASN A1056 1.837 54.580 11.509 1.00 12.82 N ATOM 820 CA ASN A1056 3.243 54.336 11.147 1.00 10.88 C ATOM 821 C ASN A1056 4.181 55.533 11.433 1.00 11.68 C ATOM 822 O ASN A1056 4.875 56.031 10.550 1.00 9.94 O ATOM 823 CB ASN A1056 3.325 53.756 9.719 1.00 11.42 C ATOM 824 CG ASN A1056 3.218 52.239 9.711 1.00 11.38 C ATOM 825 OD1 ASN A1056 2.555 51.614 10.522 1.00 11.95 O ATOM 826 ND2 ASN A1056 3.985 51.578 8.875 1.00 12.06 N ATOM 827 H ASN A1056 1.318 53.791 11.875 1.00 0.00 H ATOM 828 HA ASN A1056 3.602 53.561 11.825 1.00 0.00 H ATOM 829 HB2 ASN A1056 4.275 54.033 9.265 1.00 0.00 H ATOM 830 HB3 ASN A1056 2.529 54.166 9.099 1.00 0.00 H ATOM 831 HD21 ASN A1056 4.641 52.075 8.301 1.00 0.00 H ATOM 832 HD22 ASN A1056 4.015 50.584 8.999 1.00 0.00 H ATOM 833 N THR A1057 4.138 56.036 12.670 1.00 11.61 N ATOM 834 CA THR A1057 4.849 57.241 13.127 1.00 10.50 C ATOM 835 C THR A1057 5.594 56.951 14.430 1.00 10.72 C ATOM 836 O THR A1057 5.017 56.392 15.365 1.00 10.05 O ATOM 837 CB THR A1057 3.846 58.392 13.313 1.00 11.29 C ATOM 838 OG1 THR A1057 3.322 58.787 12.066 1.00 11.77 O ATOM 839 CG2 THR A1057 4.447 59.650 13.941 1.00 13.22 C ATOM 840 H THR A1057 3.532 55.571 13.340 1.00 0.00 H ATOM 841 HA THR A1057 5.576 57.551 12.376 1.00 0.00 H ATOM 842 HB THR A1057 3.027 58.047 13.944 1.00 0.00 H ATOM 843 HG1 THR A1057 2.898 58.021 11.644 1.00 0.00 H ATOM 844 HG21 THR A1057 3.692 60.437 13.956 1.00 0.00 H ATOM 845 HG22 THR A1057 5.306 59.985 13.358 1.00 0.00 H ATOM 846 HG23 THR A1057 4.754 59.451 14.966 1.00 0.00 H ATOM 847 N ILE A1058 6.880 57.308 14.519 1.00 9.36 N ATOM 848 CA ILE A1058 7.607 57.296 15.798 1.00 8.27 C ATOM 849 C ILE A1058 7.301 58.595 16.543 1.00 9.22 C ATOM 850 O ILE A1058 7.496 59.681 15.999 1.00 9.06 O ATOM 851 CB ILE A1058 9.129 57.098 15.616 1.00 9.70 C ATOM 852 CG1 ILE A1058 9.434 55.792 14.853 1.00 9.34 C ATOM 853 CG2 ILE A1058 9.841 57.080 16.986 1.00 9.88 C ATOM 854 CD1 ILE A1058 10.916 55.615 14.510 1.00 8.19 C ATOM 855 H ILE A1058 7.306 57.799 13.742 1.00 0.00 H ATOM 856 HA ILE A1058 7.246 56.469 16.406 1.00 0.00 H ATOM 857 HB ILE A1058 9.511 57.935 15.031 1.00 0.00 H ATOM 858 HG12 ILE A1058 8.898 55.799 13.909 1.00 0.00 H ATOM 859 HG13 ILE A1058 9.092 54.934 15.433 1.00 0.00 H ATOM 860 HG21 ILE A1058 10.921 57.071 16.845 1.00 0.00 H ATOM 861 HG22 ILE A1058 9.540 56.206 17.564 1.00 0.00 H ATOM 862 HG23 ILE A1058 9.617 57.979 17.561 1.00 0.00 H ATOM 863 HD11 ILE A1058 11.024 54.753 13.856 1.00 0.00 H ATOM 864 HD12 ILE A1058 11.286 56.501 13.993 1.00 0.00 H ATOM 865 HD13 ILE A1058 11.502 55.444 15.412 1.00 0.00 H ATOM 866 N VAL A1059 6.888 58.473 17.805 1.00 8.68 N ATOM 867 CA VAL A1059 6.670 59.596 18.722 1.00 10.34 C ATOM 868 C VAL A1059 7.638 59.487 19.900 1.00 8.86 C ATOM 869 O VAL A1059 7.775 58.407 20.477 1.00 9.65 O ATOM 870 CB VAL A1059 5.206 59.630 19.205 1.00 10.34 C ATOM 871 CG1 VAL A1059 4.916 60.925 19.965 1.00 12.01 C ATOM 872 CG2 VAL A1059 4.205 59.526 18.045 1.00 10.76 C ATOM 873 H VAL A1059 6.714 57.546 18.174 1.00 0.00 H ATOM 874 HA VAL A1059 6.875 60.531 18.201 1.00 0.00 H ATOM 875 HB VAL A1059 5.025 58.791 19.878 1.00 0.00 H ATOM 876 HG11 VAL A1059 3.872 60.945 20.262 1.00 0.00 H ATOM 877 HG12 VAL A1059 5.118 61.781 19.323 1.00 0.00 H ATOM 878 HG13 VAL A1059 5.528 60.989 20.864 1.00 0.00 H ATOM 879 HG21 VAL A1059 4.232 58.525 17.614 1.00 0.00 H ATOM 880 HG22 VAL A1059 4.446 60.251 17.276 1.00 0.00 H ATOM 881 HG23 VAL A1059 3.197 59.729 18.393 1.00 0.00 H ATOM 882 N CYS A1060 8.222 60.605 20.334 1.00 10.83 N ATOM 883 CA CYS A1060 9.094 60.671 21.512 1.00 10.34 C ATOM 884 C CYS A1060 8.652 61.783 22.473 1.00 11.68 C ATOM 885 O CYS A1060 8.289 62.877 22.041 1.00 12.58 O ATOM 886 CB CYS A1060 10.556 60.848 21.082 1.00 12.54 C ATOM 887 SG CYS A1060 11.095 59.453 20.060 1.00 13.50 S ATOM 888 H CYS A1060 8.071 61.461 19.809 1.00 0.00 H ATOM 889 HA CYS A1060 9.030 59.730 22.050 1.00 0.00 H ATOM 890 HB2 CYS A1060 11.192 60.917 21.964 1.00 0.00 H ATOM 891 HB3 CYS A1060 10.661 61.764 20.498 1.00 0.00 H ATOM 892 HG CYS A1060 10.932 60.131 18.903 1.00 0.00 H ATOM 893 N ASN A1061 8.735 61.562 23.787 1.00 11.62 N ATOM 894 CA ASN A1061 8.405 62.592 24.783 1.00 11.03 C ATOM 895 C ASN A1061 9.229 62.478 26.078 1.00 11.57 C ATOM 896 O ASN A1061 9.754 61.415 26.387 1.00 11.26 O ATOM 897 CB ASN A1061 6.891 62.558 25.069 1.00 12.06 C ATOM 898 CG ASN A1061 6.345 63.916 25.476 1.00 11.56 C ATOM 899 OD1 ASN A1061 7.071 64.879 25.698 1.00 11.63 O ATOM 900 ND2 ASN A1061 5.044 64.047 25.527 1.00 12.46 N ATOM 901 H ASN A1061 9.010 60.641 24.109 1.00 0.00 H ATOM 902 HA ASN A1061 8.649 63.561 24.347 1.00 0.00 H ATOM 903 HB2 ASN A1061 6.354 62.231 24.178 1.00 0.00 H ATOM 904 HB3 ASN A1061 6.681 61.849 25.869 1.00 0.00 H ATOM 905 HD21 ASN A1061 4.684 64.971 25.746 1.00 0.00 H ATOM 906 HD22 ASN A1061 4.438 63.284 25.282 1.00 0.00 H ATOM 907 N SER A1062 9.251 63.544 26.881 1.00 12.07 N ATOM 908 CA SER A1062 9.651 63.500 28.291 1.00 12.40 C ATOM 909 C SER A1062 8.430 63.359 29.194 1.00 13.93 C ATOM 910 O SER A1062 7.289 63.588 28.774 1.00 13.36 O ATOM 911 CB SER A1062 10.459 64.741 28.688 1.00 13.47 C ATOM 912 OG SER A1062 9.690 65.941 28.665 1.00 12.90 O ATOM 913 H SER A1062 8.650 64.315 26.618 1.00 0.00 H ATOM 914 HA SER A1062 10.292 62.633 28.455 1.00 0.00 H ATOM 915 HB2 SER A1062 11.310 64.822 28.014 1.00 0.00 H ATOM 916 HB3 SER A1062 10.848 64.601 29.696 1.00 0.00 H ATOM 917 HG SER A1062 9.570 66.215 29.603 1.00 0.00 H ATOM 918 N LYS A1063 8.689 63.044 30.461 1.00 14.14 N ATOM 919 CA LYS A1063 7.694 63.010 31.527 1.00 16.91 C ATOM 920 C LYS A1063 8.329 63.551 32.808 1.00 17.01 C ATOM 921 O LYS A1063 9.388 63.073 33.206 1.00 16.23 O ATOM 922 CB LYS A1063 7.184 61.571 31.657 1.00 16.51 C ATOM 923 CG LYS A1063 5.797 61.447 32.292 1.00 18.84 C ATOM 924 CD LYS A1063 5.543 59.956 32.540 1.00 20.68 C ATOM 925 CE LYS A1063 4.157 59.691 33.118 1.00 20.10 C ATOM 926 NZ LYS A1063 4.067 58.294 33.605 1.00 23.68 N ATOM 927 H LYS A1063 9.660 62.890 30.727 1.00 0.00 H ATOM 928 HA LYS A1063 6.872 63.660 31.244 1.00 0.00 H ATOM 929 HB2 LYS A1063 7.130 61.123 30.664 1.00 0.00 H ATOM 930 HB3 LYS A1063 7.903 61.005 32.246 1.00 0.00 H ATOM 931 HG2 LYS A1063 5.768 61.993 33.233 1.00 0.00 H ATOM 932 HG3 LYS A1063 5.042 61.854 31.619 1.00 0.00 H ATOM 933 HD2 LYS A1063 6.300 59.588 33.235 1.00 0.00 H ATOM 934 HD3 LYS A1063 5.640 59.410 31.603 1.00 0.00 H ATOM 935 HE2 LYS A1063 3.981 60.387 33.938 1.00 0.00 H ATOM 936 HE3 LYS A1063 3.406 59.895 32.348 1.00 0.00 H ATOM 937 HZ1 LYS A1063 3.220 58.147 34.135 1.00 0.00 H ATOM 938 HZ2 LYS A1063 4.112 57.648 32.831 1.00 0.00 H ATOM 939 HZ3 LYS A1063 4.865 58.073 34.205 1.00 0.00 H ATOM 940 N ASP A1064 7.709 64.549 33.417 1.00 20.17 N ATOM 941 CA ASP A1064 8.296 65.415 34.442 1.00 21.53 C ATOM 942 C ASP A1064 7.448 65.350 35.723 1.00 22.07 C ATOM 943 O ASP A1064 6.266 65.697 35.704 1.00 20.69 O ATOM 944 CB ASP A1064 8.440 66.827 33.850 1.00 24.25 C ATOM 945 CG ASP A1064 9.661 66.919 32.913 1.00 26.29 C ATOM 946 OD1 ASP A1064 10.765 67.101 33.471 1.00 26.93 O ATOM 947 OD2 ASP A1064 9.521 66.664 31.684 1.00 27.91 O ATOM 948 H ASP A1064 6.852 64.884 32.993 1.00 0.00 H ATOM 949 HA ASP A1064 9.300 65.067 34.689 1.00 0.00 H ATOM 950 HB2 ASP A1064 7.535 67.079 33.293 1.00 0.00 H ATOM 951 HB3 ASP A1064 8.536 67.544 34.669 1.00 0.00 H ATOM 952 N ASP A1065 7.938 64.536 36.671 1.00 22.65 N ATOM 953 CA ASP A1065 7.226 63.922 37.812 1.00 24.13 C ATOM 954 C ASP A1065 5.810 63.381 37.527 1.00 23.87 C ATOM 955 O ASP A1065 4.999 63.160 38.426 1.00 24.68 O ATOM 956 CB ASP A1065 7.315 64.774 39.095 1.00 27.28 C ATOM 957 CG ASP A1065 7.496 63.926 40.369 1.00 30.35 C ATOM 958 OD1 ASP A1065 8.031 62.793 40.258 1.00 30.78 O ATOM 959 OD2 ASP A1065 7.395 64.522 41.462 1.00 32.95 O ATOM 960 H ASP A1065 8.918 64.299 36.600 1.00 0.00 H ATOM 961 HA ASP A1065 7.800 63.017 37.993 1.00 0.00 H ATOM 962 HB2 ASP A1065 8.161 65.458 39.017 1.00 0.00 H ATOM 963 HB3 ASP A1065 6.409 65.377 39.186 1.00 0.00 H ATOM 964 N GLY A1066 5.570 62.975 36.278 1.00 21.11 N ATOM 965 CA GLY A1066 4.352 62.312 35.822 1.00 20.27 C ATOM 966 C GLY A1066 3.575 63.080 34.751 1.00 19.05 C ATOM 967 O GLY A1066 2.854 62.442 33.981 1.00 18.88 O ATOM 968 H GLY A1066 6.308 63.143 35.606 1.00 0.00 H ATOM 969 HA2 GLY A1066 3.679 62.156 36.665 1.00 0.00 H ATOM 970 HA3 GLY A1066 4.632 61.340 35.429 1.00 0.00 H ATOM 971 N ALA A1067 3.800 64.388 34.605 1.00 19.36 N ATOM 972 CA ALA A1067 3.232 65.199 33.529 1.00 19.56 C ATOM 973 C ALA A1067 3.990 64.987 32.207 1.00 18.57 C ATOM 974 O ALA A1067 5.215 64.980 32.194 1.00 19.01 O ATOM 975 CB ALA A1067 3.262 66.670 33.960 1.00 20.11 C ATOM 976 H ALA A1067 4.510 64.824 35.191 1.00 0.00 H ATOM 977 HA ALA A1067 2.192 64.907 33.379 1.00 0.00 H ATOM 978 HB1 ALA A1067 2.819 67.294 33.183 1.00 0.00 H ATOM 979 HB2 ALA A1067 4.295 66.986 34.121 1.00 0.00 H ATOM 980 HB3 ALA A1067 2.703 66.798 34.887 1.00 0.00 H ATOM 981 N TRP A1068 3.287 64.851 31.081 1.00 17.67 N ATOM 982 CA TRP A1068 3.920 64.747 29.759 1.00 17.25 C ATOM 983 C TRP A1068 4.445 66.099 29.255 1.00 17.18 C ATOM 984 O TRP A1068 3.741 67.106 29.339 1.00 18.40 O ATOM 985 CB TRP A1068 2.929 64.150 28.753 1.00 16.76 C ATOM 986 CG TRP A1068 2.467 62.759 29.065 1.00 16.73 C ATOM 987 CD1 TRP A1068 1.197 62.392 29.356 1.00 17.48 C ATOM 988 CD2 TRP A1068 3.247 61.528 29.075 1.00 15.41 C ATOM 989 NE1 TRP A1068 1.141 61.027 29.549 1.00 17.47 N ATOM 990 CE2 TRP A1068 2.379 60.435 29.382 1.00 17.08 C ATOM 991 CE3 TRP A1068 4.605 61.214 28.836 1.00 15.91 C ATOM 992 CZ2 TRP A1068 2.823 59.110 29.441 1.00 16.52 C ATOM 993 CZ3 TRP A1068 5.062 59.887 28.893 1.00 15.80 C ATOM 994 CH2 TRP A1068 4.181 58.832 29.185 1.00 14.82 C ATOM 995 H TRP A1068 2.284 64.908 31.122 1.00 0.00 H ATOM 996 HA TRP A1068 4.774 64.072 29.832 1.00 0.00 H ATOM 997 HB2 TRP A1068 3.404 64.128 27.773 1.00 0.00 H ATOM 998 HB3 TRP A1068 2.062 64.808 28.678 1.00 0.00 H ATOM 999 HD1 TRP A1068 0.356 63.073 29.400 1.00 0.00 H ATOM 1000 HE3 TRP A1068 5.292 62.011 28.590 1.00 0.00 H ATOM 1001 HZ2 TRP A1068 2.127 58.308 29.633 1.00 0.00 H ATOM 1002 HZ3 TRP A1068 6.101 59.678 28.685 1.00 0.00 H ATOM 1003 HH2 TRP A1068 4.542 57.814 29.184 1.00 0.00 H ATOM 1004 HE1 TRP A1068 0.280 60.528 29.719 1.00 0.00 H ATOM 1005 N GLY A1069 5.597 66.082 28.579 1.00 16.40 N ATOM 1006 CA GLY A1069 6.117 67.230 27.830 1.00 16.45 C ATOM 1007 C GLY A1069 5.503 67.387 26.430 1.00 14.38 C ATOM 1008 O GLY A1069 4.513 66.745 26.074 1.00 15.32 O ATOM 1009 H GLY A1069 6.120 65.213 28.538 1.00 0.00 H ATOM 1010 HA2 GLY A1069 5.934 68.147 28.392 1.00 0.00 H ATOM 1011 HA3 GLY A1069 7.195 67.112 27.726 1.00 0.00 H ATOM 1012 N THR A1070 6.166 68.163 25.568 1.00 15.91 N ATOM 1013 CA THR A1070 5.848 68.235 24.129 1.00 15.00 C ATOM 1014 C THR A1070 6.292 66.962 23.402 1.00 13.80 C ATOM 1015 O THR A1070 7.484 66.651 23.394 1.00 14.15 O ATOM 1016 CB THR A1070 6.538 69.448 23.483 1.00 14.99 C ATOM 1017 OG1 THR A1070 6.254 70.618 24.215 1.00 18.16 O ATOM 1018 CG2 THR A1070 6.098 69.696 22.041 1.00 15.21 C ATOM 1019 H THR A1070 6.949 68.702 25.903 1.00 0.00 H ATOM 1020 HA THR A1070 4.770 68.345 24.011 1.00 0.00 H ATOM 1021 HB THR A1070 7.618 69.295 23.500 1.00 0.00 H ATOM 1022 HG1 THR A1070 5.323 70.822 24.105 1.00 0.00 H ATOM 1023 HG21 THR A1070 6.572 70.605 21.668 1.00 0.00 H ATOM 1024 HG22 THR A1070 6.407 68.865 21.406 1.00 0.00 H ATOM 1025 HG23 THR A1070 5.015 69.805 21.987 1.00 0.00 H ATOM 1026 N GLU A1071 5.388 66.310 22.669 1.00 13.00 N ATOM 1027 CA GLU A1071 5.732 65.189 21.784 1.00 12.33 C ATOM 1028 C GLU A1071 6.566 65.647 20.570 1.00 12.85 C ATOM 1029 O GLU A1071 6.094 66.417 19.734 1.00 11.73 O ATOM 1030 CB GLU A1071 4.460 64.479 21.296 1.00 12.06 C ATOM 1031 CG GLU A1071 3.726 63.677 22.382 1.00 14.75 C ATOM 1032 CD GLU A1071 2.589 62.807 21.813 1.00 13.75 C ATOM 1033 OE1 GLU A1071 2.100 63.099 20.697 1.00 13.13 O ATOM 1034 OE2 GLU A1071 2.364 61.698 22.346 1.00 17.21 O ATOM 1035 H GLU A1071 4.428 66.614 22.684 1.00 0.00 H ATOM 1036 HA GLU A1071 6.324 64.466 22.346 1.00 0.00 H ATOM 1037 HB2 GLU A1071 4.751 63.792 20.502 1.00 0.00 H ATOM 1038 HB3 GLU A1071 3.777 65.220 20.877 1.00 0.00 H ATOM 1039 HG2 GLU A1071 4.450 63.031 22.883 1.00 0.00 H ATOM 1040 HG3 GLU A1071 3.315 64.368 23.121 1.00 0.00 H ATOM 1041 N GLN A1072 7.770 65.093 20.430 1.00 10.68 N ATOM 1042 CA GLN A1072 8.543 65.051 19.187 1.00 10.90 C ATOM 1043 C GLN A1072 8.034 63.911 18.284 1.00 9.98 C ATOM 1044 O GLN A1072 7.420 62.957 18.773 1.00 11.63 O ATOM 1045 CB GLN A1072 10.027 64.889 19.564 1.00 10.53 C ATOM 1046 CG GLN A1072 11.021 65.035 18.401 1.00 10.25 C ATOM 1047 CD GLN A1072 12.471 64.986 18.885 1.00 11.24 C ATOM 1048 OE1 GLN A1072 12.859 65.683 19.818 1.00 12.24 O ATOM 1049 NE2 GLN A1072 13.320 64.201 18.266 1.00 11.20 N ATOM 1050 H GLN A1072 8.022 64.388 21.114 1.00 0.00 H ATOM 1051 HA GLN A1072 8.418 65.994 18.655 1.00 0.00 H ATOM 1052 HB2 GLN A1072 10.167 63.907 20.014 1.00 0.00 H ATOM 1053 HB3 GLN A1072 10.268 65.643 20.315 1.00 0.00 H ATOM 1054 HG2 GLN A1072 10.857 64.242 17.675 1.00 0.00 H ATOM 1055 HG3 GLN A1072 10.862 65.989 17.901 1.00 0.00 H ATOM 1056 HE21 GLN A1072 14.281 64.184 18.576 1.00 0.00 H ATOM 1057 HE22 GLN A1072 12.973 63.555 17.543 1.00 0.00 H ATOM 1058 N ARG A1073 8.228 64.034 16.965 1.00 8.93 N ATOM 1059 CA ARG A1073 7.908 63.005 15.964 1.00 9.10 C ATOM 1060 C ARG A1073 9.046 62.882 14.963 1.00 9.98 C ATOM 1061 O ARG A1073 9.516 63.894 14.446 1.00 9.48 O ATOM 1062 CB ARG A1073 6.580 63.314 15.251 1.00 10.51 C ATOM 1063 CG ARG A1073 5.393 62.835 16.089 1.00 12.31 C ATOM 1064 CD ARG A1073 4.046 63.274 15.503 1.00 13.89 C ATOM 1065 NE ARG A1073 2.909 62.751 16.283 1.00 13.41 N ATOM 1066 CZ ARG A1073 2.553 63.049 17.517 1.00 14.87 C ATOM 1067 NH1 ARG A1073 3.173 63.907 18.268 1.00 15.40 N ATOM 1068 NH2 ARG A1073 1.560 62.453 18.084 1.00 16.05 N ATOM 1069 H ARG A1073 8.799 64.802 16.642 1.00 0.00 H ATOM 1070 HA ARG A1073 7.833 62.038 16.463 1.00 0.00 H ATOM 1071 HB2 ARG A1073 6.503 64.386 15.061 1.00 0.00 H ATOM 1072 HB3 ARG A1073 6.551 62.790 14.294 1.00 0.00 H ATOM 1073 HG2 ARG A1073 5.485 63.226 17.099 1.00 0.00 H ATOM 1074 HG3 ARG A1073 5.433 61.749 16.125 1.00 0.00 H ATOM 1075 HD2 ARG A1073 4.000 64.364 15.476 1.00 0.00 H ATOM 1076 HD3 ARG A1073 3.970 62.902 14.480 1.00 0.00 H ATOM 1077 HE ARG A1073 2.310 62.044 15.848 1.00 0.00 H ATOM 1078 HH11 ARG A1073 4.032 64.318 17.964 1.00 0.00 H ATOM 1079 HH12 ARG A1073 2.889 63.899 19.247 1.00 0.00 H ATOM 1080 HH21 ARG A1073 1.110 61.673 17.594 1.00 0.00 H ATOM 1081 HH22 ARG A1073 1.437 62.596 19.083 1.00 0.00 H ATOM 1082 N GLU A1074 9.421 61.648 14.649 1.00 8.83 N ATOM 1083 CA GLU A1074 10.608 61.338 13.845 1.00 8.48 C ATOM 1084 C GLU A1074 10.215 60.926 12.416 1.00 9.32 C ATOM 1085 O GLU A1074 9.187 60.288 12.197 1.00 9.93 O ATOM 1086 CB GLU A1074 11.493 60.272 14.521 1.00 8.87 C ATOM 1087 CG GLU A1074 11.406 60.189 16.057 1.00 9.41 C ATOM 1088 CD GLU A1074 11.603 61.518 16.808 1.00 10.83 C ATOM 1089 OE1 GLU A1074 12.374 62.389 16.344 1.00 14.37 O ATOM 1090 OE2 GLU A1074 10.945 61.686 17.861 1.00 10.56 O ATOM 1091 H GLU A1074 8.919 60.879 15.078 1.00 0.00 H ATOM 1092 HA GLU A1074 11.218 62.241 13.771 1.00 0.00 H ATOM 1093 HB2 GLU A1074 11.241 59.292 14.114 1.00 0.00 H ATOM 1094 HB3 GLU A1074 12.530 60.472 14.247 1.00 0.00 H ATOM 1095 HG2 GLU A1074 12.141 59.463 16.397 1.00 0.00 H ATOM 1096 HG3 GLU A1074 10.425 59.790 16.316 1.00 0.00 H ATOM 1097 N ALA A1075 11.037 61.282 11.425 1.00 9.00 N ATOM 1098 CA ALA A1075 10.661 61.262 10.004 1.00 9.18 C ATOM 1099 C ALA A1075 10.663 59.873 9.314 1.00 9.77 C ATOM 1100 O ALA A1075 10.708 59.807 8.085 1.00 10.58 O ATOM 1101 CB ALA A1075 11.554 62.278 9.277 1.00 10.09 C ATOM 1102 H ALA A1075 11.890 61.760 11.668 1.00 0.00 H ATOM 1103 HA ALA A1075 9.632 61.621 9.937 1.00 0.00 H ATOM 1104 HB1 ALA A1075 11.224 62.384 8.242 1.00 0.00 H ATOM 1105 HB2 ALA A1075 11.487 63.251 9.765 1.00 0.00 H ATOM 1106 HB3 ALA A1075 12.588 61.934 9.286 1.00 0.00 H ATOM 1107 N VAL A1076 10.695 58.770 10.071 1.00 9.85 N ATOM 1108 CA VAL A1076 10.833 57.390 9.559 1.00 8.84 C ATOM 1109 C VAL A1076 10.037 56.389 10.405 1.00 7.57 C ATOM 1110 O VAL A1076 9.732 56.653 11.567 1.00 8.59 O ATOM 1111 CB VAL A1076 12.312 56.946 9.476 1.00 9.48 C ATOM 1112 CG1 VAL A1076 13.136 57.790 8.499 1.00 11.66 C ATOM 1113 CG2 VAL A1076 13.016 56.938 10.837 1.00 9.66 C ATOM 1114 H VAL A1076 10.527 58.882 11.064 1.00 0.00 H ATOM 1115 HA VAL A1076 10.420 57.353 8.551 1.00 0.00 H ATOM 1116 HB VAL A1076 12.325 55.926 9.091 1.00 0.00 H ATOM 1117 HG11 VAL A1076 12.636 57.829 7.532 1.00 0.00 H ATOM 1118 HG12 VAL A1076 13.259 58.802 8.883 1.00 0.00 H ATOM 1119 HG13 VAL A1076 14.119 57.337 8.372 1.00 0.00 H ATOM 1120 HG21 VAL A1076 14.019 56.530 10.715 1.00 0.00 H ATOM 1121 HG22 VAL A1076 12.477 56.311 11.546 1.00 0.00 H ATOM 1122 HG23 VAL A1076 13.087 57.950 11.235 1.00 0.00 H ATOM 1123 N PHE A1077 9.792 55.189 9.865 1.00 8.24 N ATOM 1124 CA PHE A1077 9.151 54.089 10.600 1.00 8.61 C ATOM 1125 C PHE A1077 9.675 52.691 10.189 1.00 9.38 C ATOM 1126 O PHE A1077 8.947 51.912 9.572 1.00 9.14 O ATOM 1127 CB PHE A1077 7.625 54.225 10.483 1.00 8.91 C ATOM 1128 CG PHE A1077 6.864 53.453 11.543 1.00 8.97 C ATOM 1129 CD1 PHE A1077 6.331 52.179 11.280 1.00 9.59 C ATOM 1130 CD2 PHE A1077 6.665 54.037 12.804 1.00 8.70 C ATOM 1131 CE1 PHE A1077 5.587 51.511 12.266 1.00 11.49 C ATOM 1132 CE2 PHE A1077 5.915 53.375 13.789 1.00 9.67 C ATOM 1133 CZ PHE A1077 5.378 52.105 13.523 1.00 9.90 C ATOM 1134 H PHE A1077 10.089 55.017 8.917 1.00 0.00 H ATOM 1135 HA PHE A1077 9.391 54.207 11.657 1.00 0.00 H ATOM 1136 HB2 PHE A1077 7.364 55.278 10.593 1.00 0.00 H ATOM 1137 HB3 PHE A1077 7.296 53.919 9.489 1.00 0.00 H ATOM 1138 HD1 PHE A1077 6.489 51.709 10.319 1.00 0.00 H ATOM 1139 HD2 PHE A1077 7.058 55.022 12.994 1.00 0.00 H ATOM 1140 HE1 PHE A1077 5.179 50.536 12.050 1.00 0.00 H ATOM 1141 HE2 PHE A1077 5.736 53.852 14.739 1.00 0.00 H ATOM 1142 HZ PHE A1077 4.804 51.589 14.278 1.00 0.00 H ATOM 1143 N PRO A1078 10.934 52.344 10.520 1.00 11.27 N ATOM 1144 CA PRO A1078 11.531 51.015 10.304 1.00 11.80 C ATOM 1145 C PRO A1078 11.004 49.938 11.282 1.00 13.39 C ATOM 1146 O PRO A1078 11.772 49.201 11.906 1.00 13.12 O ATOM 1147 CB PRO A1078 13.043 51.256 10.410 1.00 10.73 C ATOM 1148 CG PRO A1078 13.118 52.370 11.450 1.00 12.06 C ATOM 1149 CD PRO A1078 11.934 53.246 11.073 1.00 12.17 C ATOM 1150 HA PRO A1078 11.303 50.674 9.294 1.00 0.00 H ATOM 1151 HB2 PRO A1078 13.410 51.627 9.453 1.00 0.00 H ATOM 1152 HB3 PRO A1078 13.612 50.375 10.707 1.00 0.00 H ATOM 1153 HG2 PRO A1078 12.954 51.965 12.447 1.00 0.00 H ATOM 1154 HG3 PRO A1078 14.052 52.924 11.394 1.00 0.00 H ATOM 1155 HD2 PRO A1078 11.566 53.775 11.950 1.00 0.00 H ATOM 1156 HD3 PRO A1078 12.250 53.954 10.307 1.00 0.00 H ATOM 1157 N PHE A1079 9.684 49.884 11.486 1.00 13.54 N ATOM 1158 CA PHE A1079 9.018 48.900 12.339 1.00 15.01 C ATOM 1159 C PHE A1079 7.869 48.216 11.597 1.00 17.06 C ATOM 1160 O PHE A1079 6.996 48.858 11.016 1.00 16.73 O ATOM 1161 CB PHE A1079 8.542 49.540 13.650 1.00 14.14 C ATOM 1162 CG PHE A1079 9.657 50.080 14.523 1.00 11.98 C ATOM 1163 CD1 PHE A1079 9.864 51.468 14.633 1.00 11.65 C ATOM 1164 CD2 PHE A1079 10.498 49.188 15.217 1.00 12.42 C ATOM 1165 CE1 PHE A1079 10.910 51.958 15.433 1.00 13.33 C ATOM 1166 CE2 PHE A1079 11.546 49.682 16.014 1.00 11.78 C ATOM 1167 CZ PHE A1079 11.752 51.066 16.119 1.00 11.97 C ATOM 1168 H PHE A1079 9.099 50.458 10.886 1.00 0.00 H ATOM 1169 HA PHE A1079 9.738 48.124 12.599 1.00 0.00 H ATOM 1170 HB2 PHE A1079 7.842 50.343 13.420 1.00 0.00 H ATOM 1171 HB3 PHE A1079 8.001 48.788 14.223 1.00 0.00 H ATOM 1172 HD1 PHE A1079 9.226 52.155 14.094 1.00 0.00 H ATOM 1173 HD2 PHE A1079 10.353 48.123 15.121 1.00 0.00 H ATOM 1174 HE1 PHE A1079 11.073 53.022 15.512 1.00 0.00 H ATOM 1175 HE2 PHE A1079 12.202 49.000 16.534 1.00 0.00 H ATOM 1176 HZ PHE A1079 12.567 51.443 16.717 1.00 0.00 H ATOM 1177 N GLN A1080 7.815 46.888 11.704 1.00 19.18 N ATOM 1178 CA GLN A1080 6.890 46.041 10.952 1.00 22.03 C ATOM 1179 C GLN A1080 6.206 45.048 11.905 1.00 22.54 C ATOM 1180 O GLN A1080 6.919 44.370 12.655 1.00 21.85 O ATOM 1181 CB GLN A1080 7.621 45.286 9.820 1.00 23.29 C ATOM 1182 CG GLN A1080 8.523 46.129 8.896 1.00 26.69 C ATOM 1183 CD GLN A1080 9.846 46.640 9.482 1.00 28.46 C ATOM 1184 OE1 GLN A1080 10.318 47.695 9.108 1.00 29.34 O ATOM 1185 NE2 GLN A1080 10.454 46.021 10.476 1.00 29.31 N ATOM 1186 H GLN A1080 8.569 46.429 12.193 1.00 0.00 H ATOM 1187 HA GLN A1080 6.138 46.670 10.480 1.00 0.00 H ATOM 1188 HB2 GLN A1080 8.203 44.467 10.230 1.00 0.00 H ATOM 1189 HB3 GLN A1080 6.852 44.834 9.193 1.00 0.00 H ATOM 1190 HG2 GLN A1080 8.778 45.512 8.035 1.00 0.00 H ATOM 1191 HG3 GLN A1080 7.951 46.984 8.534 1.00 0.00 H ATOM 1192 HE21 GLN A1080 10.122 45.156 10.878 1.00 0.00 H ATOM 1193 HE22 GLN A1080 11.295 46.474 10.801 1.00 0.00 H ATOM 1194 N PRO A1081 4.874 44.865 11.835 1.00 23.61 N ATOM 1195 CA PRO A1081 4.182 43.826 12.592 1.00 23.27 C ATOM 1196 C PRO A1081 4.773 42.428 12.346 1.00 23.34 C ATOM 1197 O PRO A1081 5.153 42.089 11.226 1.00 22.86 O ATOM 1198 CB PRO A1081 2.709 43.931 12.188 1.00 24.72 C ATOM 1199 CG PRO A1081 2.561 45.402 11.805 1.00 25.00 C ATOM 1200 CD PRO A1081 3.905 45.708 11.148 1.00 24.58 C ATOM 1201 HA PRO A1081 4.265 44.069 13.648 1.00 0.00 H ATOM 1202 HB2 PRO A1081 2.509 43.304 11.316 1.00 0.00 H ATOM 1203 HB3 PRO A1081 2.046 43.671 13.010 1.00 0.00 H ATOM 1204 HG2 PRO A1081 2.444 46.008 12.705 1.00 0.00 H ATOM 1205 HG3 PRO A1081 1.728 45.562 11.120 1.00 0.00 H ATOM 1206 HD2 PRO A1081 3.873 45.437 10.092 1.00 0.00 H ATOM 1207 HD3 PRO A1081 4.136 46.768 11.264 1.00 0.00 H ATOM 1208 N GLY A1082 4.980 41.665 13.420 1.00 23.72 N ATOM 1209 CA GLY A1082 5.581 40.325 13.394 1.00 23.77 C ATOM 1210 C GLY A1082 7.108 40.267 13.233 1.00 24.60 C ATOM 1211 O GLY A1082 7.670 39.174 13.293 1.00 25.76 O ATOM 1212 H GLY A1082 4.661 42.016 14.316 1.00 0.00 H ATOM 1213 HA2 GLY A1082 5.145 39.765 12.567 1.00 0.00 H ATOM 1214 HA3 GLY A1082 5.326 39.808 14.319 1.00 0.00 H ATOM 1215 N SER A1083 7.794 41.390 12.988 1.00 23.58 N ATOM 1216 CA SER A1083 9.252 41.407 12.766 1.00 23.09 C ATOM 1217 C SER A1083 10.072 41.455 14.064 1.00 21.67 C ATOM 1218 O SER A1083 9.623 41.966 15.090 1.00 20.64 O ATOM 1219 CB SER A1083 9.654 42.536 11.809 1.00 25.10 C ATOM 1220 OG SER A1083 9.495 43.825 12.372 1.00 29.60 O ATOM 1221 H SER A1083 7.282 42.261 12.951 1.00 0.00 H ATOM 1222 HA SER A1083 9.517 40.476 12.265 1.00 0.00 H ATOM 1223 HB2 SER A1083 10.702 42.408 11.535 1.00 0.00 H ATOM 1224 HB3 SER A1083 9.054 42.458 10.902 1.00 0.00 H ATOM 1225 HG SER A1083 8.556 43.937 12.621 1.00 0.00 H ATOM 1226 N VAL A1084 11.322 40.984 13.999 1.00 20.34 N ATOM 1227 CA VAL A1084 12.353 41.303 15.001 1.00 19.72 C ATOM 1228 C VAL A1084 12.886 42.714 14.738 1.00 18.58 C ATOM 1229 O VAL A1084 13.224 43.030 13.599 1.00 18.82 O ATOM 1230 CB VAL A1084 13.509 40.279 14.986 1.00 20.30 C ATOM 1231 CG1 VAL A1084 14.614 40.619 16.000 1.00 20.30 C ATOM 1232 CG2 VAL A1084 13.016 38.865 15.316 1.00 21.81 C ATOM 1233 H VAL A1084 11.646 40.643 13.108 1.00 0.00 H ATOM 1234 HA VAL A1084 11.899 41.285 15.990 1.00 0.00 H ATOM 1235 HB VAL A1084 13.951 40.260 13.989 1.00 0.00 H ATOM 1236 HG21 VAL A1084 13.836 38.155 15.220 1.00 0.00 H ATOM 1237 HG22 VAL A1084 12.221 38.566 14.634 1.00 0.00 H ATOM 1238 HG23 VAL A1084 12.641 38.833 16.336 1.00 0.00 H ATOM 1239 HG11 VAL A1084 15.359 39.824 16.016 1.00 0.00 H ATOM 1240 HG12 VAL A1084 15.115 41.544 15.714 1.00 0.00 H ATOM 1241 HG13 VAL A1084 14.183 40.733 16.996 1.00 0.00 H ATOM 1242 N ALA A1085 13.117 43.489 15.797 1.00 17.40 N ATOM 1243 CA ALA A1085 13.723 44.818 15.742 1.00 16.69 C ATOM 1244 C ALA A1085 14.711 45.035 16.905 1.00 16.29 C ATOM 1245 O ALA A1085 14.527 44.483 17.993 1.00 16.25 O ATOM 1246 CB ALA A1085 12.594 45.858 15.729 1.00 16.05 C ATOM 1247 H ALA A1085 12.836 43.145 16.709 1.00 0.00 H ATOM 1248 HA ALA A1085 14.286 44.919 14.812 1.00 0.00 H ATOM 1249 HB1 ALA A1085 13.014 46.860 15.730 1.00 0.00 H ATOM 1250 HB2 ALA A1085 11.964 45.740 16.609 1.00 0.00 H ATOM 1251 HB3 ALA A1085 11.986 45.729 14.833 1.00 0.00 H ATOM 1252 N GLU A1086 15.715 45.892 16.697 1.00 15.89 N ATOM 1253 CA GLU A1086 16.630 46.400 17.732 1.00 14.35 C ATOM 1254 C GLU A1086 16.664 47.932 17.713 1.00 14.65 C ATOM 1255 O GLU A1086 16.684 48.539 16.645 1.00 13.27 O ATOM 1256 CB GLU A1086 18.039 45.787 17.583 1.00 15.54 C ATOM 1257 CG GLU A1086 19.098 46.393 18.538 1.00 18.41 C ATOM 1258 CD GLU A1086 20.314 45.482 18.763 1.00 21.35 C ATOM 1259 OE1 GLU A1086 20.098 44.267 18.979 1.00 22.73 O ATOM 1260 OE2 GLU A1086 21.452 45.975 18.927 1.00 23.51 O ATOM 1261 H GLU A1086 15.772 46.361 15.803 1.00 0.00 H ATOM 1262 HA GLU A1086 16.248 46.101 18.703 1.00 0.00 H ATOM 1263 HB2 GLU A1086 17.946 44.718 17.768 1.00 0.00 H ATOM 1264 HB3 GLU A1086 18.382 45.917 16.555 1.00 0.00 H ATOM 1265 HG2 GLU A1086 19.423 47.358 18.145 1.00 0.00 H ATOM 1266 HG3 GLU A1086 18.633 46.560 19.512 1.00 0.00 H ATOM 1267 N VAL A1087 16.699 48.546 18.894 1.00 14.31 N ATOM 1268 CA VAL A1087 16.898 49.986 19.084 1.00 15.16 C ATOM 1269 C VAL A1087 18.069 50.187 20.043 1.00 15.05 C ATOM 1270 O VAL A1087 18.122 49.554 21.101 1.00 14.63 O ATOM 1271 CB VAL A1087 15.613 50.672 19.592 1.00 15.84 C ATOM 1272 CG1 VAL A1087 15.783 52.191 19.696 1.00 19.60 C ATOM 1273 CG2 VAL A1087 14.419 50.411 18.664 1.00 17.53 C ATOM 1274 H VAL A1087 16.688 47.972 19.732 1.00 0.00 H ATOM 1275 HA VAL A1087 17.162 50.439 18.128 1.00 0.00 H ATOM 1276 HB VAL A1087 15.368 50.283 20.582 1.00 0.00 H ATOM 1277 HG11 VAL A1087 16.595 52.436 20.378 1.00 0.00 H ATOM 1278 HG12 VAL A1087 16.010 52.609 18.715 1.00 0.00 H ATOM 1279 HG13 VAL A1087 14.867 52.646 20.075 1.00 0.00 H ATOM 1280 HG21 VAL A1087 14.173 49.349 18.658 1.00 0.00 H ATOM 1281 HG22 VAL A1087 13.548 50.964 19.015 1.00 0.00 H ATOM 1282 HG23 VAL A1087 14.670 50.725 17.651 1.00 0.00 H ATOM 1283 N CYS A1088 19.027 51.028 19.658 1.00 14.20 N ATOM 1284 CA CYS A1088 20.165 51.412 20.498 1.00 14.71 C ATOM 1285 C CYS A1088 19.981 52.858 20.965 1.00 15.16 C ATOM 1286 O CYS A1088 19.670 53.726 20.150 1.00 15.18 O ATOM 1287 CB CYS A1088 21.475 51.248 19.717 1.00 18.15 C ATOM 1288 SG CYS A1088 21.644 49.563 19.073 1.00 22.95 S ATOM 1289 H CYS A1088 18.875 51.558 18.804 1.00 0.00 H ATOM 1290 HA CYS A1088 20.214 50.773 21.380 1.00 0.00 H ATOM 1291 HB2 CYS A1088 21.494 51.952 18.889 1.00 0.00 H ATOM 1292 HB3 CYS A1088 22.317 51.465 20.376 1.00 0.00 H ATOM 1293 HG CYS A1088 20.538 49.563 18.318 1.00 0.00 H ATOM 1294 N ILE A1089 20.171 53.126 22.255 1.00 14.17 N ATOM 1295 CA ILE A1089 19.868 54.420 22.873 1.00 13.72 C ATOM 1296 C ILE A1089 21.094 54.891 23.662 1.00 14.45 C ATOM 1297 O ILE A1089 21.306 54.476 24.801 1.00 13.02 O ATOM 1298 CB ILE A1089 18.561 54.348 23.702 1.00 14.32 C ATOM 1299 CG1 ILE A1089 17.385 53.843 22.827 1.00 15.75 C ATOM 1300 CG2 ILE A1089 18.263 55.742 24.282 1.00 14.57 C ATOM 1301 CD1 ILE A1089 16.020 53.737 23.517 1.00 18.54 C ATOM 1302 H ILE A1089 20.396 52.357 22.881 1.00 0.00 H ATOM 1303 HA ILE A1089 19.691 55.151 22.088 1.00 0.00 H ATOM 1304 HB ILE A1089 18.701 53.649 24.527 1.00 0.00 H ATOM 1305 HG12 ILE A1089 17.620 52.840 22.472 1.00 0.00 H ATOM 1306 HG13 ILE A1089 17.284 54.491 21.956 1.00 0.00 H ATOM 1307 HD11 ILE A1089 15.300 53.311 22.819 1.00 0.00 H ATOM 1308 HD12 ILE A1089 15.662 54.719 23.821 1.00 0.00 H ATOM 1309 HD13 ILE A1089 16.098 53.080 24.382 1.00 0.00 H ATOM 1310 HG21 ILE A1089 19.084 56.066 24.923 1.00 0.00 H ATOM 1311 HG22 ILE A1089 18.136 56.464 23.476 1.00 0.00 H ATOM 1312 HG23 ILE A1089 17.364 55.717 24.892 1.00 0.00 H ATOM 1313 N THR A1090 21.971 55.642 22.992 1.00 15.19 N ATOM 1314 CA THR A1090 23.177 56.228 23.602 1.00 17.39 C ATOM 1315 C THR A1090 22.812 57.514 24.330 1.00 17.94 C ATOM 1316 O THR A1090 22.172 58.397 23.759 1.00 17.75 O ATOM 1317 CB THR A1090 24.269 56.519 22.565 1.00 18.28 C ATOM 1318 OG1 THR A1090 24.537 55.363 21.811 1.00 18.64 O ATOM 1319 CG2 THR A1090 25.584 56.958 23.209 1.00 20.20 C ATOM 1320 H THR A1090 21.639 56.050 22.124 1.00 0.00 H ATOM 1321 HA THR A1090 23.593 55.534 24.328 1.00 0.00 H ATOM 1322 HB THR A1090 23.929 57.300 21.888 1.00 0.00 H ATOM 1323 HG1 THR A1090 23.697 55.025 21.494 1.00 0.00 H ATOM 1324 HG21 THR A1090 26.351 57.057 22.441 1.00 0.00 H ATOM 1325 HG22 THR A1090 25.463 57.919 23.708 1.00 0.00 H ATOM 1326 HG23 THR A1090 25.911 56.213 23.938 1.00 0.00 H ATOM 1327 N PHE A1091 23.193 57.631 25.594 1.00 19.97 N ATOM 1328 CA PHE A1091 22.835 58.765 26.439 1.00 22.11 C ATOM 1329 C PHE A1091 23.925 59.849 26.387 1.00 23.30 C ATOM 1330 O PHE A1091 24.936 59.721 27.062 1.00 23.18 O ATOM 1331 CB PHE A1091 22.598 58.181 27.842 1.00 21.29 C ATOM 1332 CG PHE A1091 22.364 59.148 28.984 1.00 23.59 C ATOM 1333 CD1 PHE A1091 22.865 58.816 30.255 1.00 24.69 C ATOM 1334 CD2 PHE A1091 21.628 60.339 28.812 1.00 24.72 C ATOM 1335 CE1 PHE A1091 22.666 59.677 31.343 1.00 24.83 C ATOM 1336 CE2 PHE A1091 21.414 61.195 29.908 1.00 25.80 C ATOM 1337 CZ PHE A1091 21.934 60.861 31.170 1.00 25.37 C ATOM 1338 H PHE A1091 23.745 56.884 26.013 1.00 0.00 H ATOM 1339 HA PHE A1091 21.903 59.212 26.092 1.00 0.00 H ATOM 1340 HB2 PHE A1091 21.738 57.512 27.792 1.00 0.00 H ATOM 1341 HB3 PHE A1091 23.465 57.569 28.098 1.00 0.00 H ATOM 1342 HD1 PHE A1091 23.408 57.891 30.396 1.00 0.00 H ATOM 1343 HD2 PHE A1091 21.228 60.607 27.845 1.00 0.00 H ATOM 1344 HE1 PHE A1091 23.075 59.426 32.310 1.00 0.00 H ATOM 1345 HE2 PHE A1091 20.853 62.110 29.777 1.00 0.00 H ATOM 1346 HZ PHE A1091 21.772 61.512 32.011 1.00 0.00 H ATOM 1347 N ASP A1092 23.735 60.957 25.662 1.00 25.27 N ATOM 1348 CA ASP A1092 24.472 62.195 25.953 1.00 27.70 C ATOM 1349 C ASP A1092 23.759 62.980 27.069 1.00 27.46 C ATOM 1350 O ASP A1092 22.535 63.076 27.088 1.00 27.71 O ATOM 1351 CB ASP A1092 24.757 63.090 24.722 1.00 31.20 C ATOM 1352 CG ASP A1092 23.753 63.091 23.560 1.00 35.03 C ATOM 1353 OD1 ASP A1092 23.704 62.075 22.830 1.00 37.61 O ATOM 1354 OD2 ASP A1092 23.509 64.215 23.047 1.00 37.74 O ATOM 1355 H ASP A1092 22.873 61.051 25.131 1.00 0.00 H ATOM 1356 HA ASP A1092 25.451 61.920 26.347 1.00 0.00 H ATOM 1357 HB2 ASP A1092 24.873 64.118 25.072 1.00 0.00 H ATOM 1358 HB3 ASP A1092 25.729 62.797 24.322 1.00 0.00 H ATOM 1359 N GLN A1093 24.508 63.743 27.874 1.00 27.80 N ATOM 1360 CA GLN A1093 23.913 64.601 28.914 1.00 28.21 C ATOM 1361 C GLN A1093 22.927 65.644 28.342 1.00 26.94 C ATOM 1362 O GLN A1093 21.967 66.005 29.011 1.00 27.03 O ATOM 1363 CB GLN A1093 25.046 65.255 29.730 1.00 30.75 C ATOM 1364 CG GLN A1093 24.585 66.249 30.816 1.00 34.69 C ATOM 1365 CD GLN A1093 23.552 65.684 31.790 1.00 36.33 C ATOM 1366 OE1 GLN A1093 22.498 66.254 32.006 1.00 39.12 O ATOM 1367 NE2 GLN A1093 23.727 64.476 32.276 1.00 37.39 N ATOM 1368 H GLN A1093 25.511 63.651 27.832 1.00 0.00 H ATOM 1369 HA GLN A1093 23.333 63.958 29.580 1.00 0.00 H ATOM 1370 HB2 GLN A1093 25.712 65.784 29.047 1.00 0.00 H ATOM 1371 HB3 GLN A1093 25.627 64.466 30.208 1.00 0.00 H ATOM 1372 HG2 GLN A1093 25.457 66.559 31.391 1.00 0.00 H ATOM 1373 HG3 GLN A1093 24.168 67.137 30.341 1.00 0.00 H ATOM 1374 HE21 GLN A1093 22.926 64.101 32.777 1.00 0.00 H ATOM 1375 HE22 GLN A1093 24.546 63.935 32.093 1.00 0.00 H ATOM 1376 N ALA A1094 23.086 66.049 27.078 1.00 25.38 N ATOM 1377 CA ALA A1094 22.137 66.917 26.383 1.00 23.51 C ATOM 1378 C ALA A1094 20.929 66.176 25.764 1.00 22.44 C ATOM 1379 O ALA A1094 19.865 66.777 25.618 1.00 21.33 O ATOM 1380 CB ALA A1094 22.920 67.693 25.317 1.00 24.59 C ATOM 1381 H ALA A1094 23.845 65.655 26.549 1.00 0.00 H ATOM 1382 HA ALA A1094 21.730 67.640 27.094 1.00 0.00 H ATOM 1383 HB1 ALA A1094 22.242 68.359 24.782 1.00 0.00 H ATOM 1384 HB2 ALA A1094 23.377 66.999 24.611 1.00 0.00 H ATOM 1385 HB3 ALA A1094 23.698 68.289 25.793 1.00 0.00 H ATOM 1386 N ASN A1095 21.073 64.913 25.341 1.00 20.81 N ATOM 1387 CA ASN A1095 20.065 64.160 24.579 1.00 20.49 C ATOM 1388 C ASN A1095 20.217 62.644 24.774 1.00 18.25 C ATOM 1389 O ASN A1095 21.326 62.126 24.737 1.00 20.17 O ATOM 1390 CB ASN A1095 20.145 64.447 23.061 1.00 21.73 C ATOM 1391 CG ASN A1095 20.399 65.882 22.669 1.00 24.25 C ATOM 1392 OD1 ASN A1095 19.508 66.615 22.281 1.00 27.18 O ATOM 1393 ND2 ASN A1095 21.648 66.247 22.521 1.00 26.05 N ATOM 1394 H ASN A1095 21.905 64.400 25.613 1.00 0.00 H ATOM 1395 HA ASN A1095 19.077 64.441 24.940 1.00 0.00 H ATOM 1396 HB2 ASN A1095 20.925 63.829 22.622 1.00 0.00 H ATOM 1397 HB3 ASN A1095 19.206 64.143 22.605 1.00 0.00 H ATOM 1398 HD21 ASN A1095 22.379 65.597 22.813 1.00 0.00 H ATOM 1399 HD22 ASN A1095 21.821 67.196 22.270 1.00 0.00 H ATOM 1400 N LEU A1096 19.126 61.909 24.589 1.00 16.68 N ATOM 1401 CA LEU A1096 19.192 60.508 24.191 1.00 14.11 C ATOM 1402 C LEU A1096 19.322 60.432 22.666 1.00 13.21 C ATOM 1403 O LEU A1096 18.426 60.864 21.939 1.00 13.47 O ATOM 1404 CB LEU A1096 17.975 59.752 24.738 1.00 15.72 C ATOM 1405 CG LEU A1096 17.993 59.656 26.278 1.00 15.55 C ATOM 1406 CD1 LEU A1096 17.254 60.813 26.958 1.00 17.35 C ATOM 1407 CD2 LEU A1096 17.341 58.347 26.719 1.00 16.12 C ATOM 1408 H LEU A1096 18.248 62.397 24.442 1.00 0.00 H ATOM 1409 HA LEU A1096 20.085 60.048 24.621 1.00 0.00 H ATOM 1410 HB2 LEU A1096 17.053 60.228 24.402 1.00 0.00 H ATOM 1411 HB3 LEU A1096 18.006 58.749 24.316 1.00 0.00 H ATOM 1412 HG LEU A1096 19.023 59.646 26.636 1.00 0.00 H ATOM 1413 HD11 LEU A1096 17.351 60.709 28.036 1.00 0.00 H ATOM 1414 HD12 LEU A1096 17.689 61.769 26.683 1.00 0.00 H ATOM 1415 HD13 LEU A1096 16.201 60.812 26.683 1.00 0.00 H ATOM 1416 HD21 LEU A1096 17.170 58.352 27.793 1.00 0.00 H ATOM 1417 HD22 LEU A1096 16.395 58.210 26.204 1.00 0.00 H ATOM 1418 HD23 LEU A1096 18.006 57.518 26.484 1.00 0.00 H ATOM 1419 N THR A1097 20.465 59.955 22.180 1.00 11.23 N ATOM 1420 CA THR A1097 20.671 59.572 20.779 1.00 12.02 C ATOM 1421 C THR A1097 20.045 58.204 20.541 1.00 12.39 C ATOM 1422 O THR A1097 20.398 57.243 21.223 1.00 14.36 O ATOM 1423 CB THR A1097 22.164 59.503 20.430 1.00 13.49 C ATOM 1424 OG1 THR A1097 22.772 60.748 20.666 1.00 14.84 O ATOM 1425 CG2 THR A1097 22.408 59.179 18.955 1.00 14.44 C ATOM 1426 H THR A1097 21.144 59.607 22.851 1.00 0.00 H ATOM 1427 HA THR A1097 20.196 60.301 20.126 1.00 0.00 H ATOM 1428 HB THR A1097 22.650 58.751 21.047 1.00 0.00 H ATOM 1429 HG1 THR A1097 22.962 60.828 21.626 1.00 0.00 H ATOM 1430 HG21 THR A1097 23.475 59.230 18.743 1.00 0.00 H ATOM 1431 HG22 THR A1097 21.878 59.889 18.321 1.00 0.00 H ATOM 1432 HG23 THR A1097 22.067 58.169 18.727 1.00 0.00 H ATOM 1433 N VAL A1098 19.170 58.085 19.544 1.00 10.59 N ATOM 1434 CA VAL A1098 18.443 56.849 19.231 1.00 10.86 C ATOM 1435 C VAL A1098 18.814 56.376 17.828 1.00 11.11 C ATOM 1436 O VAL A1098 18.532 57.076 16.856 1.00 10.85 O ATOM 1437 CB VAL A1098 16.924 57.063 19.371 1.00 10.05 C ATOM 1438 CG1 VAL A1098 16.146 55.779 19.052 1.00 10.16 C ATOM 1439 CG2 VAL A1098 16.526 57.517 20.783 1.00 11.61 C ATOM 1440 H VAL A1098 18.986 58.900 18.965 1.00 0.00 H ATOM 1441 HA VAL A1098 18.724 56.070 19.938 1.00 0.00 H ATOM 1442 HB VAL A1098 16.627 57.843 18.675 1.00 0.00 H ATOM 1443 HG11 VAL A1098 16.289 55.500 18.008 1.00 0.00 H ATOM 1444 HG12 VAL A1098 16.492 54.970 19.693 1.00 0.00 H ATOM 1445 HG13 VAL A1098 15.082 55.938 19.218 1.00 0.00 H ATOM 1446 HG21 VAL A1098 15.446 57.652 20.831 1.00 0.00 H ATOM 1447 HG22 VAL A1098 16.833 56.774 21.515 1.00 0.00 H ATOM 1448 HG23 VAL A1098 16.995 58.472 21.017 1.00 0.00 H ATOM 1449 N LYS A1099 19.356 55.156 17.726 1.00 9.87 N ATOM 1450 CA LYS A1099 19.549 54.415 16.474 1.00 10.57 C ATOM 1451 C LYS A1099 18.491 53.329 16.302 1.00 11.47 C ATOM 1452 O LYS A1099 18.239 52.548 17.220 1.00 10.63 O ATOM 1453 CB LYS A1099 20.983 53.872 16.386 1.00 12.98 C ATOM 1454 CG LYS A1099 21.206 52.967 15.158 1.00 14.54 C ATOM 1455 CD LYS A1099 22.676 52.920 14.718 1.00 20.09 C ATOM 1456 CE LYS A1099 22.975 54.113 13.804 1.00 22.73 C ATOM 1457 NZ LYS A1099 24.252 54.779 14.117 1.00 25.83 N ATOM 1458 H LYS A1099 19.511 54.653 18.593 1.00 0.00 H ATOM 1459 HA LYS A1099 19.429 55.120 15.655 1.00 0.00 H ATOM 1460 HB2 LYS A1099 21.674 54.712 16.356 1.00 0.00 H ATOM 1461 HB3 LYS A1099 21.209 53.299 17.282 1.00 0.00 H ATOM 1462 HG2 LYS A1099 20.602 53.308 14.315 1.00 0.00 H ATOM 1463 HG3 LYS A1099 20.884 51.955 15.409 1.00 0.00 H ATOM 1464 HD2 LYS A1099 23.319 52.929 15.597 1.00 0.00 H ATOM 1465 HD3 LYS A1099 22.859 52.004 14.158 1.00 0.00 H ATOM 1466 HE2 LYS A1099 22.169 54.849 13.914 1.00 0.00 H ATOM 1467 HE3 LYS A1099 22.951 53.797 12.753 1.00 0.00 H ATOM 1468 HZ1 LYS A1099 24.309 55.677 13.642 1.00 0.00 H ATOM 1469 HZ2 LYS A1099 25.064 54.227 13.963 1.00 0.00 H ATOM 1470 HZ3 LYS A1099 24.227 55.141 15.072 1.00 0.00 H ATOM 1471 N LEU A1100 17.895 53.296 15.116 1.00 10.21 N ATOM 1472 CA LEU A1100 16.769 52.445 14.727 1.00 10.72 C ATOM 1473 C LEU A1100 17.203 51.171 13.955 1.00 11.27 C ATOM 1474 O LEU A1100 18.369 51.072 13.567 1.00 11.52 O ATOM 1475 CB LEU A1100 15.825 53.343 13.905 1.00 8.98 C ATOM 1476 CG LEU A1100 15.171 54.500 14.681 1.00 10.84 C ATOM 1477 CD1 LEU A1100 14.259 55.279 13.737 1.00 10.37 C ATOM 1478 CD2 LEU A1100 14.313 54.001 15.846 1.00 10.37 C ATOM 1479 H LEU A1100 18.219 53.967 14.426 1.00 0.00 H ATOM 1480 HA LEU A1100 16.259 52.111 15.629 1.00 0.00 H ATOM 1481 HB2 LEU A1100 16.399 53.770 13.083 1.00 0.00 H ATOM 1482 HB3 LEU A1100 15.040 52.739 13.465 1.00 0.00 H ATOM 1483 HG LEU A1100 15.936 55.176 15.061 1.00 0.00 H ATOM 1484 HD11 LEU A1100 14.818 55.574 12.852 1.00 0.00 H ATOM 1485 HD12 LEU A1100 13.428 54.654 13.419 1.00 0.00 H ATOM 1486 HD13 LEU A1100 13.884 56.174 14.230 1.00 0.00 H ATOM 1487 HD21 LEU A1100 13.763 54.834 16.279 1.00 0.00 H ATOM 1488 HD22 LEU A1100 14.947 53.572 16.620 1.00 0.00 H ATOM 1489 HD23 LEU A1100 13.610 53.253 15.485 1.00 0.00 H ATOM 1490 N PRO A1101 16.290 50.205 13.689 1.00 13.74 N ATOM 1491 CA PRO A1101 16.616 48.929 13.030 1.00 13.32 C ATOM 1492 C PRO A1101 17.211 49.021 11.615 1.00 14.00 C ATOM 1493 O PRO A1101 17.835 48.068 11.156 1.00 14.85 O ATOM 1494 CB PRO A1101 15.296 48.150 12.971 1.00 13.70 C ATOM 1495 CG PRO A1101 14.498 48.689 14.149 1.00 16.49 C ATOM 1496 CD PRO A1101 14.927 50.149 14.211 1.00 13.27 C ATOM 1497 HA PRO A1101 17.321 48.392 13.665 1.00 0.00 H ATOM 1498 HB2 PRO A1101 15.459 47.076 13.053 1.00 0.00 H ATOM 1499 HB3 PRO A1101 14.763 48.384 12.048 1.00 0.00 H ATOM 1500 HG2 PRO A1101 13.425 48.594 13.986 1.00 0.00 H ATOM 1501 HG3 PRO A1101 14.793 48.176 15.060 1.00 0.00 H ATOM 1502 HD2 PRO A1101 14.867 50.507 15.238 1.00 0.00 H ATOM 1503 HD3 PRO A1101 14.269 50.728 13.570 1.00 0.00 H ATOM 1504 N ASP A1102 16.955 50.113 10.895 1.00 12.89 N ATOM 1505 CA ASP A1102 17.527 50.433 9.578 1.00 12.30 C ATOM 1506 C ASP A1102 18.917 51.100 9.665 1.00 12.90 C ATOM 1507 O ASP A1102 19.588 51.274 8.647 1.00 12.88 O ATOM 1508 CB ASP A1102 16.552 51.360 8.823 1.00 13.13 C ATOM 1509 CG ASP A1102 16.193 52.662 9.559 1.00 14.58 C ATOM 1510 OD1 ASP A1102 16.619 52.827 10.727 1.00 12.16 O ATOM 1511 OD2 ASP A1102 15.359 53.417 9.017 1.00 17.06 O ATOM 1512 H ASP A1102 16.482 50.889 11.347 1.00 0.00 H ATOM 1513 HA ASP A1102 17.644 49.514 9.004 1.00 0.00 H ATOM 1514 HB2 ASP A1102 16.984 51.614 7.854 1.00 0.00 H ATOM 1515 HB3 ASP A1102 15.633 50.804 8.631 1.00 0.00 H ATOM 1516 N GLY A1103 19.350 51.494 10.866 1.00 12.89 N ATOM 1517 CA GLY A1103 20.548 52.296 11.102 1.00 12.35 C ATOM 1518 C GLY A1103 20.334 53.815 11.049 1.00 10.95 C ATOM 1519 O GLY A1103 21.311 54.542 11.239 1.00 9.83 O ATOM 1520 H GLY A1103 18.737 51.329 11.658 1.00 0.00 H ATOM 1521 HA2 GLY A1103 21.306 52.037 10.362 1.00 0.00 H ATOM 1522 HA3 GLY A1103 20.931 52.048 12.090 1.00 0.00 H ATOM 1523 N TYR A1104 19.100 54.307 10.882 1.00 11.01 N ATOM 1524 CA TYR A1104 18.762 55.730 11.021 1.00 10.86 C ATOM 1525 C TYR A1104 19.051 56.226 12.445 1.00 11.08 C ATOM 1526 O TYR A1104 18.892 55.477 13.411 1.00 12.35 O ATOM 1527 CB TYR A1104 17.287 55.942 10.645 1.00 11.18 C ATOM 1528 CG TYR A1104 16.773 57.371 10.701 1.00 12.06 C ATOM 1529 CD1 TYR A1104 16.726 58.146 9.526 1.00 13.93 C ATOM 1530 CD2 TYR A1104 16.267 57.897 11.907 1.00 11.86 C ATOM 1531 CE1 TYR A1104 16.158 59.435 9.550 1.00 13.66 C ATOM 1532 CE2 TYR A1104 15.685 59.179 11.932 1.00 13.14 C ATOM 1533 CZ TYR A1104 15.624 59.948 10.753 1.00 13.77 C ATOM 1534 OH TYR A1104 15.035 61.173 10.769 1.00 13.88 O ATOM 1535 H TYR A1104 18.320 53.656 10.807 1.00 0.00 H ATOM 1536 HA TYR A1104 19.380 56.302 10.330 1.00 0.00 H ATOM 1537 HB2 TYR A1104 16.670 55.343 11.312 1.00 0.00 H ATOM 1538 HB3 TYR A1104 17.129 55.556 9.637 1.00 0.00 H ATOM 1539 HD1 TYR A1104 17.092 57.731 8.597 1.00 0.00 H ATOM 1540 HD2 TYR A1104 16.307 57.307 12.811 1.00 0.00 H ATOM 1541 HE1 TYR A1104 16.097 60.013 8.641 1.00 0.00 H ATOM 1542 HE2 TYR A1104 15.270 59.576 12.845 1.00 0.00 H ATOM 1543 HH TYR A1104 15.255 61.669 9.981 1.00 0.00 H ATOM 1544 N GLU A1105 19.384 57.510 12.592 1.00 11.29 N ATOM 1545 CA GLU A1105 19.697 58.144 13.876 1.00 13.18 C ATOM 1546 C GLU A1105 18.959 59.470 14.067 1.00 12.56 C ATOM 1547 O GLU A1105 18.950 60.322 13.179 1.00 13.78 O ATOM 1548 CB GLU A1105 21.220 58.343 14.027 1.00 17.17 C ATOM 1549 CG GLU A1105 21.757 57.453 15.153 1.00 22.79 C ATOM 1550 CD GLU A1105 23.286 57.336 15.213 1.00 26.36 C ATOM 1551 OE1 GLU A1105 23.907 57.426 14.128 1.00 29.55 O ATOM 1552 OE2 GLU A1105 23.721 56.533 16.069 1.00 29.19 O ATOM 1553 H GLU A1105 19.395 58.107 11.780 1.00 0.00 H ATOM 1554 HA GLU A1105 19.356 57.484 14.669 1.00 0.00 H ATOM 1555 HB2 GLU A1105 21.713 58.099 13.085 1.00 0.00 H ATOM 1556 HB3 GLU A1105 21.447 59.381 14.273 1.00 0.00 H ATOM 1557 HG2 GLU A1105 21.381 57.817 16.110 1.00 0.00 H ATOM 1558 HG3 GLU A1105 21.353 56.455 14.994 1.00 0.00 H ATOM 1559 N PHE A1106 18.521 59.716 15.302 1.00 11.09 N ATOM 1560 CA PHE A1106 18.014 61.009 15.762 1.00 10.00 C ATOM 1561 C PHE A1106 18.393 61.251 17.232 1.00 11.74 C ATOM 1562 O PHE A1106 19.032 60.417 17.877 1.00 12.59 O ATOM 1563 CB PHE A1106 16.497 61.094 15.514 1.00 10.29 C ATOM 1564 CG PHE A1106 15.642 60.209 16.402 1.00 10.33 C ATOM 1565 CD1 PHE A1106 15.447 58.853 16.078 1.00 8.54 C ATOM 1566 CD2 PHE A1106 15.022 60.749 17.545 1.00 9.37 C ATOM 1567 CE1 PHE A1106 14.637 58.044 16.895 1.00 11.31 C ATOM 1568 CE2 PHE A1106 14.234 59.935 18.374 1.00 10.21 C ATOM 1569 CZ PHE A1106 14.041 58.583 18.049 1.00 10.34 C ATOM 1570 H PHE A1106 18.606 58.978 15.995 1.00 0.00 H ATOM 1571 HA PHE A1106 18.489 61.794 15.173 1.00 0.00 H ATOM 1572 HB2 PHE A1106 16.181 62.129 15.651 1.00 0.00 H ATOM 1573 HB3 PHE A1106 16.297 60.850 14.471 1.00 0.00 H ATOM 1574 HD1 PHE A1106 15.917 58.432 15.201 1.00 0.00 H ATOM 1575 HD2 PHE A1106 15.121 61.799 17.774 1.00 0.00 H ATOM 1576 HE1 PHE A1106 14.488 57.007 16.641 1.00 0.00 H ATOM 1577 HE2 PHE A1106 13.745 60.364 19.237 1.00 0.00 H ATOM 1578 HZ PHE A1106 13.416 57.968 18.678 1.00 0.00 H ATOM 1579 N LYS A1107 18.043 62.428 17.758 1.00 11.77 N ATOM 1580 CA LYS A1107 18.232 62.808 19.165 1.00 11.41 C ATOM 1581 C LYS A1107 16.910 63.273 19.770 1.00 12.01 C ATOM 1582 O LYS A1107 16.138 63.957 19.101 1.00 10.93 O ATOM 1583 CB LYS A1107 19.309 63.902 19.283 1.00 15.13 C ATOM 1584 CG LYS A1107 20.741 63.350 19.189 1.00 16.20 C ATOM 1585 CD LYS A1107 21.756 64.505 19.223 1.00 20.76 C ATOM 1586 CE LYS A1107 23.219 64.046 19.177 1.00 21.71 C ATOM 1587 NZ LYS A1107 23.636 63.361 20.421 1.00 24.27 N ATOM 1588 H LYS A1107 17.467 63.038 17.195 1.00 0.00 H ATOM 1589 HA LYS A1107 18.551 61.938 19.739 1.00 0.00 H ATOM 1590 HB2 LYS A1107 19.202 64.401 20.246 1.00 0.00 H ATOM 1591 HB3 LYS A1107 19.147 64.649 18.504 1.00 0.00 H ATOM 1592 HG2 LYS A1107 20.916 62.683 20.032 1.00 0.00 H ATOM 1593 HG3 LYS A1107 20.864 62.792 18.260 1.00 0.00 H ATOM 1594 HD2 LYS A1107 21.576 65.147 18.360 1.00 0.00 H ATOM 1595 HD3 LYS A1107 21.597 65.101 20.120 1.00 0.00 H ATOM 1596 HE2 LYS A1107 23.350 63.372 18.326 1.00 0.00 H ATOM 1597 HE3 LYS A1107 23.852 64.922 19.022 1.00 0.00 H ATOM 1598 HZ1 LYS A1107 23.115 62.502 20.577 1.00 0.00 H ATOM 1599 HZ2 LYS A1107 23.486 63.890 21.284 1.00 0.00 H ATOM 1600 HZ3 LYS A1107 24.600 63.070 20.427 1.00 0.00 H ATOM 1601 N PHE A1108 16.747 63.052 21.071 1.00 11.98 N ATOM 1602 CA PHE A1108 15.662 63.602 21.883 1.00 12.14 C ATOM 1603 C PHE A1108 16.232 64.255 23.159 1.00 12.43 C ATOM 1604 O PHE A1108 16.992 63.596 23.871 1.00 13.72 O ATOM 1605 CB PHE A1108 14.667 62.485 22.213 1.00 12.49 C ATOM 1606 CG PHE A1108 13.488 63.005 23.002 1.00 11.51 C ATOM 1607 CD1 PHE A1108 12.370 63.515 22.320 1.00 12.78 C ATOM 1608 CD2 PHE A1108 13.550 63.076 24.406 1.00 12.28 C ATOM 1609 CE1 PHE A1108 11.322 64.115 23.036 1.00 12.73 C ATOM 1610 CE2 PHE A1108 12.508 63.685 25.122 1.00 12.83 C ATOM 1611 CZ PHE A1108 11.405 64.213 24.434 1.00 12.96 C ATOM 1612 H PHE A1108 17.409 62.436 21.532 1.00 0.00 H ATOM 1613 HA PHE A1108 15.130 64.353 21.299 1.00 0.00 H ATOM 1614 HB2 PHE A1108 15.171 61.705 22.786 1.00 0.00 H ATOM 1615 HB3 PHE A1108 14.306 62.040 21.285 1.00 0.00 H ATOM 1616 HD1 PHE A1108 12.330 63.466 21.241 1.00 0.00 H ATOM 1617 HD2 PHE A1108 14.411 62.696 24.941 1.00 0.00 H ATOM 1618 HE1 PHE A1108 10.463 64.505 22.509 1.00 0.00 H ATOM 1619 HE2 PHE A1108 12.571 63.750 26.199 1.00 0.00 H ATOM 1620 HZ PHE A1108 10.614 64.687 24.984 1.00 0.00 H ATOM 1621 N PRO A1109 15.940 65.535 23.461 1.00 13.71 N ATOM 1622 CA PRO A1109 16.638 66.284 24.510 1.00 15.24 C ATOM 1623 C PRO A1109 16.385 65.743 25.928 1.00 14.61 C ATOM 1624 O PRO A1109 15.238 65.536 26.328 1.00 14.91 O ATOM 1625 CB PRO A1109 16.175 67.737 24.356 1.00 16.52 C ATOM 1626 CG PRO A1109 14.812 67.607 23.674 1.00 17.43 C ATOM 1627 CD PRO A1109 14.999 66.397 22.764 1.00 15.79 C ATOM 1628 HA PRO A1109 17.710 66.246 24.313 1.00 0.00 H ATOM 1629 HB2 PRO A1109 16.863 68.265 23.694 1.00 0.00 H ATOM 1630 HB3 PRO A1109 16.102 68.254 25.314 1.00 0.00 H ATOM 1631 HG2 PRO A1109 14.048 67.384 24.418 1.00 0.00 H ATOM 1632 HG3 PRO A1109 14.553 68.503 23.108 1.00 0.00 H ATOM 1633 HD2 PRO A1109 15.428 66.711 21.811 1.00 0.00 H ATOM 1634 HD3 PRO A1109 14.043 65.898 22.601 1.00 0.00 H ATOM 1635 N ASN A1110 17.429 65.756 26.764 1.00 15.32 N ATOM 1636 CA ASN A1110 17.389 65.452 28.202 1.00 15.95 C ATOM 1637 C ASN A1110 16.779 66.613 29.017 1.00 16.83 C ATOM 1638 O ASN A1110 17.442 67.230 29.847 1.00 17.79 O ATOM 1639 CB ASN A1110 18.812 65.081 28.671 1.00 16.76 C ATOM 1640 CG ASN A1110 18.894 64.650 30.134 1.00 18.31 C ATOM 1641 OD1 ASN A1110 17.922 64.228 30.750 1.00 19.26 O ATOM 1642 ND2 ASN A1110 20.060 64.750 30.728 1.00 20.17 N ATOM 1643 H ASN A1110 18.315 66.080 26.389 1.00 0.00 H ATOM 1644 HA ASN A1110 16.748 64.581 28.352 1.00 0.00 H ATOM 1645 HB2 ASN A1110 19.453 65.952 28.537 1.00 0.00 H ATOM 1646 HB3 ASN A1110 19.209 64.271 28.060 1.00 0.00 H ATOM 1647 HD21 ASN A1110 20.819 65.238 30.257 1.00 0.00 H ATOM 1648 HD22 ASN A1110 20.191 64.432 31.675 1.00 0.00 H ATOM 1649 N ARG A1111 15.503 66.934 28.767 1.00 16.39 N ATOM 1650 CA ARG A1111 14.773 68.066 29.383 1.00 17.96 C ATOM 1651 C ARG A1111 14.802 68.049 30.919 1.00 18.70 C ATOM 1652 O ARG A1111 14.830 69.106 31.541 1.00 19.66 O ATOM 1653 CB ARG A1111 13.309 68.032 28.914 1.00 16.99 C ATOM 1654 CG ARG A1111 13.112 68.248 27.402 1.00 17.05 C ATOM 1655 CD ARG A1111 11.702 67.772 27.044 1.00 16.89 C ATOM 1656 NE ARG A1111 11.396 67.814 25.605 1.00 16.13 N ATOM 1657 CZ ARG A1111 10.274 67.364 25.066 1.00 16.05 C ATOM 1658 NH1 ARG A1111 9.303 66.858 25.780 1.00 14.90 N ATOM 1659 NH2 ARG A1111 10.118 67.372 23.775 1.00 15.14 N ATOM 1660 H ARG A1111 15.052 66.408 28.024 1.00 0.00 H ATOM 1661 HA ARG A1111 15.236 69.009 29.084 1.00 0.00 H ATOM 1662 HB2 ARG A1111 12.748 68.804 29.445 1.00 0.00 H ATOM 1663 HB3 ARG A1111 12.890 67.065 29.202 1.00 0.00 H ATOM 1664 HG2 ARG A1111 13.834 67.662 26.836 1.00 0.00 H ATOM 1665 HG3 ARG A1111 13.233 69.303 27.156 1.00 0.00 H ATOM 1666 HD2 ARG A1111 10.969 68.359 27.602 1.00 0.00 H ATOM 1667 HD3 ARG A1111 11.636 66.736 27.356 1.00 0.00 H ATOM 1668 HE ARG A1111 12.116 68.134 24.983 1.00 0.00 H ATOM 1669 HH11 ARG A1111 9.448 66.698 26.773 1.00 0.00 H ATOM 1670 HH12 ARG A1111 8.498 66.443 25.318 1.00 0.00 H ATOM 1671 HH21 ARG A1111 10.869 67.611 23.156 1.00 0.00 H ATOM 1672 HH22 ARG A1111 9.240 67.019 23.403 1.00 0.00 H ATOM 1673 N LEU A1112 14.874 66.851 31.502 1.00 19.42 N ATOM 1674 CA LEU A1112 14.944 66.611 32.945 1.00 20.28 C ATOM 1675 C LEU A1112 16.310 66.964 33.562 1.00 20.34 C ATOM 1676 O LEU A1112 16.389 67.106 34.780 1.00 19.46 O ATOM 1677 CB LEU A1112 14.636 65.127 33.222 1.00 20.58 C ATOM 1678 CG LEU A1112 13.143 64.762 33.284 1.00 21.55 C ATOM 1679 CD1 LEU A1112 12.448 64.870 31.928 1.00 23.33 C ATOM 1680 CD2 LEU A1112 13.003 63.321 33.775 1.00 21.43 C ATOM 1681 H LEU A1112 14.855 66.049 30.897 1.00 0.00 H ATOM 1682 HA LEU A1112 14.189 67.228 33.440 1.00 0.00 H ATOM 1683 HB2 LEU A1112 15.135 64.503 32.478 1.00 0.00 H ATOM 1684 HB3 LEU A1112 15.062 64.887 34.195 1.00 0.00 H ATOM 1685 HG LEU A1112 12.651 65.408 34.007 1.00 0.00 H ATOM 1686 HD11 LEU A1112 11.426 64.502 32.021 1.00 0.00 H ATOM 1687 HD12 LEU A1112 12.977 64.302 31.169 1.00 0.00 H ATOM 1688 HD13 LEU A1112 12.372 65.919 31.643 1.00 0.00 H ATOM 1689 HD21 LEU A1112 11.944 63.074 33.819 1.00 0.00 H ATOM 1690 HD22 LEU A1112 13.424 63.232 34.775 1.00 0.00 H ATOM 1691 HD23 LEU A1112 13.511 62.640 33.096 1.00 0.00 H ATOM 1692 N ASN A1113 17.374 67.103 32.760 1.00 19.79 N ATOM 1693 CA ASN A1113 18.760 67.280 33.224 1.00 21.46 C ATOM 1694 C ASN A1113 19.245 66.094 34.092 1.00 22.04 C ATOM 1695 O ASN A1113 19.845 66.277 35.151 1.00 20.88 O ATOM 1696 CB ASN A1113 18.973 68.671 33.871 1.00 23.59 C ATOM 1697 CG ASN A1113 18.190 69.793 33.213 1.00 26.31 C ATOM 1698 OD1 ASN A1113 18.642 70.452 32.293 1.00 26.91 O ATOM 1699 ND2 ASN A1113 16.971 70.017 33.646 1.00 27.52 N ATOM 1700 H ASN A1113 17.233 67.058 31.756 1.00 0.00 H ATOM 1701 HA ASN A1113 19.389 67.256 32.332 1.00 0.00 H ATOM 1702 HB2 ASN A1113 20.032 68.921 33.814 1.00 0.00 H ATOM 1703 HB3 ASN A1113 18.700 68.627 34.925 1.00 0.00 H ATOM 1704 HD21 ASN A1113 16.584 69.357 34.301 1.00 0.00 H ATOM 1705 HD22 ASN A1113 16.380 70.535 33.019 1.00 0.00 H ATOM 1706 N LEU A1114 18.864 64.863 33.720 1.00 21.23 N ATOM 1707 CA LEU A1114 19.263 63.647 34.438 1.00 21.68 C ATOM 1708 C LEU A1114 20.792 63.496 34.424 1.00 21.89 C ATOM 1709 O LEU A1114 21.375 63.435 33.348 1.00 20.62 O ATOM 1710 CB LEU A1114 18.591 62.410 33.787 1.00 22.34 C ATOM 1711 CG LEU A1114 17.623 61.667 34.717 1.00 24.31 C ATOM 1712 CD1 LEU A1114 16.397 62.516 35.054 1.00 23.87 C ATOM 1713 CD2 LEU A1114 17.115 60.390 34.049 1.00 24.65 C ATOM 1714 H LEU A1114 18.366 64.766 32.843 1.00 0.00 H ATOM 1715 HA LEU A1114 18.947 63.741 35.477 1.00 0.00 H ATOM 1716 HB2 LEU A1114 18.053 62.701 32.884 1.00 0.00 H ATOM 1717 HB3 LEU A1114 19.364 61.705 33.477 1.00 0.00 H ATOM 1718 HG LEU A1114 18.143 61.403 35.638 1.00 0.00 H ATOM 1719 HD11 LEU A1114 15.727 61.965 35.705 1.00 0.00 H ATOM 1720 HD12 LEU A1114 16.698 63.440 35.548 1.00 0.00 H ATOM 1721 HD13 LEU A1114 15.876 62.758 34.130 1.00 0.00 H ATOM 1722 HD21 LEU A1114 16.595 59.787 34.788 1.00 0.00 H ATOM 1723 HD22 LEU A1114 16.451 60.628 33.222 1.00 0.00 H ATOM 1724 HD23 LEU A1114 17.956 59.814 33.664 1.00 0.00 H ATOM 1725 N GLU A1115 21.393 63.157 35.567 1.00 22.27 N ATOM 1726 CA GLU A1115 22.780 62.657 35.645 1.00 23.52 C ATOM 1727 C GLU A1115 22.935 61.232 35.086 1.00 21.76 C ATOM 1728 O GLU A1115 24.025 60.834 34.679 1.00 22.24 O ATOM 1729 CB GLU A1115 23.231 62.611 37.113 1.00 26.54 C ATOM 1730 CG GLU A1115 23.482 63.985 37.743 1.00 30.68 C ATOM 1731 CD GLU A1115 24.109 63.841 39.140 1.00 32.90 C ATOM 1732 OE1 GLU A1115 25.030 64.629 39.446 1.00 35.91 O ATOM 1733 OE2 GLU A1115 23.722 62.889 39.859 1.00 34.82 O ATOM 1734 H GLU A1115 20.898 63.302 36.433 1.00 0.00 H ATOM 1735 HA GLU A1115 23.447 63.315 35.087 1.00 0.00 H ATOM 1736 HB2 GLU A1115 22.471 62.083 37.693 1.00 0.00 H ATOM 1737 HB3 GLU A1115 24.158 62.038 37.173 1.00 0.00 H ATOM 1738 HG2 GLU A1115 22.535 64.526 37.817 1.00 0.00 H ATOM 1739 HG3 GLU A1115 24.151 64.551 37.090 1.00 0.00 H ATOM 1740 N ALA A1116 21.883 60.419 35.223 1.00 20.59 N ATOM 1741 CA ALA A1116 21.926 58.968 35.085 1.00 19.31 C ATOM 1742 C ALA A1116 20.540 58.401 34.755 1.00 18.29 C ATOM 1743 O ALA A1116 19.553 58.793 35.383 1.00 17.96 O ATOM 1744 CB ALA A1116 22.438 58.381 36.403 1.00 20.40 C ATOM 1745 H ALA A1116 21.033 60.812 35.595 1.00 0.00 H ATOM 1746 HA ALA A1116 22.619 58.701 34.291 1.00 0.00 H ATOM 1747 HB1 ALA A1116 22.450 57.296 36.331 1.00 0.00 H ATOM 1748 HB2 ALA A1116 21.776 58.670 37.221 1.00 0.00 H ATOM 1749 HB3 ALA A1116 23.441 58.758 36.598 1.00 0.00 H ATOM 1750 N ILE A1117 20.471 57.402 33.871 1.00 18.09 N ATOM 1751 CA ILE A1117 19.248 56.620 33.648 1.00 18.26 C ATOM 1752 C ILE A1117 19.233 55.447 34.634 1.00 18.03 C ATOM 1753 O ILE A1117 20.051 54.534 34.568 1.00 19.48 O ATOM 1754 CB ILE A1117 19.096 56.195 32.170 1.00 17.15 C ATOM 1755 CG1 ILE A1117 18.979 57.454 31.280 1.00 18.48 C ATOM 1756 CG2 ILE A1117 17.881 55.262 31.985 1.00 18.25 C ATOM 1757 CD1 ILE A1117 18.970 57.171 29.774 1.00 18.88 C ATOM 1758 H ILE A1117 21.342 57.068 33.462 1.00 0.00 H ATOM 1759 HA ILE A1117 18.388 57.248 33.878 1.00 0.00 H ATOM 1760 HB ILE A1117 19.984 55.649 31.868 1.00 0.00 H ATOM 1761 HG12 ILE A1117 18.073 57.999 31.545 1.00 0.00 H ATOM 1762 HG13 ILE A1117 19.829 58.110 31.469 1.00 0.00 H ATOM 1763 HD11 ILE A1117 19.048 58.116 29.237 1.00 0.00 H ATOM 1764 HD12 ILE A1117 18.046 56.674 29.482 1.00 0.00 H ATOM 1765 HD13 ILE A1117 19.823 56.548 29.507 1.00 0.00 H ATOM 1766 HG21 ILE A1117 17.796 54.955 30.943 1.00 0.00 H ATOM 1767 HG22 ILE A1117 18.004 54.354 32.575 1.00 0.00 H ATOM 1768 HG23 ILE A1117 16.967 55.770 32.288 1.00 0.00 H ATOM 1769 N ASN A1118 18.247 55.444 35.530 1.00 17.96 N ATOM 1770 CA ASN A1118 18.112 54.480 36.622 1.00 19.00 C ATOM 1771 C ASN A1118 16.828 53.630 36.547 1.00 17.81 C ATOM 1772 O ASN A1118 16.660 52.730 37.370 1.00 17.95 O ATOM 1773 CB ASN A1118 18.300 55.217 37.962 1.00 21.97 C ATOM 1774 CG ASN A1118 19.740 55.129 38.432 1.00 25.67 C ATOM 1775 OD1 ASN A1118 20.645 55.752 37.914 1.00 28.04 O ATOM 1776 ND2 ASN A1118 20.044 54.196 39.301 1.00 27.37 N ATOM 1777 H ASN A1118 17.573 56.199 35.481 1.00 0.00 H ATOM 1778 HA ASN A1118 18.925 53.759 36.535 1.00 0.00 H ATOM 1779 HB2 ASN A1118 18.044 56.271 37.857 1.00 0.00 H ATOM 1780 HB3 ASN A1118 17.643 54.795 38.722 1.00 0.00 H ATOM 1781 HD21 ASN A1118 19.316 53.719 39.789 1.00 0.00 H ATOM 1782 HD22 ASN A1118 21.009 54.153 39.578 1.00 0.00 H ATOM 1783 N TYR A1119 16.023 53.780 35.494 1.00 16.56 N ATOM 1784 CA TYR A1119 14.771 53.056 35.270 1.00 15.09 C ATOM 1785 C TYR A1119 14.523 52.809 33.776 1.00 15.02 C ATOM 1786 O TYR A1119 14.698 53.713 32.956 1.00 12.99 O ATOM 1787 CB TYR A1119 13.624 53.861 35.895 1.00 14.77 C ATOM 1788 CG TYR A1119 12.227 53.361 35.580 1.00 14.28 C ATOM 1789 CD1 TYR A1119 11.645 52.349 36.366 1.00 14.62 C ATOM 1790 CD2 TYR A1119 11.495 53.939 34.524 1.00 14.18 C ATOM 1791 CE1 TYR A1119 10.318 51.942 36.126 1.00 15.08 C ATOM 1792 CE2 TYR A1119 10.174 53.527 34.273 1.00 14.30 C ATOM 1793 CZ TYR A1119 9.575 52.546 35.089 1.00 14.71 C ATOM 1794 OH TYR A1119 8.274 52.206 34.891 1.00 14.94 O ATOM 1795 H TYR A1119 16.205 54.567 34.880 1.00 0.00 H ATOM 1796 HA TYR A1119 14.816 52.085 35.763 1.00 0.00 H ATOM 1797 HB2 TYR A1119 13.757 53.871 36.977 1.00 0.00 H ATOM 1798 HB3 TYR A1119 13.695 54.892 35.551 1.00 0.00 H ATOM 1799 HD1 TYR A1119 12.213 51.897 37.168 1.00 0.00 H ATOM 1800 HD2 TYR A1119 11.935 54.726 33.925 1.00 0.00 H ATOM 1801 HE1 TYR A1119 9.868 51.182 36.746 1.00 0.00 H ATOM 1802 HE2 TYR A1119 9.600 53.984 33.482 1.00 0.00 H ATOM 1803 HH TYR A1119 8.020 51.458 35.433 1.00 0.00 H ATOM 1804 N MET A1120 13.958 51.639 33.466 1.00 14.72 N ATOM 1805 CA MET A1120 13.419 51.265 32.157 1.00 15.81 C ATOM 1806 C MET A1120 12.067 50.561 32.329 1.00 16.28 C ATOM 1807 O MET A1120 11.954 49.638 33.135 1.00 17.33 O ATOM 1808 CB MET A1120 14.430 50.372 31.411 1.00 18.20 C ATOM 1809 CG MET A1120 13.926 49.842 30.056 1.00 23.40 C ATOM 1810 SD MET A1120 14.949 48.542 29.314 1.00 29.76 S ATOM 1811 CE MET A1120 14.352 47.111 30.251 1.00 30.23 C ATOM 1812 H MET A1120 13.798 50.975 34.219 1.00 0.00 H ATOM 1813 HA MET A1120 13.268 52.171 31.577 1.00 0.00 H ATOM 1814 HB2 MET A1120 15.343 50.942 31.236 1.00 0.00 H ATOM 1815 HB3 MET A1120 14.678 49.524 32.050 1.00 0.00 H ATOM 1816 HG2 MET A1120 12.926 49.428 30.165 1.00 0.00 H ATOM 1817 HG3 MET A1120 13.867 50.677 29.359 1.00 0.00 H ATOM 1818 HE1 MET A1120 14.936 46.232 29.980 1.00 0.00 H ATOM 1819 HE2 MET A1120 13.301 46.935 30.021 1.00 0.00 H ATOM 1820 HE3 MET A1120 14.459 47.295 31.318 1.00 0.00 H ATOM 1821 N ALA A1121 11.123 50.807 31.419 1.00 15.61 N ATOM 1822 CA ALA A1121 9.940 49.962 31.250 1.00 14.36 C ATOM 1823 C ALA A1121 9.486 49.891 29.790 1.00 15.09 C ATOM 1824 O ALA A1121 9.032 50.888 29.226 1.00 14.81 O ATOM 1825 CB ALA A1121 8.822 50.461 32.169 1.00 15.97 C ATOM 1826 H ALA A1121 11.289 51.554 30.751 1.00 0.00 H ATOM 1827 HA ALA A1121 10.187 48.945 31.556 1.00 0.00 H ATOM 1828 HB1 ALA A1121 7.916 49.878 31.999 1.00 0.00 H ATOM 1829 HB2 ALA A1121 9.133 50.340 33.205 1.00 0.00 H ATOM 1830 HB3 ALA A1121 8.611 51.513 31.977 1.00 0.00 H ATOM 1831 N ALA A1122 9.493 48.689 29.218 1.00 12.84 N ATOM 1832 CA ALA A1122 8.797 48.393 27.972 1.00 13.95 C ATOM 1833 C ALA A1122 7.319 48.058 28.224 1.00 14.02 C ATOM 1834 O ALA A1122 7.013 47.333 29.171 1.00 14.05 O ATOM 1835 CB ALA A1122 9.518 47.240 27.273 1.00 14.66 C ATOM 1836 H ALA A1122 9.828 47.902 29.764 1.00 0.00 H ATOM 1837 HA ALA A1122 8.850 49.267 27.330 1.00 0.00 H ATOM 1838 HB1 ALA A1122 9.057 47.052 26.303 1.00 0.00 H ATOM 1839 HB2 ALA A1122 10.563 47.513 27.130 1.00 0.00 H ATOM 1840 HB3 ALA A1122 9.460 46.341 27.884 1.00 0.00 H ATOM 1841 N ASP A1123 6.436 48.399 27.283 1.00 15.60 N ATOM 1842 CA ASP A1123 5.069 47.858 27.221 1.00 17.94 C ATOM 1843 C ASP A1123 4.445 47.992 25.819 1.00 18.84 C ATOM 1844 O ASP A1123 5.027 48.580 24.905 1.00 18.91 O ATOM 1845 CB ASP A1123 4.170 48.510 28.299 1.00 21.28 C ATOM 1846 CG ASP A1123 3.170 47.521 28.916 1.00 25.74 C ATOM 1847 OD1 ASP A1123 2.827 46.499 28.266 1.00 27.86 O ATOM 1848 OD2 ASP A1123 2.935 47.616 30.140 1.00 28.79 O ATOM 1849 H ASP A1123 6.761 48.938 26.484 1.00 0.00 H ATOM 1850 HA ASP A1123 5.134 46.790 27.432 1.00 0.00 H ATOM 1851 HB2 ASP A1123 4.786 48.929 29.097 1.00 0.00 H ATOM 1852 HB3 ASP A1123 3.613 49.335 27.853 1.00 0.00 H ATOM 1853 N GLY A1124 3.252 47.423 25.649 1.00 20.04 N ATOM 1854 CA GLY A1124 2.568 47.314 24.365 1.00 20.04 C ATOM 1855 C GLY A1124 3.168 46.230 23.468 1.00 20.22 C ATOM 1856 O GLY A1124 3.620 45.182 23.937 1.00 19.57 O ATOM 1857 H GLY A1124 2.850 46.949 26.452 1.00 0.00 H ATOM 1858 HA2 GLY A1124 1.516 47.077 24.523 1.00 0.00 H ATOM 1859 HA3 GLY A1124 2.619 48.272 23.846 1.00 0.00 H ATOM 1860 N ASP A1125 3.101 46.468 22.164 1.00 20.57 N ATOM 1861 CA ASP A1125 3.158 45.442 21.116 1.00 21.95 C ATOM 1862 C ASP A1125 4.578 44.979 20.724 1.00 21.73 C ATOM 1863 O ASP A1125 4.858 44.723 19.552 1.00 20.88 O ATOM 1864 CB ASP A1125 2.326 45.942 19.925 1.00 23.78 C ATOM 1865 CG ASP A1125 0.877 46.274 20.302 1.00 26.99 C ATOM 1866 OD1 ASP A1125 0.337 45.639 21.237 1.00 26.92 O ATOM 1867 OD2 ASP A1125 0.283 47.096 19.576 1.00 28.68 O ATOM 1868 H ASP A1125 2.664 47.344 21.891 1.00 0.00 H ATOM 1869 HA ASP A1125 2.652 44.556 21.502 1.00 0.00 H ATOM 1870 HB2 ASP A1125 2.803 46.833 19.510 1.00 0.00 H ATOM 1871 HB3 ASP A1125 2.311 45.180 19.152 1.00 0.00 H ATOM 1872 N PHE A1126 5.491 44.870 21.696 1.00 21.27 N ATOM 1873 CA PHE A1126 6.906 44.531 21.481 1.00 22.05 C ATOM 1874 C PHE A1126 7.447 43.608 22.578 1.00 22.29 C ATOM 1875 O PHE A1126 7.796 44.017 23.688 1.00 24.13 O ATOM 1876 CB PHE A1126 7.701 45.829 21.348 1.00 20.65 C ATOM 1877 CG PHE A1126 9.197 45.714 21.133 1.00 20.18 C ATOM 1878 CD1 PHE A1126 9.701 45.217 19.916 1.00 19.87 C ATOM 1879 CD2 PHE A1126 10.083 46.237 22.093 1.00 20.36 C ATOM 1880 CE1 PHE A1126 11.081 45.274 19.650 1.00 19.80 C ATOM 1881 CE2 PHE A1126 11.461 46.290 21.826 1.00 20.44 C ATOM 1882 CZ PHE A1126 11.962 45.821 20.600 1.00 19.17 C ATOM 1883 H PHE A1126 5.183 45.080 22.640 1.00 0.00 H ATOM 1884 HA PHE A1126 7.001 44.000 20.533 1.00 0.00 H ATOM 1885 HB2 PHE A1126 7.298 46.354 20.486 1.00 0.00 H ATOM 1886 HB3 PHE A1126 7.521 46.438 22.235 1.00 0.00 H ATOM 1887 HD1 PHE A1126 9.025 44.837 19.165 1.00 0.00 H ATOM 1888 HD2 PHE A1126 9.698 46.648 23.016 1.00 0.00 H ATOM 1889 HE1 PHE A1126 11.463 44.920 18.703 1.00 0.00 H ATOM 1890 HE2 PHE A1126 12.128 46.737 22.546 1.00 0.00 H ATOM 1891 HZ PHE A1126 13.018 45.898 20.379 1.00 0.00 H ATOM 1892 N LYS A1127 7.521 42.316 22.256 1.00 22.30 N ATOM 1893 CA LYS A1127 8.087 41.276 23.113 1.00 23.51 C ATOM 1894 C LYS A1127 9.614 41.345 23.070 1.00 21.34 C ATOM 1895 O LYS A1127 10.240 40.701 22.235 1.00 21.47 O ATOM 1896 CB LYS A1127 7.527 39.920 22.643 1.00 24.55 C ATOM 1897 CG LYS A1127 8.086 38.693 23.379 1.00 28.10 C ATOM 1898 CD LYS A1127 7.899 38.749 24.904 1.00 32.00 C ATOM 1899 CE LYS A1127 8.497 37.514 25.585 1.00 33.78 C ATOM 1900 NZ LYS A1127 7.821 36.265 25.151 1.00 36.36 N ATOM 1901 H LYS A1127 7.301 42.068 21.292 1.00 0.00 H ATOM 1902 HA LYS A1127 7.764 41.464 24.136 1.00 0.00 H ATOM 1903 HB2 LYS A1127 7.739 39.796 21.579 1.00 0.00 H ATOM 1904 HB3 LYS A1127 6.442 39.932 22.760 1.00 0.00 H ATOM 1905 HG2 LYS A1127 7.579 37.813 22.982 1.00 0.00 H ATOM 1906 HG3 LYS A1127 9.148 38.585 23.161 1.00 0.00 H ATOM 1907 HD2 LYS A1127 8.414 39.625 25.301 1.00 0.00 H ATOM 1908 HD3 LYS A1127 6.837 38.835 25.142 1.00 0.00 H ATOM 1909 HE2 LYS A1127 8.405 37.638 26.668 1.00 0.00 H ATOM 1910 HE3 LYS A1127 9.566 37.478 25.346 1.00 0.00 H ATOM 1911 HZ1 LYS A1127 8.230 35.460 25.606 1.00 0.00 H ATOM 1912 HZ2 LYS A1127 7.907 36.159 24.148 1.00 0.00 H ATOM 1913 HZ3 LYS A1127 6.835 36.304 25.378 1.00 0.00 H ATOM 1914 N ILE A1128 10.221 42.003 24.057 1.00 20.72 N ATOM 1915 CA ILE A1128 11.680 41.976 24.258 1.00 19.79 C ATOM 1916 C ILE A1128 12.203 40.529 24.345 1.00 19.47 C ATOM 1917 O ILE A1128 11.585 39.656 24.965 1.00 19.63 O ATOM 1918 CB ILE A1128 12.081 42.853 25.469 1.00 20.89 C ATOM 1919 CG1 ILE A1128 11.955 44.336 25.048 1.00 21.74 C ATOM 1920 CG2 ILE A1128 13.503 42.560 25.984 1.00 18.95 C ATOM 1921 CD1 ILE A1128 12.209 45.347 26.171 1.00 24.16 C ATOM 1922 H ILE A1128 9.653 42.599 24.642 1.00 0.00 H ATOM 1923 HA ILE A1128 12.141 42.422 23.377 1.00 0.00 H ATOM 1924 HB ILE A1128 11.386 42.654 26.288 1.00 0.00 H ATOM 1925 HG12 ILE A1128 12.655 44.540 24.237 1.00 0.00 H ATOM 1926 HG13 ILE A1128 10.947 44.518 24.671 1.00 0.00 H ATOM 1927 HG21 ILE A1128 13.607 41.517 26.283 1.00 0.00 H ATOM 1928 HG22 ILE A1128 14.243 42.803 25.219 1.00 0.00 H ATOM 1929 HG23 ILE A1128 13.700 43.155 26.873 1.00 0.00 H ATOM 1930 HD11 ILE A1128 13.239 45.295 26.521 1.00 0.00 H ATOM 1931 HD12 ILE A1128 12.034 46.350 25.787 1.00 0.00 H ATOM 1932 HD13 ILE A1128 11.530 45.153 27.000 1.00 0.00 H ATOM 1933 N LYS A1129 13.343 40.292 23.684 1.00 17.55 N ATOM 1934 CA LYS A1129 14.064 39.011 23.599 1.00 18.21 C ATOM 1935 C LYS A1129 15.469 39.081 24.197 1.00 16.47 C ATOM 1936 O LYS A1129 15.881 38.112 24.826 1.00 15.01 O ATOM 1937 CB LYS A1129 14.123 38.535 22.133 1.00 21.19 C ATOM 1938 CG LYS A1129 12.752 38.326 21.462 1.00 25.69 C ATOM 1939 CD LYS A1129 11.824 37.343 22.194 1.00 30.09 C ATOM 1940 CE LYS A1129 12.292 35.884 22.091 1.00 32.33 C ATOM 1941 NZ LYS A1129 11.944 35.306 20.773 1.00 35.29 N ATOM 1942 H LYS A1129 13.748 41.088 23.199 1.00 0.00 H ATOM 1943 HA LYS A1129 13.546 38.266 24.201 1.00 0.00 H ATOM 1944 HB2 LYS A1129 14.678 39.271 21.548 1.00 0.00 H ATOM 1945 HB3 LYS A1129 14.680 37.598 22.091 1.00 0.00 H ATOM 1946 HG2 LYS A1129 12.245 39.284 21.394 1.00 0.00 H ATOM 1947 HG3 LYS A1129 12.914 37.979 20.441 1.00 0.00 H ATOM 1948 HD2 LYS A1129 10.822 37.439 21.778 1.00 0.00 H ATOM 1949 HD3 LYS A1129 11.746 37.622 23.242 1.00 0.00 H ATOM 1950 HE2 LYS A1129 13.371 35.836 22.259 1.00 0.00 H ATOM 1951 HE3 LYS A1129 11.797 35.309 22.876 1.00 0.00 H ATOM 1952 HZ1 LYS A1129 10.973 35.516 20.514 1.00 0.00 H ATOM 1953 HZ2 LYS A1129 12.133 34.325 20.663 1.00 0.00 H ATOM 1954 HZ3 LYS A1129 12.371 35.811 19.990 1.00 0.00 H ATOM 1955 N CYS A1130 16.118 40.245 24.154 1.00 15.23 N ATOM 1956 CA CYS A1130 17.304 40.548 24.954 1.00 17.09 C ATOM 1957 C CYS A1130 17.465 42.066 25.149 1.00 15.51 C ATOM 1958 O CYS A1130 17.000 42.864 24.332 1.00 13.82 O ATOM 1959 CB CYS A1130 18.560 39.900 24.337 1.00 21.15 C ATOM 1960 SG CYS A1130 18.835 40.396 22.611 1.00 27.52 S ATOM 1961 H CYS A1130 15.717 41.013 23.629 1.00 0.00 H ATOM 1962 HA CYS A1130 17.166 40.116 25.947 1.00 0.00 H ATOM 1963 HB2 CYS A1130 19.440 40.166 24.929 1.00 0.00 H ATOM 1964 HB3 CYS A1130 18.449 38.815 24.373 1.00 0.00 H ATOM 1965 HG CYS A1130 19.114 41.686 22.849 1.00 0.00 H ATOM 1966 N VAL A1131 18.161 42.444 26.220 1.00 14.09 N ATOM 1967 CA VAL A1131 18.631 43.809 26.496 1.00 13.77 C ATOM 1968 C VAL A1131 20.115 43.727 26.845 1.00 13.78 C ATOM 1969 O VAL A1131 20.531 42.733 27.444 1.00 13.40 O ATOM 1970 CB VAL A1131 17.825 44.482 27.630 1.00 14.66 C ATOM 1971 CG1 VAL A1131 18.290 45.906 27.960 1.00 15.24 C ATOM 1972 CG2 VAL A1131 16.339 44.568 27.264 1.00 13.62 C ATOM 1973 H VAL A1131 18.578 41.732 26.805 1.00 0.00 H ATOM 1974 HA VAL A1131 18.521 44.408 25.597 1.00 0.00 H ATOM 1975 HB VAL A1131 17.919 43.878 28.535 1.00 0.00 H ATOM 1976 HG11 VAL A1131 18.194 46.548 27.087 1.00 0.00 H ATOM 1977 HG12 VAL A1131 19.330 45.908 28.285 1.00 0.00 H ATOM 1978 HG13 VAL A1131 17.689 46.320 28.769 1.00 0.00 H ATOM 1979 HG21 VAL A1131 15.922 43.566 27.213 1.00 0.00 H ATOM 1980 HG22 VAL A1131 15.801 45.135 28.021 1.00 0.00 H ATOM 1981 HG23 VAL A1131 16.228 45.062 26.301 1.00 0.00 H ATOM 1982 N ALA A1132 20.895 44.720 26.439 1.00 14.82 N ATOM 1983 CA ALA A1132 22.291 44.873 26.828 1.00 15.33 C ATOM 1984 C ALA A1132 22.598 46.348 27.154 1.00 19.11 C ATOM 1985 O ALA A1132 21.725 47.214 27.038 1.00 16.73 O ATOM 1986 CB ALA A1132 23.189 44.262 25.749 1.00 15.87 C ATOM 1987 H ALA A1132 20.471 45.520 25.980 1.00 0.00 H ATOM 1988 HA ALA A1132 22.460 44.309 27.747 1.00 0.00 H ATOM 1989 HB1 ALA A1132 24.184 44.093 26.162 1.00 0.00 H ATOM 1990 HB2 ALA A1132 22.792 43.307 25.418 1.00 0.00 H ATOM 1991 HB3 ALA A1132 23.281 44.941 24.906 1.00 0.00 H ATOM 1992 N PHE A1133 23.723 46.550 27.816 1.00 22.42 N ATOM 1993 CA PHE A1133 24.109 47.781 28.481 1.00 27.44 C ATOM 1994 C PHE A1133 25.565 48.011 28.074 1.00 30.68 C ATOM 1995 O PHE A1133 26.442 47.266 28.512 1.00 30.98 O ATOM 1996 CB PHE A1133 23.885 47.618 29.993 1.00 27.04 C ATOM 1997 CG PHE A1133 22.484 47.171 30.401 1.00 27.95 C ATOM 1998 CD1 PHE A1133 22.169 45.797 30.460 1.00 27.84 C ATOM 1999 CD2 PHE A1133 21.490 48.116 30.719 1.00 27.68 C ATOM 2000 CE1 PHE A1133 20.871 45.372 30.803 1.00 28.88 C ATOM 2001 CE2 PHE A1133 20.194 47.693 31.074 1.00 28.37 C ATOM 2002 CZ PHE A1133 19.882 46.322 31.109 1.00 28.87 C ATOM 2003 H PHE A1133 24.506 45.955 27.560 1.00 0.00 H ATOM 2004 HA PHE A1133 23.511 48.616 28.118 1.00 0.00 H ATOM 2005 HB2 PHE A1133 24.596 46.884 30.370 1.00 0.00 H ATOM 2006 HB3 PHE A1133 24.118 48.563 30.481 1.00 0.00 H ATOM 2007 HD1 PHE A1133 22.928 45.066 30.225 1.00 0.00 H ATOM 2008 HD2 PHE A1133 21.722 49.170 30.684 1.00 0.00 H ATOM 2009 HE1 PHE A1133 20.639 44.317 30.829 1.00 0.00 H ATOM 2010 HE2 PHE A1133 19.434 48.424 31.306 1.00 0.00 H ATOM 2011 HZ PHE A1133 18.879 46.001 31.353 1.00 0.00 H ATOM 2012 N ASP A1134 25.666 48.733 26.958 1.00 34.91 N ATOM 2013 CA ASP A1134 26.432 48.371 25.752 1.00 38.68 C ATOM 2014 C ASP A1134 26.055 47.017 25.103 1.00 40.12 C ATOM 2015 O ASP A1134 25.580 46.104 25.816 1.00 40.74 O ATOM 2016 CB ASP A1134 27.942 48.659 25.920 1.00 41.23 C ATOM 2017 CG ASP A1134 28.325 50.138 26.165 1.00 43.86 C ATOM 2018 OD1 ASP A1134 29.549 50.385 26.215 1.00 46.31 O ATOM 2019 OD2 ASP A1134 27.457 51.041 25.982 1.00 46.25 O ATOM 2020 OXT ASP A1134 25.801 47.054 23.867 1.00 41.42 O ATOM 2021 H ASP A1134 24.873 49.321 26.764 1.00 0.00 H ATOM 2022 HA ASP A1134 26.122 49.098 25.008 1.00 0.00 H ATOM 2023 HB2 ASP A1134 28.328 48.054 26.740 1.00 0.00 H ATOM 2024 HB3 ASP A1134 28.452 48.334 25.013 1.00 0.00 H TER 2025 ASP A1134 CONECT 198 197 211 199 CONECT 215 212 216 223 CONECT 212 211 213 215 219 CONECT 213 212 214 221 220 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 214 217 213 CONECT 223 224 215 231 END If you find results from this site helpful for your research, please cite one of our papers:
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