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pdb1fmc.pdb
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pdb1fmc.pdb
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HEADER OXIDOREDUCTASE 26-APR-96 1FMC
TITLE 7-ALPHA-HYDROXYSTEROID DEHYDROGENASE COMPLEX WITH NADH AND
TITLE 2 7-OXO GLYCOCHENODEOXYCHOLIC ACID
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE;
COMPND 3 CHAIN: A, B;
COMPND 4 EC: 1.1.1.159;
COMPND 5 ENGINEERED: YES;
COMPND 6 BIOLOGICAL_UNIT: TETRAMER;
COMPND 7 OTHER_DETAILS: LIGANDS ARE NADH AND 7-OXO
COMPND 8 GLYCOCHENODEOXYCHOLIC ACID (CHO)
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 STRAIN: HB101;
SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI, DH1;
SOURCE 5 OTHER_DETAILS: COLON BACILLUS
KEYWDS SHORT-CHAIN DEHYDROGENASE/REDUCTASE, BILE ACID CATABOLISM
EXPDTA X-RAY DIFFRACTION
AUTHOR N.TANAKA,T.NONAKA,Y.MITSUI
REVDAT 1 08-NOV-96 1FMC 0
JRNL AUTH N.TANAKA,T.NONAKA,T.TANABE,T.YOSHIMOTO,D.TSURU,
JRNL AUTH 2 Y.MITSUI
JRNL TITL CRYSTAL STRUCTURES OF THE BINARY AND TERNARY
JRNL TITL 2 COMPLEXES OF 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE
JRNL TITL 3 FROM ESCHERICHIA COLI
JRNL REF BIOCHEMISTRY V. 35 7715 1996
JRNL REFN ASTM BICHAW US ISSN 0006-2960 0033
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH N.TANAKA,T.NONAKA,T.YOSHIMOTO,D.TSURU,Y.MITSUI
REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY
REMARK 1 TITL 2 CRYSTALLOGRAPHIC STUDIES OF 7ALPHA-HYDROXYSTEROID
REMARK 1 TITL 3 DEHYDROGENASE FROM ESCHERICHIA COLI
REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 51 215 1996
REMARK 1 REFN ASTM ABCRE6 DK ISSN 0907-4449 0766
REMARK 1 REFERENCE 2
REMARK 1 AUTH T.YOSHIMOTO,H.HIGASHI,A.KANATANI,X.S.LIN,H.NAGAI,
REMARK 1 AUTH 2 H.OYAMA,K.KURAZONO,D.TSURU
REMARK 1 TITL CLONING AND SEQUENCING OF THE 7
REMARK 1 TITL 2 ALPHA-HYDROXYSTEROID DEHYDROGENASE GENE FROM
REMARK 1 TITL 3 ESCHERICHIA COLI HB101 AND CHARACTERIZATION OF THE
REMARK 1 TITL 4 EXPRESSED ENZYME
REMARK 1 REF J.BACTERIOL. V. 173 2173 1991
REMARK 1 REFN ASTM JOBAAY US ISSN 0021-9193 0767
REMARK 2
REMARK 2 RESOLUTION. 1.80 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.8
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.0
REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.0
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 83.8
REMARK 3 NUMBER OF REFLECTIONS : 56376
REMARK 3
REMARK 3 FIT TO DATA USED IN REFINEMENT.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING SET) : 0.207
REMARK 3 FREE R VALUE : 0.252
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.00
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL
REMARK 3
REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.
REMARK 3 TOTAL NUMBER OF BINS USED : NULL
REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL
REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL
REMARK 3 BIN R VALUE (WORKING SET) : NULL
REMARK 3 BIN FREE R VALUE : NULL
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 3752
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 144
REMARK 3 SOLVENT ATOMS : 242
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.1
REMARK 3 OVERALL ANISOTROPIC B VALUE.
REMARK 3 B11 (A**2) : NULL
REMARK 3 B22 (A**2) : NULL
REMARK 3 B33 (A**2) : NULL
REMARK 3 B12 (A**2) : NULL
REMARK 3 B13 (A**2) : NULL
REMARK 3 B23 (A**2) : NULL
REMARK 3
REMARK 3 ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.25
REMARK 3 ESD FROM SIGMAA (A) : NULL
REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL
REMARK 3
REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.011
REMARK 3 BOND ANGLES (DEGREES) : 1.602
REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.602
REMARK 3 IMPROPER ANGLES (DEGREES) : 1.472
REMARK 3
REMARK 3 ISOTROPIC THERMAL MODEL : NULL
REMARK 3
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA
REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL
REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL
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 : NULL
REMARK 3 PARAMETER FILE 2 : NULL
REMARK 3 TOPOLOGY FILE 1 : NULL
REMARK 3 TOPOLOGY FILE 2 : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1FMC COMPLIES WITH FORMAT V. 2.1, 25-OCT-1996
REMARK 6
REMARK 6 HET GROUP CHO IS 7-OXO GLYCOCHENODEOXYCHOLIC ACID.
REMARK 6 THE GLYCINE MOIETY OF THE 7-OXO GLYCOCHENODEOXYCHOLIC
REMARK 6 ACID MOLECULE COULD NOT BE LOCATED IN ANY DIFFERENCE
REMARK 6 ELECTRON DENSITY MAPS AND, THEREFORE, THE HETATM RECORDS
REMARK 6 BELOW FOR CHO CONTAIN THE REMAINING PORTION, CORRESPONDING
REMARK 6 TO 7-OXO LITHOCHOLIC ACID.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 23-APR-1995
REMARK 200 TEMPERATURE (KELVIN) : 293
REMARK 200 PH : 8.5
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : PHOTON FACTORY
REMARK 200 BEAMLINE : BL18B
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.00
REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL
REMARK 200 OPTICS : BENT CYLINDER
REMARK 200
REMARK 200 DETECTOR TYPE : WEISSENBERG CAMERA
REMARK 200 DETECTOR MANUFACTURER : DR. N.WATANABE
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : WEIS
REMARK 200 DATA SCALING SOFTWARE : NULL
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 57290
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.80
REMARK 200 RESOLUTION RANGE LOW (A) : 76.7
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 84.0
REMARK 200 DATA REDUNDANCY : 3.9
REMARK 200 R MERGE (I) : 0.085
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 62.
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,1/2+Z
REMARK 290 3555 1/2-Y,1/2+X,1/4+Z
REMARK 290 4555 1/2+Y,1/2-X,3/4+Z
REMARK 290 5555 1/2-X,1/2+Y,1/4-Z
REMARK 290 6555 1/2+X,1/2-Y,3/4-Z
REMARK 290 7555 Y,X,-Z
REMARK 290 8555 -Y,-X,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 0.00000
REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 107.29613
REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 40.82632
REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 40.82632
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 53.64807
REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 40.82632
REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 40.82632
REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 160.94420
REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 40.82632
REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 40.82632
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 53.64807
REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 40.82632
REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 40.82632
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 160.94420
REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 107.29613
REMARK 290
REMARK 290 REMARK: NULL
REMARK 295
REMARK 295 NON-CRYSTALLOGRAPHIC SYMMETRY
REMARK 295 THE TRANSFORMATIONS PRESENTED ON THE MTRIX RECORDS BELOW
REMARK 295 DESCRIBE NON-CRYSTALLOGRAPHIC RELATIONSHIPS AMONG ATOMS
REMARK 295 IN THIS ENTRY. APPLYING THE APPROPRIATE MTRIX
REMARK 295 TRANSFORMATION TO THE RESIDUES LISTED FIRST WILL YIELD
REMARK 295 APPROXIMATE COORDINATES FOR THE RESIDUES LISTED SECOND.
REMARK 295 CHAIN IDENTIFIERS GIVEN AS "?" REFER TO CHAINS FOR WHICH
REMARK 295 ATOMS ARE NOT FOUND IN THIS ENTRY.
REMARK 295
REMARK 295 APPLIED TO TRANSFORMED TO
REMARK 295 TRANSFORM CHAIN RESIDUES CHAIN RESIDUES RMSD
REMARK 295 SSS
REMARK 295 M 1 A 1 .. 255 B 1 .. 255 0.325
REMARK 295
REMARK 295 WHERE SSS -> COLUMNS 8-10 OF MTRIX RECORDS
REMARK 295
REMARK 295 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE
REMARK 300 THE ASYMMETRIC UNIT OF THE CRYSTAL CONTAINS TWO SUBUNITS
REMARK 300 CHAIN A AND CHAIN B) OF THE TETRAMER. THE OTHER TWO
REMARK 300 SUBUNITS ARE GENERATED BY APPLYING A TWO-FOLD ROTATION.
REMARK 350
REMARK 350 GENERATING THE BIOMOLECULE
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 APPLY THE FOLLOWING TO CHAINS: A, B
REMARK 350 BIOMT1 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 -1.000000 0.00000
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: PROCHECK.
REMARK 700
REMARK 700 SHEET
REMARK 700 DETERMINATION METHOD: PROCHECK.
DBREF 1FMC A 1 255 SWS P25529 HDHA_ECOLI 1 255
DBREF 1FMC B 1 255 SWS P25529 HDHA_ECOLI 1 255
SEQRES 1 A 255 MET PHE ASN SER ASP ASN LEU ARG LEU ASP GLY LYS CYS
SEQRES 2 A 255 ALA ILE ILE THR GLY ALA GLY ALA GLY ILE GLY LYS GLU
SEQRES 3 A 255 ILE ALA ILE THR PHE ALA THR ALA GLY ALA SER VAL VAL
SEQRES 4 A 255 VAL SER ASP ILE ASN ALA ASP ALA ALA ASN HIS VAL VAL
SEQRES 5 A 255 ASP GLU ILE GLN GLN LEU GLY GLY GLN ALA PHE ALA CYS
SEQRES 6 A 255 ARG CYS ASP ILE THR SER GLU GLN GLU LEU SER ALA LEU
SEQRES 7 A 255 ALA ASP PHE ALA ILE SER LYS LEU GLY LYS VAL ASP ILE
SEQRES 8 A 255 LEU VAL ASN ASN ALA GLY GLY GLY GLY PRO LYS PRO PHE
SEQRES 9 A 255 ASP MET PRO MET ALA ASP PHE ARG ARG ALA TYR GLU LEU
SEQRES 10 A 255 ASN VAL PHE SER PHE PHE HIS LEU SER GLN LEU VAL ALA
SEQRES 11 A 255 PRO GLU MET GLU LYS ASN GLY GLY GLY VAL ILE LEU THR
SEQRES 12 A 255 ILE THR SER MET ALA ALA GLU ASN LYS ASN ILE ASN MET
SEQRES 13 A 255 THR SER TYR ALA SER SER LYS ALA ALA ALA SER HIS LEU
SEQRES 14 A 255 VAL ARG ASN MET ALA PHE ASP LEU GLY GLU LYS ASN ILE
SEQRES 15 A 255 ARG VAL ASN GLY ILE ALA PRO GLY ALA ILE LEU THR ASP
SEQRES 16 A 255 ALA LEU LYS SER VAL ILE THR PRO GLU ILE GLU GLN LYS
SEQRES 17 A 255 MET LEU GLN HIS THR PRO ILE ARG ARG LEU GLY GLN PRO
SEQRES 18 A 255 GLN ASP ILE ALA ASN ALA ALA LEU PHE LEU CYS SER PRO
SEQRES 19 A 255 ALA ALA SER TRP VAL SER GLY GLN ILE LEU THR VAL SER
SEQRES 20 A 255 GLY GLY GLY VAL GLN GLU LEU ASN
SEQRES 1 B 255 MET PHE ASN SER ASP ASN LEU ARG LEU ASP GLY LYS CYS
SEQRES 2 B 255 ALA ILE ILE THR GLY ALA GLY ALA GLY ILE GLY LYS GLU
SEQRES 3 B 255 ILE ALA ILE THR PHE ALA THR ALA GLY ALA SER VAL VAL
SEQRES 4 B 255 VAL SER ASP ILE ASN ALA ASP ALA ALA ASN HIS VAL VAL
SEQRES 5 B 255 ASP GLU ILE GLN GLN LEU GLY GLY GLN ALA PHE ALA CYS
SEQRES 6 B 255 ARG CYS ASP ILE THR SER GLU GLN GLU LEU SER ALA LEU
SEQRES 7 B 255 ALA ASP PHE ALA ILE SER LYS LEU GLY LYS VAL ASP ILE
SEQRES 8 B 255 LEU VAL ASN ASN ALA GLY GLY GLY GLY PRO LYS PRO PHE
SEQRES 9 B 255 ASP MET PRO MET ALA ASP PHE ARG ARG ALA TYR GLU LEU
SEQRES 10 B 255 ASN VAL PHE SER PHE PHE HIS LEU SER GLN LEU VAL ALA
SEQRES 11 B 255 PRO GLU MET GLU LYS ASN GLY GLY GLY VAL ILE LEU THR
SEQRES 12 B 255 ILE THR SER MET ALA ALA GLU ASN LYS ASN ILE ASN MET
SEQRES 13 B 255 THR SER TYR ALA SER SER LYS ALA ALA ALA SER HIS LEU
SEQRES 14 B 255 VAL ARG ASN MET ALA PHE ASP LEU GLY GLU LYS ASN ILE
SEQRES 15 B 255 ARG VAL ASN GLY ILE ALA PRO GLY ALA ILE LEU THR ASP
SEQRES 16 B 255 ALA LEU LYS SER VAL ILE THR PRO GLU ILE GLU GLN LYS
SEQRES 17 B 255 MET LEU GLN HIS THR PRO ILE ARG ARG LEU GLY GLN PRO
SEQRES 18 B 255 GLN ASP ILE ALA ASN ALA ALA LEU PHE LEU CYS SER PRO
SEQRES 19 B 255 ALA ALA SER TRP VAL SER GLY GLN ILE LEU THR VAL SER
SEQRES 20 B 255 GLY GLY GLY VAL GLN GLU LEU ASN
HET NAD A 256 44
HET CHO A 257 28
HET NAD B 256 44
HET CHO B 257 28
HETNAM NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE
HETNAM CHO GLYCOCHENODEOXYCHOLIC ACID
FORMUL 3 NAD 2(C21 H27 N7 O14 P2)
FORMUL 4 CHO 2(C26 H42 N1 O5)
FORMUL 5 HOH *242(H2 O1)
HELIX 1 BA GLY A 22 ALA A 32 1 11
HELIX 2 CA ALA A 45 GLN A 57 1 13
HELIX 3 DA GLU A 72 LEU A 86 1 15
HELIX 4 EA MET A 108 ASN A 136 1 29
HELIX 5 FA THR A 157 GLY A 178 1 22
HELIX 6 1A ASP A 195 LYS A 198 1 TERMED FG1 IN THE ABOVE JRNL. 4
HELIX 7 2A PRO A 203 GLN A 211 1 TERMED FG2 IN THE ABOVE JRNL. 9
HELIX 8 GA PRO A 221 CYS A 232 1 12
HELIX 9 BB GLY B 22 THR B 33 1 12
HELIX 10 CB ALA B 45 GLN B 57 1 13
HELIX 11 DB GLU B 72 LEU B 86 1 15
HELIX 12 EB MET B 108 LYS B 135 1 28
HELIX 13 FB THR B 157 GLY B 178 1 22
HELIX 14 1B ASP B 195 LYS B 198 1 TERMED FG1 IN THE ABOVE JRNL. 4
HELIX 15 2B PRO B 203 GLN B 211 1 TERMED FG2 IN THE ABOVE JRNL. 9
HELIX 16 GB PRO B 221 CYS B 232 1 12
SHEET 1 S1A 7 ALA A 62 ARG A 66 0
SHEET 2 S1A 7 SER A 37 ASP A 42 1 N VAL A 40 O PHE A 63
SHEET 3 S1A 7 CYS A 13 ILE A 16 1 N ILE A 16 O VAL A 39
SHEET 4 S1A 7 ILE A 91 ASN A 94 1 N VAL A 93 O ILE A 15
SHEET 5 S1A 7 GLY A 139 ILE A 144 1 N LEU A 142 O LEU A 92
SHEET 6 S1A 7 ILE A 182 PRO A 189 1 N ASN A 185 O ILE A 141
SHEET 7 S1A 7 ILE A 243 VAL A 246 1 N LEU A 244 O GLY A 186
SHEET 1 S1B 7 ALA B 62 ARG B 66 0
SHEET 2 S1B 7 SER B 37 ASP B 42 1 N VAL B 40 O PHE B 63
SHEET 3 S1B 7 CYS B 13 ILE B 16 1 N ILE B 16 O VAL B 39
SHEET 4 S1B 7 ILE B 91 ASN B 94 1 N VAL B 93 O ILE B 15
SHEET 5 S1B 7 GLY B 139 ILE B 144 1 N LEU B 142 O LEU B 92
SHEET 6 S1B 7 ILE B 182 PRO B 189 1 N ASN B 185 O ILE B 141
SHEET 7 S1B 7 ILE B 243 VAL B 246 1 N LEU B 244 O GLY B 186
CRYST1 81.650 81.650 214.600 90.00 90.00 90.00 P 41 21 2 16
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 0.012247 0.000000 0.000000 0.00000
SCALE2 0.000000 0.012247 0.000000 0.00000
SCALE3 0.000000 0.000000 0.004660 0.00000
MTRIX1 1 -0.159630 -0.842545 -0.514428 53.16300 1
MTRIX2 1 -0.846838 -0.150935 0.509984 53.07550 1
MTRIX3 1 -0.507330 0.517046 -0.689406 -0.29780 1
ATOM 1 N MET A 1 22.518 17.379 31.003 1.00 34.99 N
ATOM 2 CA MET A 1 23.426 17.764 32.113 1.00 34.03 C
ATOM 3 C MET A 1 24.847 17.467 31.658 1.00 31.63 C
ATOM 4 O MET A 1 25.068 16.552 30.866 1.00 30.35 O
ATOM 5 CB MET A 1 23.085 16.947 33.363 1.00 39.61 C
ATOM 6 CG MET A 1 23.898 17.270 34.619 1.00 43.11 C
ATOM 7 SD MET A 1 23.581 16.046 35.933 1.00 46.99 S
ATOM 8 CE MET A 1 21.775 16.030 35.928 1.00 45.56 C
ATOM 9 N PHE A 2 25.800 18.235 32.169 1.00 29.21 N
ATOM 10 CA PHE A 2 27.202 18.085 31.815 1.00 30.12 C
ATOM 11 C PHE A 2 27.819 16.790 32.347 1.00 32.54 C
ATOM 12 O PHE A 2 27.533 16.370 33.478 1.00 33.16 O
ATOM 13 CB PHE A 2 27.973 19.291 32.346 1.00 28.78 C
ATOM 14 CG PHE A 2 29.461 19.209 32.161 1.00 30.72 C
ATOM 15 CD1 PHE A 2 30.040 19.499 30.934 1.00 31.08 C
ATOM 16 CD2 PHE A 2 30.291 18.922 33.238 1.00 30.83 C
ATOM 17 CE1 PHE A 2 31.430 19.513 30.783 1.00 33.04 C
ATOM 18 CE2 PHE A 2 31.676 18.932 33.098 1.00 31.56 C
ATOM 19 CZ PHE A 2 32.247 19.230 31.869 1.00 32.48 C
ATOM 20 N ASN A 3 28.637 16.148 31.512 1.00 30.67 N
ATOM 21 CA ASN A 3 29.330 14.920 31.877 1.00 28.32 C
ATOM 22 C ASN A 3 30.701 14.951 31.233 1.00 28.64 C
ATOM 23 O ASN A 3 30.855 14.735 30.034 1.00 28.60 O
ATOM 24 CB ASN A 3 28.564 13.676 31.430 1.00 29.80 C
ATOM 25 CG ASN A 3 29.202 12.356 31.977 1.00 31.93 C
ATOM 26 OD1 ASN A 3 30.317 12.363 32.508 1.00 34.26 O
ATOM 27 ND2 ASN A 3 28.480 11.247 31.851 1.00 33.31 N
ATOM 28 N SER A 4 31.700 15.221 32.050 1.00 28.08 N
ATOM 29 CA SER A 4 33.065 15.312 31.592 1.00 29.50 C
ATOM 30 C SER A 4 33.536 14.084 30.839 1.00 27.19 C
ATOM 31 O SER A 4 34.386 14.185 29.963 1.00 26.71 O
ATOM 32 CB SER A 4 33.976 15.551 32.789 1.00 32.72 C
ATOM 33 OG SER A 4 33.711 14.588 33.797 1.00 39.40 O
ATOM 34 N ASP A 5 33.015 12.919 31.197 1.00 24.49 N
ATOM 35 CA ASP A 5 33.434 11.694 30.538 1.00 24.03 C
ATOM 36 C ASP A 5 32.945 11.548 29.105 1.00 22.48 C
ATOM 37 O ASP A 5 33.463 10.729 28.355 1.00 19.22 O
ATOM 38 CB ASP A 5 33.025 10.466 31.350 1.00 27.54 C
ATOM 39 CG ASP A 5 33.854 10.302 32.657 1.00 31.11 C
ATOM 40 OD1 ASP A 5 35.038 10.718 32.697 1.00 29.83 O
ATOM 41 OD2 ASP A 5 33.297 9.735 33.620 1.00 36.51 O
ATOM 42 N ASN A 6 31.926 12.313 28.740 1.00 21.26 N
ATOM 43 CA ASN A 6 31.381 12.266 27.388 1.00 23.61 C
ATOM 44 C ASN A 6 32.248 13.038 26.404 1.00 23.03 C
ATOM 45 O ASN A 6 32.019 12.997 25.194 1.00 23.85 O
ATOM 46 CB ASN A 6 29.972 12.834 27.363 1.00 22.44 C
ATOM 47 CG ASN A 6 28.946 11.833 27.751 1.00 24.96 C
ATOM 48 OD1 ASN A 6 27.807 12.196 28.019 1.00 30.53 O
ATOM 49 ND2 ASN A 6 29.315 10.554 27.782 1.00 23.30 N
ATOM 50 N LEU A 7 33.219 13.768 26.937 1.00 21.27 N
ATOM 51 CA LEU A 7 34.133 14.549 26.126 1.00 22.48 C
ATOM 52 C LEU A 7 35.491 13.872 26.053 1.00 23.54 C
ATOM 53 O LEU A 7 36.447 14.449 25.533 1.00 25.91 O
ATOM 54 CB LEU A 7 34.289 15.944 26.714 1.00 25.07 C
ATOM 55 CG LEU A 7 32.990 16.735 26.814 1.00 29.35 C
ATOM 56 CD1 LEU A 7 33.220 18.005 27.594 1.00 30.84 C
ATOM 57 CD2 LEU A 7 32.495 17.055 25.432 1.00 31.86 C
ATOM 58 N ARG A 8 35.585 12.660 26.592 1.00 22.88 N
ATOM 59 CA ARG A 8 36.838 11.918 26.575 1.00 22.62 C
ATOM 60 C ARG A 8 36.749 10.684 25.681 1.00 22.38 C
ATOM 61 O ARG A 8 35.657 10.261 25.281 1.00 21.76 O
ATOM 62 CB ARG A 8 37.263 11.529 27.997 1.00 24.37 C
ATOM 63 CG ARG A 8 37.886 12.678 28.796 1.00 25.10 C
ATOM 64 CD ARG A 8 38.305 12.233 30.201 1.00 26.02 C
ATOM 65 NE ARG A 8 39.302 11.168 30.166 1.00 24.82 N
ATOM 66 CZ ARG A 8 40.612 11.377 30.209 1.00 23.79 C
ATOM 67 NH1 ARG A 8 41.080 12.615 30.313 1.00 25.15 N
ATOM 68 NH2 ARG A 8 41.453 10.351 30.164 1.00 24.46 N
ATOM 69 N LEU A 9 37.907 10.097 25.401 1.00 22.99 N
ATOM 70 CA LEU A 9 38.018 8.939 24.522 1.00 25.34 C
ATOM 71 C LEU A 9 38.517 7.716 25.259 1.00 27.64 C
ATOM 72 O LEU A 9 39.194 6.862 24.673 1.00 26.82 O
ATOM 73 CB LEU A 9 38.996 9.252 23.377 1.00 23.29 C
ATOM 74 CG LEU A 9 38.557 10.004 22.106 1.00 23.38 C
ATOM 75 CD1 LEU A 9 37.175 10.594 22.210 1.00 19.11 C
ATOM 76 CD2 LEU A 9 39.585 11.066 21.778 1.00 22.03 C
ATOM 77 N ASP A 10 38.181 7.620 26.542 1.00 28.56 N
ATOM 78 CA ASP A 10 38.621 6.486 27.341 1.00 27.78 C
ATOM 79 C ASP A 10 38.260 5.133 26.719 1.00 26.60 C
ATOM 80 O ASP A 10 37.097 4.864 26.415 1.00 26.91 O
ATOM 81 CB ASP A 10 38.046 6.588 28.760 1.00 30.58 C
ATOM 82 CG ASP A 10 38.413 7.894 29.447 1.00 30.97 C
ATOM 83 OD1 ASP A 10 39.621 8.107 29.692 1.00 32.80 O
ATOM 84 OD2 ASP A 10 37.494 8.704 29.728 1.00 36.22 O
ATOM 85 N GLY A 11 39.275 4.300 26.514 1.00 26.50 N
ATOM 86 CA GLY A 11 39.060 2.976 25.954 1.00 27.05 C
ATOM 87 C GLY A 11 38.859 2.909 24.449 1.00 28.20 C
ATOM 88 O GLY A 11 38.480 1.855 23.936 1.00 27.01 O
ATOM 89 N LYS A 12 39.069 4.032 23.754 1.00 29.19 N
ATOM 90 CA LYS A 12 38.925 4.117 22.295 1.00 26.40 C
ATOM 91 C LYS A 12 40.296 3.983 21.642 1.00 25.90 C
ATOM 92 O LYS A 12 41.295 4.473 22.179 1.00 25.73 O
ATOM 93 CB LYS A 12 38.324 5.466 21.895 1.00 25.98 C
ATOM 94 CG LYS A 12 36.932 5.719 22.415 1.00 28.11 C
ATOM 95 CD LYS A 12 35.918 4.878 21.688 1.00 32.41 C
ATOM 96 CE LYS A 12 34.574 4.897 22.415 1.00 37.11 C
ATOM 97 NZ LYS A 12 34.053 6.270 22.674 1.00 38.90 N
ATOM 98 N CYS A 13 40.333 3.349 20.472 1.00 24.85 N
ATOM 99 CA CYS A 13 41.571 3.139 19.713 1.00 23.61 C
ATOM 100 C CYS A 13 41.473 3.917 18.405 1.00 23.61 C
ATOM 101 O CYS A 13 40.523 3.722 17.636 1.00 21.25 O
ATOM 102 CB CYS A 13 41.736 1.659 19.417 1.00 22.89 C
ATOM 103 SG CYS A 13 41.688 0.661 20.913 1.00 27.56 S
ATOM 104 N ALA A 14 42.461 4.769 18.150 1.00 21.33 N
ATOM 105 CA ALA A 14 42.464 5.614 16.961 1.00 20.05 C
ATOM 106 C ALA A 14 43.706 5.492 16.090 1.00 22.62 C
ATOM 107 O ALA A 14 44.813 5.269 16.597 1.00 22.02 O
ATOM 108 CB ALA A 14 42.298 7.061 17.372 1.00 15.35 C
ATOM 109 N ILE A 15 43.512 5.627 14.775 1.00 22.48 N
ATOM 110 CA ILE A 15 44.613 5.622 13.814 1.00 21.31 C
ATOM 111 C ILE A 15 44.682 7.065 13.336 1.00 20.05 C
ATOM 112 O ILE A 15 43.653 7.645 13.006 1.00 21.75 O
ATOM 113 CB ILE A 15 44.335 4.772 12.566 1.00 23.48 C
ATOM 114 CG1 ILE A 15 44.045 3.330 12.936 1.00 23.70 C
ATOM 115 CG2 ILE A 15 45.554 4.834 11.632 1.00 24.15 C
ATOM 116 CD1 ILE A 15 43.789 2.458 11.728 1.00 25.96 C
ATOM 117 N ILE A 16 45.864 7.663 13.356 1.00 19.76 N
ATOM 118 CA ILE A 16 46.031 9.042 12.908 1.00 23.07 C
ATOM 119 C ILE A 16 47.170 9.103 11.891 1.00 23.67 C
ATOM 120 O ILE A 16 48.307 8.732 12.196 1.00 24.33 O
ATOM 121 CB ILE A 16 46.338 9.993 14.094 1.00 23.74 C
ATOM 122 CG1 ILE A 16 45.271 9.810 15.182 1.00 25.36 C
ATOM 123 CG2 ILE A 16 46.366 11.443 13.621 1.00 20.50 C
ATOM 124 CD1 ILE A 16 45.528 10.541 16.436 1.00 28.63 C
ATOM 125 N THR A 17 46.839 9.505 10.666 1.00 22.47 N
ATOM 126 CA THR A 17 47.814 9.611 9.586 1.00 19.17 C
ATOM 127 C THR A 17 48.455 10.982 9.602 1.00 18.77 C
ATOM 128 O THR A 17 47.827 11.956 10.013 1.00 20.48 O
ATOM 129 CB THR A 17 47.150 9.355 8.223 1.00 19.32 C
ATOM 130 OG1 THR A 17 46.137 10.340 7.983 1.00 19.44 O
ATOM 131 CG2 THR A 17 46.521 7.981 8.206 1.00 17.31 C
ATOM 132 N GLY A 18 49.701 11.059 9.145 1.00 21.07 N
ATOM 133 CA GLY A 18 50.434 12.319 9.140 1.00 22.03 C
ATOM 134 C GLY A 18 50.574 12.918 10.537 1.00 23.05 C
ATOM 135 O GLY A 18 50.624 14.147 10.709 1.00 23.97 O
ATOM 136 N ALA A 19 50.677 12.041 11.533 1.00 25.24 N
ATOM 137 CA ALA A 19 50.773 12.439 12.935 1.00 26.55 C
ATOM 138 C ALA A 19 52.172 12.801 13.423 1.00 27.68 C
ATOM 139 O ALA A 19 52.349 13.149 14.585 1.00 28.70 O
ATOM 140 CB ALA A 19 50.182 11.346 13.809 1.00 26.25 C
ATOM 141 N GLY A 20 53.154 12.761 12.529 1.00 27.74 N
ATOM 142 CA GLY A 20 54.521 13.081 12.903 1.00 25.82 C
ATOM 143 C GLY A 20 54.782 14.547 13.196 1.00 26.12 C
ATOM 144 O GLY A 20 55.813 14.894 13.792 1.00 26.41 O
ATOM 145 N ALA A 21 53.865 15.414 12.772 1.00 24.84 N
ATOM 146 CA ALA A 21 54.019 16.846 12.992 1.00 23.83 C
ATOM 147 C ALA A 21 52.746 17.652 12.755 1.00 23.16 C
ATOM 148 O ALA A 21 51.706 17.113 12.359 1.00 22.54 O
ATOM 149 CB ALA A 21 55.157 17.396 12.138 1.00 22.85 C
ATOM 150 N GLY A 22 52.842 18.940 13.078 1.00 23.06 N
ATOM 151 CA GLY A 22 51.747 19.879 12.908 1.00 23.61 C
ATOM 152 C GLY A 22 50.436 19.428 13.493 1.00 24.21 C
ATOM 153 O GLY A 22 50.399 18.826 14.566 1.00 24.77 O
ATOM 154 N ILE A 23 49.363 19.693 12.759 1.00 22.49 N
ATOM 155 CA ILE A 23 48.013 19.331 13.164 1.00 21.86 C
ATOM 156 C ILE A 23 47.888 17.840 13.549 1.00 23.22 C
ATOM 157 O ILE A 23 47.277 17.508 14.574 1.00 25.24 O
ATOM 158 CB ILE A 23 47.013 19.665 12.029 1.00 20.49 C
ATOM 159 CG1 ILE A 23 47.009 21.166 11.745 1.00 22.88 C
ATOM 160 CG2 ILE A 23 45.633 19.173 12.365 1.00 20.50 C
ATOM 161 CD1 ILE A 23 46.183 21.553 10.513 1.00 23.00 C
ATOM 162 N GLY A 24 48.479 16.950 12.754 1.00 21.46 N
ATOM 163 CA GLY A 24 48.387 15.528 13.036 1.00 20.86 C
ATOM 164 C GLY A 24 48.970 15.164 14.388 1.00 22.41 C
ATOM 165 O GLY A 24 48.376 14.394 15.144 1.00 20.74 O
ATOM 166 N LYS A 25 50.127 15.737 14.702 1.00 24.12 N
ATOM 167 CA LYS A 25 50.789 15.482 15.982 1.00 27.88 C
ATOM 168 C LYS A 25 49.922 15.946 17.166 1.00 27.92 C
ATOM 169 O LYS A 25 49.712 15.197 18.130 1.00 27.91 O
ATOM 170 CB LYS A 25 52.150 16.187 16.023 1.00 28.45 C
ATOM 171 CG LYS A 25 52.922 16.001 17.323 1.00 28.60 C
ATOM 172 CD LYS A 25 54.137 16.893 17.327 1.00 29.16 C
ATOM 173 CE LYS A 25 55.003 16.636 18.538 1.00 33.32 C
ATOM 174 NZ LYS A 25 56.256 17.451 18.475 1.00 36.46 N
ATOM 175 N GLU A 26 49.407 17.169 17.073 1.00 26.69 N
ATOM 176 CA GLU A 26 48.574 17.730 18.124 1.00 26.24 C
ATOM 177 C GLU A 26 47.332 16.891 18.358 1.00 25.69 C
ATOM 178 O GLU A 26 46.891 16.730 19.490 1.00 24.18 O
ATOM 179 CB GLU A 26 48.171 19.155 17.789 1.00 31.06 C
ATOM 180 CG GLU A 26 47.738 19.932 18.998 1.00 38.45 C
ATOM 181 CD GLU A 26 48.832 19.946 20.063 1.00 45.52 C
ATOM 182 OE1 GLU A 26 49.842 20.667 19.883 1.00 46.76 O
ATOM 183 OE2 GLU A 26 48.687 19.208 21.065 1.00 50.66 O
ATOM 184 N ILE A 27 46.745 16.379 17.285 1.00 23.26 N
ATOM 185 CA ILE A 27 45.570 15.542 17.420 1.00 21.66 C
ATOM 186 C ILE A 27 45.960 14.249 18.141 1.00 20.67 C
ATOM 187 O ILE A 27 45.247 13.792 19.032 1.00 20.04 O
ATOM 188 CB ILE A 27 44.928 15.217 16.042 1.00 21.51 C
ATOM 189 CG1 ILE A 27 44.324 16.484 15.431 1.00 20.70 C
ATOM 190 CG2 ILE A 27 43.825 14.162 16.194 1.00 18.39 C
ATOM 191 CD1 ILE A 27 43.740 16.274 14.031 1.00 23.19 C
ATOM 192 N ALA A 28 47.105 13.682 17.787 1.00 19.90 N
ATOM 193 CA ALA A 28 47.565 12.446 18.406 1.00 19.84 C
ATOM 194 C ALA A 28 47.772 12.614 19.924 1.00 21.63 C
ATOM 195 O ALA A 28 47.298 11.801 20.719 1.00 20.78 O
ATOM 196 CB ALA A 28 48.859 11.980 17.739 1.00 17.42 C
ATOM 197 N ILE A 29 48.442 13.692 20.315 1.00 22.71 N
ATOM 198 CA ILE A 29 48.713 13.963 21.722 1.00 23.47 C
ATOM 199 C ILE A 29 47.427 14.275 22.472 1.00 23.69 C
ATOM 200 O ILE A 29 47.198 13.731 23.552 1.00 26.28 O
ATOM 201 CB ILE A 29 49.733 15.104 21.880 1.00 23.40 C
ATOM 202 CG1 ILE A 29 51.102 14.629 21.406 1.00 24.13 C
ATOM 203 CG2 ILE A 29 49.821 15.576 23.331 1.00 23.58 C
ATOM 204 CD1 ILE A 29 52.083 15.758 21.201 1.00 27.91 C
ATOM 205 N THR A 30 46.577 15.119 21.898 1.00 21.99 N
ATOM 206 CA THR A 30 45.314 15.460 22.526 1.00 20.52 C
ATOM 207 C THR A 30 44.430 14.225 22.722 1.00 22.41 C
ATOM 208 O THR A 30 43.829 14.065 23.781 1.00 24.16 O
ATOM 209 CB THR A 30 44.562 16.528 21.726 1.00 20.11 C
ATOM 210 OG1 THR A 30 45.279 17.769 21.804 1.00 20.31 O
ATOM 211 CG2 THR A 30 43.160 16.715 22.264 1.00 22.15 C
ATOM 212 N PHE A 31 44.386 13.331 21.735 1.00 20.82 N
ATOM 213 CA PHE A 31 43.574 12.114 21.828 1.00 20.64 C
ATOM 214 C PHE A 31 44.110 11.124 22.877 1.00 21.80 C
ATOM 215 O PHE A 31 43.330 10.477 23.584 1.00 20.12 O
ATOM 216 CB PHE A 31 43.484 11.401 20.462 1.00 21.50 C
ATOM 217 CG PHE A 31 42.387 11.926 19.546 1.00 19.44 C
ATOM 218 CD1 PHE A 31 41.926 13.234 19.646 1.00 19.19 C
ATOM 219 CD2 PHE A 31 41.828 11.096 18.570 1.00 19.67 C
ATOM 220 CE1 PHE A 31 40.925 13.711 18.787 1.00 20.01 C
ATOM 221 CE2 PHE A 31 40.830 11.561 17.709 1.00 18.19 C
ATOM 222 CZ PHE A 31 40.377 12.869 17.817 1.00 17.95 C
ATOM 223 N ALA A 32 45.427 10.937 22.898 1.00 22.41 N
ATOM 224 CA ALA A 32 46.072 10.033 23.858 1.00 23.92 C
ATOM 225 C ALA A 32 45.805 10.529 25.273 1.00 23.02 C
ATOM 226 O ALA A 32 45.392 9.760 26.137 1.00 22.86 O
ATOM 227 CB ALA A 32 47.572 9.969 23.610 1.00 20.67 C
ATOM 228 N THR A 33 45.979 11.831 25.482 1.00 22.89 N
ATOM 229 CA THR A 33 45.756 12.421 26.786 1.00 23.86 C
ATOM 230 C THR A 33 44.279 12.575 27.172 1.00 24.99 C
ATOM 231 O THR A 33 43.970 13.044 28.265 1.00 27.99 O
ATOM 232 CB THR A 33 46.537 13.743 26.961 1.00 23.87 C
ATOM 233 OG1 THR A 33 46.056 14.730 26.046 1.00 27.68 O
ATOM 234 CG2 THR A 33 48.022 13.509 26.741 1.00 22.30 C
ATOM 235 N ALA A 34 43.369 12.188 26.278 1.00 23.58 N
ATOM 236 CA ALA A 34 41.934 12.233 26.551 1.00 19.92 C
ATOM 237 C ALA A 34 41.477 10.789 26.710 1.00 19.68 C
ATOM 238 O ALA A 34 40.277 10.498 26.760 1.00 21.21 O
ATOM 239 CB ALA A 34 41.172 12.924 25.427 1.00 20.72 C
ATOM 240 N GLY A 35 42.449 9.878 26.743 1.00 21.27 N
ATOM 241 CA GLY A 35 42.147 8.475 26.953 1.00 21.09 C
ATOM 242 C GLY A 35 42.282 7.443 25.858 1.00 23.31 C
ATOM 243 O GLY A 35 42.130 6.259 26.141 1.00 23.07 O
ATOM 244 N ALA A 36 42.570 7.847 24.624 1.00 25.61 N
ATOM 245 CA ALA A 36 42.667 6.870 23.538 1.00 25.85 C
ATOM 246 C ALA A 36 44.055 6.277 23.315 1.00 25.35 C
ATOM 247 O ALA A 36 45.067 6.923 23.601 1.00 26.31 O
ATOM 248 CB ALA A 36 42.153 7.485 22.226 1.00 22.48 C
ATOM 249 N SER A 37 44.078 5.023 22.863 1.00 25.66 N
ATOM 250 CA SER A 37 45.316 4.331 22.492 1.00 27.50 C
ATOM 251 C SER A 37 45.502 4.808 21.048 1.00 25.98 C
ATOM 252 O SER A 37 44.575 4.731 20.242 1.00 25.26 O
ATOM 253 CB SER A 37 45.145 2.804 22.509 1.00 28.61 C
ATOM 254 OG SER A 37 45.038 2.305 23.829 1.00 33.00 O
ATOM 255 N VAL A 38 46.690 5.268 20.710 1.00 26.33 N
ATOM 256 CA VAL A 38 46.907 5.818 19.385 1.00 28.14 C
ATOM 257 C VAL A 38 47.962 5.146 18.514 1.00 28.54 C
ATOM 258 O VAL A 38 48.959 4.623 19.021 1.00 28.03 O
ATOM 259 CB VAL A 38 47.245 7.332 19.529 1.00 27.89 C
ATOM 260 CG1 VAL A 38 47.744 7.908 18.236 1.00 31.19 C
ATOM 261 CG2 VAL A 38 46.018 8.093 19.988 1.00 26.78 C
ATOM 262 N VAL A 39 47.661 5.035 17.218 1.00 28.16 N
ATOM 263 CA VAL A 39 48.635 4.539 16.254 1.00 26.21 C
ATOM 264 C VAL A 39 48.975 5.794 15.470 1.00 26.68 C
ATOM 265 O VAL A 39 48.099 6.433 14.881 1.00 25.90 O
ATOM 266 CB VAL A 39 48.122 3.469 15.280 1.00 24.30 C
ATOM 267 CG1 VAL A 39 49.122 3.311 14.139 1.00 24.31 C
ATOM 268 CG2 VAL A 39 48.007 2.143 15.980 1.00 25.49 C
ATOM 269 N VAL A 40 50.236 6.189 15.584 1.00 27.98 N
ATOM 270 CA VAL A 40 50.805 7.360 14.936 1.00 30.12 C
ATOM 271 C VAL A 40 51.457 6.938 13.612 1.00 30.95 C
ATOM 272 O VAL A 40 52.467 6.232 13.621 1.00 31.47 O
ATOM 273 CB VAL A 40 51.894 7.985 15.864 1.00 30.60 C
ATOM 274 CG1 VAL A 40 52.694 9.034 15.143 1.00 31.66 C
ATOM 275 CG2 VAL A 40 51.250 8.583 17.089 1.00 32.15 C
ATOM 276 N SER A 41 50.852 7.292 12.482 1.00 29.63 N
ATOM 277 CA SER A 41 51.465 6.951 11.207 1.00 29.97 C
ATOM 278 C SER A 41 51.985 8.214 10.527 1.00 29.06 C
ATOM 279 O SER A 41 51.460 9.311 10.743 1.00 30.34 O
ATOM 280 CB SER A 41 50.530 6.132 10.294 1.00 31.71 C
ATOM 281 OG SER A 41 49.323 6.805 9.976 1.00 38.60 O
ATOM 282 N ASP A 42 53.089 8.070 9.807 1.00 27.03 N
ATOM 283 CA ASP A 42 53.707 9.178 9.108 1.00 26.87 C
ATOM 284 C ASP A 42 54.703 8.562 8.154 1.00 29.66 C
ATOM 285 O ASP A 42 55.141 7.426 8.337 1.00 28.89 O
ATOM 286 CB ASP A 42 54.435 10.097 10.084 1.00 22.88 C
ATOM 287 CG ASP A 42 54.649 11.475 9.536 1.00 23.49 C
ATOM 288 OD1 ASP A 42 55.626 11.699 8.811 1.00 25.77 O
ATOM 289 OD2 ASP A 42 53.850 12.375 9.833 1.00 22.84 O
ATOM 290 N ILE A 43 55.007 9.297 7.096 1.00 32.22 N
ATOM 291 CA ILE A 43 55.962 8.844 6.105 1.00 34.71 C
ATOM 292 C ILE A 43 57.367 9.008 6.700 1.00 36.02 C
ATOM 293 O ILE A 43 58.282 8.250 6.393 1.00 37.35 O
ATOM 294 CB ILE A 43 55.777 9.647 4.792 1.00 35.29 C
ATOM 295 CG1 ILE A 43 56.385 8.898 3.620 1.00 36.61 C
ATOM 296 CG2 ILE A 43 56.324 11.063 4.926 1.00 33.94 C
ATOM 297 CD1 ILE A 43 56.094 9.555 2.291 1.00 40.78 C
ATOM 298 N ASN A 44 57.505 9.974 7.601 1.00 37.48 N
ATOM 299 CA ASN A 44 58.765 10.249 8.279 1.00 39.95 C
ATOM 300 C ASN A 44 58.824 9.464 9.595 1.00 40.91 C
ATOM 301 O ASN A 44 58.299 9.908 10.620 1.00 39.81 O
ATOM 302 CB ASN A 44 58.898 11.748 8.553 1.00 41.07 C
ATOM 303 CG ASN A 44 60.206 12.108 9.303 1.00 44.74 C
ATOM 304 OD1 ASN A 44 60.849 11.249 9.922 1.00 45.55 O
ATOM 305 ND2 ASN A 44 60.575 13.386 9.260 1.00 44.46 N
ATOM 306 N ALA A 45 59.497 8.318 9.558 1.00 42.64 N
ATOM 307 CA ALA A 45 59.630 7.438 10.717 1.00 44.85 C
ATOM 308 C ALA A 45 60.160 8.092 11.992 1.00 44.70 C
ATOM 309 O ALA A 45 59.660 7.817 13.086 1.00 44.09 O
ATOM 310 CB ALA A 45 60.487 6.233 10.358 1.00 46.76 C
ATOM 311 N ASP A 46 61.163 8.955 11.855 1.00 44.53 N
ATOM 312 CA ASP A 46 61.749 9.619 13.012 1.00 44.52 C
ATOM 313 C ASP A 46 60.746 10.473 13.735 1.00 42.68 C
ATOM 314 O ASP A 46 60.731 10.505 14.964 1.00 43.42 O
ATOM 315 CB ASP A 46 62.946 10.473 12.613 1.00 47.74 C
ATOM 316 CG ASP A 46 64.151 9.641 12.227 1.00 53.49 C
ATOM 317 OD1 ASP A 46 64.203 8.436 12.578 1.00 54.13 O
ATOM 318 OD2 ASP A 46 65.055 10.198 11.568 1.00 58.00 O
ATOM 319 N ALA A 47 59.909 11.163 12.970 1.00 40.07 N
ATOM 320 CA ALA A 47 58.888 12.021 13.542 1.00 36.06 C
ATOM 321 C ALA A 47 57.843 11.173 14.240 1.00 33.25 C
ATOM 322 O ALA A 47 57.414 11.505 15.335 1.00 30.88 O
ATOM 323 CB ALA A 47 58.242 12.872 12.463 1.00 38.36 C
ATOM 324 N ALA A 48 57.459 10.062 13.624 1.00 31.96 N
ATOM 325 CA ALA A 48 56.454 9.183 14.217 1.00 34.14 C
ATOM 326 C ALA A 48 56.941 8.653 15.568 1.00 35.74 C
ATOM 327 O ALA A 48 56.214 8.702 16.557 1.00 34.73 O
ATOM 328 CB ALA A 48 56.109 8.029 13.272 1.00 31.12 C
ATOM 329 N ASN A 49 58.188 8.197 15.617 1.00 37.95 N
ATOM 330 CA ASN A 49 58.765 7.672 16.852 1.00 39.15 C
ATOM 331 C ASN A 49 58.842 8.715 17.952 1.00 39.75 C
ATOM 332 O ASN A 49 58.518 8.433 19.112 1.00 39.99 O
ATOM 333 CB ASN A 49 60.140 7.076 16.590 1.00 40.79 C
ATOM 334 CG ASN A 49 60.059 5.732 15.960 1.00 42.54 C
ATOM 335 OD1 ASN A 49 59.062 5.028 16.111 1.00 42.88 O
ATOM 336 ND2 ASN A 49 61.101 5.352 15.234 1.00 46.64 N
ATOM 337 N HIS A 50 59.257 9.922 17.590 1.00 39.96 N
ATOM 338 CA HIS A 50 59.344 11.013 18.547 1.00 42.27 C
ATOM 339 C HIS A 50 57.978 11.274 19.205 1.00 40.83 C
ATOM 340 O HIS A 50 57.877 11.406 20.429 1.00 40.08 O
ATOM 341 CB HIS A 50 59.850 12.281 17.855 1.00 49.09 C
ATOM 342 CG HIS A 50 59.511 13.541 18.587 1.00 59.01 C
ATOM 343 ND1 HIS A 50 60.352 14.109 19.523 1.00 64.06 N
ATOM 344 CD2 HIS A 50 58.406 14.327 18.549 1.00 63.19 C
ATOM 345 CE1 HIS A 50 59.778 15.186 20.030 1.00 66.60 C
ATOM 346 NE2 HIS A 50 58.596 15.341 19.456 1.00 66.68 N
ATOM 347 N VAL A 51 56.940 11.393 18.386 1.00 37.74 N
ATOM 348 CA VAL A 51 55.605 11.637 18.897 1.00 33.96 C
ATOM 349 C VAL A 51 55.217 10.506 19.841 1.00 33.33 C
ATOM 350 O VAL A 51 54.706 10.753 20.928 1.00 32.55 O
ATOM 351 CB VAL A 51 54.586 11.799 17.740 1.00 32.81 C
ATOM 352 CG1 VAL A 51 53.162 11.875 18.267 1.00 29.14 C
ATOM 353 CG2 VAL A 51 54.901 13.069 16.979 1.00 30.91 C
ATOM 354 N VAL A 52 55.525 9.274 19.465 1.00 32.79 N
ATOM 355 CA VAL A 52 55.199 8.144 20.313 1.00 35.09 C
ATOM 356 C VAL A 52 55.867 8.270 21.686 1.00 37.23 C
ATOM 357 O VAL A 52 55.244 7.977 22.704 1.00 37.37 O
ATOM 358 CB VAL A 52 55.556 6.804 19.643 1.00 35.32 C
ATOM 359 CG1 VAL A 52 55.391 5.652 20.627 1.00 34.40 C
ATOM 360 CG2 VAL A 52 54.647 6.575 18.448 1.00 34.72 C
ATOM 361 N ASP A 53 57.103 8.758 21.723 1.00 38.91 N
ATOM 362 CA ASP A 53 57.807 8.932 22.995 1.00 42.82 C
ATOM 363 C ASP A 53 57.134 10.002 23.825 1.00 42.75 C
ATOM 364 O ASP A 53 56.871 9.797 25.009 1.00 42.25 O
ATOM 365 CB ASP A 53 59.272 9.306 22.775 1.00 46.67 C
ATOM 366 CG ASP A 53 60.052 8.205 22.065 1.00 53.51 C
ATOM 367 OD1 ASP A 53 59.587 7.031 22.062 1.00 55.76 O
ATOM 368 OD2 ASP A 53 61.126 8.522 21.501 1.00 56.23 O
ATOM 369 N GLU A 54 56.839 11.133 23.195 1.00 42.47 N
ATOM 370 CA GLU A 54 56.173 12.237 23.870 1.00 42.72 C
ATOM 371 C GLU A 54 54.873 11.779 24.532 1.00 41.04 C
ATOM 372 O GLU A 54 54.517 12.242 25.617 1.00 40.76 O
ATOM 373 CB GLU A 54 55.828 13.330 22.871 1.00 45.43 C
ATOM 374 CG GLU A 54 56.907 14.330 22.607 1.00 52.19 C
ATOM 375 CD GLU A 54 56.318 15.737 22.380 1.00 57.24 C
ATOM 376 OE1 GLU A 54 55.407 16.125 23.157 1.00 59.34 O
ATOM 377 OE2 GLU A 54 56.762 16.440 21.437 1.00 58.72 O
ATOM 378 N ILE A 55 54.151 10.897 23.851 1.00 38.23 N
ATOM 379 CA ILE A 55 52.887 10.390 24.356 1.00 36.95 C
ATOM 380 C ILE A 55 53.104 9.464 25.540 1.00 39.29 C
ATOM 381 O ILE A 55 52.478 9.640 26.582 1.00 39.88 O
ATOM 382 CB ILE A 55 52.066 9.704 23.233 1.00 33.06 C
ATOM 383 CG1 ILE A 55 51.457 10.782 22.326 1.00 31.25 C
ATOM 384 CG2 ILE A 55 50.981 8.812 23.810 1.00 27.03 C
ATOM 385 CD1 ILE A 55 50.808 10.251 21.063 1.00 27.44 C
ATOM 386 N GLN A 56 54.005 8.502 25.397 1.00 40.49 N
ATOM 387 CA GLN A 56 54.285 7.574 26.484 1.00 43.52 C
ATOM 388 C GLN A 56 54.716 8.296 27.753 1.00 44.35 C
ATOM 389 O GLN A 56 54.306 7.925 28.848 1.00 44.50 O
ATOM 390 CB GLN A 56 55.363 6.596 26.075 1.00 44.57 C
ATOM 391 CG GLN A 56 54.929 5.633 25.017 1.00 49.72 C
ATOM 392 CD GLN A 56 56.045 4.693 24.626 1.00 54.76 C
ATOM 393 OE1 GLN A 56 55.793 3.576 24.169 1.00 57.57 O
ATOM 394 NE2 GLN A 56 57.297 5.131 24.814 1.00 56.72 N
ATOM 395 N GLN A 57 55.549 9.319 27.605 1.00 45.52 N
ATOM 396 CA GLN A 57 56.014 10.096 28.747 1.00 49.34 C
ATOM 397 C GLN A 57 54.821 10.764 29.425 1.00 49.37 C
ATOM 398 O GLN A 57 54.774 10.889 30.645 1.00 50.49 O
ATOM 399 CB GLN A 57 57.034 11.141 28.300 1.00 52.65 C
ATOM 400 CG GLN A 57 58.342 10.532 27.809 1.00 62.38 C
ATOM 401 CD GLN A 57 59.263 11.558 27.094 1.00 68.87 C
ATOM 402 OE1 GLN A 57 59.378 12.713 27.518 1.00 72.75 O
ATOM 403 NE2 GLN A 57 59.915 11.122 26.011 1.00 71.64 N
ATOM 404 N LEU A 58 53.848 11.173 28.620 1.00 48.91 N
ATOM 405 CA LEU A 58 52.631 11.797 29.121 1.00 47.29 C
ATOM 406 C LEU A 58 51.746 10.710 29.739 1.00 45.95 C
ATOM 407 O LEU A 58 50.636 10.981 30.195 1.00 45.71 O
ATOM 408 CB LEU A 58 51.888 12.484 27.968 1.00 49.54 C
ATOM 409 CG LEU A 58 52.164 13.960 27.644 1.00 53.31 C
ATOM 410 CD1 LEU A 58 53.645 14.299 27.750 1.00 56.57 C
ATOM 411 CD2 LEU A 58 51.627 14.298 26.253 1.00 53.74 C
ATOM 412 N GLY A 59 52.248 9.479 29.740 1.00 44.08 N
ATOM 413 CA GLY A 59 51.502 8.361 30.283 1.00 46.08 C
ATOM 414 C GLY A 59 50.478 7.810 29.306 1.00 46.79 C
ATOM 415 O GLY A 59 49.484 7.205 29.716 1.00 47.17 O
ATOM 416 N GLY A 60 50.727 8.004 28.012 1.00 46.78 N
ATOM 417 CA GLY A 60 49.808 7.530 26.994 1.00 45.08 C
ATOM 418 C GLY A 60 50.223 6.219 26.368 1.00 44.47 C
ATOM 419 O GLY A 60 51.362 5.769 26.520 1.00 43.78 O
ATOM 420 N GLN A 61 49.299 5.641 25.613 1.00 45.23 N
ATOM 421 CA GLN A 61 49.498 4.365 24.927 1.00 45.93 C
ATOM 422 C GLN A 61 49.582 4.636 23.406 1.00 43.44 C
ATOM 423 O GLN A 61 48.606 5.065 22.798 1.00 41.14 O
ATOM 424 CB GLN A 61 48.298 3.474 25.260 1.00 50.84 C
ATOM 425 CG GLN A 61 48.628 2.052 25.624 1.00 60.67 C
ATOM 426 CD GLN A 61 48.956 1.240 24.429 1.00 66.71 C
ATOM 427 OE1 GLN A 61 50.104 1.227 23.970 1.00 70.25 O
ATOM 428 NE2 GLN A 61 47.947 0.562 23.877 1.00 69.17 N
ATOM 429 N ALA A 62 50.729 4.376 22.789 1.00 42.12 N
ATOM 430 CA ALA A 62 50.882 4.653 21.364 1.00 41.93 C
ATOM 431 C ALA A 62 51.883 3.760 20.642 1.00 43.07 C
ATOM 432 O ALA A 62 52.792 3.210 21.255 1.00 43.49 O
ATOM 433 CB ALA A 62 51.263 6.116 21.165 1.00 38.32 C
ATOM 434 N PHE A 63 51.707 3.636 19.327 1.00 43.40 N
ATOM 435 CA PHE A 63 52.579 2.831 18.468 1.00 42.68 C
ATOM 436 C PHE A 63 52.860 3.613 17.183 1.00 42.87 C
ATOM 437 O PHE A 63 52.044 4.428 16.760 1.00 41.31 O
ATOM 438 CB PHE A 63 51.901 1.514 18.122 1.00 42.44 C
ATOM 439 CG PHE A 63 51.332 0.812 19.308 1.00 45.85 C
ATOM 440 CD1 PHE A 63 50.092 1.189 19.825 1.00 48.38 C
ATOM 441 CD2 PHE A 63 52.031 -0.217 19.922 1.00 47.33 C
ATOM 442 CE1 PHE A 63 49.556 0.552 20.937 1.00 48.47 C
ATOM 443 CE2 PHE A 63 51.507 -0.866 21.038 1.00 48.21 C
ATOM 444 CZ PHE A 63 50.267 -0.481 21.546 1.00 49.10 C
ATOM 445 N ALA A 64 54.010 3.375 16.567 1.00 43.55 N
ATOM 446 CA ALA A 64 54.367 4.085 15.344 1.00 44.45 C
ATOM 447 C ALA A 64 54.273 3.204 14.109 1.00 45.15 C
ATOM 448 O ALA A 64 54.504 1.998 14.169 1.00 43.36 O
ATOM 449 CB ALA A 64 55.759 4.674 15.460 1.00 45.08 C
ATOM 450 N CYS A 65 53.943 3.822 12.984 1.00 47.42 N
ATOM 451 CA CYS A 65 53.816 3.103 11.726 1.00 49.84 C
ATOM 452 C CYS A 65 54.270 3.985 10.569 1.00 49.94 C
ATOM 453 O CYS A 65 53.693 5.041 10.326 1.00 49.51 O
ATOM 454 CB CYS A 65 52.365 2.676 11.513 1.00 50.40 C
ATOM 455 SG CYS A 65 52.144 1.544 10.137 1.00 53.76 S
ATOM 456 N ARG A 66 55.346 3.583 9.899 1.00 51.20 N
ATOM 457 CA ARG A 66 55.857 4.336 8.763 1.00 52.63 C
ATOM 458 C ARG A 66 54.971 3.976 7.571 1.00 50.91 C
ATOM 459 O ARG A 66 55.198 2.970 6.893 1.00 52.10 O
ATOM 460 CB ARG A 66 57.330 3.985 8.504 1.00 56.93 C
ATOM 461 CG ARG A 66 57.993 4.766 7.363 1.00 64.91 C
ATOM 462 CD ARG A 66 57.894 4.013 6.030 1.00 71.23 C
ATOM 463 NE ARG A 66 58.287 4.831 4.882 1.00 75.74 N
ATOM 464 CZ ARG A 66 57.441 5.269 3.950 1.00 77.56 C
ATOM 465 NH1 ARG A 66 56.149 4.976 4.025 1.00 78.38 N
ATOM 466 NH2 ARG A 66 57.887 6.005 2.939 1.00 79.43 N
ATOM 467 N CYS A 67 53.918 4.762 7.376 1.00 47.36 N
ATOM 468 CA CYS A 67 52.978 4.541 6.290 1.00 43.88 C
ATOM 469 C CYS A 67 52.919 5.719 5.352 1.00 41.04 C
ATOM 470 O CYS A 67 52.881 6.876 5.779 1.00 40.44 O
ATOM 471 CB CYS A 67 51.563 4.284 6.822 1.00 46.89 C
ATOM 472 SG CYS A 67 50.230 4.417 5.552 1.00 53.78 S
ATOM 473 N ASP A 68 52.941 5.419 4.062 1.00 36.24 N
ATOM 474 CA ASP A 68 52.824 6.445 3.054 1.00 31.95 C
ATOM 475 C ASP A 68 51.379 6.253 2.653 1.00 28.02 C
ATOM 476 O ASP A 68 51.004 5.173 2.210 1.00 26.80 O
ATOM 477 CB ASP A 68 53.740 6.137 1.879 1.00 34.45 C
ATOM 478 CG ASP A 68 53.758 7.231 0.859 1.00 36.45 C
ATOM 479 OD1 ASP A 68 52.830 8.063 0.838 1.00 36.06 O
ATOM 480 OD2 ASP A 68 54.712 7.268 0.062 1.00 40.88 O
ATOM 481 N ILE A 69 50.553 7.265 2.861 1.00 26.23 N
ATOM 482 CA ILE A 69 49.138 7.146 2.514 1.00 29.03 C
ATOM 483 C ILE A 69 48.880 6.965 1.011 1.00 30.86 C
ATOM 484 O ILE A 69 47.857 6.420 0.622 1.00 30.58 O
ATOM 485 CB ILE A 69 48.299 8.351 3.033 1.00 28.18 C
ATOM 486 CG1 ILE A 69 48.818 9.671 2.443 1.00 27.24 C
ATOM 487 CG2 ILE A 69 48.338 8.387 4.547 1.00 25.54 C
ATOM 488 CD1 ILE A 69 47.829 10.822 2.489 1.00 26.03 C
ATOM 489 N THR A 70 49.809 7.416 0.171 1.00 32.19 N
ATOM 490 CA THR A 70 49.639 7.294 -1.272 1.00 33.68 C
ATOM 491 C THR A 70 49.928 5.886 -1.827 1.00 35.66 C
ATOM 492 O THR A 70 49.990 5.700 -3.045 1.00 37.38 O
ATOM 493 CB THR A 70 50.451 8.383 -2.052 1.00 31.63 C
ATOM 494 OG1 THR A 70 51.856 8.175 -1.884 1.00 29.08 O
ATOM 495 CG2 THR A 70 50.093 9.777 -1.562 1.00 28.47 C
ATOM 496 N SER A 71 50.091 4.896 -0.947 1.00 36.21 N
ATOM 497 CA SER A 71 50.343 3.518 -1.380 1.00 36.16 C
ATOM 498 C SER A 71 49.241 2.599 -0.878 1.00 36.27 C
ATOM 499 O SER A 71 49.057 2.462 0.331 1.00 37.95 O
ATOM 500 CB SER A 71 51.690 3.014 -0.853 1.00 35.58 C
ATOM 501 OG SER A 71 51.849 1.622 -1.097 1.00 36.58 O
ATOM 502 N GLU A 72 48.523 1.956 -1.796 1.00 36.04 N
ATOM 503 CA GLU A 72 47.454 1.046 -1.413 1.00 38.69 C
ATOM 504 C GLU A 72 47.983 -0.041 -0.499 1.00 39.61 C
ATOM 505 O GLU A 72 47.329 -0.431 0.465 1.00 38.94 O
ATOM 506 CB GLU A 72 46.834 0.375 -2.633 1.00 39.85 C
ATOM 507 CG GLU A 72 45.880 1.239 -3.428 1.00 46.71 C
ATOM 508 CD GLU A 72 45.138 0.441 -4.526 1.00 51.51 C
ATOM 509 OE1 GLU A 72 45.071 -0.810 -4.430 1.00 54.78 O
ATOM 510 OE2 GLU A 72 44.626 1.071 -5.476 1.00 52.70 O
ATOM 511 N GLN A 73 49.189 -0.502 -0.793 1.00 40.49 N
ATOM 512 CA GLN A 73 49.817 -1.567 -0.026 1.00 43.23 C
ATOM 513 C GLN A 73 50.156 -1.134 1.392 1.00 40.93 C
ATOM 514 O GLN A 73 49.968 -1.897 2.335 1.00 40.17 O
ATOM 515 CB GLN A 73 51.074 -2.070 -0.734 1.00 50.19 C
ATOM 516 CG GLN A 73 50.836 -2.556 -2.167 1.00 61.60 C
ATOM 517 CD GLN A 73 50.470 -1.396 -3.164 1.00 68.34 C
ATOM 518 OE1 GLN A 73 50.976 -0.267 -3.044 1.00 71.49 O
ATOM 519 NE2 GLN A 73 49.574 -1.686 -4.113 1.00 70.87 N
ATOM 520 N GLU A 74 50.672 0.078 1.546 1.00 38.05 N
ATOM 521 CA GLU A 74 51.006 0.566 2.871 1.00 36.62 C
ATOM 522 C GLU A 74 49.763 0.941 3.668 1.00 34.81 C
ATOM 523 O GLU A 74 49.789 0.952 4.894 1.00 34.63 O
ATOM 524 CB GLU A 74 51.982 1.730 2.791 1.00 37.38 C
ATOM 525 CG GLU A 74 53.342 1.292 2.303 1.00 44.53 C
ATOM 526 CD GLU A 74 54.465 2.219 2.733 1.00 48.87 C
ATOM 527 OE1 GLU A 74 54.388 2.797 3.839 1.00 52.47 O
ATOM 528 OE2 GLU A 74 55.442 2.352 1.969 1.00 53.22 O
ATOM 529 N LEU A 75 48.663 1.217 2.981 1.00 32.93 N
ATOM 530 CA LEU A 75 47.434 1.557 3.678 1.00 31.96 C
ATOM 531 C LEU A 75 46.834 0.314 4.332 1.00 31.72 C
ATOM 532 O LEU A 75 46.411 0.362 5.494 1.00 31.01 O
ATOM 533 CB LEU A 75 46.412 2.209 2.738 1.00 29.95 C
ATOM 534 CG LEU A 75 46.660 3.640 2.247 1.00 29.54 C
ATOM 535 CD1 LEU A 75 45.606 3.985 1.209 1.00 29.35 C
ATOM 536 CD2 LEU A 75 46.614 4.632 3.386 1.00 27.57 C
ATOM 537 N SER A 76 46.797 -0.806 3.617 1.00 29.51 N
ATOM 538 CA SER A 76 46.230 -2.001 4.226 1.00 30.92 C
ATOM 539 C SER A 76 47.186 -2.532 5.296 1.00 29.37 C
ATOM 540 O SER A 76 46.771 -3.209 6.234 1.00 29.47 O
ATOM 541 CB SER A 76 45.909 -3.069 3.186 1.00 29.63 C
ATOM 542 OG SER A 76 47.088 -3.478 2.543 1.00 35.64 O
ATOM 543 N ALA A 77 48.466 -2.212 5.156 1.00 28.90 N
ATOM 544 CA ALA A 77 49.461 -2.624 6.133 1.00 29.70 C
ATOM 545 C ALA A 77 49.174 -1.860 7.421 1.00 30.34 C
ATOM 546 O ALA A 77 49.211 -2.440 8.508 1.00 31.39 O
ATOM 547 CB ALA A 77 50.872 -2.304 5.638 1.00 30.29 C
ATOM 548 N LEU A 78 48.893 -0.562 7.281 1.00 29.55 N
ATOM 549 CA LEU A 78 48.583 0.330 8.399 1.00 29.00 C
ATOM 550 C LEU A 78 47.372 -0.238 9.084 1.00 29.36 C
ATOM 551 O LEU A 78 47.339 -0.338 10.310 1.00 30.92 O
ATOM 552 CB LEU A 78 48.233 1.737 7.895 1.00 28.94 C
ATOM 553 CG LEU A 78 48.393 3.014 8.737 1.00 28.96 C
ATOM 554 CD1 LEU A 78 47.311 3.994 8.341 1.00 26.21 C
ATOM 555 CD2 LEU A 78 48.319 2.748 10.215 1.00 27.00 C
ATOM 556 N ALA A 79 46.380 -0.618 8.285 1.00 28.78 N
ATOM 557 CA ALA A 79 45.149 -1.183 8.822 1.00 30.88 C
ATOM 558 C ALA A 79 45.447 -2.450 9.629 1.00 32.15 C
ATOM 559 O ALA A 79 45.032 -2.571 10.780 1.00 31.81 O
ATOM 560 CB ALA A 79 44.143 -1.463 7.705 1.00 27.49 C
ATOM 561 N ASP A 80 46.224 -3.359 9.056 1.00 32.87 N
ATOM 562 CA ASP A 80 46.561 -4.593 9.747 1.00 35.13 C
ATOM 563 C ASP A 80 47.337 -4.368 11.033 1.00 34.15 C
ATOM 564 O ASP A 80 47.044 -4.979 12.055 1.00 34.32 O
ATOM 565 CB ASP A 80 47.341 -5.526 8.827 1.00 39.72 C
ATOM 566 CG ASP A 80 46.457 -6.173 7.772 1.00 45.74 C
ATOM 567 OD1 ASP A 80 45.212 -6.157 7.934 1.00 46.66 O
ATOM 568 OD2 ASP A 80 47.013 -6.700 6.780 1.00 51.31 O
ATOM 569 N PHE A 81 48.321 -3.482 10.976 1.00 33.56 N
ATOM 570 CA PHE A 81 49.156 -3.164 12.124 1.00 32.93 C
ATOM 571 C PHE A 81 48.333 -2.591 13.282 1.00 33.54 C
ATOM 572 O PHE A 81 48.508 -2.995 14.432 1.00 35.34 O
ATOM 573 CB PHE A 81 50.242 -2.188 11.685 1.00 32.59 C
ATOM 574 CG PHE A 81 51.014 -1.582 12.810 1.00 35.16 C
ATOM 575 CD1 PHE A 81 52.043 -2.284 13.424 1.00 35.61 C
ATOM 576 CD2 PHE A 81 50.744 -0.285 13.233 1.00 35.68 C
ATOM 577 CE1 PHE A 81 52.798 -1.700 14.446 1.00 35.10 C
ATOM 578 CE2 PHE A 81 51.492 0.307 14.253 1.00 37.58 C
ATOM 579 CZ PHE A 81 52.521 -0.403 14.859 1.00 35.93 C
ATOM 580 N ALA A 82 47.422 -1.672 12.977 1.00 31.23 N
ATOM 581 CA ALA A 82 46.592 -1.058 14.002 1.00 31.47 C
ATOM 582 C ALA A 82 45.661 -2.044 14.707 1.00 32.60 C
ATOM 583 O ALA A 82 45.547 -2.023 15.930 1.00 32.70 O
ATOM 584 CB ALA A 82 45.804 0.090 13.419 1.00 31.04 C
ATOM 585 N ILE A 83 44.974 -2.890 13.950 1.00 32.70 N
ATOM 586 CA ILE A 83 44.087 -3.862 14.570 1.00 35.27 C
ATOM 587 C ILE A 83 44.895 -4.873 15.389 1.00 36.22 C
ATOM 588 O ILE A 83 44.394 -5.414 16.365 1.00 35.92 O
ATOM 589 CB ILE A 83 43.208 -4.606 13.528 1.00 35.51 C
ATOM 590 CG1 ILE A 83 42.070 -3.711 13.056 1.00 38.32 C
ATOM 591 CG2 ILE A 83 42.565 -5.835 14.131 1.00 36.38 C
ATOM 592 CD1 ILE A 83 42.473 -2.631 12.090 1.00 41.24 C
ATOM 593 N SER A 84 46.144 -5.120 15.015 1.00 37.80 N
ATOM 594 CA SER A 84 46.959 -6.077 15.761 1.00 40.04 C
ATOM 595 C SER A 84 47.496 -5.462 17.056 1.00 40.13 C
ATOM 596 O SER A 84 47.512 -6.118 18.104 1.00 41.73 O
ATOM 597 CB SER A 84 48.119 -6.618 14.904 1.00 40.36 C
ATOM 598 OG SER A 84 49.185 -5.684 14.772 1.00 42.79 O
ATOM 599 N LYS A 85 47.961 -4.219 16.965 1.00 38.61 N
ATOM 600 CA LYS A 85 48.496 -3.507 18.113 1.00 37.74 C
ATOM 601 C LYS A 85 47.404 -3.016 19.057 1.00 37.43 C
ATOM 602 O LYS A 85 47.467 -3.252 20.259 1.00 38.50 O
ATOM 603 CB LYS A 85 49.353 -2.333 17.652 1.00 39.30 C
ATOM 604 CG LYS A 85 50.825 -2.654 17.563 1.00 44.63 C
ATOM 605 CD LYS A 85 51.054 -3.954 16.814 1.00 50.08 C
ATOM 606 CE LYS A 85 52.529 -4.342 16.770 1.00 53.25 C
ATOM 607 NZ LYS A 85 53.124 -4.485 18.124 1.00 56.31 N
ATOM 608 N LEU A 86 46.394 -2.350 18.511 1.00 35.60 N
ATOM 609 CA LEU A 86 45.301 -1.815 19.316 1.00 34.57 C
ATOM 610 C LEU A 86 44.205 -2.817 19.693 1.00 33.25 C
ATOM 611 O LEU A 86 43.531 -2.666 20.719 1.00 34.21 O
ATOM 612 CB LEU A 86 44.675 -0.622 18.602 1.00 34.76 C
ATOM 613 CG LEU A 86 45.617 0.529 18.264 1.00 35.22 C
ATOM 614 CD1 LEU A 86 44.813 1.628 17.592 1.00 36.29 C
ATOM 615 CD2 LEU A 86 46.310 1.044 19.506 1.00 33.63 C
ATOM 616 N GLY A 87 44.007 -3.823 18.852 1.00 32.78 N
ATOM 617 CA GLY A 87 42.983 -4.819 19.110 1.00 30.24 C
ATOM 618 C GLY A 87 41.706 -4.530 18.344 1.00 30.04 C
ATOM 619 O GLY A 87 40.954 -5.441 18.001 1.00 32.49 O
ATOM 620 N LYS A 88 41.458 -3.256 18.069 1.00 28.09 N
ATOM 621 CA LYS A 88 40.270 -2.840 17.345 1.00 25.59 C
ATOM 622 C LYS A 88 40.542 -1.423 16.895 1.00 24.79 C
ATOM 623 O LYS A 88 41.572 -0.851 17.248 1.00 26.26 O
ATOM 624 CB LYS A 88 39.048 -2.865 18.276 1.00 25.88 C