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1b8p.pdb
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HEADER OXIDOREDUCTASE 02-FEB-99 1B8P
TITLE MALATE DEHYDROGENASE FROM AQUASPIRILLUM ARCTICUM
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MALATE DEHYDROGENASE;
COMPND 3 CHAIN: A;
COMPND 4 BIOLOGICAL_UNIT: HOMODIMER
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: AQUASPIRILLUM ARCTICUM
KEYWDS DEHYDROGENASE, OXIDOREDUCTASE
EXPDTA X-RAY DIFFRACTION
AUTHOR S.Y.KIM,K.Y.HWANG,S.-H.KIM,Y.S.HAN,Y.CHO
REVDAT 1 09-JUL-99 1B8P 0
JRNL AUTH S.Y.KIM,K.Y.HWANG,S.-H.KIM,H.-C.SUNG,Y.S.HAN,Y.CHO
JRNL TITL STRUCTURAL BASIS FOR COLD ADAPTATION. SEQUENCE,
JRNL TITL 2 BIOCHEMICAL PROPERTIES, AND CRYSTAL STRUCTURE OF
JRNL TITL 3 MALATE DEHYDROGENASE FROM A PSYCHROPHILE
JRNL TITL 4 AQUASPIRILLIUM ARCTICUM.
JRNL REF J.BIOL.CHEM. V. 274 11761 1999
JRNL REFN ASTM JBCHA3 US ISSN 0021-9258 0071
REMARK 1
REMARK 2
REMARK 2 RESOLUTION. 1.90 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) : 1.90
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 8.0
REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000
REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL
REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL
REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 91.2
REMARK 3 NUMBER OF REFLECTIONS : 23657
REMARK 3
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) : 0.175
REMARK 3 FREE R VALUE : 0.178
REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100
REMARK 3 FREE R VALUE TEST SET COUNT : 2388
REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.004
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) : 2.01
REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 83.60
REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3161
REMARK 3 BIN R VALUE (WORKING SET) : 0.2140
REMARK 3 BIN FREE R VALUE : 0.2390
REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.60
REMARK 3 BIN FREE R VALUE TEST SET COUNT : 376
REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.01
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 2461
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 212
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL
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) : 0.17
REMARK 3 ESD FROM SIGMAA (A) : 0.140
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) : NULL
REMARK 3 ESD FROM C-V SIGMAA (A) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 BOND LENGTHS (A) : 0.009
REMARK 3 BOND ANGLES (DEGREES) : 1.40
REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL
REMARK 3 IMPROPER ANGLES (DEGREES) : NULL
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
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 : PARHCSDX.PRO
REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1B8P COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-FEB-1999.
REMARK 100 THE RCSB ID CODE IS RCSB000428.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : NULL
REMARK 200 TEMPERATURE (KELVIN) : 293.0
REMARK 200 PH : 7.00
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : NULL
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : NI FILTER
REMARK 200 OPTICS : MIRRORS
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200 DATA SCALING SOFTWARE : SCALEPACK
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25856
REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900
REMARK 200 RESOLUTION RANGE LOW (A) : 50.000
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8
REMARK 200 DATA REDUNDANCY : 3.800
REMARK 200 R MERGE (I) : 0.08100
REMARK 200 R SYM (I) : 0.05300
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 24.7000
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 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR
REMARK 200 REPLACEMENT
REMARK 200 SOFTWARE USED: X-PLOR
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 47.0
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.30
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -X,-Y,Z
REMARK 290 3555 1/2-X,1/2+Y,-Z
REMARK 290 4555 1/2+X,1/2-Y,-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 0.00000
REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 29.54000
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 51.08500
REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.54000
REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 51.08500
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE
REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT
REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR
REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S).
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
REMARK 350 BIOMT1 1 -1.000000 0.000000 0.000000 59.08000
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 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375 HOH 1 LIES ON A SPECIAL POSITION.
REMARK 375 HOH 2 LIES ON A SPECIAL POSITION.
REMARK 375 HOH 3 LIES ON A SPECIAL POSITION.
REMARK 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465
REMARK 465 M RES C SSSEQI
REMARK 465 MET A 1
REMARK 465 ALA A 2
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 4*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: ENGH AND HUBER, 1991
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 ALA A 13 N - CA - C ANGL. DEV. = 8.7 DEGREES
REMARK 500 GLN A 16 N - CA - C ANGL. DEV. = 6.4 DEGREES
REMARK 500 LEU A 21 N - CA - C ANGL. DEV. = 6.9 DEGREES
REMARK 500 LEU A 22 N - CA - C ANGL. DEV. = 6.4 DEGREES
REMARK 500 MET A 30 N - CA - C ANGL. DEV. = 7.8 DEGREES
REMARK 500 ILE A 38 N - CA - C ANGL. DEV. = -8.3 DEGREES
REMARK 500 GLN A 40 N - CA - C ANGL. DEV. = -9.8 DEGREES
REMARK 500 PRO A 45 N - CA - C ANGL. DEV. = 6.8 DEGREES
REMARK 500 PHE A 81 N - CA - C ANGL. DEV. = 6.3 DEGREES
REMARK 500 PHE A 112 N - CA - C ANGL. DEV. = 7.2 DEGREES
REMARK 500 ALA A 121 N - CA - C ANGL. DEV. = 6.9 DEGREES
REMARK 500 VAL A 122 N - CA - C ANGL. DEV. = 10.8 DEGREES
REMARK 500 ALA A 136 N - CA - C ANGL. DEV. = 8.0 DEGREES
REMARK 500 PRO A 148 N - CA - C ANGL. DEV. = 6.1 DEGREES
REMARK 500 LEU A 167 CA - CB - CG ANGL. DEV. = 8.4 DEGREES
REMARK 500 LYS A 183 N - CA - C ANGL. DEV. = 7.8 DEGREES
REMARK 500 LEU A 184 N - CA - C ANGL. DEV. = -7.6 DEGREES
REMARK 500 TRP A 187 C - CA - CB ANGL. DEV. = -7.1 DEGREES
REMARK 500 TRP A 187 CA - CB - CG ANGL. DEV. = 6.1 DEGREES
REMARK 500 GLY A 188 N - CA - C ANGL. DEV. = 14.3 DEGREES
REMARK 500 HIS A 190 N - CA - C ANGL. DEV. = -8.5 DEGREES
REMARK 500 PRO A 192 C - N - CA ANGL. DEV. = -6.2 DEGREES
REMARK 500 ARG A 199 N - CA - C ANGL. DEV. = 6.5 DEGREES
REMARK 500 ILE A 203 N - CA - C ANGL. DEV. = -6.4 DEGREES
REMARK 500 ARG A 219 N - CA - C ANGL. DEV. = 7.2 DEGREES
REMARK 500 ASP A 220 N - CA - C ANGL. DEV. = 8.2 DEGREES
REMARK 500 ARG A 237 N - CA - C ANGL. DEV. = 5.9 DEGREES
REMARK 500 ALA A 242 N - CA - C ANGL. DEV. = 6.2 DEGREES
REMARK 500 LEU A 258 N - CA - C ANGL. DEV. = 6.2 DEGREES
REMARK 500 GLY A 268 N - CA - C ANGL. DEV. = -8.9 DEGREES
REMARK 500 ILE A 282 N - CA - C ANGL. DEV. = -7.5 DEGREES
REMARK 500 PHE A 285 C - CA - CB ANGL. DEV. = -7.2 DEGREES
REMARK 500 PRO A 286 N - CA - C ANGL. DEV. = -7.7 DEGREES
REMARK 500 THR A 288 N - CA - C ANGL. DEV. =-10.4 DEGREES
REMARK 500 GLY A 299 N - CA - C ANGL. DEV. = 7.6 DEGREES
REMARK 500 THR A 313 C - CA - CB ANGL. DEV. = 6.5 DEGREES
REMARK 500 GLY A 323 N - CA - C ANGL. DEV. = 6.6 DEGREES
REMARK 500 LEU A 327 CA - CB - CG ANGL. DEV. = 6.7 DEGREES
REMARK 525
REMARK 525 SOLVENT
REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED
REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE
REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL
REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 0 HOH 202 DISTANCE = 5.95 ANGSTROMS
DBREF 1B8P A 1 329 GB 4235484 AF109682 1 329
SEQRES 1 A 329 MET ALA LYS THR PRO MET ARG VAL ALA VAL THR GLY ALA
SEQRES 2 A 329 ALA GLY GLN ILE CYS TYR SER LEU LEU PHE ARG ILE ALA
SEQRES 3 A 329 ASN GLY ASP MET LEU GLY LYS ASP GLN PRO VAL ILE LEU
SEQRES 4 A 329 GLN LEU LEU GLU ILE PRO ASN GLU LYS ALA GLN LYS ALA
SEQRES 5 A 329 LEU GLN GLY VAL MET MET GLU ILE ASP ASP CYS ALA PHE
SEQRES 6 A 329 PRO LEU LEU ALA GLY MET THR ALA HIS ALA ASP PRO MET
SEQRES 7 A 329 THR ALA PHE LYS ASP ALA ASP VAL ALA LEU LEU VAL GLY
SEQRES 8 A 329 ALA ARG PRO ARG GLY PRO GLY MET GLU ARG LYS ASP LEU
SEQRES 9 A 329 LEU GLU ALA ASN ALA GLN ILE PHE THR VAL GLN GLY LYS
SEQRES 10 A 329 ALA ILE ASP ALA VAL ALA SER ARG ASN ILE LYS VAL LEU
SEQRES 11 A 329 VAL VAL GLY ASN PRO ALA ASN THR ASN ALA TYR ILE ALA
SEQRES 12 A 329 MET LYS SER ALA PRO SER LEU PRO ALA LYS ASN PHE THR
SEQRES 13 A 329 ALA MET LEU ARG LEU ASP HIS ASN ARG ALA LEU SER GLN
SEQRES 14 A 329 ILE ALA ALA LYS THR GLY LYS PRO VAL SER SER ILE GLU
SEQRES 15 A 329 LYS LEU PHE VAL TRP GLY ASN HIS SER PRO THR MET TYR
SEQRES 16 A 329 ALA ASP TYR ARG TYR ALA GLN ILE ASP GLY ALA SER VAL
SEQRES 17 A 329 LYS ASP MET ILE ASN ASP ASP ALA TRP ASN ARG ASP THR
SEQRES 18 A 329 PHE LEU PRO THR VAL GLY LYS ARG GLY ALA ALA ILE ILE
SEQRES 19 A 329 ASP ALA ARG GLY VAL SER SER ALA ALA SER ALA ALA ASN
SEQRES 20 A 329 ALA ALA ILE ASP HIS ILE HIS ASP TRP VAL LEU GLY THR
SEQRES 21 A 329 ALA GLY LYS TRP THR THR MET GLY ILE PRO SER ASP GLY
SEQRES 22 A 329 SER TYR GLY ILE PRO GLU GLY VAL ILE PHE GLY PHE PRO
SEQRES 23 A 329 VAL THR THR GLU ASN GLY GLU TYR LYS ILE VAL GLN GLY
SEQRES 24 A 329 LEU SER ILE ASP ALA PHE SER GLN GLU ARG ILE ASN VAL
SEQRES 25 A 329 THR LEU ASN GLU LEU LEU GLU GLU GLN ASN GLY VAL GLN
SEQRES 26 A 329 HIS LEU LEU GLY
FORMUL 2 HOH *212(H2 O1)
HELIX 1 1 GLN A 16 ALA A 26 1 11
HELIX 2 2 GLU A 47 CYS A 63 1 17
HELIX 3 3 PRO A 77 ALA A 80 1 4
HELIX 4 4 ARG A 101 VAL A 122 1 22
HELIX 5 5 ALA A 136 LYS A 145 1 10
HELIX 6 6 ALA A 152 ASN A 154 5 3
HELIX 7 7 ARG A 160 THR A 174 1 15
HELIX 8 8 VAL A 178 SER A 180 5 3
HELIX 9 9 VAL A 208 ILE A 212 1 5
HELIX 10 10 ASP A 215 ASP A 220 1 6
HELIX 11 11 PHE A 222 GLY A 227 1 6
HELIX 12 12 ARG A 229 ARG A 237 1 9
HELIX 13 13 ALA A 242 LEU A 258 1 17
HELIX 14 14 SER A 274 GLY A 276 5 3
HELIX 15 15 ALA A 304 LEU A 327 1 24
SHEET 1 A 6 PHE A 155 ALA A 157 0
SHEET 2 A 6 LYS A 128 VAL A 131 1 N VAL A 129 O THR A 156
SHEET 3 A 6 VAL A 86 LEU A 89 1 N ALA A 87 O LYS A 128
SHEET 4 A 6 MET A 6 VAL A 10 1 N ALA A 9 O VAL A 86
SHEET 5 A 6 VAL A 37 LEU A 42 1 N ILE A 38 O MET A 6
SHEET 6 A 6 LEU A 68 HIS A 74 1 N ALA A 69 O VAL A 37
SHEET 1 B 2 PHE A 185 TRP A 187 0
SHEET 2 B 2 TYR A 195 ASP A 197 -1 N ASP A 197 O PHE A 185
SHEET 1 C 3 THR A 265 PRO A 270 0
SHEET 2 C 3 ILE A 282 GLU A 290 -1 N VAL A 287 O THR A 265
SHEET 3 C 3 GLU A 293 ILE A 296 -1 N LYS A 295 O THR A 288
CISPEP 1 ASN A 134 PRO A 135 0 -0.60
CRYST1 59.080 102.170 53.790 90.00 90.00 90.00 P 21 21 2 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 0.016926 0.000000 0.000000 0.00000
SCALE2 0.000000 0.009788 0.000000 0.00000
SCALE3 0.000000 0.000000 0.018591 0.00000
ATOM 1 N LYS A 3 16.902 8.320 58.694 1.00 43.46 N
ATOM 2 CA LYS A 3 16.718 9.793 58.529 1.00 40.97 C
ATOM 3 C LYS A 3 16.071 10.176 57.200 1.00 38.56 C
ATOM 4 O LYS A 3 15.937 9.346 56.298 1.00 40.48 O
ATOM 5 CB LYS A 3 18.041 10.528 58.732 1.00 42.03 C
ATOM 6 CG LYS A 3 19.221 9.964 57.974 1.00 43.11 C
ATOM 7 CD LYS A 3 20.499 10.562 58.535 1.00 45.19 C
ATOM 8 CE LYS A 3 21.724 10.108 57.771 1.00 48.64 C
ATOM 9 NZ LYS A 3 22.961 10.754 58.292 1.00 51.28 N
ATOM 10 N THR A 4 15.621 11.423 57.114 1.00 34.61 N
ATOM 11 CA THR A 4 14.941 11.936 55.924 1.00 31.02 C
ATOM 12 C THR A 4 15.754 11.821 54.625 1.00 25.29 C
ATOM 13 O THR A 4 16.925 12.183 54.576 1.00 22.70 O
ATOM 14 CB THR A 4 14.435 13.388 56.171 1.00 33.19 C
ATOM 15 OG1 THR A 4 13.775 13.875 54.997 1.00 39.31 O
ATOM 16 CG2 THR A 4 15.586 14.322 56.557 1.00 34.38 C
ATOM 17 N PRO A 5 15.135 11.284 53.561 1.00 23.14 N
ATOM 18 CA PRO A 5 15.837 11.129 52.289 1.00 22.43 C
ATOM 19 C PRO A 5 16.287 12.423 51.631 1.00 19.34 C
ATOM 20 O PRO A 5 15.619 13.454 51.721 1.00 20.51 O
ATOM 21 CB PRO A 5 14.820 10.369 51.425 1.00 21.60 C
ATOM 22 CG PRO A 5 13.532 10.800 51.970 1.00 24.51 C
ATOM 23 CD PRO A 5 13.756 10.787 53.451 1.00 23.61 C
ATOM 24 N MET A 6 17.431 12.351 50.966 1.00 16.48 N
ATOM 25 CA MET A 6 17.983 13.488 50.254 1.00 13.63 C
ATOM 26 C MET A 6 17.694 13.312 48.783 1.00 11.09 C
ATOM 27 O MET A 6 17.759 12.199 48.267 1.00 11.83 O
ATOM 28 CB MET A 6 19.487 13.582 50.494 1.00 15.68 C
ATOM 29 CG MET A 6 19.811 14.054 51.903 1.00 19.84 C
ATOM 30 SD MET A 6 21.573 14.169 52.212 1.00 26.78 S
ATOM 31 CE MET A 6 22.074 15.203 50.839 1.00 25.23 C
ATOM 32 N ARG A 7 17.337 14.401 48.108 1.00 10.49 N
ATOM 33 CA ARG A 7 17.034 14.343 46.685 1.00 9.27 C
ATOM 34 C ARG A 7 18.303 14.621 45.910 1.00 9.47 C
ATOM 35 O ARG A 7 18.942 15.656 46.092 1.00 10.98 O
ATOM 36 CB ARG A 7 15.916 15.338 46.342 1.00 12.50 C
ATOM 37 CG ARG A 7 14.711 15.184 47.274 1.00 15.71 C
ATOM 38 CD ARG A 7 13.584 16.140 46.953 1.00 18.15 C
ATOM 39 NE ARG A 7 12.708 15.509 45.988 1.00 27.85 N
ATOM 40 CZ ARG A 7 11.537 14.947 46.275 1.00 25.51 C
ATOM 41 NH1 ARG A 7 11.061 14.952 47.515 1.00 25.98 N
ATOM 42 NH2 ARG A 7 10.906 14.263 45.333 1.00 25.67 N
ATOM 43 N VAL A 8 18.700 13.652 45.098 1.00 8.79 N
ATOM 44 CA VAL A 8 19.912 13.739 44.302 1.00 6.06 C
ATOM 45 C VAL A 8 19.551 13.790 42.846 1.00 5.15 C
ATOM 46 O VAL A 8 18.977 12.848 42.324 1.00 6.62 O
ATOM 47 CB VAL A 8 20.822 12.507 44.557 1.00 7.52 C
ATOM 48 CG1 VAL A 8 22.075 12.579 43.712 1.00 8.32 C
ATOM 49 CG2 VAL A 8 21.167 12.409 46.038 1.00 9.20 C
ATOM 50 N ALA A 9 19.888 14.896 42.191 1.00 4.01 N
ATOM 51 CA ALA A 9 19.614 15.068 40.780 1.00 5.95 C
ATOM 52 C ALA A 9 20.873 14.747 40.002 1.00 6.28 C
ATOM 53 O ALA A 9 21.960 15.199 40.368 1.00 9.28 O
ATOM 54 CB ALA A 9 19.164 16.515 40.497 1.00 8.11 C
ATOM 55 N VAL A 10 20.730 13.985 38.924 1.00 4.61 N
ATOM 56 CA VAL A 10 21.871 13.595 38.103 1.00 7.76 C
ATOM 57 C VAL A 10 21.552 13.764 36.631 1.00 8.30 C
ATOM 58 O VAL A 10 20.495 13.323 36.170 1.00 11.06 O
ATOM 59 CB VAL A 10 22.293 12.114 38.385 1.00 7.80 C
ATOM 60 CG1 VAL A 10 23.588 11.782 37.672 1.00 8.53 C
ATOM 61 CG2 VAL A 10 22.438 11.870 39.878 1.00 7.42 C
ATOM 62 N THR A 11 22.450 14.418 35.894 1.00 6.75 N
ATOM 63 CA THR A 11 22.244 14.639 34.460 1.00 6.96 C
ATOM 64 C THR A 11 22.963 13.591 33.615 1.00 5.03 C
ATOM 65 O THR A 11 23.781 12.845 34.141 1.00 7.68 O
ATOM 66 CB THR A 11 22.669 16.066 34.028 1.00 9.11 C
ATOM 67 OG1 THR A 11 24.090 16.214 34.169 1.00 8.22 O
ATOM 68 CG2 THR A 11 21.967 17.105 34.901 1.00 7.91 C
ATOM 69 N GLY A 12 22.659 13.556 32.315 1.00 5.02 N
ATOM 70 CA GLY A 12 23.235 12.571 31.404 1.00 7.68 C
ATOM 71 C GLY A 12 23.113 11.172 31.996 1.00 10.02 C
ATOM 72 O GLY A 12 24.006 10.325 31.822 1.00 8.36 O
ATOM 73 N ALA A 13 21.961 10.908 32.621 1.00 9.29 N
ATOM 74 CA ALA A 13 21.709 9.648 33.326 1.00 8.08 C
ATOM 75 C ALA A 13 21.708 8.333 32.554 1.00 6.70 C
ATOM 76 O ALA A 13 21.788 7.283 33.173 1.00 8.86 O
ATOM 77 CB ALA A 13 20.464 9.769 34.222 1.00 6.79 C
ATOM 78 N ALA A 14 21.582 8.376 31.232 1.00 6.32 N
ATOM 79 CA ALA A 14 21.615 7.157 30.440 1.00 9.11 C
ATOM 80 C ALA A 14 23.010 6.953 29.847 1.00 11.62 C
ATOM 81 O ALA A 14 23.194 6.078 29.013 1.00 13.56 O
ATOM 82 CB ALA A 14 20.601 7.215 29.331 1.00 8.23 C
ATOM 83 N GLY A 15 23.970 7.800 30.228 1.00 12.75 N
ATOM 84 CA GLY A 15 25.329 7.697 29.711 1.00 10.71 C
ATOM 85 C GLY A 15 26.250 6.768 30.488 1.00 11.26 C
ATOM 86 O GLY A 15 25.900 6.238 31.545 1.00 9.26 O
ATOM 87 N GLN A 16 27.471 6.637 29.992 1.00 11.32 N
ATOM 88 CA GLN A 16 28.457 5.755 30.596 1.00 11.51 C
ATOM 89 C GLN A 16 28.853 6.024 32.033 1.00 9.59 C
ATOM 90 O GLN A 16 28.853 5.117 32.846 1.00 8.58 O
ATOM 91 CB GLN A 16 29.705 5.728 29.731 1.00 20.37 C
ATOM 92 CG GLN A 16 30.068 4.352 29.285 1.00 31.09 C
ATOM 93 CD GLN A 16 28.972 3.735 28.469 1.00 37.41 C
ATOM 94 OE1 GLN A 16 28.307 2.784 28.907 1.00 40.82 O
ATOM 95 NE2 GLN A 16 28.756 4.280 27.272 1.00 40.25 N
ATOM 96 N ILE A 17 29.268 7.251 32.343 1.00 7.52 N
ATOM 97 CA ILE A 17 29.669 7.551 33.714 1.00 6.28 C
ATOM 98 C ILE A 17 28.546 7.228 34.679 1.00 6.61 C
ATOM 99 O ILE A 17 28.758 6.637 35.744 1.00 4.60 O
ATOM 100 CB ILE A 17 30.123 9.039 33.890 1.00 7.74 C
ATOM 101 CG1 ILE A 17 31.422 9.287 33.101 1.00 10.74 C
ATOM 102 CG2 ILE A 17 30.322 9.362 35.380 1.00 5.79 C
ATOM 103 CD1 ILE A 17 31.885 10.737 33.088 1.00 10.53 C
ATOM 104 N CYS A 18 27.336 7.632 34.309 1.00 8.69 N
ATOM 105 CA CYS A 18 26.188 7.371 35.166 1.00 8.46 C
ATOM 106 C CYS A 18 25.909 5.879 35.366 1.00 7.87 C
ATOM 107 O CYS A 18 25.497 5.464 36.454 1.00 7.91 O
ATOM 108 CB CYS A 18 24.948 8.121 34.655 1.00 9.81 C
ATOM 109 SG CYS A 18 24.945 9.848 35.207 1.00 10.55 S
ATOM 110 N TYR A 19 26.159 5.073 34.335 1.00 8.64 N
ATOM 111 CA TYR A 19 25.936 3.634 34.466 1.00 10.56 C
ATOM 112 C TYR A 19 26.803 3.016 35.582 1.00 11.67 C
ATOM 113 O TYR A 19 26.407 2.011 36.173 1.00 10.70 O
ATOM 114 CB TYR A 19 26.136 2.911 33.133 1.00 9.49 C
ATOM 115 CG TYR A 19 25.551 1.517 33.124 1.00 9.72 C
ATOM 116 CD1 TYR A 19 24.169 1.319 33.117 1.00 8.33 C
ATOM 117 CD2 TYR A 19 26.380 0.399 33.149 1.00 8.46 C
ATOM 118 CE1 TYR A 19 23.632 0.045 33.136 1.00 9.61 C
ATOM 119 CE2 TYR A 19 25.852 -0.885 33.168 1.00 9.80 C
ATOM 120 CZ TYR A 19 24.484 -1.053 33.157 1.00 10.54 C
ATOM 121 OH TYR A 19 23.979 -2.323 33.117 1.00 8.39 O
ATOM 122 N SER A 20 27.970 3.612 35.863 1.00 11.14 N
ATOM 123 CA SER A 20 28.829 3.136 36.957 1.00 13.21 C
ATOM 124 C SER A 20 28.508 3.935 38.216 1.00 13.62 C
ATOM 125 O SER A 20 28.797 3.503 39.328 1.00 19.22 O
ATOM 126 CB SER A 20 30.322 3.329 36.640 1.00 12.46 C
ATOM 127 OG SER A 20 30.710 2.729 35.412 1.00 15.67 O
ATOM 128 N LEU A 21 27.927 5.117 38.043 1.00 10.53 N
ATOM 129 CA LEU A 21 27.612 5.990 39.173 1.00 9.88 C
ATOM 130 C LEU A 21 26.312 5.734 39.944 1.00 6.83 C
ATOM 131 O LEU A 21 26.307 5.665 41.178 1.00 7.22 O
ATOM 132 CB LEU A 21 27.632 7.451 38.694 1.00 10.33 C
ATOM 133 CG LEU A 21 27.382 8.583 39.681 1.00 11.24 C
ATOM 134 CD1 LEU A 21 28.521 8.672 40.668 1.00 12.53 C
ATOM 135 CD2 LEU A 21 27.234 9.890 38.910 1.00 13.66 C
ATOM 136 N LEU A 22 25.213 5.605 39.224 1.00 7.66 N
ATOM 137 CA LEU A 22 23.911 5.451 39.876 1.00 8.96 C
ATOM 138 C LEU A 22 23.751 4.305 40.875 1.00 8.06 C
ATOM 139 O LEU A 22 23.157 4.488 41.940 1.00 10.16 O
ATOM 140 CB LEU A 22 22.799 5.424 38.820 1.00 6.98 C
ATOM 141 CG LEU A 22 22.810 6.645 37.892 1.00 7.00 C
ATOM 142 CD1 LEU A 22 21.848 6.476 36.726 1.00 5.34 C
ATOM 143 CD2 LEU A 22 22.502 7.885 38.725 1.00 6.96 C
ATOM 144 N PHE A 23 24.276 3.130 40.536 1.00 7.48 N
ATOM 145 CA PHE A 23 24.162 1.966 41.403 1.00 7.15 C
ATOM 146 C PHE A 23 24.917 2.157 42.711 1.00 8.88 C
ATOM 147 O PHE A 23 24.467 1.708 43.768 1.00 8.20 O
ATOM 148 CB PHE A 23 24.625 0.720 40.649 1.00 6.80 C
ATOM 149 CG PHE A 23 23.868 0.487 39.371 1.00 6.71 C
ATOM 150 CD1 PHE A 23 24.263 1.114 38.190 1.00 6.96 C
ATOM 151 CD2 PHE A 23 22.718 -0.320 39.354 1.00 8.62 C
ATOM 152 CE1 PHE A 23 23.534 0.960 37.004 1.00 7.18 C
ATOM 153 CE2 PHE A 23 21.980 -0.482 38.165 1.00 5.30 C
ATOM 154 CZ PHE A 23 22.392 0.163 36.992 1.00 8.63 C
ATOM 155 N ARG A 24 26.063 2.836 42.649 1.00 10.39 N
ATOM 156 CA ARG A 24 26.829 3.088 43.862 1.00 8.77 C
ATOM 157 C ARG A 24 26.153 4.150 44.736 1.00 8.46 C
ATOM 158 O ARG A 24 26.217 4.078 45.964 1.00 8.41 O
ATOM 159 CB ARG A 24 28.278 3.444 43.529 1.00 11.28 C
ATOM 160 CG ARG A 24 29.059 2.241 42.966 1.00 15.16 C
ATOM 161 CD ARG A 24 30.554 2.492 42.890 1.00 11.92 C
ATOM 162 NE ARG A 24 31.117 2.817 44.199 1.00 11.77 N
ATOM 163 CZ ARG A 24 32.344 3.302 44.391 1.00 11.14 C
ATOM 164 NH1 ARG A 24 33.154 3.515 43.364 1.00 9.65 N
ATOM 165 NH2 ARG A 24 32.740 3.628 45.609 1.00 9.96 N
ATOM 166 N ILE A 25 25.519 5.147 44.120 1.00 7.77 N
ATOM 167 CA ILE A 25 24.806 6.149 44.921 1.00 9.39 C
ATOM 168 C ILE A 25 23.646 5.425 45.651 1.00 7.71 C
ATOM 169 O ILE A 25 23.445 5.600 46.862 1.00 6.51 O
ATOM 170 CB ILE A 25 24.200 7.299 44.044 1.00 9.09 C
ATOM 171 CG1 ILE A 25 25.301 8.107 43.365 1.00 11.04 C
ATOM 172 CG2 ILE A 25 23.356 8.242 44.911 1.00 9.30 C
ATOM 173 CD1 ILE A 25 24.775 9.186 42.403 1.00 11.89 C
ATOM 174 N ALA A 26 22.885 4.626 44.901 1.00 8.76 N
ATOM 175 CA ALA A 26 21.744 3.876 45.462 1.00 10.12 C
ATOM 176 C ALA A 26 22.154 2.861 46.543 1.00 8.52 C
ATOM 177 O ALA A 26 21.373 2.547 47.458 1.00 10.08 O
ATOM 178 CB ALA A 26 20.973 3.190 44.338 1.00 8.85 C
ATOM 179 N ASN A 27 23.400 2.399 46.454 1.00 9.93 N
ATOM 180 CA ASN A 27 23.976 1.445 47.399 1.00 9.07 C
ATOM 181 C ASN A 27 24.391 2.135 48.709 1.00 8.98 C
ATOM 182 O ASN A 27 24.688 1.476 49.705 1.00 10.13 O
ATOM 183 CB ASN A 27 25.177 0.744 46.735 1.00 11.79 C
ATOM 184 CG ASN A 27 25.715 -0.427 47.555 1.00 17.12 C
ATOM 185 OD1 ASN A 27 26.920 -0.509 47.832 1.00 21.71 O
ATOM 186 ND2 ASN A 27 24.832 -1.352 47.923 1.00 13.40 N
ATOM 187 N GLY A 28 24.354 3.465 48.724 1.00 6.87 N
ATOM 188 CA GLY A 28 24.724 4.200 49.910 1.00 6.37 C
ATOM 189 C GLY A 28 26.182 4.640 49.973 1.00 8.32 C
ATOM 190 O GLY A 28 26.618 5.132 51.009 1.00 9.16 O
ATOM 191 N ASP A 29 26.928 4.499 48.881 1.00 8.23 N
ATOM 192 CA ASP A 29 28.338 4.871 48.867 1.00 9.97 C
ATOM 193 C ASP A 29 28.620 6.370 48.992 1.00 13.07 C
ATOM 194 O ASP A 29 29.663 6.764 49.515 1.00 11.93 O
ATOM 195 CB ASP A 29 29.013 4.397 47.571 1.00 12.36 C
ATOM 196 CG ASP A 29 29.186 2.890 47.493 1.00 12.71 C
ATOM 197 OD1 ASP A 29 28.848 2.179 48.462 1.00 15.27 O
ATOM 198 OD2 ASP A 29 29.678 2.427 46.444 1.00 11.59 O
ATOM 199 N MET A 30 27.730 7.201 48.464 1.00 11.12 N
ATOM 200 CA MET A 30 27.960 8.640 48.463 1.00 10.80 C
ATOM 201 C MET A 30 27.587 9.454 49.710 1.00 12.18 C
ATOM 202 O MET A 30 28.365 10.296 50.164 1.00 11.31 O
ATOM 203 CB MET A 30 27.316 9.235 47.209 1.00 11.61 C
ATOM 204 CG MET A 30 27.663 10.683 46.943 1.00 8.80 C
ATOM 205 SD MET A 30 27.014 11.191 45.367 1.00 11.54 S
ATOM 206 CE MET A 30 25.345 11.518 45.813 1.00 15.07 C
ATOM 207 N LEU A 31 26.426 9.176 50.294 1.00 10.32 N
ATOM 208 CA LEU A 31 25.963 9.942 51.441 1.00 12.08 C
ATOM 209 C LEU A 31 25.874 9.163 52.743 1.00 12.93 C
ATOM 210 O LEU A 31 25.463 9.704 53.763 1.00 13.51 O
ATOM 211 CB LEU A 31 24.602 10.584 51.103 1.00 12.38 C
ATOM 212 CG LEU A 31 24.585 11.503 49.870 1.00 12.59 C
ATOM 213 CD1 LEU A 31 23.172 11.829 49.419 1.00 12.71 C
ATOM 214 CD2 LEU A 31 25.361 12.770 50.186 1.00 9.95 C
ATOM 215 N GLY A 32 26.285 7.902 52.721 1.00 12.96 N
ATOM 216 CA GLY A 32 26.216 7.111 53.931 1.00 14.24 C
ATOM 217 C GLY A 32 25.229 5.965 53.830 1.00 14.23 C
ATOM 218 O GLY A 32 24.236 6.035 53.100 1.00 13.00 O
ATOM 219 N LYS A 33 25.499 4.920 54.607 1.00 14.03 N
ATOM 220 CA LYS A 33 24.672 3.721 54.620 1.00 17.91 C
ATOM 221 C LYS A 33 23.340 3.873 55.347 1.00 16.96 C
ATOM 222 O LYS A 33 22.483 3.005 55.261 1.00 17.51 O
ATOM 223 CB LYS A 33 25.460 2.551 55.220 1.00 19.00 C
ATOM 224 CG LYS A 33 26.653 2.110 54.398 1.00 20.81 C
ATOM 225 CD LYS A 33 26.238 1.493 53.066 1.00 24.05 C
ATOM 226 CE LYS A 33 27.463 0.934 52.335 1.00 27.62 C
ATOM 227 NZ LYS A 33 27.127 0.252 51.056 1.00 28.74 N
ATOM 228 N ASP A 34 23.184 4.967 56.076 1.00 17.47 N
ATOM 229 CA ASP A 34 21.966 5.242 56.831 1.00 17.68 C
ATOM 230 C ASP A 34 21.197 6.384 56.202 1.00 16.12 C
ATOM 231 O ASP A 34 20.258 6.905 56.803 1.00 17.14 O
ATOM 232 CB ASP A 34 22.331 5.633 58.264 1.00 20.13 C
ATOM 233 CG ASP A 34 23.179 6.893 58.327 1.00 24.29 C
ATOM 234 OD1 ASP A 34 23.947 7.195 57.376 1.00 25.66 O
ATOM 235 OD2 ASP A 34 23.074 7.601 59.341 1.00 31.48 O
ATOM 236 N GLN A 35 21.588 6.759 54.989 1.00 14.30 N
ATOM 237 CA GLN A 35 20.968 7.886 54.308 1.00 12.65 C
ATOM 238 C GLN A 35 20.180 7.520 53.061 1.00 10.43 C
ATOM 239 O GLN A 35 20.752 7.238 52.007 1.00 8.23 O
ATOM 240 CB GLN A 35 22.035 8.952 53.982 1.00 13.41 C
ATOM 241 CG GLN A 35 21.507 10.213 53.266 1.00 13.13 C
ATOM 242 CD GLN A 35 20.462 10.966 54.072 1.00 14.35 C
ATOM 243 OE1 GLN A 35 20.773 11.600 55.075 1.00 15.25 O
ATOM 244 NE2 GLN A 35 19.218 10.889 53.639 1.00 13.55 N
ATOM 245 N PRO A 36 18.836 7.518 53.171 1.00 11.50 N
ATOM 246 CA PRO A 36 17.969 7.189 52.039 1.00 8.85 C
ATOM 247 C PRO A 36 18.094 8.286 50.985 1.00 9.30 C
ATOM 248 O PRO A 36 18.327 9.460 51.310 1.00 10.05 O
ATOM 249 CB PRO A 36 16.571 7.185 52.666 1.00 9.91 C
ATOM 250 CG PRO A 36 16.816 6.916 54.101 1.00 12.17 C
ATOM 251 CD PRO A 36 18.044 7.738 54.391 1.00 9.98 C
ATOM 252 N VAL A 37 17.984 7.896 49.723 1.00 7.87 N
ATOM 253 CA VAL A 37 18.091 8.844 48.637 1.00 9.64 C
ATOM 254 C VAL A 37 16.938 8.730 47.654 1.00 10.40 C
ATOM 255 O VAL A 37 16.309 7.679 47.527 1.00 9.11 O
ATOM 256 CB VAL A 37 19.437 8.685 47.841 1.00 11.67 C
ATOM 257 CG1 VAL A 37 20.643 8.832 48.777 1.00 10.76 C
ATOM 258 CG2 VAL A 37 19.491 7.344 47.120 1.00 14.25 C
ATOM 259 N ILE A 38 16.625 9.849 47.014 1.00 9.99 N
ATOM 260 CA ILE A 38 15.601 9.901 45.976 1.00 9.51 C
ATOM 261 C ILE A 38 16.386 10.380 44.745 1.00 9.60 C
ATOM 262 O ILE A 38 17.019 11.432 44.789 1.00 9.99 O
ATOM 263 CB ILE A 38 14.472 10.917 46.332 1.00 11.30 C
ATOM 264 CG1 ILE A 38 13.635 10.390 47.492 1.00 9.48 C
ATOM 265 CG2 ILE A 38 13.584 11.190 45.117 1.00 10.82 C
ATOM 266 CD1 ILE A 38 12.683 11.434 48.055 1.00 14.22 C
ATOM 267 N LEU A 39 16.380 9.602 43.669 1.00 7.20 N
ATOM 268 CA LEU A 39 17.114 9.968 42.458 1.00 8.31 C
ATOM 269 C LEU A 39 16.206 10.655 41.461 1.00 8.59 C
ATOM 270 O LEU A 39 15.136 10.134 41.137 1.00 11.33 O
ATOM 271 CB LEU A 39 17.720 8.717 41.793 1.00 9.70 C
ATOM 272 CG LEU A 39 18.731 7.903 42.607 1.00 14.61 C
ATOM 273 CD1 LEU A 39 19.089 6.638 41.867 1.00 10.63 C
ATOM 274 CD2 LEU A 39 19.984 8.741 42.886 1.00 17.16 C
ATOM 275 N GLN A 40 16.616 11.829 40.997 1.00 7.22 N
ATOM 276 CA GLN A 40 15.850 12.597 40.005 1.00 8.38 C
ATOM 277 C GLN A 40 16.813 12.615 38.831 1.00 9.30 C
ATOM 278 O GLN A 40 17.861 13.270 38.853 1.00 8.75 O
ATOM 279 CB GLN A 40 15.469 13.993 40.550 1.00 6.18 C
ATOM 280 CG GLN A 40 14.708 13.832 41.865 1.00 7.36 C
ATOM 281 CD GLN A 40 14.227 15.098 42.555 1.00 11.77 C
ATOM 282 OE1 GLN A 40 13.579 15.003 43.601 1.00 12.18 O
ATOM 283 NE2 GLN A 40 14.544 16.269 42.010 1.00 10.56 N
ATOM 284 N LEU A 41 16.498 11.782 37.854 1.00 9.59 N
ATOM 285 CA LEU A 41 17.360 11.588 36.702 1.00 9.82 C
ATOM 286 C LEU A 41 16.949 12.368 35.478 1.00 10.88 C
ATOM 287 O LEU A 41 15.774 12.366 35.096 1.00 9.96 O
ATOM 288 CB LEU A 41 17.451 10.081 36.387 1.00 6.92 C
ATOM 289 CG LEU A 41 17.737 9.177 37.594 1.00 9.56 C
ATOM 290 CD1 LEU A 41 17.560 7.713 37.199 1.00 10.82 C
ATOM 291 CD2 LEU A 41 19.138 9.428 38.140 1.00 10.25 C
ATOM 292 N LEU A 42 17.938 13.002 34.848 1.00 8.99 N
ATOM 293 CA LEU A 42 17.720 13.800 33.653 1.00 9.43 C
ATOM 294 C LEU A 42 18.503 13.315 32.447 1.00 8.35 C
ATOM 295 O LEU A 42 19.683 12.963 32.544 1.00 8.38 O
ATOM 296 CB LEU A 42 18.076 15.285 33.919 1.00 9.31 C
ATOM 297 CG LEU A 42 18.001 16.275 32.741 1.00 9.17 C
ATOM 298 CD1 LEU A 42 16.549 16.466 32.345 1.00 7.83 C
ATOM 299 CD2 LEU A 42 18.620 17.636 33.116 1.00 9.39 C
ATOM 300 N GLU A 43 17.822 13.305 31.310 1.00 8.39 N
ATOM 301 CA GLU A 43 18.404 12.966 30.027 1.00 10.67 C
ATOM 302 C GLU A 43 17.765 13.909 29.027 1.00 13.00 C
ATOM 303 O GLU A 43 16.741 14.540 29.333 1.00 10.98 O
ATOM 304 CB GLU A 43 18.088 11.532 29.605 1.00 11.94 C
ATOM 305 CG GLU A 43 19.269 10.576 29.711 1.00 13.97 C
ATOM 306 CD GLU A 43 20.544 11.074 29.031 1.00 14.95 C
ATOM 307 OE1 GLU A 43 20.485 11.914 28.101 1.00 14.04 O
ATOM 308 OE2 GLU A 43 21.625 10.598 29.432 1.00 15.07 O
ATOM 309 N ILE A 44 18.388 14.049 27.857 1.00 13.08 N
ATOM 310 CA ILE A 44 17.831 14.903 26.810 1.00 14.79 C
ATOM 311 C ILE A 44 16.438 14.374 26.407 1.00 18.62 C
ATOM 312 O ILE A 44 16.148 13.183 26.560 1.00 19.48 O
ATOM 313 CB ILE A 44 18.774 15.007 25.592 1.00 12.77 C
ATOM 314 CG1 ILE A 44 19.062 13.634 24.991 1.00 14.27 C
ATOM 315 CG2 ILE A 44 20.060 15.687 26.010 1.00 13.66 C
ATOM 316 CD1 ILE A 44 19.869 13.684 23.673 1.00 11.16 C
ATOM 317 N PRO A 45 15.558 15.253 25.891 1.00 21.46 N
ATOM 318 CA PRO A 45 14.206 14.838 25.493 1.00 22.95 C
ATOM 319 C PRO A 45 14.059 13.757 24.421 1.00 23.23 C
ATOM 320 O PRO A 45 13.004 13.128 24.330 1.00 25.32 O
ATOM 321 CB PRO A 45 13.556 16.160 25.063 1.00 21.72 C
ATOM 322 CG PRO A 45 14.733 16.978 24.586 1.00 21.75 C
ATOM 323 CD PRO A 45 15.755 16.695 25.645 1.00 20.92 C
ATOM 324 N ASN A 46 15.100 13.532 23.625 1.00 22.05 N
ATOM 325 CA ASN A 46 15.062 12.530 22.547 1.00 22.69 C
ATOM 326 C ASN A 46 14.553 11.141 22.973 1.00 21.23 C
ATOM 327 O ASN A 46 14.941 10.613 24.010 1.00 16.87 O
ATOM 328 CB ASN A 46 16.435 12.435 21.872 1.00 25.93 C
ATOM 329 CG ASN A 46 16.895 13.775 21.300 1.00 28.10 C
ATOM 330 OD1 ASN A 46 17.048 13.927 20.085 1.00 32.67 O
ATOM 331 ND2 ASN A 46 17.100 14.758 22.173 1.00 26.88 N
ATOM 332 N GLU A 47 13.677 10.564 22.154 1.00 22.86 N
ATOM 333 CA GLU A 47 13.059 9.261 22.428 1.00 26.09 C
ATOM 334 C GLU A 47 14.030 8.132 22.785 1.00 23.95 C
ATOM 335 O GLU A 47 13.804 7.379 23.732 1.00 22.53 O
ATOM 336 CB GLU A 47 12.198 8.841 21.237 1.00 31.73 C
ATOM 337 CG GLU A 47 11.308 7.641 21.514 1.00 43.45 C
ATOM 338 CD GLU A 47 10.449 7.235 20.316 1.00 50.45 C
ATOM 339 OE1 GLU A 47 10.874 7.461 19.155 1.00 54.60 O
ATOM 340 OE2 GLU A 47 9.347 6.676 20.542 1.00 54.90 O
ATOM 341 N LYS A 48 15.086 8.001 21.995 1.00 23.48 N
ATOM 342 CA LYS A 48 16.094 6.978 22.221 1.00 23.85 C
ATOM 343 C LYS A 48 16.749 7.135 23.604 1.00 20.87 C
ATOM 344 O LYS A 48 16.953 6.159 24.314 1.00 19.89 O
ATOM 345 CB LYS A 48 17.150 7.052 21.113 1.00 28.72 C
ATOM 346 CG LYS A 48 18.268 6.028 21.232 1.00 37.71 C
ATOM 347 CD LYS A 48 19.339 6.224 20.147 1.00 46.33 C
ATOM 348 CE LYS A 48 20.493 5.206 20.266 1.00 49.97 C
ATOM 349 NZ LYS A 48 20.102 3.794 19.921 1.00 54.26 N
ATOM 350 N ALA A 49 17.104 8.366 23.959 1.00 17.95 N
ATOM 351 CA ALA A 49 17.731 8.660 25.238 1.00 13.83 C
ATOM 352 C ALA A 49 16.798 8.401 26.407 1.00 12.35 C
ATOM 353 O ALA A 49 17.227 7.910 27.449 1.00 10.57 O
ATOM 354 CB ALA A 49 18.202 10.100 25.258 1.00 15.12 C
ATOM 355 N GLN A 50 15.532 8.791 26.256 1.00 12.28 N
ATOM 356 CA GLN A 50 14.540 8.591 27.310 1.00 12.70 C
ATOM 357 C GLN A 50 14.224 7.105 27.504 1.00 12.06 C
ATOM 358 O GLN A 50 13.969 6.650 28.625 1.00 11.21 O
ATOM 359 CB GLN A 50 13.263 9.392 27.014 1.00 13.05 C
ATOM 360 CG GLN A 50 13.413 10.905 27.247 1.00 11.44 C
ATOM 361 CD GLN A 50 13.643 11.260 28.708 1.00 14.90 C
ATOM 362 OE1 GLN A 50 12.943 10.764 29.597 1.00 14.89 O
ATOM 363 NE2 GLN A 50 14.633 12.114 28.965 1.00 13.81 N
ATOM 364 N LYS A 51 14.221 6.367 26.400 1.00 11.78 N
ATOM 365 CA LYS A 51 13.977 4.935 26.433 1.00 14.26 C
ATOM 366 C LYS A 51 15.151 4.255 27.154 1.00 13.38 C
ATOM 367 O LYS A 51 14.949 3.391 28.011 1.00 12.20 O
ATOM 368 CB LYS A 51 13.850 4.410 25.008 1.00 19.35 C
ATOM 369 CG LYS A 51 13.063 3.127 24.922 1.00 33.26 C
ATOM 370 CD LYS A 51 12.262 3.057 23.624 1.00 41.88 C
ATOM 371 CE LYS A 51 11.239 1.906 23.677 1.00 49.41 C
ATOM 372 NZ LYS A 51 10.261 1.923 22.526 1.00 54.13 N
ATOM 373 N ALA A 52 16.376 4.659 26.819 1.00 11.82 N
ATOM 374 CA ALA A 52 17.557 4.092 27.456 1.00 9.73 C
ATOM 375 C ALA A 52 17.534 4.389 28.960 1.00 11.55 C
ATOM 376 O ALA A 52 17.927 3.545 29.773 1.00 10.31 O
ATOM 377 CB ALA A 52 18.819 4.641 26.815 1.00 11.05 C
ATOM 378 N LEU A 53 17.073 5.585 29.331 1.00 10.04 N
ATOM 379 CA LEU A 53 16.988 5.968 30.735 1.00 9.22 C
ATOM 380 C LEU A 53 15.967 5.065 31.442 1.00 10.39 C
ATOM 381 O LEU A 53 16.122 4.721 32.611 1.00 10.95 O
ATOM 382 CB LEU A 53 16.589 7.443 30.858 1.00 7.82 C
ATOM 383 CG LEU A 53 16.405 7.995 32.275 1.00 10.42 C
ATOM 384 CD1 LEU A 53 17.679 7.778 33.110 1.00 10.55 C
ATOM 385 CD2 LEU A 53 16.031 9.479 32.202 1.00 10.34 C
ATOM 386 N GLN A 54 14.909 4.703 30.733 1.00 11.79 N
ATOM 387 CA GLN A 54 13.899 3.820 31.297 1.00 15.54 C
ATOM 388 C GLN A 54 14.558 2.461 31.610 1.00 13.26 C
ATOM 389 O GLN A 54 14.304 1.866 32.658 1.00 11.18 O
ATOM 390 CB GLN A 54 12.745 3.671 30.292 1.00 21.69 C
ATOM 391 CG GLN A 54 11.470 3.080 30.862 1.00 32.42 C
ATOM 392 CD GLN A 54 11.078 3.701 32.201 1.00 38.23 C
ATOM 393 OE1 GLN A 54 10.759 4.898 32.286 1.00 39.20 O
ATOM 394 NE2 GLN A 54 11.096 2.880 33.261 1.00 42.37 N
ATOM 395 N GLY A 55 15.437 2.011 30.710 1.00 12.87 N
ATOM 396 CA GLY A 55 16.146 0.752 30.884 1.00 10.82 C
ATOM 397 C GLY A 55 17.076 0.748 32.090 1.00 12.32 C
ATOM 398 O GLY A 55 17.174 -0.243 32.817 1.00 10.84 O
ATOM 399 N VAL A 56 17.793 1.848 32.287 1.00 10.40 N
ATOM 400 CA VAL A 56 18.692 1.973 33.422 1.00 9.86 C
ATOM 401 C VAL A 56 17.887 1.934 34.719 1.00 8.47 C
ATOM 402 O VAL A 56 18.299 1.323 35.706 1.00 7.88 O
ATOM 403 CB VAL A 56 19.506 3.287 33.337 1.00 11.25 C
ATOM 404 CG1 VAL A 56 20.399 3.428 34.564 1.00 14.25 C
ATOM 405 CG2 VAL A 56 20.335 3.291 32.069 1.00 9.85 C
ATOM 406 N MET A 57 16.746 2.610 34.720 1.00 7.20 N
ATOM 407 CA MET A 57 15.884 2.638 35.887 1.00 9.94 C
ATOM 408 C MET A 57 15.366 1.236 36.217 1.00 8.85 C
ATOM 409 O MET A 57 15.212 0.896 37.395 1.00 10.32 O
ATOM 410 CB MET A 57 14.729 3.609 35.667 1.00 9.50 C
ATOM 411 CG MET A 57 15.174 5.059 35.672 1.00 13.49 C
ATOM 412 SD MET A 57 13.830 6.177 35.342 1.00 16.65 S
ATOM 413 CE MET A 57 13.077 6.189 36.866 1.00 9.90 C
ATOM 414 N MET A 58 15.047 0.452 35.187 1.00 7.28 N
ATOM 415 CA MET A 58 14.602 -0.921 35.404 1.00 8.08 C
ATOM 416 C MET A 58 15.699 -1.703 36.137 1.00 8.69 C
ATOM 417 O MET A 58 15.425 -2.390 37.125 1.00 8.74 O
ATOM 418 CB MET A 58 14.270 -1.583 34.077 1.00 9.08 C
ATOM 419 CG MET A 58 12.964 -1.099 33.481 1.00 11.29 C
ATOM 420 SD MET A 58 12.505 -2.065 32.058 1.00 20.40 S
ATOM 421 CE MET A 58 13.205 -1.208 30.771 1.00 16.43 C
ATOM 422 N GLU A 59 16.940 -1.587 35.660 1.00 8.75 N
ATOM 423 CA GLU A 59 18.076 -2.256 36.302 1.00 6.51 C
ATOM 424 C GLU A 59 18.276 -1.855 37.760 1.00 7.46 C
ATOM 425 O GLU A 59 18.596 -2.696 38.603 1.00 7.09 O
ATOM 426 CB GLU A 59 19.357 -1.969 35.538 1.00 6.84 C
ATOM 427 CG GLU A 59 19.416 -2.616 34.195 1.00 7.24 C
ATOM 428 CD GLU A 59 20.834 -2.931 33.806 1.00 9.54 C
ATOM 429 OE1 GLU A 59 21.468 -3.761 34.498 1.00 9.53 O
ATOM 430 OE2 GLU A 59 21.306 -2.363 32.805 1.00 10.48 O
ATOM 431 N ILE A 60 18.138 -0.562 38.058 1.00 8.38 N
ATOM 432 CA ILE A 60 18.297 -0.068 39.427 1.00 6.93 C
ATOM 433 C ILE A 60 17.222 -0.696 40.314 1.00 6.83 C
ATOM 434 O ILE A 60 17.485 -1.083 41.457 1.00 6.73 O
ATOM 435 CB ILE A 60 18.220 1.491 39.488 1.00 7.60 C
ATOM 436 CG1 ILE A 60 19.436 2.104 38.783 1.00 8.63 C
ATOM 437 CG2 ILE A 60 18.148 1.970 40.949 1.00 7.02 C
ATOM 438 CD1 ILE A 60 19.327 3.606 38.512 1.00 9.31 C
ATOM 439 N ASP A 61 15.995 -0.758 39.807 1.00 8.63 N
ATOM 440 CA ASP A 61 14.916 -1.382 40.566 1.00 9.00 C
ATOM 441 C ASP A 61 15.268 -2.847 40.818 1.00 6.87 C
ATOM 442 O ASP A 61 15.038 -3.368 41.904 1.00 8.31 O
ATOM 443 CB ASP A 61 13.589 -1.324 39.791 1.00 9.89 C
ATOM 444 CG ASP A 61 12.844 -0.015 39.995 1.00 14.98 C
ATOM 445 OD1 ASP A 61 13.124 0.707 40.980 1.00 15.52 O
ATOM 446 OD2 ASP A 61 11.974 0.291 39.156 1.00 17.96 O
ATOM 447 N ASP A 62 15.813 -3.498 39.798 1.00 7.67 N
ATOM 448 CA ASP A 62 16.182 -4.907 39.880 1.00 6.86 C
ATOM 449 C ASP A 62 17.327 -5.230 40.819 1.00 8.91 C
ATOM 450 O ASP A 62 17.710 -6.404 40.940 1.00 9.33 O
ATOM 451 CB ASP A 62 16.437 -5.473 38.483 1.00 5.79 C
ATOM 452 CG ASP A 62 15.178 -5.510 37.639 1.00 6.71 C
ATOM 453 OD1 ASP A 62 14.073 -5.357 38.212 1.00 9.76 O
ATOM 454 OD2 ASP A 62 15.293 -5.674 36.400 1.00 7.77 O
ATOM 455 N CYS A 63 17.903 -4.201 41.447 1.00 7.37 N
ATOM 456 CA CYS A 63 18.972 -4.405 42.417 1.00 6.64 C
ATOM 457 C CYS A 63 18.407 -4.452 43.815 1.00 6.09 C
ATOM 458 O CYS A 63 19.112 -4.807 44.754 1.00 9.60 O
ATOM 459 CB CYS A 63 20.064 -3.320 42.340 1.00 4.23 C
ATOM 460 SG CYS A 63 21.021 -3.376 40.849 1.00 7.23 S
ATOM 461 N ALA A 64 17.142 -4.076 43.968 1.00 6.68 N
ATOM 462 CA ALA A 64 16.500 -4.091 45.279 1.00 7.30 C
ATOM 463 C ALA A 64 17.277 -3.360 46.383 1.00 8.59 C
ATOM 464 O ALA A 64 17.482 -3.906 47.471 1.00 10.44 O
ATOM 465 CB ALA A 64 16.194 -5.534 45.712 1.00 6.18 C
ATOM 466 N PHE A 65 17.676 -2.117 46.112 1.00 8.46 N
ATOM 467 CA PHE A 65 18.420 -1.293 47.074 1.00 8.13 C
ATOM 468 C PHE A 65 17.512 -0.759 48.189 1.00 8.27 C
ATOM 469 O PHE A 65 16.563 -0.010 47.924 1.00 8.92 O
ATOM 470 CB PHE A 65 19.070 -0.090 46.355 1.00 7.58 C
ATOM 471 CG PHE A 65 20.196 -0.456 45.406 1.00 7.59 C
ATOM 472 CD1 PHE A 65 21.393 -0.992 45.888 1.00 11.47 C
ATOM 473 CD2 PHE A 65 20.087 -0.201 44.042 1.00 8.62 C
ATOM 474 CE1 PHE A 65 22.464 -1.262 45.018 1.00 8.22 C
ATOM 475 CE2 PHE A 65 21.155 -0.467 43.168 1.00 8.29 C
ATOM 476 CZ PHE A 65 22.340 -0.996 43.665 1.00 7.97 C
ATOM 477 N PRO A 66 17.791 -1.123 49.451 1.00 8.29 N
ATOM 478 CA PRO A 66 16.953 -0.633 50.544 1.00 10.37 C
ATOM 479 C PRO A 66 16.956 0.888 50.759 1.00 13.34 C
ATOM 480 O PRO A 66 15.973 1.436 51.248 1.00 13.35 O
ATOM 481 CB PRO A 66 17.482 -1.403 51.762 1.00 10.60 C
ATOM 482 CG PRO A 66 18.860 -1.781 51.381 1.00 11.07 C
ATOM 483 CD PRO A 66 18.737 -2.138 49.933 1.00 9.34 C
ATOM 484 N LEU A 67 18.050 1.565 50.395 1.00 13.08 N
ATOM 485 CA LEU A 67 18.158 3.023 50.559 1.00 12.16 C
ATOM 486 C LEU A 67 17.418 3.855 49.498 1.00 11.13 C
ATOM 487 O LEU A 67 17.219 5.048 49.683 1.00 13.25 O
ATOM 488 CB LEU A 67 19.638 3.458 50.595 1.00 9.95 C
ATOM 489 CG LEU A 67 20.449 3.024 51.809 1.00 8.63 C
ATOM 490 CD1 LEU A 67 21.893 3.505 51.686 1.00 10.50 C
ATOM 491 CD2 LEU A 67 19.819 3.599 53.049 1.00 8.77 C
ATOM 492 N LEU A 68 17.062 3.248 48.375 1.00 10.82 N
ATOM 493 CA LEU A 68 16.376 3.970 47.313 1.00 11.88 C
ATOM 494 C LEU A 68 14.911 4.241 47.682 1.00 14.24 C
ATOM 495 O LEU A 68 14.045 3.370 47.544 1.00 13.99 O
ATOM 496 CB LEU A 68 16.471 3.192 46.009 1.00 9.74 C
ATOM 497 CG LEU A 68 15.999 3.937 44.769 1.00 12.73 C
ATOM 498 CD1 LEU A 68 16.928 5.130 44.539 1.00 13.55 C
ATOM 499 CD2 LEU A 68 16.009 3.022 43.572 1.00 11.38 C
ATOM 500 N ALA A 69 14.652 5.454 48.154 1.00 12.41 N
ATOM 501 CA ALA A 69 13.324 5.874 48.577 1.00 12.81 C
ATOM 502 C ALA A 69 12.457 6.391 47.440 1.00 14.36 C
ATOM 503 O ALA A 69 11.283 6.699 47.651 1.00 19.25 O
ATOM 504 CB ALA A 69 13.441 6.943 49.670 1.00 13.45 C
ATOM 505 N GLY A 70 13.020 6.502 46.245 1.00 11.27 N
ATOM 506 CA GLY A 70 12.251 7.009 45.126 1.00 11.32 C
ATOM 507 C GLY A 70 13.137 7.297 43.944 1.00 8.10 C
ATOM 508 O GLY A 70 14.336 7.456 44.095 1.00 10.54 O
ATOM 509 N MET A 71 12.554 7.366 42.764 1.00 7.66 N
ATOM 510 CA MET A 71 13.332 7.605 41.566 1.00 9.53 C
ATOM 511 C MET A 71 12.400 8.038 40.454 1.00 10.31 C
ATOM 512 O MET A 71 11.390 7.378 40.176 1.00 9.36 O
ATOM 513 CB MET A 71 14.088 6.308 41.199 1.00 10.54 C
ATOM 514 CG MET A 71 14.716 6.261 39.821 1.00 12.21 C
ATOM 515 SD MET A 71 15.820 4.807 39.638 1.00 14.76 S
ATOM 516 CE MET A 71 14.658 3.447 39.668 1.00 12.25 C
ATOM 517 N THR A 72 12.722 9.158 39.822 1.00 8.48 N
ATOM 518 CA THR A 72 11.897 9.681 38.745 1.00 9.62 C
ATOM 519 C THR A 72 12.764 10.087 37.562 1.00 8.77 C
ATOM 520 O THR A 72 13.939 10.429 37.735 1.00 8.38 O
ATOM 521 CB THR A 72 11.050 10.917 39.239 1.00 10.51 C
ATOM 522 OG1 THR A 72 11.904 11.870 39.889 1.00 9.90 O
ATOM 523 CG2 THR A 72 9.975 10.484 40.237 1.00 8.49 C
ATOM 524 N ALA A 73 12.206 9.986 36.361 1.00 7.31 N
ATOM 525 CA ALA A 73 12.919 10.368 35.143 1.00 8.74 C
ATOM 526 C ALA A 73 12.363 11.699 34.640 1.00 9.87 C
ATOM 527 O ALA A 73 11.153 11.950 34.728 1.00 10.53 O
ATOM 528 CB ALA A 73 12.770 9.304 34.078 1.00 10.65 C
ATOM 529 N HIS A 74 13.232 12.525 34.070 1.00 7.90 N
ATOM 530 CA HIS A 74 12.844 13.845 33.570 1.00 9.26 C
ATOM 531 C HIS A 74 13.443 14.163 32.216 1.00 8.60 C
ATOM 532 O HIS A 74 14.465 13.604 31.832 1.00 9.94 O
ATOM 533 CB HIS A 74 13.315 14.916 34.548 1.00 6.81 C
ATOM 534 CG HIS A 74 12.811 14.726 35.935 1.00 6.03 C
ATOM 535 ND1 HIS A 74 13.421 13.885 36.841 1.00 8.84 N
ATOM 536 CD2 HIS A 74 11.748 15.260 36.575 1.00 4.31 C
ATOM 537 CE1 HIS A 74 12.753 13.910 37.980 1.00 7.60 C
ATOM 538 NE2 HIS A 74 11.733 14.738 37.843 1.00 7.16 N
ATOM 539 N ALA A 75 12.807 15.080 31.497 1.00 9.18 N
ATOM 540 CA ALA A 75 13.314 15.511 30.195 1.00 8.86 C
ATOM 541 C ALA A 75 13.547 17.028 30.230 1.00 9.08 C
ATOM 542 O ALA A 75 13.990 17.621 29.253 1.00 13.14 O
ATOM 543 CB ALA A 75 12.340 15.167 29.108 1.00 7.96 C
ATOM 544 N ASP A 76 13.330 17.626 31.391 1.00 10.23 N
ATOM 545 CA ASP A 76 13.439 19.075 31.568 1.00 13.63 C
ATOM 546 C ASP A 76 14.183 19.375 32.862 1.00 11.37 C
ATOM 547 O ASP A 76 13.836 18.848 33.916 1.00 12.86 O
ATOM 548 CB ASP A 76 12.000 19.647 31.605 1.00 17.22 C
ATOM 549 CG ASP A 76 11.930 21.141 31.917 1.00 22.54 C
ATOM 550 OD1 ASP A 76 12.943 21.861 31.812 1.00 22.44 O
ATOM 551 OD2 ASP A 76 10.819 21.601 32.276 1.00 29.46 O
ATOM 552 N PRO A 77 15.253 20.195 32.792 1.00 11.10 N
ATOM 553 CA PRO A 77 15.985 20.502 34.025 1.00 9.50 C
ATOM 554 C PRO A 77 15.126 21.146 35.107 1.00 8.83 C
ATOM 555 O PRO A 77 15.389 20.986 36.294 1.00 8.32 O
ATOM 556 CB PRO A 77 17.113 21.435 33.543 1.00 11.05 C
ATOM 557 CG PRO A 77 16.658 21.918 32.199 1.00 12.02 C
ATOM 558 CD PRO A 77 15.954 20.731 31.615 1.00 11.53 C
ATOM 559 N MET A 78 14.100 21.885 34.693 1.00 10.81 N
ATOM 560 CA MET A 78 13.220 22.551 35.649 1.00 12.68 C
ATOM 561 C MET A 78 12.517 21.549 36.568 1.00 11.36 C
ATOM 562 O MET A 78 12.256 21.852 37.727 1.00 13.78 O
ATOM 563 CB MET A 78 12.220 23.438 34.905 1.00 17.00 C
ATOM 564 CG MET A 78 11.992 24.794 35.559 1.00 26.27 C
ATOM 565 SD MET A 78 13.504 25.776 35.819 1.00 24.66 S
ATOM 566 CE MET A 78 13.718 26.495 34.232 1.00 27.58 C
ATOM 567 N THR A 79 12.163 20.375 36.059 1.00 11.02 N
ATOM 568 CA THR A 79 11.541 19.384 36.939 1.00 10.47 C
ATOM 569 C THR A 79 12.623 18.523 37.625 1.00 9.44 C
ATOM 570 O THR A 79 12.503 18.193 38.804 1.00 7.87 O
ATOM 571 CB THR A 79 10.488 18.485 36.211 1.00 10.14 C
ATOM 572 OG1 THR A 79 11.100 17.734 35.153 1.00 9.64 O
ATOM 573 CG2 THR A 79 9.380 19.343 35.629 1.00 11.66 C
ATOM 574 N ALA A 80 13.688 18.194 36.894 1.00 9.30 N
ATOM 575 CA ALA A 80 14.766 17.378 37.444 1.00 8.61 C
ATOM 576 C ALA A 80 15.418 17.989 38.689 1.00 8.70 C
ATOM 577 O ALA A 80 15.659 17.280 39.659 1.00 8.53 O
ATOM 578 CB ALA A 80 15.812 17.098 36.372 1.00 7.19 C
ATOM 579 N PHE A 81 15.651 19.305 38.693 1.00 8.82 N
ATOM 580 CA PHE A 81 16.295 19.952 39.837 1.00 8.72 C
ATOM 581 C PHE A 81 15.405 20.366 41.008 1.00 9.69 C
ATOM 582 O PHE A 81 15.898 20.836 42.031 1.00 8.97 O
ATOM 583 CB PHE A 81 17.151 21.124 39.354 1.00 10.09 C
ATOM 584 CG PHE A 81 18.261 20.699 38.444 1.00 10.71 C
ATOM 585 CD1 PHE A 81 19.166 19.710 38.852 1.00 13.42 C
ATOM 586 CD2 PHE A 81 18.396 21.248 37.179 1.00 11.13 C
ATOM 587 CE1 PHE A 81 20.190 19.270 38.001 1.00 14.30 C
ATOM 588 CE2 PHE A 81 19.419 20.815 36.319 1.00 14.00 C
ATOM 589 CZ PHE A 81 20.317 19.825 36.735 1.00 10.76 C
ATOM 590 N LYS A 82 14.105 20.129 40.866 1.00 9.87 N
ATOM 591 CA LYS A 82 13.112 20.468 41.876 1.00 10.85 C
ATOM 592 C LYS A 82 13.453 19.964 43.277 1.00 10.46 C
ATOM 593 O LYS A 82 13.496 18.760 43.519 1.00 10.29 O
ATOM 594 CB LYS A 82 11.763 19.912 41.437 1.00 14.13 C
ATOM 595 CG LYS A 82 10.673 20.919 41.387 1.00 22.71 C
ATOM 596 CD LYS A 82 10.434 21.468 42.751 1.00 26.42 C
ATOM 597 CE LYS A 82 9.367 22.527 42.714 1.00 32.66 C
ATOM 598 NZ LYS A 82 9.261 23.173 44.050 1.00 36.79 N
ATOM 599 N ASP A 83 13.666 20.897 44.202 1.00 8.61 N
ATOM 600 CA ASP A 83 14.010 20.587 45.599 1.00 9.69 C
ATOM 601 C ASP A 83 15.245 19.698 45.774 1.00 8.39 C
ATOM 602 O ASP A 83 15.415 19.076 46.826 1.00 7.64 O
ATOM 603 CB ASP A 83 12.829 19.933 46.306 1.00 12.11 C
ATOM 604 CG ASP A 83 11.631 20.836 46.379 1.00 18.86 C
ATOM 605 OD1 ASP A 83 11.828 22.050 46.568 1.00 22.43 O
ATOM 606 OD2 ASP A 83 10.492 20.338 46.239 1.00 24.46 O
ATOM 607 N ALA A 84 16.111 19.665 44.765 1.00 7.85 N
ATOM 608 CA ALA A 84 17.315 18.838 44.830 1.00 7.96 C
ATOM 609 C ALA A 84 18.269 19.337 45.914 1.00 8.09 C
ATOM 610 O ALA A 84 18.497 20.545 46.037 1.00 9.01 O
ATOM 611 CB ALA A 84 18.010 18.801 43.469 1.00 5.23 C
ATOM 612 N ASP A 85 18.777 18.411 46.727 1.00 7.27 N
ATOM 613 CA ASP A 85 19.717 18.730 47.795 1.00 7.96 C
ATOM 614 C ASP A 85 21.159 18.651 47.295 1.00 9.22 C
ATOM 615 O ASP A 85 22.060 19.281 47.864 1.00 10.17 O
ATOM 616 CB ASP A 85 19.565 17.749 48.946 1.00 8.45 C
ATOM 617 CG ASP A 85 18.224 17.852 49.623 1.00 12.50 C
ATOM 618 OD1 ASP A 85 17.967 18.876 50.300 1.00 9.27 O
ATOM 619 OD2 ASP A 85 17.432 16.899 49.486 1.00 12.35 O
ATOM 620 N VAL A 86 21.377 17.814 46.286 1.00 6.91 N
ATOM 621 CA VAL A 86 22.691 17.622 45.681 1.00 7.25 C
ATOM 622 C VAL A 86 22.474 17.433 44.197 1.00 7.03 C
ATOM 623 O VAL A 86 21.492 16.820 43.792 1.00 8.21 O
ATOM 624 CB VAL A 86 23.382 16.338 46.214 1.00 9.01 C
ATOM 625 CG1 VAL A 86 24.688 16.085 45.454 1.00 11.80 C
ATOM 626 CG2 VAL A 86 23.630 16.431 47.701 1.00 9.71 C
ATOM 627 N ALA A 87 23.343 18.004 43.375 1.00 5.85 N
ATOM 628 CA ALA A 87 23.236 17.831 41.933 1.00 6.52 C
ATOM 629 C ALA A 87 24.585 17.410 41.353 1.00 7.52 C
ATOM 630 O ALA A 87 25.635 17.948 41.736 1.00 7.72 O
ATOM 631 CB ALA A 87 22.752 19.113 41.258 1.00 5.08 C
ATOM 632 N LEU A 88 24.561 16.405 40.487 1.00 6.43 N
ATOM 633 CA LEU A 88 25.771 15.942 39.820 1.00 7.71 C
ATOM 634 C LEU A 88 25.557 16.182 38.355 1.00 8.75 C
ATOM 635 O LEU A 88 24.717 15.540 37.710 1.00 8.40 O
ATOM 636 CB LEU A 88 26.067 14.470 40.105 1.00 9.39 C
ATOM 637 CG LEU A 88 26.642 14.218 41.498 1.00 12.00 C