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4384 lines (4384 loc) · 347 KB
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HEADER HYDROLASE 02-APR-07 2PE4
TITLE STRUCTURE OF HUMAN HYALURONIDASE 1, A HYALURONAN HYDROLYZING ENZYME
TITLE 2 INVOLVED IN TUMOR GROWTH AND ANGIOGENESIS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HYALURONIDASE-1;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: HYAL-1, HYALURONOGLUCOSAMINIDASE-1, LUCA-1;
COMPND 5 EC: 3.2.1.35;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: HYAL1, LUCA1;
SOURCE 6 EXPRESSION_SYSTEM: DROSOPHILA MELANOGASTER;
SOURCE 7 EXPRESSION_SYSTEM_COMMON: FRUIT FLY;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 7227;
SOURCE 9 EXPRESSION_SYSTEM_STRAIN: SCHNEIDER 2 CELLS;
SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PMT/BIP/HYAL1ISO1
KEYWDS HYALURONIDASE, HYALURONAN, EGF-LIKE DOMAIN, HYDROLASE
EXPDTA X-RAY DIFFRACTION
AUTHOR K.L.CHAO,O.HERZBERG
REVDAT 6 30-AUG-23 2PE4 1 HETSYN
REVDAT 5 29-JUL-20 2PE4 1 COMPND REMARK SEQADV HETNAM
REVDAT 5 2 1 LINK SITE ATOM
REVDAT 4 18-OCT-17 2PE4 1 REMARK
REVDAT 3 13-JUL-11 2PE4 1 VERSN
REVDAT 2 24-FEB-09 2PE4 1 VERSN
REVDAT 1 12-JUN-07 2PE4 0
JRNL AUTH K.L.CHAO,L.MUTHUKUMAR,O.HERZBERG
JRNL TITL STRUCTURE OF HUMAN HYALURONIDASE-1, A HYALURONAN HYDROLYZING
JRNL TITL 2 ENZYME INVOLVED IN TUMOR GROWTH AND ANGIOGENESIS
JRNL REF BIOCHEMISTRY V. 46 6911 2007
JRNL REFN ISSN 0006-2960
JRNL PMID 17503783
JRNL DOI 10.1021/BI700382G
REMARK 2
REMARK 2 RESOLUTION. 2.00 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : REFMAC
REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER,
REMARK 3 : NICHOLLS,WINN,LONG,VAGIN
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.65
REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000
REMARK 3 COMPLETENESS FOR RANGE (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : 32231
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 + TEST SET) : 0.190
REMARK 3 R VALUE (WORKING SET) : 0.190
REMARK 3 FREE R VALUE : 0.230
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 3284
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 134
REMARK 3 SOLVENT ATOMS : 335
REMARK 3
REMARK 3 B VALUES.
REMARK 3 FROM WILSON PLOT (A**2) : NULL
REMARK 3 MEAN B VALUE (OVERALL, A**2) : 37.02
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 OVERALL COORDINATE ERROR.
REMARK 3 ESU BASED ON R VALUE (A): NULL
REMARK 3 ESU BASED ON FREE R VALUE (A): NULL
REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL
REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES.
REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA
REMARK 3 BOND LENGTH (A) : 0.013 ; NULL
REMARK 3 ANGLE DISTANCE (A) : 1.823 ; NULL
REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL
REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL
REMARK 3
REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL
REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL
REMARK 3
REMARK 3 NON-BONDED CONTACT RESTRAINTS.
REMARK 3 SINGLE TORSION (A) : NULL ; NULL
REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL
REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL
REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL
REMARK 3
REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS.
REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL
REMARK 3 PLANAR (DEGREES) : NULL ; NULL
REMARK 3 STAGGERED (DEGREES) : NULL ; NULL
REMARK 3 TRANSVERSE (DEGREES) : NULL ; 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 OTHER REFINEMENT REMARKS: TLS REFINEMENT WITH 2 GROUPS
REMARK 4
REMARK 4 2PE4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-APR-07.
REMARK 100 THE DEPOSITION ID IS D_1000042275.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : 01-APR-06
REMARK 200 TEMPERATURE (KELVIN) : 100
REMARK 200 PH : 4.6
REMARK 200 NUMBER OF CRYSTALS USED : 1
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : Y
REMARK 200 RADIATION SOURCE : APS
REMARK 200 BEAMLINE : 22-BM
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.0000
REMARK 200 MONOCHROMATOR : CRYOGENICALLY COOLED DOUBLE
REMARK 200 CRYSTAL SI (220)
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : CCD
REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK
REMARK 200 DATA SCALING SOFTWARE : D*TREK 8.0SSI
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 47955
REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000
REMARK 200 RESOLUTION RANGE LOW (A) : 30.650
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 99.4
REMARK 200 DATA REDUNDANCY : 10.48
REMARK 200 R MERGE (I) : 0.06300
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 14.0000
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07
REMARK 200 COMPLETENESS FOR SHELL (%) : 97.7
REMARK 200 DATA REDUNDANCY IN SHELL : 8.72
REMARK 200 R MERGE FOR SHELL (I) : 0.48800
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.400
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER
REMARK 200 STARTING MODEL: PDB ENTRY 1FCU
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 66.82
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.71
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.5 M SODIUM CHLORIDE, 10% ETHANOL, 3%
REMARK 280 GALACTOSE, PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE
REMARK 280 298K
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1
REMARK 290
REMARK 290 SYMOP SYMMETRY
REMARK 290 NNNMMM OPERATOR
REMARK 290 1555 X,Y,Z
REMARK 290 2555 -Y,X-Y,Z+2/3
REMARK 290 3555 -X+Y,-X,Z+1/3
REMARK 290 4555 Y,X,-Z
REMARK 290 5555 X-Y,-Y,-Z+1/3
REMARK 290 6555 -X,-X+Y,-Z+2/3
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 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 95.87333
REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 47.93667
REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000
REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000
REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 47.93667
REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000
REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000
REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 95.87333
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 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 GLY A 437
REMARK 465 HIS A 438
REMARK 465 HIS A 439
REMARK 465 HIS A 440
REMARK 465 HIS A 441
REMARK 465 HIS A 442
REMARK 465 HIS A 443
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O HOH A 1070 O HOH A 1193 1.81
REMARK 500 O HOH A 1168 O HOH A 1217 2.10
REMARK 500 O HOH A 1155 O HOH A 1232 2.18
REMARK 500 O HOH A 952 O HOH A 1219 2.19
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE
REMARK 500 OE1 GLN A 390 CB PRO A 393 4645 1.47
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 ARG A 191 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES
REMARK 500 ASP A 211 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES
REMARK 500 VAL A 318 CG1 - CB - CG2 ANGL. DEV. = 11.8 DEGREES
REMARK 500 ARG A 368 CD - NE - CZ ANGL. DEV. = 11.9 DEGREES
REMARK 500 ARG A 368 NE - CZ - NH1 ANGL. DEV. = 10.1 DEGREES
REMARK 500 ARG A 368 NE - CZ - NH2 ANGL. DEV. = -11.4 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 ASN A 37 71.23 -106.33
REMARK 500 ALA A 132 -84.16 -71.40
REMARK 500 ASP A 142 -126.04 65.55
REMARK 500 ASP A 161 63.32 -104.99
REMARK 500 ASN A 209 48.13 -94.21
REMARK 500 ASP A 211 47.52 -72.48
REMARK 500 ASN A 216 30.90 -86.48
REMARK 500 SER A 223 -109.71 10.70
REMARK 500 ASP A 301 -63.77 -25.63
REMARK 500 SER A 306 -70.35 -123.22
REMARK 500 THR A 343 -59.84 -128.68
REMARK 500 TRP A 435 54.34 -100.90
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 ARG A 368 0.07 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2PE4 A 22 435 UNP Q12794 HYAL1_HUMAN 22 435
SEQADV 2PE4 ARG A 20 UNP Q12794 CLONING ARTIFACT
SEQADV 2PE4 SER A 21 UNP Q12794 CLONING ARTIFACT
SEQADV 2PE4 THR A 436 UNP Q12794 CLONING ARTIFACT
SEQADV 2PE4 GLY A 437 UNP Q12794 CLONING ARTIFACT
SEQADV 2PE4 HIS A 438 UNP Q12794 EXPRESSION TAG
SEQADV 2PE4 HIS A 439 UNP Q12794 EXPRESSION TAG
SEQADV 2PE4 HIS A 440 UNP Q12794 EXPRESSION TAG
SEQADV 2PE4 HIS A 441 UNP Q12794 EXPRESSION TAG
SEQADV 2PE4 HIS A 442 UNP Q12794 EXPRESSION TAG
SEQADV 2PE4 HIS A 443 UNP Q12794 EXPRESSION TAG
SEQRES 1 A 424 ARG SER PHE ARG GLY PRO LEU LEU PRO ASN ARG PRO PHE
SEQRES 2 A 424 THR THR VAL TRP ASN ALA ASN THR GLN TRP CYS LEU GLU
SEQRES 3 A 424 ARG HIS GLY VAL ASP VAL ASP VAL SER VAL PHE ASP VAL
SEQRES 4 A 424 VAL ALA ASN PRO GLY GLN THR PHE ARG GLY PRO ASP MET
SEQRES 5 A 424 THR ILE PHE TYR SER SER GLN LEU GLY THR TYR PRO TYR
SEQRES 6 A 424 TYR THR PRO THR GLY GLU PRO VAL PHE GLY GLY LEU PRO
SEQRES 7 A 424 GLN ASN ALA SER LEU ILE ALA HIS LEU ALA ARG THR PHE
SEQRES 8 A 424 GLN ASP ILE LEU ALA ALA ILE PRO ALA PRO ASP PHE SER
SEQRES 9 A 424 GLY LEU ALA VAL ILE ASP TRP GLU ALA TRP ARG PRO ARG
SEQRES 10 A 424 TRP ALA PHE ASN TRP ASP THR LYS ASP ILE TYR ARG GLN
SEQRES 11 A 424 ARG SER ARG ALA LEU VAL GLN ALA GLN HIS PRO ASP TRP
SEQRES 12 A 424 PRO ALA PRO GLN VAL GLU ALA VAL ALA GLN ASP GLN PHE
SEQRES 13 A 424 GLN GLY ALA ALA ARG ALA TRP MET ALA GLY THR LEU GLN
SEQRES 14 A 424 LEU GLY ARG ALA LEU ARG PRO ARG GLY LEU TRP GLY PHE
SEQRES 15 A 424 TYR GLY PHE PRO ASP CYS TYR ASN TYR ASP PHE LEU SER
SEQRES 16 A 424 PRO ASN TYR THR GLY GLN CYS PRO SER GLY ILE ARG ALA
SEQRES 17 A 424 GLN ASN ASP GLN LEU GLY TRP LEU TRP GLY GLN SER ARG
SEQRES 18 A 424 ALA LEU TYR PRO SER ILE TYR MET PRO ALA VAL LEU GLU
SEQRES 19 A 424 GLY THR GLY LYS SER GLN MET TYR VAL GLN HIS ARG VAL
SEQRES 20 A 424 ALA GLU ALA PHE ARG VAL ALA VAL ALA ALA GLY ASP PRO
SEQRES 21 A 424 ASN LEU PRO VAL LEU PRO TYR VAL GLN ILE PHE TYR ASP
SEQRES 22 A 424 THR THR ASN HIS PHE LEU PRO LEU ASP GLU LEU GLU HIS
SEQRES 23 A 424 SER LEU GLY GLU SER ALA ALA GLN GLY ALA ALA GLY VAL
SEQRES 24 A 424 VAL LEU TRP VAL SER TRP GLU ASN THR ARG THR LYS GLU
SEQRES 25 A 424 SER CYS GLN ALA ILE LYS GLU TYR MET ASP THR THR LEU
SEQRES 26 A 424 GLY PRO PHE ILE LEU ASN VAL THR SER GLY ALA LEU LEU
SEQRES 27 A 424 CYS SER GLN ALA LEU CYS SER GLY HIS GLY ARG CYS VAL
SEQRES 28 A 424 ARG ARG THR SER HIS PRO LYS ALA LEU LEU LEU LEU ASN
SEQRES 29 A 424 PRO ALA SER PHE SER ILE GLN LEU THR PRO GLY GLY GLY
SEQRES 30 A 424 PRO LEU SER LEU ARG GLY ALA LEU SER LEU GLU ASP GLN
SEQRES 31 A 424 ALA GLN MET ALA VAL GLU PHE LYS CYS ARG CYS TYR PRO
SEQRES 32 A 424 GLY TRP GLN ALA PRO TRP CYS GLU ARG LYS SER MET TRP
SEQRES 33 A 424 THR GLY HIS HIS HIS HIS HIS HIS
MODRES 2PE4 ASN A 99 ASN GLYCOSYLATION SITE
MODRES 2PE4 ASN A 350 ASN GLYCOSYLATION SITE
HET NAG B 1 14
HET NAG B 2 14
HET BMA B 3 11
HET MAN B 4 11
HET MAN B 5 11
HET MAN B 6 11
HET NAG C 1 14
HET NAG C 2 14
HET ACT A 901 4
HET ACT A 902 4
HET ACT A 903 4
HET ACT A 904 4
HET ACT A 905 4
HET ACT A 906 4
HET ACT A 907 4
HET GOL A 601 6
HETNAM NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE
HETNAM BMA BETA-D-MANNOPYRANOSE
HETNAM MAN ALPHA-D-MANNOPYRANOSE
HETNAM ACT ACETATE ION
HETNAM GOL GLYCEROL
HETSYN NAG N-ACETYL-BETA-D-GLUCOSAMINE; 2-ACETAMIDO-2-DEOXY-BETA-
HETSYN 2 NAG D-GLUCOSE; 2-ACETAMIDO-2-DEOXY-D-GLUCOSE; 2-ACETAMIDO-
HETSYN 3 NAG 2-DEOXY-GLUCOSE; N-ACETYL-D-GLUCOSAMINE
HETSYN BMA BETA-D-MANNOSE; D-MANNOSE; MANNOSE
HETSYN MAN ALPHA-D-MANNOSE; D-MANNOSE; MANNOSE
HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL
FORMUL 2 NAG 4(C8 H15 N O6)
FORMUL 2 BMA C6 H12 O6
FORMUL 2 MAN 3(C6 H12 O6)
FORMUL 4 ACT 7(C2 H3 O2 1-)
FORMUL 11 GOL C3 H8 O3
FORMUL 12 HOH *335(H2 O)
HELIX 1 1 ASN A 39 GLY A 48 1 10
HELIX 2 2 LEU A 96 ALA A 100 5 5
HELIX 3 3 SER A 101 ILE A 117 1 17
HELIX 4 4 ARG A 136 ASN A 140 5 5
HELIX 5 5 TRP A 141 THR A 143 5 3
HELIX 6 6 LYS A 144 HIS A 159 1 16
HELIX 7 7 PRO A 163 ARG A 194 1 32
HELIX 8 8 PRO A 222 GLN A 231 1 10
HELIX 9 9 LEU A 232 SER A 239 1 8
HELIX 10 10 PRO A 249 GLU A 253 5 5
HELIX 11 11 LYS A 257 ALA A 276 1 20
HELIX 12 12 PRO A 299 HIS A 305 1 7
HELIX 13 13 SER A 306 GLN A 313 1 8
HELIX 14 14 SER A 323 THR A 327 5 5
HELIX 15 15 THR A 329 THR A 343 1 15
HELIX 16 16 THR A 343 CYS A 363 1 21
HELIX 17 17 PRO A 393 GLY A 396 5 4
HELIX 18 18 SER A 405 GLU A 415 1 11
SHEET 1 A 4 VAL A 58 VAL A 59 0
SHEET 2 A 4 THR A 33 ASN A 37 1 N TRP A 36 O VAL A 58
SHEET 3 A 4 GLY A 317 TRP A 321 1 O LEU A 320 N VAL A 35
SHEET 4 A 4 TYR A 286 VAL A 287 1 N VAL A 287 O VAL A 319
SHEET 1 B 3 MET A 71 PHE A 74 0
SHEET 2 B 3 LEU A 125 ILE A 128 1 O VAL A 127 N PHE A 74
SHEET 3 B 3 LEU A 198 PHE A 201 1 O GLY A 200 N ILE A 128
SHEET 1 C 2 TYR A 84 TYR A 85 0
SHEET 2 C 2 PRO A 91 VAL A 92 -1 O VAL A 92 N TYR A 84
SHEET 1 D 2 GLY A 367 ARG A 371 0
SHEET 2 D 2 PHE A 416 CYS A 420 -1 O ARG A 419 N ARG A 368
SHEET 1 E 2 PHE A 387 LEU A 391 0
SHEET 2 E 2 LEU A 398 GLY A 402 -1 O SER A 399 N GLN A 390
SSBOND 1 CYS A 43 CYS A 333 1555 1555 2.13
SSBOND 2 CYS A 207 CYS A 221 1555 1555 2.05
SSBOND 3 CYS A 358 CYS A 369 1555 1555 2.04
SSBOND 4 CYS A 363 CYS A 418 1555 1555 2.08
SSBOND 5 CYS A 420 CYS A 429 1555 1555 2.06
LINK ND2 ASN A 99 C1 NAG C 1 1555 1555 1.45
LINK ND2 ASN A 350 C1 NAG B 1 1555 1555 1.43
LINK O4 NAG B 1 C1 NAG B 2 1555 1555 1.43
LINK O4 NAG B 2 C1 BMA B 3 1555 1555 1.43
LINK O6 BMA B 3 C1 MAN B 4 1555 1555 1.43
LINK O3 BMA B 3 C1 MAN B 6 1555 1555 1.44
LINK O3 MAN B 4 C1 MAN B 5 1555 1555 1.45
LINK O4 NAG C 1 C1 NAG C 2 1555 1555 1.45
CISPEP 1 PHE A 204 PRO A 205 0 -9.08
CISPEP 2 ALA A 426 PRO A 427 0 2.03
CRYST1 92.050 92.050 143.810 90.00 90.00 120.00 P 32 2 1 6
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 0.010864 0.006272 -0.000001 0.00000
SCALE2 0.000000 0.012544 -0.000001 0.00000
SCALE3 0.000000 0.000000 0.006954 0.00000
ATOM 1 N ARG A 20 24.557 -38.438 -2.219 1.00 48.18 N
ATOM 2 CA ARG A 20 24.786 -38.383 -3.724 1.00 48.20 C
ATOM 3 C ARG A 20 26.209 -38.780 -4.233 1.00 46.86 C
ATOM 4 O ARG A 20 26.312 -39.492 -5.209 1.00 46.96 O
ATOM 5 CB ARG A 20 24.328 -37.035 -4.295 1.00 48.44 C
ATOM 6 CG ARG A 20 23.791 -37.076 -5.718 1.00 49.20 C
ATOM 7 CD ARG A 20 23.543 -35.655 -6.309 1.00 49.60 C
ATOM 8 NE ARG A 20 22.419 -34.974 -5.669 1.00 54.70 N
ATOM 9 CZ ARG A 20 22.453 -33.754 -5.107 1.00 55.47 C
ATOM 10 NH1 ARG A 20 23.558 -33.001 -5.109 1.00 52.88 N
ATOM 11 NH2 ARG A 20 21.345 -33.268 -4.550 1.00 55.28 N
ATOM 12 N SER A 21 27.281 -38.306 -3.583 1.00 45.68 N
ATOM 13 CA SER A 21 28.663 -38.666 -3.946 1.00 43.64 C
ATOM 14 C SER A 21 29.113 -39.741 -2.991 1.00 42.98 C
ATOM 15 O SER A 21 28.807 -39.631 -1.810 1.00 43.65 O
ATOM 16 CB SER A 21 29.618 -37.466 -3.846 1.00 43.49 C
ATOM 17 OG SER A 21 29.413 -36.523 -4.890 1.00 41.49 O
ATOM 18 N PHE A 22 29.822 -40.764 -3.483 1.00 41.35 N
ATOM 19 CA PHE A 22 30.314 -41.886 -2.644 1.00 40.87 C
ATOM 20 C PHE A 22 31.844 -42.145 -2.634 1.00 39.14 C
ATOM 21 O PHE A 22 32.290 -43.097 -1.991 1.00 39.49 O
ATOM 22 CB PHE A 22 29.550 -43.211 -2.938 1.00 41.87 C
ATOM 23 CG PHE A 22 28.062 -43.084 -2.760 1.00 44.68 C
ATOM 24 CD1 PHE A 22 27.255 -42.664 -3.815 1.00 46.93 C
ATOM 25 CD2 PHE A 22 27.468 -43.322 -1.516 1.00 49.07 C
ATOM 26 CE1 PHE A 22 25.864 -42.500 -3.642 1.00 50.21 C
ATOM 27 CE2 PHE A 22 26.069 -43.156 -1.328 1.00 50.25 C
ATOM 28 CZ PHE A 22 25.272 -42.759 -2.394 1.00 48.69 C
ATOM 29 N ARG A 23 32.643 -41.310 -3.304 1.00 37.42 N
ATOM 30 CA ARG A 23 34.124 -41.475 -3.274 1.00 35.41 C
ATOM 31 C ARG A 23 34.682 -41.112 -1.904 1.00 33.52 C
ATOM 32 O ARG A 23 34.218 -40.149 -1.272 1.00 32.60 O
ATOM 33 CB ARG A 23 34.840 -40.602 -4.306 1.00 34.82 C
ATOM 34 CG ARG A 23 34.507 -40.868 -5.769 1.00 36.72 C
ATOM 35 CD ARG A 23 35.281 -42.023 -6.311 1.00 34.04 C
ATOM 36 NE ARG A 23 36.701 -41.752 -6.607 1.00 32.95 N
ATOM 37 CZ ARG A 23 37.159 -41.322 -7.785 1.00 31.45 C
ATOM 38 NH1 ARG A 23 36.320 -41.032 -8.787 1.00 29.40 N
ATOM 39 NH2 ARG A 23 38.457 -41.184 -7.965 1.00 29.81 N
ATOM 40 N GLY A 24 35.675 -41.882 -1.462 1.00 32.45 N
ATOM 41 CA GLY A 24 36.457 -41.533 -0.243 1.00 30.59 C
ATOM 42 C GLY A 24 37.606 -40.711 -0.785 1.00 29.05 C
ATOM 43 O GLY A 24 37.373 -39.795 -1.608 1.00 28.41 O
ATOM 44 N PRO A 25 38.847 -41.123 -0.459 1.00 27.29 N
ATOM 45 CA PRO A 25 39.988 -40.391 -0.958 1.00 26.77 C
ATOM 46 C PRO A 25 40.026 -40.621 -2.472 1.00 27.12 C
ATOM 47 O PRO A 25 39.678 -41.717 -2.913 1.00 27.40 O
ATOM 48 CB PRO A 25 41.150 -41.027 -0.223 1.00 25.71 C
ATOM 49 CG PRO A 25 40.671 -42.497 0.012 1.00 26.93 C
ATOM 50 CD PRO A 25 39.215 -42.355 0.262 1.00 25.99 C
ATOM 51 N LEU A 26 40.384 -39.606 -3.271 1.00 27.44 N
ATOM 52 CA LEU A 26 40.243 -39.739 -4.739 1.00 27.91 C
ATOM 53 C LEU A 26 41.261 -40.703 -5.290 1.00 27.85 C
ATOM 54 O LEU A 26 40.986 -41.338 -6.288 1.00 28.26 O
ATOM 55 CB LEU A 26 40.317 -38.409 -5.473 1.00 28.10 C
ATOM 56 CG LEU A 26 39.195 -37.470 -5.059 1.00 29.70 C
ATOM 57 CD1 LEU A 26 39.399 -36.233 -5.857 1.00 28.47 C
ATOM 58 CD2 LEU A 26 37.846 -38.185 -5.401 1.00 30.41 C
ATOM 59 N LEU A 27 42.404 -40.813 -4.603 1.00 26.97 N
ATOM 60 CA LEU A 27 43.457 -41.807 -4.855 1.00 26.97 C
ATOM 61 C LEU A 27 43.792 -42.472 -3.512 1.00 28.03 C
ATOM 62 O LEU A 27 43.620 -41.849 -2.480 1.00 28.22 O
ATOM 63 CB LEU A 27 44.711 -41.127 -5.451 1.00 25.97 C
ATOM 64 CG LEU A 27 44.565 -40.636 -6.900 1.00 27.44 C
ATOM 65 CD1 LEU A 27 45.740 -39.801 -7.176 1.00 28.13 C
ATOM 66 CD2 LEU A 27 44.537 -41.855 -7.934 1.00 25.49 C
ATOM 67 N PRO A 28 44.253 -43.745 -3.518 1.00 28.74 N
ATOM 68 CA PRO A 28 44.600 -44.412 -2.270 1.00 28.36 C
ATOM 69 C PRO A 28 45.519 -43.601 -1.375 1.00 28.71 C
ATOM 70 O PRO A 28 46.501 -43.040 -1.868 1.00 29.38 O
ATOM 71 CB PRO A 28 45.322 -45.674 -2.740 1.00 27.57 C
ATOM 72 CG PRO A 28 44.648 -45.988 -4.064 1.00 29.32 C
ATOM 73 CD PRO A 28 44.417 -44.642 -4.689 1.00 28.85 C
ATOM 74 N ASN A 29 45.222 -43.558 -0.067 1.00 28.73 N
ATOM 75 CA ASN A 29 46.080 -42.850 0.892 1.00 28.57 C
ATOM 76 C ASN A 29 46.230 -41.390 0.548 1.00 27.55 C
ATOM 77 O ASN A 29 47.271 -40.780 0.828 1.00 28.63 O
ATOM 78 CB ASN A 29 47.464 -43.497 0.951 1.00 28.36 C
ATOM 79 CG ASN A 29 47.411 -44.950 1.380 1.00 33.90 C
ATOM 80 OD1 ASN A 29 46.644 -45.316 2.269 1.00 35.47 O
ATOM 81 ND2 ASN A 29 48.228 -45.782 0.747 1.00 20.00 N
ATOM 82 N ARG A 30 45.210 -40.814 -0.066 1.00 26.79 N
ATOM 83 CA ARG A 30 45.295 -39.385 -0.421 1.00 26.77 C
ATOM 84 C ARG A 30 44.019 -38.677 -0.094 1.00 25.83 C
ATOM 85 O ARG A 30 43.202 -38.432 -0.980 1.00 26.88 O
ATOM 86 CB ARG A 30 45.647 -39.204 -1.897 1.00 26.38 C
ATOM 87 CG ARG A 30 47.060 -39.646 -2.250 1.00 26.12 C
ATOM 88 CD ARG A 30 48.053 -38.606 -1.721 1.00 30.72 C
ATOM 89 NE ARG A 30 49.424 -38.967 -2.065 1.00 28.87 N
ATOM 90 CZ ARG A 30 50.173 -39.831 -1.375 1.00 33.17 C
ATOM 91 NH1 ARG A 30 49.713 -40.397 -0.236 1.00 31.06 N
ATOM 92 NH2 ARG A 30 51.394 -40.124 -1.833 1.00 30.36 N
ATOM 93 N PRO A 31 43.848 -38.319 1.184 1.00 25.56 N
ATOM 94 CA PRO A 31 42.715 -37.415 1.522 1.00 24.23 C
ATOM 95 C PRO A 31 42.847 -36.076 0.778 1.00 24.26 C
ATOM 96 O PRO A 31 41.838 -35.487 0.416 1.00 23.95 O
ATOM 97 CB PRO A 31 42.837 -37.212 3.054 1.00 22.01 C
ATOM 98 CG PRO A 31 44.279 -37.618 3.404 1.00 22.47 C
ATOM 99 CD PRO A 31 44.677 -38.670 2.371 1.00 24.86 C
ATOM 100 N PHE A 32 44.086 -35.658 0.509 1.00 23.56 N
ATOM 101 CA PHE A 32 44.361 -34.418 -0.209 1.00 23.06 C
ATOM 102 C PHE A 32 45.276 -34.814 -1.383 1.00 24.02 C
ATOM 103 O PHE A 32 46.416 -35.254 -1.187 1.00 23.62 O
ATOM 104 CB PHE A 32 45.084 -33.397 0.680 1.00 21.41 C
ATOM 105 CG PHE A 32 45.301 -32.024 0.010 1.00 20.64 C
ATOM 106 CD1 PHE A 32 44.230 -31.173 -0.219 1.00 17.31 C
ATOM 107 CD2 PHE A 32 46.586 -31.589 -0.347 1.00 18.27 C
ATOM 108 CE1 PHE A 32 44.420 -29.903 -0.782 1.00 17.56 C
ATOM 109 CE2 PHE A 32 46.784 -30.326 -0.937 1.00 16.14 C
ATOM 110 CZ PHE A 32 45.697 -29.471 -1.127 1.00 17.26 C
ATOM 111 N THR A 33 44.732 -34.691 -2.589 1.00 24.39 N
ATOM 112 CA THR A 33 45.358 -35.140 -3.830 1.00 25.94 C
ATOM 113 C THR A 33 45.951 -33.883 -4.574 1.00 26.33 C
ATOM 114 O THR A 33 45.384 -32.757 -4.480 1.00 27.87 O
ATOM 115 CB THR A 33 44.257 -35.873 -4.667 1.00 26.05 C
ATOM 116 OG1 THR A 33 44.205 -37.265 -4.276 1.00 26.99 O
ATOM 117 CG2 THR A 33 44.608 -35.915 -6.098 1.00 32.24 C
ATOM 118 N THR A 34 47.077 -34.005 -5.283 1.00 24.66 N
ATOM 119 CA THR A 34 47.493 -32.829 -6.033 1.00 24.49 C
ATOM 120 C THR A 34 47.622 -33.128 -7.521 1.00 24.22 C
ATOM 121 O THR A 34 48.134 -34.151 -7.905 1.00 25.21 O
ATOM 122 CB THR A 34 48.820 -32.244 -5.511 1.00 24.21 C
ATOM 123 OG1 THR A 34 49.794 -33.298 -5.561 1.00 24.23 O
ATOM 124 CG2 THR A 34 48.662 -31.729 -4.045 1.00 23.00 C
ATOM 125 N VAL A 35 47.154 -32.204 -8.345 1.00 24.68 N
ATOM 126 CA VAL A 35 47.255 -32.323 -9.793 1.00 24.61 C
ATOM 127 C VAL A 35 48.114 -31.147 -10.285 1.00 24.95 C
ATOM 128 O VAL A 35 47.745 -29.960 -10.119 1.00 24.83 O
ATOM 129 CB VAL A 35 45.862 -32.259 -10.482 1.00 24.59 C
ATOM 130 CG1 VAL A 35 45.997 -32.380 -12.030 1.00 22.21 C
ATOM 131 CG2 VAL A 35 44.905 -33.331 -9.917 1.00 24.01 C
ATOM 132 N TRP A 36 49.261 -31.491 -10.867 1.00 24.54 N
ATOM 133 CA TRP A 36 50.115 -30.529 -11.527 1.00 24.36 C
ATOM 134 C TRP A 36 49.609 -30.352 -12.971 1.00 25.20 C
ATOM 135 O TRP A 36 49.858 -31.211 -13.841 1.00 24.00 O
ATOM 136 CB TRP A 36 51.529 -31.073 -11.539 1.00 24.81 C
ATOM 137 CG TRP A 36 52.619 -30.154 -12.137 1.00 24.77 C
ATOM 138 CD1 TRP A 36 53.397 -30.432 -13.206 1.00 25.29 C
ATOM 139 CD2 TRP A 36 53.051 -28.873 -11.645 1.00 25.29 C
ATOM 140 NE1 TRP A 36 54.287 -29.409 -13.431 1.00 26.26 N
ATOM 141 CE2 TRP A 36 54.103 -28.439 -12.486 1.00 25.94 C
ATOM 142 CE3 TRP A 36 52.621 -28.023 -10.592 1.00 24.39 C
ATOM 143 CZ2 TRP A 36 54.760 -27.196 -12.308 1.00 26.55 C
ATOM 144 CZ3 TRP A 36 53.258 -26.794 -10.422 1.00 22.83 C
ATOM 145 CH2 TRP A 36 54.324 -26.396 -11.262 1.00 25.20 C
ATOM 146 N ASN A 37 48.928 -29.230 -13.221 1.00 25.43 N
ATOM 147 CA ASN A 37 48.305 -28.938 -14.533 1.00 25.97 C
ATOM 148 C ASN A 37 49.146 -27.856 -15.247 1.00 25.93 C
ATOM 149 O ASN A 37 48.757 -26.690 -15.360 1.00 25.94 O
ATOM 150 CB ASN A 37 46.861 -28.487 -14.270 1.00 25.39 C
ATOM 151 CG ASN A 37 46.041 -28.314 -15.503 1.00 29.98 C
ATOM 152 OD1 ASN A 37 45.161 -27.448 -15.501 1.00 31.12 O
ATOM 153 ND2 ASN A 37 46.276 -29.153 -16.571 1.00 26.61 N
ATOM 154 N ALA A 38 50.327 -28.280 -15.682 1.00 25.48 N
ATOM 155 CA ALA A 38 51.375 -27.444 -16.195 1.00 26.26 C
ATOM 156 C ALA A 38 52.031 -28.104 -17.416 1.00 27.29 C
ATOM 157 O ALA A 38 52.160 -29.350 -17.480 1.00 26.94 O
ATOM 158 CB ALA A 38 52.420 -27.188 -15.171 1.00 26.17 C
ATOM 159 N ASN A 39 52.429 -27.265 -18.375 1.00 25.98 N
ATOM 160 CA ASN A 39 53.198 -27.789 -19.520 1.00 27.80 C
ATOM 161 C ASN A 39 54.683 -27.753 -19.257 1.00 28.04 C
ATOM 162 O ASN A 39 55.454 -27.051 -19.969 1.00 29.08 O
ATOM 163 CB ASN A 39 52.863 -27.004 -20.784 1.00 27.05 C
ATOM 164 CG ASN A 39 53.139 -27.786 -22.046 1.00 28.18 C
ATOM 165 OD1 ASN A 39 53.772 -28.857 -22.033 1.00 25.95 O
ATOM 166 ND2 ASN A 39 52.640 -27.257 -23.154 1.00 25.80 N
ATOM 167 N THR A 40 55.094 -28.483 -18.215 1.00 27.95 N
ATOM 168 CA THR A 40 56.503 -28.618 -17.906 1.00 27.76 C
ATOM 169 C THR A 40 57.219 -29.587 -18.861 1.00 28.62 C
ATOM 170 O THR A 40 58.453 -29.557 -18.967 1.00 28.56 O
ATOM 171 CB THR A 40 56.772 -28.914 -16.399 1.00 27.96 C
ATOM 172 OG1 THR A 40 55.817 -29.846 -15.895 1.00 26.86 O
ATOM 173 CG2 THR A 40 56.731 -27.628 -15.605 1.00 25.28 C
ATOM 174 N GLN A 41 56.431 -30.402 -19.568 1.00 28.94 N
ATOM 175 CA GLN A 41 56.883 -31.222 -20.684 1.00 31.05 C
ATOM 176 C GLN A 41 57.539 -30.369 -21.780 1.00 29.13 C
ATOM 177 O GLN A 41 58.549 -30.758 -22.348 1.00 28.35 O
ATOM 178 CB GLN A 41 55.689 -31.984 -21.264 1.00 31.14 C
ATOM 179 CG GLN A 41 56.001 -33.040 -22.312 1.00 35.82 C
ATOM 180 CD GLN A 41 54.701 -33.700 -22.913 1.00 38.61 C
ATOM 181 OE1 GLN A 41 53.632 -33.836 -22.219 1.00 45.48 O
ATOM 182 NE2 GLN A 41 54.803 -34.136 -24.194 1.00 41.85 N
ATOM 183 N TRP A 42 56.958 -29.199 -22.046 1.00 27.94 N
ATOM 184 CA TRP A 42 57.556 -28.210 -22.934 1.00 26.61 C
ATOM 185 C TRP A 42 58.907 -27.664 -22.404 1.00 26.76 C
ATOM 186 O TRP A 42 59.859 -27.535 -23.172 1.00 26.25 O
ATOM 187 CB TRP A 42 56.579 -27.077 -23.185 1.00 25.04 C
ATOM 188 CG TRP A 42 57.152 -25.914 -23.963 1.00 27.45 C
ATOM 189 CD1 TRP A 42 57.604 -24.711 -23.459 1.00 26.57 C
ATOM 190 CD2 TRP A 42 57.311 -25.823 -25.397 1.00 26.83 C
ATOM 191 NE1 TRP A 42 58.004 -23.887 -24.485 1.00 25.93 N
ATOM 192 CE2 TRP A 42 57.837 -24.537 -25.680 1.00 26.19 C
ATOM 193 CE3 TRP A 42 57.042 -26.690 -26.455 1.00 25.73 C
ATOM 194 CZ2 TRP A 42 58.090 -24.093 -26.995 1.00 27.82 C
ATOM 195 CZ3 TRP A 42 57.308 -26.247 -27.779 1.00 26.97 C
ATOM 196 CH2 TRP A 42 57.822 -24.958 -28.027 1.00 25.96 C
ATOM 197 N CYS A 43 58.982 -27.338 -21.111 1.00 26.34 N
ATOM 198 CA CYS A 43 60.214 -26.889 -20.494 1.00 27.91 C
ATOM 199 C CYS A 43 61.351 -27.852 -20.827 1.00 27.85 C
ATOM 200 O CYS A 43 62.497 -27.445 -21.051 1.00 27.32 O
ATOM 201 CB CYS A 43 60.052 -26.806 -18.965 1.00 28.02 C
ATOM 202 SG CYS A 43 58.975 -25.450 -18.459 1.00 31.50 S
ATOM 203 N LEU A 44 61.017 -29.133 -20.831 1.00 28.55 N
ATOM 204 CA LEU A 44 62.007 -30.175 -21.025 1.00 29.56 C
ATOM 205 C LEU A 44 62.340 -30.348 -22.524 1.00 29.29 C
ATOM 206 O LEU A 44 63.497 -30.315 -22.894 1.00 29.16 O
ATOM 207 CB LEU A 44 61.564 -31.503 -20.370 1.00 28.63 C
ATOM 208 CG LEU A 44 62.579 -32.661 -20.501 1.00 30.41 C
ATOM 209 CD1 LEU A 44 63.917 -32.328 -19.853 1.00 28.27 C
ATOM 210 CD2 LEU A 44 62.048 -33.965 -19.925 1.00 30.94 C
ATOM 211 N GLU A 45 61.313 -30.509 -23.351 1.00 29.54 N
ATOM 212 CA GLU A 45 61.467 -30.789 -24.777 1.00 31.61 C
ATOM 213 C GLU A 45 61.999 -29.583 -25.570 1.00 30.61 C
ATOM 214 O GLU A 45 62.800 -29.745 -26.478 1.00 30.17 O
ATOM 215 CB GLU A 45 60.132 -31.299 -25.374 1.00 31.32 C
ATOM 216 CG GLU A 45 59.681 -32.631 -24.768 1.00 33.44 C
ATOM 217 CD GLU A 45 58.409 -33.207 -25.400 1.00 35.35 C
ATOM 218 OE1 GLU A 45 57.720 -32.509 -26.217 1.00 44.91 O
ATOM 219 OE2 GLU A 45 58.088 -34.382 -25.067 1.00 37.49 O
ATOM 220 N ARG A 46 61.560 -28.380 -25.201 1.00 29.99 N
ATOM 221 CA ARG A 46 61.988 -27.202 -25.885 1.00 29.15 C
ATOM 222 C ARG A 46 63.293 -26.690 -25.348 1.00 29.66 C
ATOM 223 O ARG A 46 64.183 -26.383 -26.125 1.00 30.21 O
ATOM 224 CB ARG A 46 60.955 -26.104 -25.828 1.00 27.64 C
ATOM 225 CG ARG A 46 61.402 -24.869 -26.595 1.00 29.45 C
ATOM 226 CD ARG A 46 61.357 -25.078 -28.104 1.00 28.56 C
ATOM 227 NE ARG A 46 61.311 -23.808 -28.823 1.00 27.75 N
ATOM 228 CZ ARG A 46 61.120 -23.680 -30.133 1.00 27.68 C
ATOM 229 NH1 ARG A 46 60.921 -24.752 -30.895 1.00 26.61 N
ATOM 230 NH2 ARG A 46 61.089 -22.469 -30.683 1.00 26.58 N
ATOM 231 N HIS A 47 63.397 -26.581 -24.025 1.00 29.43 N
ATOM 232 CA HIS A 47 64.506 -25.880 -23.395 1.00 29.32 C
ATOM 233 C HIS A 47 65.494 -26.761 -22.631 1.00 29.50 C
ATOM 234 O HIS A 47 66.472 -26.239 -22.118 1.00 29.76 O
ATOM 235 CB HIS A 47 63.992 -24.779 -22.447 1.00 29.21 C
ATOM 236 CG HIS A 47 63.057 -23.789 -23.079 1.00 29.08 C
ATOM 237 ND1 HIS A 47 63.427 -22.963 -24.123 1.00 30.49 N
ATOM 238 CD2 HIS A 47 61.777 -23.460 -22.779 1.00 29.10 C
ATOM 239 CE1 HIS A 47 62.400 -22.205 -24.470 1.00 29.24 C
ATOM 240 NE2 HIS A 47 61.388 -22.484 -23.670 1.00 31.68 N
ATOM 241 N GLY A 48 65.258 -28.069 -22.533 1.00 29.55 N
ATOM 242 CA GLY A 48 66.128 -28.955 -21.733 1.00 29.76 C
ATOM 243 C GLY A 48 66.074 -28.715 -20.213 1.00 31.51 C
ATOM 244 O GLY A 48 66.948 -29.184 -19.448 1.00 31.25 O
ATOM 245 N VAL A 49 65.064 -27.981 -19.759 1.00 31.78 N
ATOM 246 CA VAL A 49 64.900 -27.731 -18.326 1.00 32.71 C
ATOM 247 C VAL A 49 64.003 -28.821 -17.771 1.00 33.38 C
ATOM 248 O VAL A 49 62.835 -29.000 -18.196 1.00 33.20 O
ATOM 249 CB VAL A 49 64.308 -26.319 -18.013 1.00 33.05 C
ATOM 250 CG1 VAL A 49 64.324 -26.075 -16.513 1.00 32.32 C
ATOM 251 CG2 VAL A 49 65.101 -25.195 -18.766 1.00 32.16 C
ATOM 252 N ASP A 50 64.543 -29.552 -16.814 1.00 33.30 N
ATOM 253 CA ASP A 50 63.833 -30.695 -16.283 1.00 34.31 C
ATOM 254 C ASP A 50 63.244 -30.330 -14.925 1.00 32.79 C
ATOM 255 O ASP A 50 63.941 -30.378 -13.929 1.00 32.75 O
ATOM 256 CB ASP A 50 64.776 -31.907 -16.162 1.00 34.96 C
ATOM 257 CG ASP A 50 64.046 -33.179 -15.690 1.00 38.73 C
ATOM 258 OD1 ASP A 50 62.834 -33.113 -15.350 1.00 40.34 O
ATOM 259 OD2 ASP A 50 64.687 -34.249 -15.653 1.00 41.88 O
ATOM 260 N VAL A 51 61.961 -29.955 -14.898 1.00 32.69 N
ATOM 261 CA VAL A 51 61.266 -29.662 -13.637 1.00 30.88 C
ATOM 262 C VAL A 51 60.832 -30.995 -12.991 1.00 30.87 C
ATOM 263 O VAL A 51 60.195 -31.822 -13.630 1.00 31.04 O
ATOM 264 CB VAL A 51 60.073 -28.697 -13.839 1.00 31.29 C
ATOM 265 CG1 VAL A 51 59.334 -28.397 -12.496 1.00 28.08 C
ATOM 266 CG2 VAL A 51 60.527 -27.376 -14.554 1.00 29.99 C
ATOM 267 N ASP A 52 61.192 -31.202 -11.734 1.00 30.43 N
ATOM 268 CA ASP A 52 60.808 -32.417 -10.994 1.00 30.48 C
ATOM 269 C ASP A 52 59.326 -32.336 -10.634 1.00 29.96 C
ATOM 270 O ASP A 52 58.909 -31.426 -9.936 1.00 30.57 O
ATOM 271 CB ASP A 52 61.667 -32.500 -9.725 1.00 30.92 C
ATOM 272 CG ASP A 52 61.432 -33.777 -8.882 1.00 32.84 C
ATOM 273 OD1 ASP A 52 60.840 -34.777 -9.308 1.00 35.63 O
ATOM 274 OD2 ASP A 52 61.899 -33.786 -7.724 1.00 44.04 O
ATOM 275 N VAL A 53 58.538 -33.294 -11.107 1.00 29.31 N
ATOM 276 CA VAL A 53 57.107 -33.318 -10.901 1.00 28.46 C
ATOM 277 C VAL A 53 56.694 -34.619 -10.165 1.00 28.50 C
ATOM 278 O VAL A 53 55.511 -34.991 -10.139 1.00 28.08 O
ATOM 279 CB VAL A 53 56.305 -33.148 -12.272 1.00 29.36 C
ATOM 280 CG1 VAL A 53 56.503 -31.748 -12.876 1.00 28.87 C
ATOM 281 CG2 VAL A 53 56.649 -34.244 -13.316 1.00 27.80 C
ATOM 282 N SER A 54 57.670 -35.324 -9.600 1.00 27.75 N
ATOM 283 CA SER A 54 57.416 -36.600 -8.915 1.00 28.03 C
ATOM 284 C SER A 54 56.621 -36.420 -7.616 1.00 27.99 C
ATOM 285 O SER A 54 56.013 -37.361 -7.120 1.00 29.44 O
ATOM 286 CB SER A 54 58.745 -37.311 -8.620 1.00 28.67 C
ATOM 287 OG SER A 54 59.596 -36.525 -7.790 1.00 28.43 O
ATOM 288 N VAL A 55 56.618 -35.224 -7.043 1.00 27.62 N
ATOM 289 CA VAL A 55 55.920 -35.052 -5.780 1.00 27.51 C
ATOM 290 C VAL A 55 54.375 -35.069 -5.968 1.00 27.49 C
ATOM 291 O VAL A 55 53.627 -35.365 -5.033 1.00 26.61 O
ATOM 292 CB VAL A 55 56.390 -33.790 -5.049 1.00 27.71 C
ATOM 293 CG1 VAL A 55 55.755 -32.538 -5.652 1.00 26.58 C
ATOM 294 CG2 VAL A 55 56.065 -33.909 -3.592 1.00 27.26 C
ATOM 295 N PHE A 56 53.901 -34.796 -7.184 1.00 26.22 N
ATOM 296 CA PHE A 56 52.461 -34.707 -7.415 1.00 25.77 C
ATOM 297 C PHE A 56 51.799 -36.073 -7.591 1.00 26.07 C
ATOM 298 O PHE A 56 52.436 -37.003 -7.997 1.00 26.39 O
ATOM 299 CB PHE A 56 52.217 -33.801 -8.613 1.00 25.05 C
ATOM 300 CG PHE A 56 52.816 -32.427 -8.435 1.00 26.71 C
ATOM 301 CD1 PHE A 56 54.041 -32.095 -9.035 1.00 23.08 C
ATOM 302 CD2 PHE A 56 52.176 -31.470 -7.626 1.00 27.57 C
ATOM 303 CE1 PHE A 56 54.587 -30.851 -8.875 1.00 21.11 C
ATOM 304 CE2 PHE A 56 52.739 -30.198 -7.445 1.00 27.07 C
ATOM 305 CZ PHE A 56 53.940 -29.891 -8.069 1.00 24.91 C
ATOM 306 N ASP A 57 50.499 -36.165 -7.330 1.00 26.90 N
ATOM 307 CA ASP A 57 49.786 -37.416 -7.528 1.00 25.92 C
ATOM 308 C ASP A 57 49.475 -37.573 -9.023 1.00 25.64 C
ATOM 309 O ASP A 57 49.485 -38.663 -9.521 1.00 23.95 O
ATOM 310 CB ASP A 57 48.510 -37.447 -6.678 1.00 24.96 C
ATOM 311 CG ASP A 57 48.817 -37.367 -5.188 1.00 26.75 C
ATOM 312 OD1 ASP A 57 49.572 -38.211 -4.667 1.00 31.36 O
ATOM 313 OD2 ASP A 57 48.339 -36.451 -4.528 1.00 26.73 O
ATOM 314 N VAL A 58 49.206 -36.444 -9.700 1.00 25.84 N
ATOM 315 CA VAL A 58 48.792 -36.411 -11.100 1.00 25.15 C
ATOM 316 C VAL A 58 49.537 -35.272 -11.769 1.00 26.17 C
ATOM 317 O VAL A 58 49.671 -34.153 -11.205 1.00 24.79 O
ATOM 318 CB VAL A 58 47.215 -36.223 -11.260 1.00 25.69 C
ATOM 319 CG1 VAL A 58 46.745 -36.248 -12.729 1.00 24.08 C
ATOM 320 CG2 VAL A 58 46.459 -37.294 -10.465 1.00 24.63 C
ATOM 321 N VAL A 59 50.051 -35.571 -12.969 1.00 27.77 N
ATOM 322 CA VAL A 59 50.540 -34.553 -13.912 1.00 28.06 C
ATOM 323 C VAL A 59 49.593 -34.540 -15.107 1.00 28.92 C
ATOM 324 O VAL A 59 49.380 -35.558 -15.743 1.00 28.02 O
ATOM 325 CB VAL A 59 51.962 -34.866 -14.420 1.00 28.73 C
ATOM 326 CG1 VAL A 59 52.380 -33.818 -15.507 1.00 27.80 C
ATOM 327 CG2 VAL A 59 52.956 -34.886 -13.233 1.00 28.94 C
ATOM 328 N ALA A 60 49.017 -33.378 -15.402 1.00 29.19 N
ATOM 329 CA ALA A 60 48.095 -33.287 -16.466 1.00 29.87 C
ATOM 330 C ALA A 60 48.473 -32.087 -17.302 1.00 30.50 C
ATOM 331 O ALA A 60 48.128 -30.958 -16.977 1.00 31.05 O
ATOM 332 CB ALA A 60 46.654 -33.172 -15.948 1.00 28.87 C
ATOM 333 N ASN A 61 49.121 -32.354 -18.421 1.00 30.97 N
ATOM 334 CA ASN A 61 49.475 -31.299 -19.367 1.00 33.09 C
ATOM 335 C ASN A 61 48.263 -30.520 -19.898 1.00 32.36 C
ATOM 336 O ASN A 61 47.386 -31.125 -20.507 1.00 33.00 O
ATOM 337 CB ASN A 61 50.203 -31.920 -20.566 1.00 34.22 C
ATOM 338 CG ASN A 61 51.025 -30.922 -21.302 1.00 36.83 C
ATOM 339 OD1 ASN A 61 50.656 -29.737 -21.390 1.00 39.49 O
ATOM 340 ND2 ASN A 61 52.154 -31.374 -21.845 1.00 38.27 N
ATOM 341 N PRO A 62 48.207 -29.185 -19.683 1.00 31.86 N
ATOM 342 CA PRO A 62 47.097 -28.403 -20.228 1.00 32.45 C
ATOM 343 C PRO A 62 47.120 -28.348 -21.772 1.00 32.71 C
ATOM 344 O PRO A 62 46.102 -27.961 -22.406 1.00 32.58 O
ATOM 345 CB PRO A 62 47.323 -26.987 -19.658 1.00 33.19 C
ATOM 346 CG PRO A 62 48.475 -27.023 -18.839 1.00 30.43 C
ATOM 347 CD PRO A 62 49.173 -28.336 -18.979 1.00 32.44 C
ATOM 348 N GLY A 63 48.265 -28.742 -22.345 1.00 32.85 N
ATOM 349 CA GLY A 63 48.450 -28.882 -23.782 1.00 34.03 C
ATOM 350 C GLY A 63 47.799 -30.132 -24.342 1.00 35.50 C
ATOM 351 O GLY A 63 47.670 -30.279 -25.575 1.00 34.99 O
ATOM 352 N GLN A 64 47.339 -31.014 -23.439 1.00 36.46 N
ATOM 353 CA GLN A 64 46.517 -32.169 -23.799 1.00 37.58 C
ATOM 354 C GLN A 64 47.263 -33.067 -24.792 1.00 39.29 C
ATOM 355 O GLN A 64 46.873 -33.255 -25.972 1.00 38.96 O
ATOM 356 CB GLN A 64 45.137 -31.735 -24.337 1.00 37.31 C
ATOM 357 CG GLN A 64 44.229 -31.078 -23.290 1.00 36.51 C
ATOM 358 CD GLN A 64 42.999 -30.483 -23.930 1.00 37.50 C
ATOM 359 OE1 GLN A 64 43.077 -29.848 -25.004 1.00 35.79 O
ATOM 360 NE2 GLN A 64 41.844 -30.687 -23.292 1.00 34.99 N
ATOM 361 N THR A 65 48.368 -33.593 -24.293 1.00 41.20 N
ATOM 362 CA THR A 65 49.271 -34.413 -25.077 1.00 44.13 C
ATOM 363 C THR A 65 48.860 -35.880 -25.026 1.00 45.67 C
ATOM 364 O THR A 65 48.990 -36.581 -26.003 1.00 46.70 O
ATOM 365 CB THR A 65 50.687 -34.230 -24.564 1.00 43.91 C
ATOM 366 OG1 THR A 65 50.691 -34.439 -23.139 1.00 46.98 O
ATOM 367 CG2 THR A 65 51.123 -32.818 -24.821 1.00 43.20 C
ATOM 368 N PHE A 66 48.357 -36.341 -23.877 1.00 48.29 N
ATOM 369 CA PHE A 66 47.853 -37.727 -23.740 1.00 49.48 C
ATOM 370 C PHE A 66 46.457 -37.697 -23.108 1.00 49.13 C
ATOM 371 O PHE A 66 46.114 -36.737 -22.400 1.00 49.02 O
ATOM 372 CB PHE A 66 48.793 -38.563 -22.849 1.00 50.87 C
ATOM 373 CG PHE A 66 50.254 -38.427 -23.189 1.00 53.77 C
ATOM 374 CD1 PHE A 66 51.097 -37.625 -22.396 1.00 56.93 C
ATOM 375 CD2 PHE A 66 50.803 -39.097 -24.306 1.00 56.32 C
ATOM 376 CE1 PHE A 66 52.488 -37.491 -22.717 1.00 58.29 C
ATOM 377 CE2 PHE A 66 52.179 -38.972 -24.634 1.00 56.82 C
ATOM 378 CZ PHE A 66 53.017 -38.167 -23.844 1.00 55.44 C
ATOM 379 N ARG A 67 45.666 -38.743 -23.360 1.00 48.13 N
ATOM 380 CA ARG A 67 44.370 -38.924 -22.682 1.00 47.62 C
ATOM 381 C ARG A 67 44.409 -39.937 -21.515 1.00 46.01 C
ATOM 382 O ARG A 67 44.266 -41.136 -21.754 1.00 47.51 O
ATOM 383 CB ARG A 67 43.311 -39.355 -23.684 1.00 47.50 C
ATOM 384 CG ARG A 67 42.990 -38.258 -24.689 1.00 50.96 C
ATOM 385 CD ARG A 67 41.622 -38.491 -25.283 1.00 54.89 C
ATOM 386 NE ARG A 67 41.601 -39.800 -25.902 1.00 54.80 N
ATOM 387 CZ ARG A 67 41.641 -39.992 -27.209 1.00 56.94 C
ATOM 388 NH1 ARG A 67 41.636 -38.939 -28.030 1.00 55.00 N
ATOM 389 NH2 ARG A 67 41.647 -41.241 -27.686 1.00 58.26 N
ATOM 390 N GLY A 68 44.538 -39.461 -20.279 1.00 42.52 N
ATOM 391 CA GLY A 68 44.754 -40.343 -19.118 1.00 39.50 C
ATOM 392 C GLY A 68 43.560 -40.592 -18.198 1.00 37.48 C
ATOM 393 O GLY A 68 42.483 -40.011 -18.394 1.00 36.98 O
ATOM 394 N PRO A 69 43.738 -41.472 -17.183 1.00 35.82 N
ATOM 395 CA PRO A 69 42.645 -41.882 -16.297 1.00 34.74 C
ATOM 396 C PRO A 69 42.260 -40.890 -15.177 1.00 33.56 C
ATOM 397 O PRO A 69 41.220 -41.057 -14.515 1.00 32.11 O
ATOM 398 CB PRO A 69 43.180 -43.189 -15.678 1.00 35.33 C
ATOM 399 CG PRO A 69 44.692 -42.972 -15.604 1.00 35.76 C
ATOM 400 CD PRO A 69 45.015 -42.148 -16.848 1.00 35.53 C
ATOM 401 N ASP A 70 43.077 -39.866 -14.988 1.00 31.94 N
ATOM 402 CA ASP A 70 42.974 -39.019 -13.811 1.00 31.30 C
ATOM 403 C ASP A 70 42.395 -37.627 -14.070 1.00 30.59 C
ATOM 404 O ASP A 70 41.877 -37.000 -13.136 1.00 30.41 O
ATOM 405 CB ASP A 70 44.356 -38.869 -13.173 1.00 31.88 C
ATOM 406 CG ASP A 70 44.848 -40.147 -12.539 1.00 33.14 C
ATOM 407 OD1 ASP A 70 44.074 -40.785 -11.784 1.00 31.94 O
ATOM 408 OD2 ASP A 70 46.030 -40.490 -12.777 1.00 35.83 O
ATOM 409 N MET A 71 42.510 -37.136 -15.311 1.00 29.37 N
ATOM 410 CA MET A 71 41.975 -35.822 -15.652 1.00 29.28 C
ATOM 411 C MET A 71 41.656 -35.691 -17.138 1.00 29.12 C
ATOM 412 O MET A 71 42.490 -36.022 -17.996 1.00 28.82 O
ATOM 413 CB MET A 71 42.893 -34.664 -15.165 1.00 28.63 C
ATOM 414 CG MET A 71 42.294 -33.245 -15.343 1.00 28.37 C
ATOM 415 SD MET A 71 43.403 -31.971 -14.651 1.00 32.30 S
ATOM 416 CE MET A 71 42.380 -30.477 -14.776 1.00 27.03 C
ATOM 417 N THR A 72 40.437 -35.215 -17.425 1.00 28.87 N
ATOM 418 CA THR A 72 40.065 -34.662 -18.734 1.00 28.93 C
ATOM 419 C THR A 72 39.580 -33.226 -18.533 1.00 29.60 C
ATOM 420 O THR A 72 38.789 -32.933 -17.618 1.00 29.96 O
ATOM 421 CB THR A 72 38.892 -35.498 -19.393 1.00 29.09 C
ATOM 422 OG1 THR A 72 39.292 -36.865 -19.449 1.00 30.70 O
ATOM 423 CG2 THR A 72 38.604 -35.078 -20.848 1.00 28.41 C
ATOM 424 N ILE A 73 39.981 -32.352 -19.438 1.00 29.46 N
ATOM 425 CA ILE A 73 39.570 -30.964 -19.430 1.00 29.36 C
ATOM 426 C ILE A 73 38.834 -30.722 -20.758 1.00 27.78 C
ATOM 427 O ILE A 73 39.309 -31.105 -21.785 1.00 27.09 O
ATOM 428 CB ILE A 73 40.848 -30.047 -19.444 1.00 28.57 C
ATOM 429 CG1 ILE A 73 41.682 -30.222 -18.165 1.00 30.84 C
ATOM 430 CG2 ILE A 73 40.519 -28.615 -19.674 1.00 31.22 C
ATOM 431 CD1 ILE A 73 43.213 -29.722 -18.401 1.00 31.26 C
ATOM 432 N PHE A 74 37.706 -30.033 -20.717 1.00 27.21 N
ATOM 433 CA PHE A 74 37.069 -29.569 -21.910 1.00 27.08 C
ATOM 434 C PHE A 74 37.113 -28.067 -21.904 1.00 27.43 C
ATOM 435 O PHE A 74 36.392 -27.403 -21.118 1.00 27.17 O
ATOM 436 CB PHE A 74 35.616 -30.045 -21.950 1.00 27.07 C
ATOM 437 CG PHE A 74 35.470 -31.561 -22.040 1.00 27.92 C
ATOM 438 CD1 PHE A 74 35.262 -32.325 -20.885 1.00 25.79 C
ATOM 439 CD2 PHE A 74 35.521 -32.213 -23.294 1.00 25.36 C
ATOM 440 CE1 PHE A 74 35.114 -33.732 -20.979 1.00 28.76 C
ATOM 441 CE2 PHE A 74 35.378 -33.620 -23.406 1.00 27.15 C
ATOM 442 CZ PHE A 74 35.169 -34.386 -22.247 1.00 25.15 C
ATOM 443 N TYR A 75 37.968 -27.532 -22.771 1.00 26.94 N
ATOM 444 CA TYR A 75 38.019 -26.108 -23.059 1.00 27.83 C
ATOM 445 C TYR A 75 36.786 -25.767 -23.864 1.00 27.69 C
ATOM 446 O TYR A 75 36.109 -26.648 -24.373 1.00 26.39 O
ATOM 447 CB TYR A 75 39.284 -25.749 -23.839 1.00 29.51 C
ATOM 448 CG TYR A 75 40.555 -26.003 -23.070 1.00 28.91 C
ATOM 449 CD1 TYR A 75 41.435 -27.003 -23.454 1.00 28.68 C
ATOM 450 CD2 TYR A 75 40.884 -25.214 -21.961 1.00 33.26 C
ATOM 451 CE1 TYR A 75 42.638 -27.246 -22.726 1.00 32.34 C
ATOM 452 CE2 TYR A 75 42.069 -25.444 -21.210 1.00 32.78 C
ATOM 453 CZ TYR A 75 42.936 -26.451 -21.613 1.00 33.06 C
ATOM 454 OH TYR A 75 44.083 -26.648 -20.898 1.00 33.56 O
ATOM 455 N SER A 76 36.431 -24.498 -23.919 1.00 29.51 N
ATOM 456 CA SER A 76 35.069 -24.167 -24.352 1.00 31.03 C
ATOM 457 C SER A 76 34.808 -24.531 -25.835 1.00 33.21 C
ATOM 458 O SER A 76 33.633 -24.627 -26.238 1.00 33.85 O
ATOM 459 CB SER A 76 34.778 -22.689 -24.129 1.00 31.29 C
ATOM 460 OG SER A 76 35.750 -21.860 -24.766 1.00 33.87 O
ATOM 461 N SER A 77 35.878 -24.751 -26.625 1.00 33.22 N
ATOM 462 CA SER A 77 35.737 -25.087 -28.044 1.00 34.69 C
ATOM 463 C SER A 77 35.740 -26.574 -28.256 1.00 35.33 C
ATOM 464 O SER A 77 35.649 -27.016 -29.399 1.00 35.59 O
ATOM 465 CB SER A 77 36.870 -24.496 -28.867 1.00 34.64 C
ATOM 466 OG SER A 77 38.077 -25.185 -28.551 1.00 39.62 O
ATOM 467 N GLN A 78 35.821 -27.345 -27.162 1.00 34.53 N
ATOM 468 CA GLN A 78 35.903 -28.803 -27.238 1.00 33.44 C
ATOM 469 C GLN A 78 34.654 -29.599 -26.828 1.00 33.60 C
ATOM 470 O GLN A 78 34.685 -30.814 -26.956 1.00 34.99 O
ATOM 471 CB GLN A 78 37.093 -29.313 -26.385 1.00 32.96 C
ATOM 472 CG GLN A 78 38.431 -28.668 -26.764 1.00 32.10 C
ATOM 473 CD GLN A 78 39.601 -29.112 -25.916 1.00 32.07 C
ATOM 474 OE1 GLN A 78 39.493 -29.396 -24.709 1.00 32.84 O
ATOM 475 NE2 GLN A 78 40.744 -29.144 -26.533 1.00 30.16 N
ATOM 476 N LEU A 79 33.609 -28.982 -26.255 1.00 32.22 N
ATOM 477 CA LEU A 79 32.462 -29.763 -25.762 1.00 30.42 C
ATOM 478 C LEU A 79 31.148 -29.201 -26.321 1.00 30.90 C
ATOM 479 O LEU A 79 30.661 -28.137 -25.891 1.00 30.01 O
ATOM 480 CB LEU A 79 32.440 -29.858 -24.226 1.00 30.59 C
ATOM 481 CG LEU A 79 31.399 -30.800 -23.607 1.00 28.93 C
ATOM 482 CD1 LEU A 79 31.574 -32.239 -24.048 1.00 24.18 C
ATOM 483 CD2 LEU A 79 31.448 -30.733 -22.117 1.00 28.40 C
ATOM 484 N GLY A 80 30.598 -29.926 -27.301 1.00 30.14 N
ATOM 485 CA GLY A 80 29.491 -29.446 -28.093 1.00 29.96 C
ATOM 486 C GLY A 80 29.753 -28.134 -28.800 1.00 30.42 C
ATOM 487 O GLY A 80 30.828 -27.933 -29.395 1.00 30.61 O
ATOM 488 N THR A 81 28.784 -27.231 -28.696 1.00 29.38 N
ATOM 489 CA THR A 81 28.797 -25.987 -29.443 1.00 30.14 C
ATOM 490 C THR A 81 28.519 -24.821 -28.533 1.00 29.97 C
ATOM 491 O THR A 81 27.422 -24.272 -28.527 1.00 30.23 O
ATOM 492 CB THR A 81 27.715 -25.989 -30.585 1.00 29.43 C
ATOM 493 OG1 THR A 81 26.408 -26.161 -30.019 1.00 29.17 O
ATOM 494 CG2 THR A 81 27.979 -27.107 -31.625 1.00 28.96 C
ATOM 495 N TYR A 82 29.530 -24.416 -27.796 1.00 30.61 N
ATOM 496 CA TYR A 82 29.401 -23.387 -26.783 1.00 30.26 C
ATOM 497 C TYR A 82 29.261 -21.991 -27.370 1.00 30.62 C
ATOM 498 O TYR A 82 30.138 -21.528 -28.085 1.00 30.93 O
ATOM 499 CB TYR A 82 30.632 -23.420 -25.904 1.00 30.37 C
ATOM 500 CG TYR A 82 30.614 -22.434 -24.759 1.00 29.75 C
ATOM 501 CD1 TYR A 82 29.686 -22.558 -23.737 1.00 27.19 C
ATOM 502 CD2 TYR A 82 31.546 -21.386 -24.694 1.00 30.97 C
ATOM 503 CE1 TYR A 82 29.682 -21.672 -22.672 1.00 26.62 C
ATOM 504 CE2 TYR A 82 31.547 -20.478 -23.611 1.00 30.57 C
ATOM 505 CZ TYR A 82 30.606 -20.653 -22.606 1.00 28.46 C
ATOM 506 OH TYR A 82 30.580 -19.816 -21.521 1.00 28.83 O
ATOM 507 N PRO A 83 28.158 -21.301 -27.038 1.00 31.92 N
ATOM 508 CA PRO A 83 27.883 -19.982 -27.602 1.00 32.08 C
ATOM 509 C PRO A 83 28.524 -18.870 -26.801 1.00 33.81 C
ATOM 510 O PRO A 83 28.484 -18.895 -25.561 1.00 33.82 O
ATOM 511 CB PRO A 83 26.348 -19.893 -27.527 1.00 32.04 C
ATOM 512 CG PRO A 83 25.922 -20.907 -26.486 1.00 31.71 C
ATOM 513 CD PRO A 83 27.090 -21.755 -26.118 1.00 30.80 C
ATOM 514 N TYR A 84 29.123 -17.915 -27.505 1.00 35.47 N
ATOM 515 CA TYR A 84 29.783 -16.778 -26.882 1.00 37.55 C
ATOM 516 C TYR A 84 29.977 -15.677 -27.899 1.00 37.99 C
ATOM 517 O TYR A 84 29.770 -15.856 -29.104 1.00 38.69 O
ATOM 518 CB TYR A 84 31.138 -17.170 -26.230 1.00 38.62 C