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1zik-original.pdb
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HEADER LEUCINE ZIPPER 30-OCT-96 1ZIK
TITLE GCN4-LEUCINE ZIPPER CORE MUTANT ASN16LYS IN THE DIMERIC
TITLE 2 STATE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GENERAL CONTROL PROTEIN GCN4;
COMPND 3 CHAIN: A, B;
COMPND 4 SYNONYM: GCN4;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES;
COMPND 7 OTHER_DETAILS: THIS STRUCTURE IS IN THE DIMERIC STATE
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932
KEYWDS LEUCINE ZIPPER, AMINO-ACID BIOSYNTHESIS, TRANSCRIPTION
KEYWDS 2 REGULATION, ACTIVATOR, DNA-BINDING, NUCLEAR PROTEIN, COILED
KEYWDS 3 COIL
EXPDTA X-RAY DIFFRACTION
AUTHOR L.GONZALEZ JUNIOR,D.N.WOOLFSON,T.ALBER
REVDAT 3 24-FEB-09 1ZIK 1 VERSN
REVDAT 2 01-APR-03 1ZIK 1 JRNL
REVDAT 1 07-JUL-97 1ZIK 0
JRNL AUTH L.GONZALEZ JR.,D.N.WOOLFSON,T.ALBER
JRNL TITL BURIED POLAR RESIDUES AND STRUCTURAL SPECIFICITY
JRNL TITL 2 IN THE GCN4 LEUCINE ZIPPER.
JRNL REF NAT.STRUCT.BIOL. V. 3 1011 1996
JRNL REFN ISSN 1072-8368
JRNL PMID 8946854
JRNL DOI 10.1038/NSB1296-1011
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH L.GONZALEZ JUNIOR,J.J.PLECS,T.ALBER
REMARK 1 TITL AN ENGINEERED ALLOSTERIC SWITCH IN LEUCINE-ZIPPER
REMARK 1 TITL 2 OLIGOMERIZATION
REMARK 1 REF NAT.STRUCT.BIOL. V. 3 510 1996
REMARK 1 REFN ISSN 1072-8368
REMARK 1 REFERENCE 2
REMARK 1 AUTH P.B.HARBURY,P.S.KIM,T.ALBER
REMARK 1 TITL CRYSTAL STRUCTURE OF AN ISOLEUCINE-ZIPPER TRIMER
REMARK 1 REF NATURE V. 371 80 1994
REMARK 1 REFN ISSN 0028-0836
REMARK 1 REFERENCE 3
REMARK 1 AUTH P.B.HARBURY,T.ZHANG,P.S.KIM,T.ALBER
REMARK 1 TITL A SWITCH BETWEEN TWO-, THREE-, AND FOUR-STRANDED
REMARK 1 TITL 2 COILED COILS IN GCN4 LEUCINE ZIPPER MUTANTS
REMARK 1 REF SCIENCE V. 262 1401 1993
REMARK 1 REFN ISSN 0036-8075
REMARK 1 REFERENCE 4
REMARK 1 AUTH E.K.O'SHEA,J.D.KLEMM,P.S.KIM,T.ALBER
REMARK 1 TITL X-RAY STRUCTURE OF THE GCN4 LEUCINE ZIPPER, A
REMARK 1 TITL 2 TWO-STRANDED, PARALLEL COILED COIL
REMARK 1 REF SCIENCE V. 254 539 1991
REMARK 1 REFN ISSN 0036-8075
REMARK 2
REMARK 2 RESOLUTION. 1.80 ANGSTROMS.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : TNT
REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS
REMARK 3
REMARK 3 DATA USED IN REFINEMENT.
REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80
REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00
REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000
REMARK 3 COMPLETENESS FOR RANGE (%) : NULL
REMARK 3 NUMBER OF REFLECTIONS : 5706
REMARK 3
REMARK 3 USING DATA ABOVE SIGMA CUTOFF.
REMARK 3 CROSS-VALIDATION METHOD : NULL
REMARK 3 FREE R VALUE TEST SET SELECTION : NULL
REMARK 3 R VALUE (WORKING + TEST SET) : NULL
REMARK 3 R VALUE (WORKING SET) : 0.186
REMARK 3 FREE R VALUE : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT : NULL
REMARK 3
REMARK 3 USING ALL DATA, NO SIGMA CUTOFF.
REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL
REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE (NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL
REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL
REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL
REMARK 3
REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK 3 PROTEIN ATOMS : 512
REMARK 3 NUCLEIC ACID ATOMS : 0
REMARK 3 HETEROGEN ATOMS : 0
REMARK 3 SOLVENT ATOMS : 34
REMARK 3
REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL
REMARK 3
REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT
REMARK 3 BOND LENGTHS (A) : 0.015 ; NULL ; NULL
REMARK 3 BOND ANGLES (DEGREES) : 2.100 ; NULL ; NULL
REMARK 3 TORSION ANGLES (DEGREES) : NULL ; NULL ; NULL
REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL
REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL
REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL
REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL
REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL
REMARK 3
REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL
REMARK 3
REMARK 3 BULK SOLVENT MODELING.
REMARK 3 METHOD USED : NULL
REMARK 3 KSOL : NULL
REMARK 3 BSOL : NULL
REMARK 3
REMARK 3 RESTRAINT LIBRARIES.
REMARK 3 STEREOCHEMISTRY : NULL
REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1ZIK COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION
REMARK 200 DATE OF DATA COLLECTION : SEP-94
REMARK 200 TEMPERATURE (KELVIN) : NULL
REMARK 200 PH : NULL
REMARK 200 NUMBER OF CRYSTALS USED : NULL
REMARK 200
REMARK 200 SYNCHROTRON (Y/N) : N
REMARK 200 RADIATION SOURCE : SEALED TUBE
REMARK 200 BEAMLINE : NULL
REMARK 200 X-RAY GENERATOR MODEL : NULL
REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M
REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418
REMARK 200 MONOCHROMATOR : NULL
REMARK 200 OPTICS : NULL
REMARK 200
REMARK 200 DETECTOR TYPE : IMAGE PLATE
REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS
REMARK 200 INTENSITY-INTEGRATION SOFTWARE : R-AXIS
REMARK 200 DATA SCALING SOFTWARE : R-AXIS
REMARK 200
REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 5706
REMARK 200 RESOLUTION RANGE HIGH (A) : NULL
REMARK 200 RESOLUTION RANGE LOW (A) : NULL
REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000
REMARK 200
REMARK 200 OVERALL.
REMARK 200 COMPLETENESS FOR RANGE (%) : 88.0
REMARK 200 DATA REDUNDANCY : 2.800
REMARK 200 R MERGE (I) : 0.05300
REMARK 200 R SYM (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL
REMARK 200 COMPLETENESS FOR SHELL (%) : NULL
REMARK 200 DATA REDUNDANCY IN SHELL : NULL
REMARK 200 R MERGE FOR SHELL (I) : NULL
REMARK 200 R SYM FOR SHELL (I) : NULL
REMARK 200 <I/SIGMA(I)> FOR SHELL : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: NULL
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS (%): 44.00
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
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 X+1/2,Y+1/2,Z
REMARK 290 4555 -X+1/2,Y+1/2,-Z
REMARK 290
REMARK 290 WHERE NNN -> OPERATOR NUMBER
REMARK 290 MMM -> TRANSLATION VECTOR
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY
REMARK 290 RELATED MOLECULES.
REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000
REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000
REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 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 52.15500
REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 15.28000
REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000
REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 52.15500
REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 15.28000
REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 1740 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 4650 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B
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 31
REMARK 465 GLU A 32
REMARK 465 ARG A 33
REMARK 465 GLY B 31
REMARK 465 GLU B 32
REMARK 465 ARG B 33
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 GLU A 20 CD GLU A 20 OE2 0.078
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 1 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES
REMARK 500 ASP A 7 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES
REMARK 500 ARG B 1 NE - CZ - NH1 ANGL. DEV. = 3.8 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525 M RES CSSEQI
REMARK 525 HOH B 63 DISTANCE = 5.20 ANGSTROMS
DBREF 1ZIK A 1 33 UNP P03069 GCN4_YEAST 249 281
DBREF 1ZIK B 1 33 UNP P03069 GCN4_YEAST 249 281
SEQADV 1ZIK LYS A 16 UNP P03069 ASN 264 ENGINEERED
SEQADV 1ZIK LYS B 16 UNP P03069 ASN 264 ENGINEERED
SEQRES 1 A 33 ARG MET LYS GLN LEU GLU ASP LYS VAL GLU GLU LEU LEU
SEQRES 2 A 33 SER LYS LYS TYR HIS LEU GLU ASN GLU VAL ALA ARG LEU
SEQRES 3 A 33 LYS LYS LEU VAL GLY GLU ARG
SEQRES 1 B 33 ARG MET LYS GLN LEU GLU ASP LYS VAL GLU GLU LEU LEU
SEQRES 2 B 33 SER LYS LYS TYR HIS LEU GLU ASN GLU VAL ALA ARG LEU
SEQRES 3 B 33 LYS LYS LEU VAL GLY GLU ARG
FORMUL 3 HOH *34(H2 O)
HELIX 1 1 ARG A 1 VAL A 30 1 30
HELIX 2 2 ARG B 1 VAL B 30 1 30
CRYST1 104.310 30.560 22.330 90.00 97.37 90.00 C 1 2 1 8
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 0.009587 0.000000 0.001240 0.00000
SCALE2 0.000000 0.032723 0.000000 0.00000
SCALE3 0.000000 0.000000 0.045156 0.00000
ATOM 1 N ARG A 1 39.645 15.539 14.173 1.00 56.87 N
ATOM 2 CA ARG A 1 38.422 14.946 14.705 1.00 62.98 C
ATOM 3 C ARG A 1 37.464 15.998 15.203 1.00 52.36 C
ATOM 4 O ARG A 1 36.237 15.825 15.168 1.00 46.26 O
ATOM 5 CB ARG A 1 38.561 13.774 15.690 1.00 56.60 C
ATOM 6 CG ARG A 1 37.318 13.690 16.586 1.00 53.36 C
ATOM 7 CD ARG A 1 36.802 12.295 16.930 1.00100.00 C
ATOM 8 NE ARG A 1 36.455 12.240 18.356 1.00 83.09 N
ATOM 9 CZ ARG A 1 35.255 11.991 18.875 1.00 93.31 C
ATOM 10 NH1 ARG A 1 34.177 11.713 18.133 1.00 72.78 N
ATOM 11 NH2 ARG A 1 35.148 11.986 20.199 1.00 80.69 N
ATOM 12 N MET A 2 38.006 17.100 15.696 1.00 27.39 N
ATOM 13 CA MET A 2 37.071 18.088 16.101 1.00 33.48 C
ATOM 14 C MET A 2 36.619 18.742 14.745 1.00 45.15 C
ATOM 15 O MET A 2 35.422 19.040 14.476 1.00 34.80 O
ATOM 16 CB MET A 2 37.704 19.033 17.134 1.00 40.02 C
ATOM 17 CG MET A 2 36.823 20.211 17.508 1.00 58.13 C
ATOM 18 SD MET A 2 35.694 19.869 18.882 1.00 78.65 S
ATOM 19 CE MET A 2 36.695 18.699 19.835 1.00 79.96 C
ATOM 20 N LYS A 3 37.623 18.908 13.853 1.00 29.33 N
ATOM 21 CA LYS A 3 37.400 19.470 12.532 1.00 40.95 C
ATOM 22 C LYS A 3 36.453 18.596 11.713 1.00 38.13 C
ATOM 23 O LYS A 3 35.593 19.083 10.995 1.00 42.35 O
ATOM 24 CB LYS A 3 38.700 19.740 11.786 1.00 50.30 C
ATOM 25 CG LYS A 3 38.509 19.885 10.274 1.00 72.25 C
ATOM 26 CD LYS A 3 37.722 21.125 9.875 1.00 92.33 C
ATOM 27 CE LYS A 3 37.984 21.561 8.442 1.00 94.36 C
ATOM 28 NZ LYS A 3 38.292 22.995 8.344 1.00 90.16 N
ATOM 29 N GLN A 4 36.631 17.282 11.834 1.00 30.21 N
ATOM 30 CA GLN A 4 35.796 16.321 11.127 1.00 30.99 C
ATOM 31 C GLN A 4 34.375 16.383 11.608 1.00 36.84 C
ATOM 32 O GLN A 4 33.460 16.153 10.842 1.00 34.53 O
ATOM 33 CB GLN A 4 36.285 14.883 11.234 1.00 29.21 C
ATOM 34 CG GLN A 4 37.670 14.679 10.636 1.00 62.58 C
ATOM 35 CD GLN A 4 38.082 13.252 10.905 1.00100.00 C
ATOM 36 OE1 GLN A 4 37.266 12.333 10.698 1.00100.00 O
ATOM 37 NE2 GLN A 4 39.291 13.064 11.453 1.00100.00 N
ATOM 38 N LEU A 5 34.180 16.706 12.892 1.00 27.98 N
ATOM 39 CA LEU A 5 32.838 16.787 13.363 1.00 31.52 C
ATOM 40 C LEU A 5 32.228 18.088 12.860 1.00 32.25 C
ATOM 41 O LEU A 5 31.026 18.133 12.511 1.00 27.56 O
ATOM 42 CB LEU A 5 32.719 16.705 14.891 1.00 35.66 C
ATOM 43 CG LEU A 5 32.840 15.288 15.448 1.00 38.36 C
ATOM 44 CD1 LEU A 5 33.060 15.422 16.940 1.00 31.95 C
ATOM 45 CD2 LEU A 5 31.530 14.552 15.249 1.00 26.31 C
ATOM 46 N GLU A 6 33.074 19.144 12.864 1.00 25.90 N
ATOM 47 CA GLU A 6 32.639 20.460 12.395 1.00 34.67 C
ATOM 48 C GLU A 6 32.179 20.416 10.910 1.00 23.30 C
ATOM 49 O GLU A 6 31.055 20.810 10.566 1.00 26.66 O
ATOM 50 CB GLU A 6 33.687 21.520 12.714 1.00 31.40 C
ATOM 51 CG GLU A 6 33.529 22.121 14.165 1.00 26.98 C
ATOM 52 CD GLU A 6 34.775 22.866 14.650 1.00 48.13 C
ATOM 53 OE1 GLU A 6 35.790 23.004 13.976 1.00 30.14 O
ATOM 54 OE2 GLU A 6 34.646 23.373 15.858 1.00 46.61 O
ATOM 55 N ASP A 7 33.061 19.909 10.067 1.00 20.89 N
ATOM 56 CA ASP A 7 32.772 19.742 8.654 1.00 30.75 C
ATOM 57 C ASP A 7 31.485 18.946 8.439 1.00 30.23 C
ATOM 58 O ASP A 7 30.720 19.174 7.509 1.00 25.10 O
ATOM 59 CB ASP A 7 33.911 18.972 7.999 1.00 28.02 C
ATOM 60 CG ASP A 7 35.087 19.839 7.840 1.00 23.92 C
ATOM 61 OD1 ASP A 7 35.052 21.018 8.083 1.00 37.25 O
ATOM 62 OD2 ASP A 7 36.141 19.184 7.477 1.00 46.38 O
ATOM 63 N LYS A 8 31.276 17.984 9.312 1.00 28.19 N
ATOM 64 CA LYS A 8 30.128 17.133 9.270 1.00 21.87 C
ATOM 65 C LYS A 8 28.848 17.875 9.576 1.00 43.42 C
ATOM 66 O LYS A 8 27.811 17.678 8.912 1.00 33.68 O
ATOM 67 CB LYS A 8 30.320 15.872 10.086 1.00 24.86 C
ATOM 68 CG LYS A 8 29.102 14.994 10.050 1.00 31.01 C
ATOM 69 CD LYS A 8 29.304 13.789 9.150 1.00 47.47 C
ATOM 70 CE LYS A 8 27.992 13.192 8.680 1.00 54.19 C
ATOM 71 NZ LYS A 8 27.857 13.200 7.210 1.00 92.18 N
ATOM 72 N VAL A 9 28.909 18.765 10.569 1.00 27.19 N
ATOM 73 CA VAL A 9 27.709 19.535 10.892 1.00 25.83 C
ATOM 74 C VAL A 9 27.381 20.443 9.645 1.00 21.40 C
ATOM 75 O VAL A 9 26.218 20.615 9.212 1.00 28.01 O
ATOM 76 CB VAL A 9 27.941 20.380 12.212 1.00 23.49 C
ATOM 77 CG1 VAL A 9 26.837 21.420 12.445 1.00 24.32 C
ATOM 78 CG2 VAL A 9 28.040 19.493 13.445 1.00 22.69 C
ATOM 79 N GLU A 10 28.440 21.026 9.082 1.00 18.36 N
ATOM 80 CA GLU A 10 28.334 21.914 7.921 1.00 31.01 C
ATOM 81 C GLU A 10 27.607 21.218 6.743 1.00 29.86 C
ATOM 82 O GLU A 10 26.574 21.687 6.199 1.00 30.53 O
ATOM 83 CB GLU A 10 29.726 22.465 7.598 1.00 23.42 C
ATOM 84 CG GLU A 10 29.920 23.670 8.544 1.00 27.54 C
ATOM 85 CD GLU A 10 31.324 24.031 8.910 1.00 52.32 C
ATOM 86 OE1 GLU A 10 32.300 23.691 8.283 1.00 69.79 O
ATOM 87 OE2 GLU A 10 31.368 24.784 9.973 1.00 69.69 O
ATOM 88 N GLU A 11 28.130 20.040 6.418 1.00 26.99 N
ATOM 89 CA GLU A 11 27.566 19.189 5.351 1.00 22.08 C
ATOM 90 C GLU A 11 26.077 18.934 5.541 1.00 35.37 C
ATOM 91 O GLU A 11 25.246 19.125 4.633 1.00 30.54 O
ATOM 92 CB GLU A 11 28.324 17.875 5.248 1.00 20.07 C
ATOM 93 CG GLU A 11 27.589 16.740 4.487 1.00 33.40 C
ATOM 94 CD GLU A 11 28.465 15.511 4.372 1.00 63.03 C
ATOM 95 OE1 GLU A 11 29.145 15.087 5.285 1.00 43.68 O
ATOM 96 OE2 GLU A 11 28.486 14.992 3.178 1.00 48.67 O
ATOM 97 N LEU A 12 25.739 18.503 6.750 1.00 31.47 N
ATOM 98 CA LEU A 12 24.366 18.194 7.037 1.00 23.48 C
ATOM 99 C LEU A 12 23.529 19.402 7.030 1.00 28.38 C
ATOM 100 O LEU A 12 22.339 19.255 6.781 1.00 21.19 O
ATOM 101 CB LEU A 12 24.099 17.377 8.349 1.00 25.58 C
ATOM 102 CG LEU A 12 24.606 15.945 8.296 1.00 31.85 C
ATOM 103 CD1 LEU A 12 24.832 15.425 9.734 1.00 25.03 C
ATOM 104 CD2 LEU A 12 23.506 15.103 7.652 1.00 34.20 C
ATOM 105 N LEU A 13 24.133 20.563 7.349 1.00 22.54 N
ATOM 106 CA LEU A 13 23.329 21.787 7.338 1.00 35.15 C
ATOM 107 C LEU A 13 22.884 22.065 5.863 1.00 32.29 C
ATOM 108 O LEU A 13 21.698 22.326 5.526 1.00 28.18 O
ATOM 109 CB LEU A 13 24.117 22.984 7.918 1.00 25.82 C
ATOM 110 CG LEU A 13 23.304 24.253 7.962 1.00 19.45 C
ATOM 111 CD1 LEU A 13 22.036 24.057 8.767 1.00 19.86 C
ATOM 112 CD2 LEU A 13 24.146 25.309 8.638 1.00 52.18 C
ATOM 113 N SER A 14 23.893 21.978 4.998 1.00 22.02 N
ATOM 114 CA SER A 14 23.732 22.148 3.572 1.00 33.72 C
ATOM 115 C SER A 14 22.617 21.187 3.062 1.00 38.59 C
ATOM 116 O SER A 14 21.563 21.564 2.527 1.00 31.02 O
ATOM 117 CB SER A 14 25.054 21.749 2.945 1.00 25.82 C
ATOM 118 OG SER A 14 25.039 22.123 1.597 1.00 67.81 O
ATOM 119 N LYS A 15 22.850 19.899 3.227 1.00 24.62 N
ATOM 120 CA LYS A 15 21.831 18.972 2.791 1.00 25.13 C
ATOM 121 C LYS A 15 20.490 19.346 3.387 1.00 31.38 C
ATOM 122 O LYS A 15 19.398 19.302 2.801 1.00 27.40 O
ATOM 123 CB LYS A 15 22.173 17.532 3.148 1.00 22.22 C
ATOM 124 CG LYS A 15 23.583 17.105 2.741 1.00 50.41 C
ATOM 125 CD LYS A 15 23.602 15.716 2.095 1.00 64.74 C
ATOM 126 CE LYS A 15 24.793 14.855 2.483 1.00 53.83 C
ATOM 127 NZ LYS A 15 24.851 13.601 1.700 1.00 56.82 N
ATOM 128 N LYS A 16 20.514 19.734 4.617 1.00 24.55 N
ATOM 129 CA LYS A 16 19.240 20.066 5.156 1.00 16.11 C
ATOM 130 C LYS A 16 18.618 21.250 4.420 1.00 28.51 C
ATOM 131 O LYS A 16 17.407 21.306 4.216 1.00 28.77 O
ATOM 132 CB LYS A 16 19.318 20.447 6.630 1.00 46.62 C
ATOM 133 CG LYS A 16 17.934 20.749 7.184 1.00 33.37 C
ATOM 134 CD LYS A 16 17.962 21.073 8.655 1.00 45.50 C
ATOM 135 CE LYS A 16 18.275 22.532 8.866 1.00 38.64 C
ATOM 136 NZ LYS A 16 17.154 23.266 9.490 1.00 55.05 N
ATOM 137 N TYR A 17 19.440 22.232 4.072 1.00 23.06 N
ATOM 138 CA TYR A 17 18.855 23.425 3.437 1.00 27.07 C
ATOM 139 C TYR A 17 18.194 23.121 2.090 1.00 34.76 C
ATOM 140 O TYR A 17 17.131 23.673 1.690 1.00 34.83 O
ATOM 141 CB TYR A 17 19.858 24.584 3.442 1.00 25.92 C
ATOM 142 CG TYR A 17 19.910 25.373 4.757 1.00 15.40 C
ATOM 143 CD1 TYR A 17 18.780 25.542 5.559 1.00 16.51 C
ATOM 144 CD2 TYR A 17 21.094 26.009 5.137 1.00 27.31 C
ATOM 145 CE1 TYR A 17 18.832 26.280 6.736 1.00 24.80 C
ATOM 146 CE2 TYR A 17 21.169 26.750 6.312 1.00 34.94 C
ATOM 147 CZ TYR A 17 20.037 26.882 7.109 1.00 25.60 C
ATOM 148 OH TYR A 17 20.120 27.615 8.260 1.00 48.28 O
ATOM 149 N HIS A 18 18.862 22.195 1.400 1.00 34.42 N
ATOM 150 CA HIS A 18 18.442 21.708 0.088 1.00 37.17 C
ATOM 151 C HIS A 18 17.066 21.070 0.196 1.00 41.37 C
ATOM 152 O HIS A 18 16.145 21.370 -0.550 1.00 39.40 O
ATOM 153 CB HIS A 18 19.465 20.704 -0.479 1.00 41.97 C
ATOM 154 CG HIS A 18 18.987 20.186 -1.801 1.00 65.52 C
ATOM 155 ND1 HIS A 18 17.978 19.229 -1.890 1.00 75.15 N
ATOM 156 CD2 HIS A 18 19.368 20.522 -3.068 1.00 79.00 C
ATOM 157 CE1 HIS A 18 17.783 18.996 -3.181 1.00 79.22 C
ATOM 158 NE2 HIS A 18 18.603 19.755 -3.913 1.00 81.41 N
ATOM 159 N LEU A 19 16.940 20.185 1.176 1.00 24.62 N
ATOM 160 CA LEU A 19 15.732 19.489 1.448 1.00 26.02 C
ATOM 161 C LEU A 19 14.615 20.422 1.783 1.00 32.44 C
ATOM 162 O LEU A 19 13.492 20.190 1.396 1.00 30.06 O
ATOM 163 CB LEU A 19 15.907 18.378 2.510 1.00 34.10 C
ATOM 164 CG LEU A 19 16.676 17.170 1.940 1.00 37.98 C
ATOM 165 CD1 LEU A 19 17.238 16.231 3.040 1.00 25.37 C
ATOM 166 CD2 LEU A 19 15.684 16.408 1.090 1.00 34.67 C
ATOM 167 N GLU A 20 14.890 21.482 2.504 1.00 22.80 N
ATOM 168 CA GLU A 20 13.806 22.402 2.824 1.00 32.18 C
ATOM 169 C GLU A 20 13.400 23.260 1.581 1.00 26.25 C
ATOM 170 O GLU A 20 12.234 23.588 1.406 1.00 34.52 O
ATOM 171 CB GLU A 20 14.096 23.288 4.059 1.00 34.35 C
ATOM 172 CG GLU A 20 14.349 22.506 5.352 1.00 39.81 C
ATOM 173 CD GLU A 20 14.622 23.361 6.567 1.00 41.99 C
ATOM 174 OE1 GLU A 20 15.318 24.367 6.525 1.00 36.75 O
ATOM 175 OE2 GLU A 20 14.093 22.845 7.673 1.00 47.98 O
ATOM 176 N ASN A 21 14.372 23.611 0.736 1.00 22.61 N
ATOM 177 CA ASN A 21 14.060 24.363 -0.464 1.00 26.96 C
ATOM 178 C ASN A 21 13.082 23.497 -1.325 1.00 42.86 C
ATOM 179 O ASN A 21 12.011 23.921 -1.768 1.00 45.97 O
ATOM 180 CB ASN A 21 15.386 24.635 -1.190 1.00 21.30 C
ATOM 181 CG ASN A 21 16.184 25.665 -0.392 1.00 29.85 C
ATOM 182 OD1 ASN A 21 15.666 26.213 0.559 1.00 28.65 O
ATOM 183 ND2 ASN A 21 17.422 25.947 -0.755 1.00 19.26 N
ATOM 184 N GLU A 22 13.445 22.243 -1.543 1.00 32.42 N
ATOM 185 CA GLU A 22 12.646 21.309 -2.321 1.00 32.51 C
ATOM 186 C GLU A 22 11.245 21.181 -1.795 1.00 34.02 C
ATOM 187 O GLU A 22 10.282 21.135 -2.537 1.00 41.27 O
ATOM 188 CB GLU A 22 13.263 19.895 -2.381 1.00 33.94 C
ATOM 189 CG GLU A 22 14.318 19.635 -3.471 1.00 68.98 C
ATOM 190 CD GLU A 22 13.740 19.298 -4.826 1.00100.00 C
ATOM 191 OE1 GLU A 22 13.072 18.300 -5.053 1.00 70.94 O
ATOM 192 OE2 GLU A 22 14.073 20.174 -5.746 1.00100.00 O
ATOM 193 N VAL A 23 11.117 21.104 -0.496 1.00 36.78 N
ATOM 194 CA VAL A 23 9.803 20.947 0.083 1.00 39.90 C
ATOM 195 C VAL A 23 8.962 22.170 -0.192 1.00 54.86 C
ATOM 196 O VAL A 23 7.753 22.053 -0.373 1.00 56.67 O
ATOM 197 CB VAL A 23 9.815 20.601 1.592 1.00 43.20 C
ATOM 198 CG1 VAL A 23 8.396 20.430 2.137 1.00 34.12 C
ATOM 199 CG2 VAL A 23 10.581 19.303 1.838 1.00 46.24 C
ATOM 200 N ALA A 24 9.619 23.343 -0.223 1.00 49.33 N
ATOM 201 CA ALA A 24 8.933 24.611 -0.462 1.00 41.80 C
ATOM 202 C ALA A 24 8.262 24.594 -1.816 1.00 53.51 C
ATOM 203 O ALA A 24 7.085 24.893 -2.018 1.00 45.93 O
ATOM 204 CB ALA A 24 9.937 25.732 -0.408 1.00 34.25 C
ATOM 205 N ARG A 25 9.102 24.188 -2.721 1.00 47.27 N
ATOM 206 CA ARG A 25 8.801 24.050 -4.098 1.00 51.66 C
ATOM 207 C ARG A 25 7.647 23.107 -4.361 1.00 63.21 C
ATOM 208 O ARG A 25 6.806 23.440 -5.204 1.00 62.96 O
ATOM 209 CB ARG A 25 10.053 23.571 -4.814 1.00 39.52 C
ATOM 210 CG ARG A 25 9.833 23.375 -6.296 1.00 36.97 C
ATOM 211 CD ARG A 25 10.982 22.631 -6.932 1.00 37.61 C
ATOM 212 NE ARG A 25 10.978 21.216 -6.598 1.00 57.09 N
ATOM 213 CZ ARG A 25 10.278 20.314 -7.265 1.00 68.27 C
ATOM 214 NH1 ARG A 25 9.508 20.663 -8.295 1.00 57.67 N
ATOM 215 NH2 ARG A 25 10.348 19.034 -6.889 1.00 62.47 N
ATOM 216 N LEU A 26 7.643 21.936 -3.659 1.00 46.37 N
ATOM 217 CA LEU A 26 6.606 20.916 -3.830 1.00 36.19 C
ATOM 218 C LEU A 26 5.341 21.377 -3.161 1.00 45.07 C
ATOM 219 O LEU A 26 4.215 21.074 -3.592 1.00 48.17 O
ATOM 220 CB LEU A 26 7.009 19.496 -3.357 1.00 34.47 C
ATOM 221 CG LEU A 26 8.138 18.832 -4.136 1.00 46.28 C
ATOM 222 CD1 LEU A 26 8.592 17.578 -3.397 1.00 60.32 C
ATOM 223 CD2 LEU A 26 7.692 18.421 -5.522 1.00 34.26 C
ATOM 224 N LYS A 27 5.556 22.149 -2.099 1.00 55.59 N
ATOM 225 CA LYS A 27 4.457 22.699 -1.328 1.00 66.35 C
ATOM 226 C LYS A 27 3.761 23.786 -2.134 1.00 92.53 C
ATOM 227 O LYS A 27 2.669 24.254 -1.798 1.00100.00 O
ATOM 228 CB LYS A 27 4.853 23.169 0.077 1.00 64.22 C
ATOM 229 CG LYS A 27 4.146 22.407 1.193 1.00 46.16 C
ATOM 230 CD LYS A 27 4.819 22.545 2.561 1.00 54.57 C
ATOM 231 CE LYS A 27 5.202 21.204 3.207 1.00100.00 C
ATOM 232 NZ LYS A 27 4.532 20.870 4.490 1.00 49.77 N
ATOM 233 N LYS A 28 4.408 24.184 -3.226 1.00 82.98 N
ATOM 234 CA LYS A 28 3.835 25.199 -4.062 1.00 73.43 C
ATOM 235 C LYS A 28 3.133 24.644 -5.298 1.00 77.08 C
ATOM 236 O LYS A 28 2.441 25.368 -5.999 1.00 81.51 O
ATOM 237 CB LYS A 28 4.708 26.428 -4.221 1.00 75.68 C
ATOM 238 CG LYS A 28 5.055 27.039 -2.854 1.00100.00 C
ATOM 239 CD LYS A 28 5.912 28.305 -2.898 1.00100.00 C
ATOM 240 CE LYS A 28 7.125 28.261 -1.966 1.00 83.46 C
ATOM 241 NZ LYS A 28 8.401 28.599 -2.636 1.00 79.77 N
ATOM 242 N LEU A 29 3.296 23.331 -5.519 1.00 61.52 N
ATOM 243 CA LEU A 29 2.690 22.589 -6.608 1.00 54.83 C
ATOM 244 C LEU A 29 1.519 21.817 -6.084 1.00 64.69 C
ATOM 245 O LEU A 29 0.984 20.987 -6.795 1.00 73.80 O
ATOM 246 CB LEU A 29 3.590 21.423 -7.040 1.00 52.17 C
ATOM 247 CG LEU A 29 4.890 21.808 -7.696 1.00 58.81 C
ATOM 248 CD1 LEU A 29 5.489 20.579 -8.391 1.00 48.47 C
ATOM 249 CD2 LEU A 29 4.650 22.961 -8.654 1.00 62.95 C
ATOM 250 N VAL A 30 1.171 22.036 -4.827 1.00 62.60 N
ATOM 251 CA VAL A 30 0.097 21.302 -4.166 1.00 77.09 C
ATOM 252 C VAL A 30 -1.318 21.803 -4.455 1.00100.00 C
ATOM 253 O VAL A 30 -2.216 21.013 -4.825 1.00 87.18 O
ATOM 254 CB VAL A 30 0.398 21.041 -2.679 1.00 77.53 C
ATOM 255 CG1 VAL A 30 -0.875 20.719 -1.899 1.00 78.44 C
ATOM 256 CG2 VAL A 30 1.420 19.910 -2.531 1.00 70.59 C
TER 257 VAL A 30
ATOM 258 N ARG B 1 31.812 21.548 22.497 1.00 70.45 N
ATOM 259 CA ARG B 1 32.863 20.565 22.665 1.00 60.60 C
ATOM 260 C ARG B 1 32.583 19.262 21.884 1.00 45.81 C
ATOM 261 O ARG B 1 31.535 19.152 21.237 1.00 49.92 O
ATOM 262 CB ARG B 1 33.268 20.423 24.138 1.00 61.68 C
ATOM 263 CG ARG B 1 32.444 19.442 24.968 1.00 39.90 C
ATOM 264 CD ARG B 1 30.979 19.397 24.626 1.00 30.11 C
ATOM 265 NE ARG B 1 30.284 18.512 25.552 1.00 78.54 N
ATOM 266 CZ ARG B 1 29.551 18.874 26.609 1.00 90.82 C
ATOM 267 NH1 ARG B 1 29.339 20.149 26.978 1.00 51.58 N
ATOM 268 NH2 ARG B 1 29.000 17.907 27.336 1.00 97.65 N
ATOM 269 N MET B 2 33.516 18.282 21.911 1.00 34.91 N
ATOM 270 CA MET B 2 33.335 17.016 21.181 1.00 36.96 C
ATOM 271 C MET B 2 31.909 16.453 21.231 1.00 48.85 C
ATOM 272 O MET B 2 31.266 16.160 20.206 1.00 38.07 O
ATOM 273 CB MET B 2 34.349 15.958 21.583 1.00 34.78 C
ATOM 274 CG MET B 2 34.729 15.068 20.441 1.00 50.94 C
ATOM 275 SD MET B 2 36.239 15.640 19.663 1.00 74.01 S
ATOM 276 CE MET B 2 35.570 16.453 18.197 1.00 77.37 C
ATOM 277 N LYS B 3 31.424 16.312 22.457 1.00 30.93 N
ATOM 278 CA LYS B 3 30.118 15.795 22.713 1.00 26.69 C
ATOM 279 C LYS B 3 28.958 16.666 22.182 1.00 36.04 C
ATOM 280 O LYS B 3 27.926 16.133 21.730 1.00 32.73 O
ATOM 281 CB LYS B 3 29.943 15.279 24.145 1.00 27.91 C
ATOM 282 CG LYS B 3 28.626 14.535 24.314 1.00 59.15 C
ATOM 283 CD LYS B 3 28.356 14.234 25.774 1.00100.00 C
ATOM 284 CE LYS B 3 27.503 12.999 26.024 1.00100.00 C
ATOM 285 NZ LYS B 3 27.363 12.689 27.465 1.00100.00 N
ATOM 286 N GLN B 4 29.097 18.003 22.237 1.00 29.70 N
ATOM 287 CA GLN B 4 28.025 18.882 21.716 1.00 42.44 C
ATOM 288 C GLN B 4 27.865 18.673 20.187 1.00 28.96 C
ATOM 289 O GLN B 4 26.757 18.541 19.650 1.00 32.99 O
ATOM 290 CB GLN B 4 28.343 20.392 21.895 1.00 38.71 C
ATOM 291 CG GLN B 4 28.012 21.017 23.254 1.00 92.15 C
ATOM 292 CD GLN B 4 28.984 22.163 23.527 1.00100.00 C
ATOM 293 OE1 GLN B 4 29.239 22.520 24.696 1.00100.00 O
ATOM 294 NE2 GLN B 4 29.570 22.725 22.448 1.00 76.68 N
ATOM 295 N LEU B 5 29.045 18.703 19.535 1.00 26.37 N
ATOM 296 CA LEU B 5 29.184 18.538 18.124 1.00 22.39 C
ATOM 297 C LEU B 5 28.546 17.212 17.774 1.00 39.92 C
ATOM 298 O LEU B 5 27.768 17.192 16.828 1.00 39.59 O
ATOM 299 CB LEU B 5 30.656 18.662 17.666 1.00 25.48 C
ATOM 300 CG LEU B 5 31.254 20.117 17.645 1.00 27.16 C
ATOM 301 CD1 LEU B 5 32.730 20.073 17.251 1.00 20.94 C
ATOM 302 CD2 LEU B 5 30.579 20.981 16.587 1.00 33.85 C
ATOM 303 N GLU B 6 28.824 16.127 18.573 1.00 22.57 N
ATOM 304 CA GLU B 6 28.246 14.830 18.298 1.00 16.22 C
ATOM 305 C GLU B 6 26.790 14.888 18.399 1.00 22.11 C
ATOM 306 O GLU B 6 26.057 14.269 17.644 1.00 24.59 O
ATOM 307 CB GLU B 6 28.800 13.670 19.135 1.00 14.00 C
ATOM 308 CG GLU B 6 30.292 13.422 18.828 1.00 16.11 C
ATOM 309 CD GLU B 6 30.870 12.595 19.949 1.00 52.41 C
ATOM 310 OE1 GLU B 6 30.207 12.224 20.891 1.00 23.38 O
ATOM 311 OE2 GLU B 6 32.115 12.293 19.803 1.00 35.80 O
ATOM 312 N ASP B 7 26.343 15.679 19.327 1.00 19.59 N
ATOM 313 CA ASP B 7 24.887 15.813 19.510 1.00 25.54 C
ATOM 314 C ASP B 7 24.205 16.596 18.349 1.00 33.11 C
ATOM 315 O ASP B 7 23.047 16.313 17.972 1.00 25.97 O
ATOM 316 CB ASP B 7 24.545 16.511 20.857 1.00 38.83 C
ATOM 317 CG ASP B 7 24.727 15.615 22.053 1.00 47.65 C
ATOM 318 OD1 ASP B 7 25.121 14.475 21.965 1.00 41.82 O
ATOM 319 OD2 ASP B 7 24.417 16.177 23.179 1.00 55.62 O
ATOM 320 N LYS B 8 24.926 17.606 17.821 1.00 20.60 N
ATOM 321 CA LYS B 8 24.442 18.459 16.694 1.00 20.67 C
ATOM 322 C LYS B 8 24.287 17.522 15.445 1.00 24.36 C
ATOM 323 O LYS B 8 23.232 17.401 14.876 1.00 27.60 O
ATOM 324 CB LYS B 8 25.405 19.564 16.429 1.00 18.31 C
ATOM 325 CG LYS B 8 24.851 20.580 15.446 1.00 31.95 C
ATOM 326 CD LYS B 8 23.556 21.193 15.925 1.00 36.57 C
ATOM 327 CE LYS B 8 23.223 22.525 15.264 1.00 47.30 C
ATOM 328 NZ LYS B 8 21.778 22.664 15.042 1.00 62.34 N
ATOM 329 N VAL B 9 25.335 16.797 15.097 1.00 23.44 N
ATOM 330 CA VAL B 9 25.259 15.821 14.012 1.00 26.02 C
ATOM 331 C VAL B 9 24.012 14.900 14.160 1.00 30.45 C
ATOM 332 O VAL B 9 23.241 14.763 13.237 1.00 28.22 O
ATOM 333 CB VAL B 9 26.533 14.963 13.876 1.00 21.36 C
ATOM 334 CG1 VAL B 9 26.331 13.832 12.871 1.00 25.28 C
ATOM 335 CG2 VAL B 9 27.776 15.749 13.525 1.00 18.21 C
ATOM 336 N GLU B 10 23.761 14.273 15.319 1.00 22.00 N
ATOM 337 CA GLU B 10 22.627 13.392 15.455 1.00 22.51 C
ATOM 338 C GLU B 10 21.309 14.068 15.259 1.00 29.83 C
ATOM 339 O GLU B 10 20.345 13.504 14.752 1.00 33.70 O
ATOM 340 CB GLU B 10 22.636 12.576 16.791 1.00 18.64 C
ATOM 341 CG GLU B 10 23.936 11.753 16.837 1.00 28.51 C
ATOM 342 CD GLU B 10 24.339 11.394 18.253 1.00100.00 C
ATOM 343 OE1 GLU B 10 23.707 11.729 19.233 1.00 35.77 O
ATOM 344 OE2 GLU B 10 25.440 10.682 18.328 1.00100.00 O
ATOM 345 N GLU B 11 21.248 15.277 15.710 1.00 28.62 N
ATOM 346 CA GLU B 11 19.998 16.024 15.611 1.00 33.77 C
ATOM 347 C GLU B 11 19.706 16.452 14.176 1.00 25.82 C
ATOM 348 O GLU B 11 18.546 16.435 13.724 1.00 27.26 O
ATOM 349 CB GLU B 11 20.118 17.245 16.548 1.00 39.40 C
ATOM 350 CG GLU B 11 19.112 18.372 16.315 1.00 48.83 C
ATOM 351 CD GLU B 11 19.727 19.605 16.879 1.00 84.85 C
ATOM 352 OE1 GLU B 11 20.052 19.667 18.049 1.00100.00 O
ATOM 353 OE2 GLU B 11 20.078 20.483 15.963 1.00 65.04 O
ATOM 354 N LEU B 12 20.796 16.815 13.491 1.00 18.37 N
ATOM 355 CA LEU B 12 20.682 17.250 12.113 1.00 30.97 C
ATOM 356 C LEU B 12 20.317 16.056 11.240 1.00 45.98 C
ATOM 357 O LEU B 12 19.473 16.181 10.356 1.00 36.26 O
ATOM 358 CB LEU B 12 21.948 17.917 11.604 1.00 22.90 C
ATOM 359 CG LEU B 12 22.014 19.392 11.902 1.00 23.65 C
ATOM 360 CD1 LEU B 12 23.301 19.942 11.332 1.00 19.92 C
ATOM 361 CD2 LEU B 12 20.840 20.097 11.281 1.00 22.03 C
ATOM 362 N LEU B 13 20.937 14.889 11.508 1.00 23.21 N
ATOM 363 CA LEU B 13 20.640 13.710 10.729 1.00 22.54 C
ATOM 364 C LEU B 13 19.171 13.291 10.862 1.00 41.90 C
ATOM 365 O LEU B 13 18.510 12.814 9.893 1.00 30.68 O
ATOM 366 CB LEU B 13 21.624 12.570 10.989 1.00 24.74 C
ATOM 367 CG LEU B 13 21.241 11.281 10.254 1.00 38.63 C
ATOM 368 CD1 LEU B 13 21.819 11.269 8.838 1.00 32.32 C
ATOM 369 CD2 LEU B 13 21.672 10.037 11.041 1.00 62.53 C
ATOM 370 N SER B 14 18.628 13.481 12.069 1.00 33.04 N
ATOM 371 CA SER B 14 17.227 13.135 12.279 1.00 38.08 C
ATOM 372 C SER B 14 16.309 14.040 11.411 1.00 35.01 C
ATOM 373 O SER B 14 15.300 13.623 10.830 1.00 26.81 O
ATOM 374 CB SER B 14 16.847 13.185 13.756 1.00 27.52 C
ATOM 375 OG SER B 14 15.613 12.513 13.995 1.00 57.71 O
ATOM 376 N LYS B 15 16.697 15.310 11.327 1.00 24.58 N
ATOM 377 CA LYS B 15 15.952 16.299 10.546 1.00 36.81 C
ATOM 378 C LYS B 15 15.970 15.948 9.073 1.00 31.44 C
ATOM 379 O LYS B 15 14.973 15.939 8.361 1.00 30.56 O
ATOM 380 CB LYS B 15 16.436 17.709 10.822 1.00 35.65 C
ATOM 381 CG LYS B 15 15.694 18.309 12.015 1.00 75.71 C
ATOM 382 CD LYS B 15 16.330 19.568 12.607 1.00100.00 C
ATOM 383 CE LYS B 15 17.335 19.291 13.717 1.00 65.28 C
ATOM 384 NZ LYS B 15 16.722 19.037 15.030 1.00 93.30 N
ATOM 385 N LYS B 16 17.144 15.634 8.637 1.00 24.53 N
ATOM 386 CA LYS B 16 17.364 15.232 7.287 1.00 22.99 C
ATOM 387 C LYS B 16 16.411 14.095 6.917 1.00 36.69 C
ATOM 388 O LYS B 16 15.727 14.156 5.905 1.00 24.04 O
ATOM 389 CB LYS B 16 18.850 14.861 7.069 1.00 28.43 C
ATOM 390 CG LYS B 16 19.157 14.211 5.733 1.00 24.54 C
ATOM 391 CD LYS B 16 20.595 14.257 5.341 1.00 29.42 C
ATOM 392 CE LYS B 16 20.982 13.053 4.532 1.00 57.23 C
ATOM 393 NZ LYS B 16 20.292 11.855 5.003 1.00 69.31 N
ATOM 394 N TYR B 17 16.356 13.048 7.739 1.00 33.58 N
ATOM 395 CA TYR B 17 15.491 11.927 7.427 1.00 31.23 C
ATOM 396 C TYR B 17 14.030 12.309 7.406 1.00 39.91 C
ATOM 397 O TYR B 17 13.237 11.758 6.609 1.00 32.48 O
ATOM 398 CB TYR B 17 15.709 10.709 8.345 1.00 36.21 C
ATOM 399 CG TYR B 17 17.017 9.996 8.120 1.00 38.33 C
ATOM 400 CD1 TYR B 17 17.586 9.902 6.850 1.00 30.24 C
ATOM 401 CD2 TYR B 17 17.697 9.418 9.195 1.00 41.13 C
ATOM 402 CE1 TYR B 17 18.798 9.247 6.647 1.00 28.57 C
ATOM 403 CE2 TYR B 17 18.910 8.758 9.011 1.00 32.02 C
ATOM 404 CZ TYR B 17 19.459 8.666 7.736 1.00 47.71 C
ATOM 405 OH TYR B 17 20.658 8.011 7.579 1.00 40.94 O
ATOM 406 N HIS B 18 13.679 13.260 8.305 1.00 28.37 N
ATOM 407 CA HIS B 18 12.304 13.724 8.407 1.00 25.84 C
ATOM 408 C HIS B 18 11.902 14.448 7.133 1.00 34.91 C
ATOM 409 O HIS B 18 10.784 14.304 6.661 1.00 36.43 O
ATOM 410 CB HIS B 18 12.050 14.636 9.629 1.00 38.30 C
ATOM 411 CG HIS B 18 10.677 15.281 9.548 1.00 52.48 C
ATOM 412 ND1 HIS B 18 10.496 16.620 9.146 1.00 55.95 N
ATOM 413 CD2 HIS B 18 9.434 14.758 9.803 1.00 56.49 C
ATOM 414 CE1 HIS B 18 9.181 16.868 9.168 1.00 51.05 C
ATOM 415 NE2 HIS B 18 8.516 15.773 9.563 1.00 55.53 N
ATOM 416 N LEU B 19 12.847 15.225 6.610 1.00 26.27 N
ATOM 417 CA LEU B 19 12.694 15.981 5.385 1.00 24.63 C
ATOM 418 C LEU B 19 12.677 15.039 4.154 1.00 40.43 C
ATOM 419 O LEU B 19 11.814 15.136 3.281 1.00 46.96 O
ATOM 420 CB LEU B 19 13.779 17.023 5.260 1.00 21.66 C
ATOM 421 CG LEU B 19 13.535 18.163 6.231 1.00 28.30 C
ATOM 422 CD1 LEU B 19 14.559 19.255 5.975 1.00 38.32 C
ATOM 423 CD2 LEU B 19 12.105 18.720 6.122 1.00 26.28 C
ATOM 424 N GLU B 20 13.603 14.091 4.069 1.00 24.97 N
ATOM 425 CA GLU B 20 13.570 13.164 2.954 1.00 22.70 C
ATOM 426 C GLU B 20 12.229 12.417 2.891 1.00 34.76 C
ATOM 427 O GLU B 20 11.636 12.212 1.838 1.00 43.79 O
ATOM 428 CB GLU B 20 14.705 12.188 2.964 1.00 24.91 C
ATOM 429 CG GLU B 20 16.047 12.844 2.705 1.00 38.03 C
ATOM 430 CD GLU B 20 17.178 11.871 2.876 1.00 34.83 C
ATOM 431 OE1 GLU B 20 17.085 10.788 3.466 1.00 38.81 O
ATOM 432 OE2 GLU B 20 18.265 12.297 2.283 1.00 39.59 O
ATOM 433 N ASN B 21 11.714 11.999 4.027 1.00 39.92 N
ATOM 434 CA ASN B 21 10.447 11.305 3.987 1.00 41.61 C
ATOM 435 C ASN B 21 9.306 12.255 3.591 1.00 46.26 C
ATOM 436 O ASN B 21 8.342 11.906 2.940 1.00 48.86 O
ATOM 437 CB ASN B 21 10.124 10.617 5.337 1.00 37.16 C
ATOM 438 CG ASN B 21 11.271 9.803 5.931 1.00 78.82 C
ATOM 439 OD1 ASN B 21 11.305 9.526 7.144 1.00 43.31 O
ATOM 440 ND2 ASN B 21 12.206 9.385 5.087 1.00 49.61 N
ATOM 441 N GLU B 22 9.396 13.486 4.002 1.00 36.49 N
ATOM 442 CA GLU B 22 8.332 14.404 3.689 1.00 36.72 C
ATOM 443 C GLU B 22 8.348 14.631 2.224 1.00 41.37 C
ATOM 444 O GLU B 22 7.313 14.680 1.573 1.00 42.27 O
ATOM 445 CB GLU B 22 8.561 15.731 4.426 1.00 34.75 C
ATOM 446 CG GLU B 22 7.511 16.835 4.208 1.00 54.15 C
ATOM 447 CD GLU B 22 7.786 18.076 5.046 1.00 83.96 C
ATOM 448 OE1 GLU B 22 8.701 18.160 5.847 1.00 59.34 O
ATOM 449 OE2 GLU B 22 6.927 19.049 4.847 1.00 91.92 O
ATOM 450 N VAL B 23 9.563 14.763 1.750 1.00 32.63 N
ATOM 451 CA VAL B 23 9.826 15.015 0.371 1.00 37.05 C
ATOM 452 C VAL B 23 9.225 13.929 -0.545 1.00 62.31 C
ATOM 453 O VAL B 23 8.583 14.202 -1.569 1.00 47.59 O
ATOM 454 CB VAL B 23 11.291 15.318 0.137 1.00 33.02 C
ATOM 455 CG1 VAL B 23 11.652 14.943 -1.291 1.00 40.35 C
ATOM 456 CG2 VAL B 23 11.554 16.811 0.367 1.00 25.02 C
ATOM 457 N ALA B 24 9.422 12.686 -0.130 1.00 59.50 N
ATOM 458 CA ALA B 24 8.946 11.520 -0.830 1.00 54.42 C
ATOM 459 C ALA B 24 7.429 11.448 -0.868 1.00 62.52 C
ATOM 460 O ALA B 24 6.839 10.898 -1.784 1.00 69.07 O
ATOM 461 CB ALA B 24 9.492 10.291 -0.130 1.00 51.69 C
ATOM 462 N ARG B 25 6.814 12.008 0.152 1.00 54.60 N
ATOM 463 CA ARG B 25 5.385 12.030 0.282 1.00 52.12 C
ATOM 464 C ARG B 25 4.762 13.043 -0.652 1.00 61.62 C
ATOM 465 O ARG B 25 3.765 12.768 -1.328 1.00 63.14 O
ATOM 466 CB ARG B 25 4.997 12.397 1.705 1.00 57.64 C
ATOM 467 CG ARG B 25 4.917 11.209 2.654 1.00 61.89 C
ATOM 468 CD ARG B 25 4.311 11.590 4.008 1.00 99.94 C
ATOM 469 NE ARG B 25 5.331 11.872 5.020 1.00100.00 N
ATOM 470 CZ ARG B 25 5.573 13.066 5.574 1.00100.00 C
ATOM 471 NH1 ARG B 25 4.882 14.166 5.262 1.00 92.24 N
ATOM 472 NH2 ARG B 25 6.546 13.155 6.482 1.00 74.16 N
ATOM 473 N LEU B 26 5.350 14.239 -0.669 1.00 57.41 N
ATOM 474 CA LEU B 26 4.837 15.314 -1.504 1.00 55.95 C
ATOM 475 C LEU B 26 4.858 14.915 -2.951 1.00 47.06 C
ATOM 476 O LEU B 26 3.858 15.006 -3.652 1.00 57.32 O
ATOM 477 CB LEU B 26 5.431 16.726 -1.239 1.00 52.26 C
ATOM 478 CG LEU B 26 5.111 17.263 0.154 1.00 51.36 C
ATOM 479 CD1 LEU B 26 6.111 18.340 0.538 1.00 57.38 C
ATOM 480 CD2 LEU B 26 3.717 17.844 0.211 1.00 49.27 C
ATOM 481 N LYS B 27 6.009 14.470 -3.383 1.00 40.56 N
ATOM 482 CA LYS B 27 6.158 14.029 -4.760 1.00 49.96 C
ATOM 483 C LYS B 27 5.093 12.978 -5.081 1.00 59.29 C
ATOM 484 O LYS B 27 4.479 12.994 -6.127 1.00 58.70 O
ATOM 485 CB LYS B 27 7.554 13.513 -5.072 1.00 39.04 C
ATOM 486 CG LYS B 27 8.617 14.610 -5.112 1.00 47.15 C
ATOM 487 CD LYS B 27 10.030 14.037 -5.278 1.00 41.33 C
ATOM 488 CE LYS B 27 11.089 15.112 -5.441 1.00 86.27 C
ATOM 489 NZ LYS B 27 12.132 14.766 -6.424 1.00100.00 N
ATOM 490 N LYS B 28 4.843 12.066 -4.165 1.00 54.94 N
ATOM 491 CA LYS B 28 3.827 11.091 -4.433 1.00 55.41 C
ATOM 492 C LYS B 28 2.490 11.775 -4.750 1.00 72.46 C
ATOM 493 O LYS B 28 1.753 11.352 -5.636 1.00 86.62 O
ATOM 494 CB LYS B 28 3.671 10.088 -3.305 1.00 55.74 C
ATOM 495 CG LYS B 28 2.990 8.785 -3.716 1.00 66.65 C
ATOM 496 CD LYS B 28 3.618 7.567 -3.048 1.00100.00 C
ATOM 497 CE LYS B 28 2.720 6.340 -3.025 1.00 99.26 C
ATOM 498 NZ LYS B 28 1.995 6.173 -1.756 1.00 83.69 N
ATOM 499 N LEU B 29 2.192 12.850 -4.019 1.00 58.61 N
ATOM 500 CA LEU B 29 0.965 13.630 -4.148 1.00 45.98 C
ATOM 501 C LEU B 29 0.909 14.569 -5.373 1.00 61.62 C
ATOM 502 O LEU B 29 -0.165 15.032 -5.759 1.00 63.67 O
ATOM 503 CB LEU B 29 0.740 14.388 -2.818 1.00 43.24 C
ATOM 504 CG LEU B 29 -0.586 15.124 -2.645 1.00 47.99 C
ATOM 505 CD1 LEU B 29 -1.644 14.222 -2.027 1.00 49.18 C
ATOM 506 CD2 LEU B 29 -0.396 16.329 -1.735 1.00 49.85 C
ATOM 507 N VAL B 30 2.049 14.870 -5.994 1.00 60.86 N
ATOM 508 CA VAL B 30 2.060 15.763 -7.155 1.00 53.94 C
ATOM 509 C VAL B 30 3.030 15.215 -8.213 1.00100.00 C
ATOM 510 O VAL B 30 2.678 14.542 -9.195 1.00 93.79 O
ATOM 511 CB VAL B 30 2.451 17.199 -6.767 1.00 53.75 C
ATOM 512 CG1 VAL B 30 1.969 17.493 -5.352 1.00 54.91 C
ATOM 513 CG2 VAL B 30 3.965 17.376 -6.837 1.00 52.64 C
TER 514 VAL B 30
HETATM 515 O HOH A 54 33.197 15.698 8.178 1.00 49.15 O
HETATM 516 O HOH A 55 17.820 24.329 -2.905 1.00 55.43 O
HETATM 517 O HOH A 58 20.035 16.032 0.829 1.00 69.64 O
HETATM 518 O HOH A 61 7.644 24.943 3.564 1.00 56.27 O
HETATM 519 O HOH A 64 25.411 10.853 8.034 1.00 53.37 O
HETATM 520 O HOH A 65 15.642 14.861 -2.265 1.00 63.87 O
HETATM 521 O HOH A 66 9.852 22.428 -10.107 1.00 80.41 O
HETATM 522 O HOH A 67 36.786 16.978 7.529 1.00 72.20 O
HETATM 523 O HOH A 69 32.425 12.571 6.261 1.00 62.14 O
HETATM 524 O HOH A 70 26.980 24.767 5.498 1.00 50.70 O
HETATM 525 O HOH A 74 17.666 27.430 10.226 1.00 28.08 O
HETATM 526 O HOH A 75 41.244 17.052 17.098 1.00 92.65 O
HETATM 527 O HOH A 76 28.492 9.284 9.619 1.00 56.72 O
HETATM 528 O HOH A 79 10.714 23.204 5.600 1.00 65.98 O
HETATM 529 O HOH A 80 41.244 18.657 14.684 1.00 64.08 O
HETATM 530 O HOH A 81 35.376 23.430 9.910 1.00 56.76 O
HETATM 531 O HOH B 50 24.113 18.435 23.487 1.00 53.46 O
HETATM 532 O HOH B 51 20.015 10.838 14.790 1.00 36.72 O
HETATM 533 O HOH B 52 9.539 10.924 8.713 1.00 84.94 O
HETATM 534 O HOH B 53 21.371 19.597 22.304 1.00 57.71 O
HETATM 535 O HOH B 56 13.639 15.027 13.831 1.00 74.66 O
HETATM 536 O HOH B 57 13.556 11.791 12.224 1.00 61.65 O
HETATM 537 O HOH B 59 24.405 20.253 20.174 1.00 52.41 O
HETATM 538 O HOH B 60 21.108 14.468 20.141 1.00 45.07 O
HETATM 539 O HOH B 62 15.733 15.935 16.291 1.00 68.10 O
HETATM 540 O HOH B 63 1.153 9.907 2.633 1.00 65.30 O
HETATM 541 O HOH B 68 22.132 8.488 5.447 1.00 41.28 O
HETATM 542 O HOH B 71 15.660 8.746 4.047 1.00 43.70 O
HETATM 543 O HOH B 72 13.624 11.606 -0.104 1.00 74.39 O
HETATM 544 O HOH B 73 7.236 12.637 -9.418 1.00 48.05 O
HETATM 545 O HOH B 77 27.424 10.479 20.854 1.00 96.80 O
HETATM 546 O HOH B 78 2.033 11.354 7.006 1.00 62.13 O
HETATM 547 O HOH B 82 28.915 15.734 28.069 1.00 53.40 O
HETATM 548 O HOH B 83 17.867 11.419 16.230 1.00 91.02 O
MASTER 266 0 0 2 0 0 0 6 546 2 0 6
END