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Diffstat (limited to 'plip/test/pdb/1aku.pdb')
| -rw-r--r-- | plip/test/pdb/1aku.pdb | 1765 |
1 files changed, 1765 insertions, 0 deletions
diff --git a/plip/test/pdb/1aku.pdb b/plip/test/pdb/1aku.pdb new file mode 100644 index 0000000..3bf66d3 --- /dev/null +++ b/plip/test/pdb/1aku.pdb @@ -0,0 +1,1765 @@ +HEADER ELECTRON TRANSPORT 27-MAY-97 1AKU +TITLE D95A HYDROQUINONE FLAVODOXIN MUTANT FROM D. VULGARIS +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: FLAVODOXIN; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES; +COMPND 5 MUTATION: YES; +COMPND 6 OTHER_DETAILS: HYDROQUINONE +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS SUBSP. +SOURCE 3 VULGARIS STR. HILDENBOROUGH; +SOURCE 4 ORGANISM_TAXID: 882; +SOURCE 5 STRAIN: HILDENBOROUGH; +SOURCE 6 CELLULAR_LOCATION: CYTOPLASM; +SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; +SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; +SOURCE 9 EXPRESSION_SYSTEM_STRAIN: TG2 +KEYWDS ELECTRON TRANSPORT, ELECTRON TRANSFER, FLAVOPROTEIN, FMN, +KEYWDS 2 FLAVODOXIN, MUTANT +EXPDTA X-RAY DIFFRACTION +AUTHOR A.MCCARTHY,M.WALSH,T.HIGGINS +REVDAT 3 24-FEB-09 1AKU 1 VERSN +REVDAT 2 23-DEC-02 1AKU 1 JRNL +REVDAT 1 02-DEC-98 1AKU 0 +JRNL AUTH A.A.MCCARTHY,M.A.WALSH,C.S.VERMA,D.P.O'CONNELL, +JRNL AUTH 2 M.REINHOLD,G.N.YALLOWAY,D.D'ARCY,T.M.HIGGINS, +JRNL AUTH 3 G.VOORDOUW,S.G.MAYHEW +JRNL TITL CRYSTALLOGRAPHIC INVESTIGATION OF THE ROLE OF +JRNL TITL 2 ASPARTATE 95 IN THE MODULATION OF THE REDOX +JRNL TITL 3 POTENTIALS OF DESULFOVIBRIO VULGARIS FLAVODOXIN. +JRNL REF BIOCHEMISTRY V. 41 10950 2002 +JRNL REFN ISSN 0006-2960 +JRNL PMID 12206666 +JRNL DOI 10.1021/BI020225H +REMARK 1 +REMARK 1 REFERENCE 1 +REMARK 1 AUTH A.MCCARTHY +REMARK 1 TITL X-RAY CRYSTALLOGRAPHIC STUDIES ON THE FLAVIN +REMARK 1 TITL 2 BINDING SITE OF FLAVODOXIN FROM DESULFOVIBRIO +REMARK 1 TITL 3 VULGARIS +REMARK 1 REF THESIS, NATIONAL UNIVERSITY 1997 +REMARK 1 REF 2 OF IRELAND +REMARK 1 PUBL DUBLIN : NATIONAL UNIVERSITY OF IRELAND (THESIS) +REMARK 1 REFN +REMARK 2 +REMARK 2 RESOLUTION. 1.90 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PROLSQ +REMARK 3 AUTHORS : KONNERT,HENDRICKSON +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 12.00 +REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL +REMARK 3 COMPLETENESS FOR RANGE (%) : 98.9 +REMARK 3 NUMBER OF REFLECTIONS : 16098 +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) : 0.215 +REMARK 3 R VALUE (WORKING SET) : 0.212 +REMARK 3 FREE R VALUE : 0.270 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT : 805 +REMARK 3 +REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. +REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.2150 +REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.2120 +REMARK 3 FREE R VALUE (NO CUTOFF) : 0.270 +REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 5.000 +REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 805 +REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 16098 +REMARK 3 +REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. +REMARK 3 PROTEIN ATOMS : 1101 +REMARK 3 NUCLEIC ACID ATOMS : 0 +REMARK 3 HETEROGEN ATOMS : 41 +REMARK 3 SOLVENT ATOMS : 155 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : 21.70 +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.60 +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) : 0.15 +REMARK 3 ESD FROM SIGMAA (A) : 0.25 +REMARK 3 LOW RESOLUTION CUTOFF (A) : 12.00 +REMARK 3 +REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. +REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA +REMARK 3 BOND LENGTH (A) : 0.015 ; 0.020 +REMARK 3 ANGLE DISTANCE (A) : 0.047 ; 0.050 +REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.045 ; 0.040 +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) : 0.170 ; 0.150 +REMARK 3 +REMARK 3 NON-BONDED CONTACT RESTRAINTS. +REMARK 3 SINGLE TORSION (A) : 0.180 ; 0.300 +REMARK 3 MULTIPLE TORSION (A) : 0.260 ; 0.300 +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) : 2.340 ; 3.000 +REMARK 3 STAGGERED (DEGREES) : 19.460; 15.000 +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: NULL +REMARK 4 +REMARK 4 1AKU 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 : AUG-95 +REMARK 200 TEMPERATURE (KELVIN) : 120 +REMARK 200 PH : 7.0 +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : Y +REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG +REMARK 200 BEAMLINE : X11 +REMARK 200 X-RAY GENERATOR MODEL : NULL +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 0.937 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +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 : 16098 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 +REMARK 200 RESOLUTION RANGE LOW (A) : 10.000 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 98.9 +REMARK 200 DATA REDUNDANCY : 4.400 +REMARK 200 R MERGE (I) : 0.42000 +REMARK 200 R SYM (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 19.7800 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.92 +REMARK 200 COMPLETENESS FOR SHELL (%) : 98.0 +REMARK 200 DATA REDUNDANCY IN SHELL : 2.20 +REMARK 200 R MERGE FOR SHELL (I) : 0.32000 +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 <I/SIGMA(I)> FOR SHELL : 1.600 +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: NULL +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: AMORE +REMARK 200 STARTING MODEL: NULL +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 52.00 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.90 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 60-70% AMMONIUM SULFATE, 100MM TRIS +REMARK 280 -HCL, PH=7.0. +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X,-Y,Z+1/2 +REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 +REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 +REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 +REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 +REMARK 290 7555 Y,X,-Z +REMARK 290 8555 -Y,-X,-Z+1/2 +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 70.13000 +REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 26.30000 +REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 26.30000 +REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 105.19500 +REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 26.30000 +REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 26.30000 +REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 35.06500 +REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 26.30000 +REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 26.30000 +REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 105.19500 +REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 26.30000 +REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 26.30000 +REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 35.06500 +REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 70.13000 +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 +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 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 OE1 GLU A 32 O HOH A 259 2.01 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC +REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 +REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A +REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 +REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE +REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. +REMARK 500 +REMARK 500 DISTANCE CUTOFF: +REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS +REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE +REMARK 500 O HOH A 249 O HOH A 261 4455 1.87 +REMARK 500 O HOH A 220 O HOH A 261 4455 2.16 +REMARK 500 O HOH A 253 O HOH A 257 6565 2.19 +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 24 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES +REMARK 500 ASP A 28 CB - CG - OD1 ANGL. DEV. = 5.4 DEGREES +REMARK 500 TYR A 31 CB - CG - CD2 ANGL. DEV. = -4.9 DEGREES +REMARK 500 TYR A 31 CB - CG - CD1 ANGL. DEV. = 3.8 DEGREES +REMARK 500 GLU A 32 OE1 - CD - OE2 ANGL. DEV. = 10.2 DEGREES +REMARK 500 GLY A 61 CA - C - O ANGL. DEV. = 11.3 DEGREES +REMARK 500 ASP A 62 CB - CG - OD2 ANGL. DEV. = -7.0 DEGREES +REMARK 500 ASP A 63 CA - CB - CG ANGL. DEV. = 15.0 DEGREES +REMARK 500 ASP A 63 CB - CG - OD1 ANGL. DEV. = 7.9 DEGREES +REMARK 500 ASP A 63 CA - C - O ANGL. DEV. = 14.3 DEGREES +REMARK 500 ASP A 63 O - C - N ANGL. DEV. = -9.8 DEGREES +REMARK 500 GLU A 66 CA - CB - CG ANGL. DEV. = 13.4 DEGREES +REMARK 500 ASP A 70 CB - CG - OD2 ANGL. DEV. = 6.7 DEGREES +REMARK 500 ARG A 86 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES +REMARK 500 TYR A 98 CB - CG - CD1 ANGL. DEV. = 4.0 DEGREES +REMARK 500 ASP A 106 CB - CG - OD1 ANGL. DEV. = -7.4 DEGREES +REMARK 500 ASP A 106 CB - CG - OD2 ANGL. DEV. = 8.8 DEGREES +REMARK 500 LYS A 113 CA - CB - CG ANGL. DEV. = 15.9 DEGREES +REMARK 500 GLN A 121 CA - CB - CG ANGL. DEV. = 17.9 DEGREES +REMARK 500 ARG A 125 NE - CZ - NH1 ANGL. DEV. = -8.4 DEGREES +REMARK 500 ASP A 129 CB - CG - OD1 ANGL. DEV. = 9.7 DEGREES +REMARK 500 ASP A 129 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES +REMARK 500 ARG A 134 CG - CD - NE ANGL. DEV. = -13.3 DEGREES +REMARK 500 ARG A 134 CD - NE - CZ ANGL. DEV. = 9.4 DEGREES +REMARK 500 ARG A 134 NH1 - CZ - NH2 ANGL. DEV. = 9.4 DEGREES +REMARK 500 ARG A 134 NE - CZ - NH2 ANGL. DEV. = -7.5 DEGREES +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 SER A 64 90.70 -169.32 +REMARK 500 TYR A 100 79.32 -108.88 +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 A 228 DISTANCE = 8.12 ANGSTROMS +REMARK 800 +REMARK 800 SITE +REMARK 800 SITE_IDENTIFIER: FMN +REMARK 800 EVIDENCE_CODE: UNKNOWN +REMARK 800 SITE_DESCRIPTION: FMN CO-FACTOR. +REMARK 800 SITE_IDENTIFIER: AC1 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1 +REMARK 800 SITE_IDENTIFIER: AC2 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 149 +REMARK 800 SITE_IDENTIFIER: AC3 +REMARK 800 EVIDENCE_CODE: SOFTWARE +REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FMN A 150 +DBREF 1AKU A 2 148 UNP P00323 FLAV_DESVH 2 148 +SEQADV 1AKU ALA A 95 UNP P00323 ASP 95 ENGINEERED +SEQRES 1 A 147 PRO LYS ALA LEU ILE VAL TYR GLY SER THR THR GLY ASN +SEQRES 2 A 147 THR GLU TYR THR ALA GLU THR ILE ALA ARG GLU LEU ALA +SEQRES 3 A 147 ASP ALA GLY TYR GLU VAL ASP SER ARG ASP ALA ALA SER +SEQRES 4 A 147 VAL GLU ALA GLY GLY LEU PHE GLU GLY PHE ASP LEU VAL +SEQRES 5 A 147 LEU LEU GLY CYS SER THR TRP GLY ASP ASP SER ILE GLU +SEQRES 6 A 147 LEU GLN ASP ASP PHE ILE PRO LEU PHE ASP SER LEU GLU +SEQRES 7 A 147 GLU THR GLY ALA GLN GLY ARG LYS VAL ALA CYS PHE GLY +SEQRES 8 A 147 CYS GLY ALA SER SER TYR GLU TYR PHE CYS GLY ALA VAL +SEQRES 9 A 147 ASP ALA ILE GLU GLU LYS LEU LYS ASN LEU GLY ALA GLU +SEQRES 10 A 147 ILE VAL GLN ASP GLY LEU ARG ILE ASP GLY ASP PRO ARG +SEQRES 11 A 147 ALA ALA ARG ASP ASP ILE VAL GLY TRP ALA HIS ASP VAL +SEQRES 12 A 147 ARG GLY ALA ILE +HET SO4 A 1 5 +HET SO4 A 149 5 +HET FMN A 150 31 +HETNAM SO4 SULFATE ION +HETNAM FMN FLAVIN MONONUCLEOTIDE +HETSYN FMN RIBOFLAVIN MONOPHOSPHATE +FORMUL 2 SO4 2(O4 S 2-) +FORMUL 4 FMN C17 H21 N4 O9 P +FORMUL 5 HOH *155(H2 O) +HELIX 1 1 ASN A 14 ASP A 28 1 15 +HELIX 2 2 ALA A 38 SER A 40 5 3 +HELIX 3 3 ASP A 69 GLU A 80 1 12 +HELIX 4 4 GLY A 103 ASN A 114 1 12 +HELIX 5 5 PRO A 130 ALA A 132 5 3 +HELIX 6 6 ARG A 134 GLY A 146 1 13 +SHEET 1 A 5 GLU A 32 ASP A 37 0 +SHEET 2 A 5 LYS A 3 GLY A 9 1 N ALA A 4 O GLU A 32 +SHEET 3 A 5 LEU A 52 CYS A 57 1 N LEU A 52 O LEU A 5 +SHEET 4 A 5 VAL A 88 GLY A 94 1 N ALA A 89 O VAL A 53 +SHEET 5 A 5 LEU A 124 ASP A 127 1 N LEU A 124 O GLY A 92 +SITE 1 FMN 1 FMN A 150 +SITE 1 AC1 3 GLU A 48 GLY A 49 ARG A 86 +SITE 1 AC2 3 TYR A 17 ARG A 131 HOH A 214 +SITE 1 AC3 24 SER A 10 THR A 11 THR A 12 GLY A 13 +SITE 2 AC3 24 ASN A 14 THR A 15 ASP A 28 SER A 58 +SITE 3 AC3 24 THR A 59 TRP A 60 GLY A 61 CYS A 93 +SITE 4 AC3 24 GLY A 94 ALA A 95 TYR A 98 TYR A 100 +SITE 5 AC3 24 PHE A 101 CYS A 102 HOH A 171 HOH A 173 +SITE 6 AC3 24 HOH A 185 HOH A 195 HOH A 225 HOH A 244 +CRYST1 52.600 52.600 140.260 90.00 90.00 90.00 P 43 21 2 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 0.019011 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.019011 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.007130 0.00000 +ATOM 1 N PRO A 2 2.201 26.003 -7.393 1.00 17.99 N +ATOM 2 CA PRO A 2 3.317 26.075 -6.387 1.00 20.18 C +ATOM 3 C PRO A 2 2.936 25.266 -5.164 1.00 17.44 C +ATOM 4 O PRO A 2 1.746 24.988 -4.959 1.00 19.16 O +ATOM 5 CB PRO A 2 3.639 27.555 -6.048 1.00 19.52 C +ATOM 6 CG PRO A 2 2.890 28.318 -7.128 1.00 17.16 C +ATOM 7 CD PRO A 2 1.735 27.429 -7.543 1.00 16.46 C +ATOM 8 N LYS A 3 3.909 24.829 -4.361 1.00 22.63 N +ATOM 9 CA LYS A 3 3.693 24.043 -3.147 1.00 20.00 C +ATOM 10 C LYS A 3 4.112 24.888 -1.922 1.00 15.28 C +ATOM 11 O LYS A 3 5.285 25.243 -1.804 1.00 16.34 O +ATOM 12 CB LYS A 3 4.543 22.765 -3.055 1.00 23.35 C +ATOM 13 CG LYS A 3 4.520 22.028 -4.370 1.00 34.29 C +ATOM 14 CD LYS A 3 5.327 20.743 -4.329 1.00 48.37 C +ATOM 15 CE LYS A 3 4.998 19.927 -5.583 1.00 55.02 C +ATOM 16 NZ LYS A 3 6.077 18.988 -5.998 1.00 67.66 N +ATOM 17 N ALA A 4 3.112 25.133 -1.094 1.00 18.10 N +ATOM 18 CA ALA A 4 3.365 25.925 0.111 1.00 17.74 C +ATOM 19 C ALA A 4 3.185 25.068 1.373 1.00 17.39 C +ATOM 20 O ALA A 4 2.408 24.122 1.467 1.00 17.07 O +ATOM 21 CB ALA A 4 2.407 27.119 0.204 1.00 12.34 C +ATOM 22 N LEU A 5 3.987 25.381 2.401 1.00 15.37 N +ATOM 23 CA LEU A 5 3.899 24.735 3.695 1.00 16.24 C +ATOM 24 C LEU A 5 3.500 25.874 4.666 1.00 12.18 C +ATOM 25 O LEU A 5 4.096 26.919 4.541 1.00 13.08 O +ATOM 26 CB LEU A 5 5.267 24.297 4.169 1.00 17.07 C +ATOM 27 CG LEU A 5 5.510 23.144 5.114 1.00 20.87 C +ATOM 28 CD1 LEU A 5 6.709 23.554 5.979 1.00 19.02 C +ATOM 29 CD2 LEU A 5 4.378 22.576 5.905 1.00 13.53 C +ATOM 30 N ILE A 6 2.527 25.707 5.572 1.00 17.20 N +ATOM 31 CA ILE A 6 2.093 26.667 6.576 1.00 9.35 C +ATOM 32 C ILE A 6 2.346 25.978 7.942 1.00 10.33 C +ATOM 33 O ILE A 6 1.851 24.872 8.125 1.00 12.16 O +ATOM 34 CB ILE A 6 0.616 27.112 6.473 1.00 11.23 C +ATOM 35 CG1 ILE A 6 0.398 27.848 5.100 1.00 9.01 C +ATOM 36 CG2 ILE A 6 0.152 28.149 7.504 1.00 10.22 C +ATOM 37 CD1 ILE A 6 -1.086 28.094 4.826 1.00 8.83 C +ATOM 38 N VAL A 7 3.167 26.541 8.836 1.00 14.72 N +ATOM 39 CA VAL A 7 3.371 25.874 10.160 1.00 17.23 C +ATOM 40 C VAL A 7 2.916 26.931 11.184 1.00 14.58 C +ATOM 41 O VAL A 7 3.374 28.088 11.057 1.00 14.55 O +ATOM 42 CB VAL A 7 4.785 25.419 10.482 1.00 20.04 C +ATOM 43 CG1 VAL A 7 4.853 24.954 11.941 1.00 19.25 C +ATOM 44 CG2 VAL A 7 5.299 24.267 9.599 1.00 18.69 C +ATOM 45 N TYR A 8 1.962 26.601 12.077 1.00 15.58 N +ATOM 46 CA TYR A 8 1.505 27.626 13.021 1.00 13.53 C +ATOM 47 C TYR A 8 1.659 27.187 14.497 1.00 12.40 C +ATOM 48 O TYR A 8 1.599 25.998 14.768 1.00 11.72 O +ATOM 49 CB TYR A 8 0.037 28.109 12.734 1.00 14.19 C +ATOM 50 CG TYR A 8 -0.899 26.921 12.746 1.00 17.84 C +ATOM 51 CD1 TYR A 8 -1.038 26.140 11.587 1.00 15.69 C +ATOM 52 CD2 TYR A 8 -1.552 26.551 13.940 1.00 13.52 C +ATOM 53 CE1 TYR A 8 -1.838 25.018 11.615 1.00 17.19 C +ATOM 54 CE2 TYR A 8 -2.329 25.401 13.974 1.00 15.16 C +ATOM 55 CZ TYR A 8 -2.480 24.666 12.809 1.00 18.94 C +ATOM 56 OH TYR A 8 -3.257 23.526 12.831 1.00 15.69 O +ATOM 57 N GLY A 9 1.912 28.098 15.426 1.00 16.90 N +ATOM 58 CA GLY A 9 2.011 27.921 16.872 1.00 15.19 C +ATOM 59 C GLY A 9 0.780 28.739 17.373 1.00 11.98 C +ATOM 60 O GLY A 9 0.754 29.978 17.241 1.00 12.11 O +ATOM 61 N SER A 10 -0.218 28.088 17.971 1.00 12.52 N +ATOM 62 CA SER A 10 -1.421 28.760 18.451 1.00 11.03 C +ATOM 63 C SER A 10 -1.911 28.240 19.812 1.00 13.05 C +ATOM 64 O SER A 10 -2.069 27.008 19.907 1.00 12.25 O +ATOM 65 CB SER A 10 -2.546 28.545 17.413 1.00 8.91 C +ATOM 66 OG SER A 10 -3.573 29.488 17.816 1.00 12.44 O +ATOM 67 N THR A 11 -2.100 29.092 20.819 1.00 10.69 N +ATOM 68 CA THR A 11 -2.516 28.615 22.175 1.00 13.49 C +ATOM 69 C THR A 11 -4.035 28.687 22.294 1.00 15.49 C +ATOM 70 O THR A 11 -4.661 27.704 22.709 1.00 14.52 O +ATOM 71 CB THR A 11 -1.796 29.400 23.313 1.00 11.23 C +ATOM 72 OG1 THR A 11 -0.422 28.970 23.475 1.00 15.57 O +ATOM 73 CG2 THR A 11 -2.449 29.286 24.696 1.00 10.76 C +ATOM 74 N THR A 12 -4.673 29.790 21.975 1.00 12.10 N +ATOM 75 CA THR A 12 -6.107 30.003 22.035 1.00 14.58 C +ATOM 76 C THR A 12 -6.804 29.834 20.677 1.00 18.17 C +ATOM 77 O THR A 12 -8.027 30.065 20.669 1.00 14.81 O +ATOM 78 CB THR A 12 -6.471 31.350 22.693 1.00 18.71 C +ATOM 79 OG1 THR A 12 -6.348 32.575 21.968 1.00 19.95 O +ATOM 80 CG2 THR A 12 -5.549 31.527 23.937 1.00 15.82 C +ATOM 81 N GLY A 13 -6.059 29.496 19.623 1.00 15.79 N +ATOM 82 CA GLY A 13 -6.595 29.288 18.285 1.00 16.70 C +ATOM 83 C GLY A 13 -6.731 30.461 17.333 1.00 12.92 C +ATOM 84 O GLY A 13 -7.347 30.362 16.278 1.00 16.25 O +ATOM 85 N ASN A 14 -6.255 31.645 17.643 1.00 9.46 N +ATOM 86 CA ASN A 14 -6.375 32.824 16.786 1.00 10.76 C +ATOM 87 C ASN A 14 -5.373 32.666 15.627 1.00 15.27 C +ATOM 88 O ASN A 14 -5.775 32.834 14.469 1.00 13.58 O +ATOM 89 CB ASN A 14 -6.142 34.105 17.586 1.00 6.76 C +ATOM 90 CG ASN A 14 -7.333 34.505 18.448 1.00 12.83 C +ATOM 91 OD1 ASN A 14 -8.481 34.077 18.273 1.00 14.95 O +ATOM 92 ND2 ASN A 14 -7.017 35.377 19.392 1.00 12.54 N +ATOM 93 N THR A 15 -4.097 32.303 15.899 1.00 11.60 N +ATOM 94 CA THR A 15 -3.118 32.107 14.855 1.00 12.36 C +ATOM 95 C THR A 15 -3.499 30.857 14.056 1.00 16.94 C +ATOM 96 O THR A 15 -3.234 30.774 12.856 1.00 16.04 O +ATOM 97 CB THR A 15 -1.679 31.989 15.377 1.00 12.61 C +ATOM 98 OG1 THR A 15 -1.432 33.192 16.173 1.00 13.75 O +ATOM 99 CG2 THR A 15 -0.702 31.965 14.213 1.00 9.76 C +ATOM 100 N GLU A 16 -4.156 29.882 14.676 1.00 10.45 N +ATOM 101 CA GLU A 16 -4.578 28.727 13.891 1.00 11.69 C +ATOM 102 C GLU A 16 -5.705 29.144 12.958 1.00 17.64 C +ATOM 103 O GLU A 16 -5.715 28.677 11.812 1.00 15.38 O +ATOM 104 CB GLU A 16 -5.042 27.644 14.840 1.00 13.44 C +ATOM 105 CG GLU A 16 -5.678 26.512 14.009 1.00 14.94 C +ATOM 106 CD GLU A 16 -6.129 25.393 14.940 1.00 21.72 C +ATOM 107 OE1 GLU A 16 -6.765 25.590 16.002 1.00 25.49 O +ATOM 108 OE2 GLU A 16 -5.840 24.255 14.542 1.00 24.71 O +ATOM 109 N TYR A 17 -6.638 30.002 13.391 1.00 15.26 N +ATOM 110 CA TYR A 17 -7.725 30.490 12.561 1.00 13.35 C +ATOM 111 C TYR A 17 -7.053 31.320 11.452 1.00 16.52 C +ATOM 112 O TYR A 17 -7.530 31.214 10.316 1.00 15.61 O +ATOM 113 CB TYR A 17 -8.759 31.315 13.328 1.00 9.95 C +ATOM 114 CG TYR A 17 -9.647 32.157 12.443 1.00 12.47 C +ATOM 115 CD1 TYR A 17 -9.264 33.402 11.959 1.00 12.59 C +ATOM 116 CD2 TYR A 17 -10.921 31.663 12.115 1.00 16.89 C +ATOM 117 CE1 TYR A 17 -10.096 34.146 11.109 1.00 13.54 C +ATOM 118 CE2 TYR A 17 -11.764 32.393 11.287 1.00 16.53 C +ATOM 119 CZ TYR A 17 -11.341 33.616 10.792 1.00 18.78 C +ATOM 120 OH TYR A 17 -12.217 34.335 9.988 1.00 23.85 O +ATOM 121 N THR A 18 -6.033 32.119 11.657 1.00 16.52 N +ATOM 122 CA THR A 18 -5.348 32.900 10.608 1.00 18.36 C +ATOM 123 C THR A 18 -4.697 31.961 9.589 1.00 19.13 C +ATOM 124 O THR A 18 -4.772 32.125 8.344 1.00 18.29 O +ATOM 125 CB THR A 18 -4.281 33.806 11.241 1.00 16.65 C +ATOM 126 OG1 THR A 18 -5.006 34.616 12.216 1.00 14.28 O +ATOM 127 CG2 THR A 18 -3.611 34.773 10.279 1.00 9.00 C +ATOM 128 N ALA A 19 -4.057 30.902 10.024 1.00 13.77 N +ATOM 129 CA ALA A 19 -3.414 29.906 9.182 1.00 12.86 C +ATOM 130 C ALA A 19 -4.454 29.246 8.285 1.00 14.93 C +ATOM 131 O ALA A 19 -4.197 29.054 7.087 1.00 15.31 O +ATOM 132 CB ALA A 19 -2.725 28.798 10.001 1.00 16.42 C +ATOM 133 N GLU A 20 -5.619 28.882 8.803 1.00 14.68 N +ATOM 134 CA GLU A 20 -6.673 28.255 7.992 1.00 16.24 C +ATOM 135 C GLU A 20 -7.250 29.200 6.954 1.00 14.60 C +ATOM 136 O GLU A 20 -7.663 28.774 5.869 1.00 16.44 O +ATOM 137 CB GLU A 20 -7.844 27.808 8.851 1.00 20.51 C +ATOM 138 CG GLU A 20 -7.447 26.686 9.820 1.00 23.16 C +ATOM 139 CD GLU A 20 -8.473 26.532 10.945 1.00 31.50 C +ATOM 140 OE1 GLU A 20 -9.246 27.496 11.208 1.00 25.26 O +ATOM 141 OE2 GLU A 20 -8.464 25.422 11.556 1.00 28.73 O +ATOM 142 N THR A 21 -7.347 30.482 7.237 1.00 13.35 N +ATOM 143 CA THR A 21 -7.866 31.506 6.304 1.00 13.51 C +ATOM 144 C THR A 21 -6.867 31.661 5.143 1.00 14.76 C +ATOM 145 O THR A 21 -7.260 31.745 3.949 1.00 13.36 O +ATOM 146 CB THR A 21 -8.098 32.838 7.058 1.00 16.95 C +ATOM 147 OG1 THR A 21 -9.164 32.659 7.987 1.00 12.29 O +ATOM 148 CG2 THR A 21 -8.454 33.999 6.134 1.00 16.82 C +ATOM 149 N ILE A 22 -5.575 31.761 5.475 1.00 9.75 N +ATOM 150 CA ILE A 22 -4.453 31.842 4.540 1.00 11.94 C +ATOM 151 C ILE A 22 -4.420 30.532 3.730 1.00 12.87 C +ATOM 152 O ILE A 22 -4.282 30.587 2.489 1.00 14.71 O +ATOM 153 CB ILE A 22 -3.096 32.104 5.223 1.00 8.93 C +ATOM 154 CG1 ILE A 22 -3.009 33.518 5.844 1.00 8.35 C +ATOM 155 CG2 ILE A 22 -1.969 31.942 4.196 1.00 13.09 C +ATOM 156 CD1 ILE A 22 -1.759 33.541 6.764 1.00 10.01 C +ATOM 157 N ALA A 23 -4.588 29.313 4.293 1.00 12.31 N +ATOM 158 CA ALA A 23 -4.589 28.066 3.551 1.00 12.85 C +ATOM 159 C ALA A 23 -5.700 28.027 2.472 1.00 17.41 C +ATOM 160 O ALA A 23 -5.471 27.562 1.338 1.00 17.40 O +ATOM 161 CB ALA A 23 -4.709 26.817 4.418 1.00 9.24 C +ATOM 162 N ARG A 24 -6.894 28.466 2.793 1.00 13.94 N +ATOM 163 CA ARG A 24 -8.017 28.506 1.844 1.00 15.64 C +ATOM 164 C ARG A 24 -7.793 29.493 0.682 1.00 16.17 C +ATOM 165 O ARG A 24 -8.140 29.145 -0.457 1.00 15.04 O +ATOM 166 CB ARG A 24 -9.294 28.806 2.632 1.00 13.03 C +ATOM 167 CG ARG A 24 -10.559 28.934 1.771 1.00 14.69 C +ATOM 168 CD ARG A 24 -10.818 27.557 1.152 1.00 19.17 C +ATOM 169 NE ARG A 24 -12.010 27.666 0.269 1.00 30.00 N +ATOM 170 CZ ARG A 24 -13.256 27.480 0.732 1.00 37.44 C +ATOM 171 NH1 ARG A 24 -13.562 27.202 2.012 1.00 28.41 N +ATOM 172 NH2 ARG A 24 -14.265 27.578 -0.140 1.00 34.34 N +ATOM 173 N GLU A 25 -7.267 30.693 0.935 1.00 15.12 N +ATOM 174 CA GLU A 25 -6.957 31.687 -0.081 1.00 17.82 C +ATOM 175 C GLU A 25 -5.980 31.096 -1.110 1.00 20.59 C +ATOM 176 O GLU A 25 -6.160 31.120 -2.345 1.00 17.50 O +ATOM 177 CB GLU A 25 -6.345 32.962 0.544 1.00 14.67 C +ATOM 178 CG GLU A 25 -7.411 33.801 1.261 1.00 31.97 C +ATOM 179 CD GLU A 25 -8.603 34.134 0.348 1.00 40.34 C +ATOM 180 OE1 GLU A 25 -8.402 34.852 -0.654 1.00 40.08 O +ATOM 181 OE2 GLU A 25 -9.757 33.695 0.598 1.00 31.32 O +ATOM 182 N LEU A 26 -4.897 30.457 -0.647 1.00 18.00 N +ATOM 183 CA LEU A 26 -3.875 29.797 -1.442 1.00 19.24 C +ATOM 184 C LEU A 26 -4.442 28.605 -2.213 1.00 20.77 C +ATOM 185 O LEU A 26 -4.060 28.504 -3.406 1.00 17.21 O +ATOM 186 CB LEU A 26 -2.678 29.326 -0.588 1.00 15.99 C +ATOM 187 CG LEU A 26 -1.482 30.262 -0.466 1.00 18.33 C +ATOM 188 CD1 LEU A 26 -1.761 31.731 -0.604 1.00 13.22 C +ATOM 189 CD2 LEU A 26 -0.659 29.984 0.800 1.00 18.93 C +ATOM 190 N ALA A 27 -5.283 27.770 -1.619 1.00 18.17 N +ATOM 191 CA ALA A 27 -5.889 26.618 -2.282 1.00 14.11 C +ATOM 192 C ALA A 27 -6.902 27.033 -3.357 1.00 17.59 C +ATOM 193 O ALA A 27 -7.021 26.405 -4.438 1.00 16.28 O +ATOM 194 CB ALA A 27 -6.553 25.760 -1.227 1.00 12.35 C +ATOM 195 N ASP A 28 -7.621 28.133 -3.116 1.00 18.60 N +ATOM 196 CA ASP A 28 -8.616 28.686 -4.036 1.00 17.48 C +ATOM 197 C ASP A 28 -7.934 29.214 -5.307 1.00 19.09 C +ATOM 198 O ASP A 28 -8.562 29.299 -6.393 1.00 15.92 O +ATOM 199 CB ASP A 28 -9.408 29.852 -3.435 1.00 13.13 C +ATOM 200 CG ASP A 28 -10.489 29.364 -2.503 1.00 20.17 C +ATOM 201 OD1 ASP A 28 -10.861 28.162 -2.432 1.00 18.19 O +ATOM 202 OD2 ASP A 28 -10.960 30.271 -1.785 1.00 18.72 O +ATOM 203 N ALA A 29 -6.672 29.612 -5.170 1.00 13.37 N +ATOM 204 CA ALA A 29 -5.950 30.100 -6.341 1.00 17.10 C +ATOM 205 C ALA A 29 -5.215 28.981 -7.098 1.00 17.12 C +ATOM 206 O ALA A 29 -4.522 29.302 -8.088 1.00 19.58 O +ATOM 207 CB ALA A 29 -4.974 31.216 -5.963 1.00 17.66 C +ATOM 208 N GLY A 30 -5.313 27.711 -6.679 1.00 13.63 N +ATOM 209 CA GLY A 30 -4.651 26.583 -7.296 1.00 12.99 C +ATOM 210 C GLY A 30 -3.343 26.147 -6.636 1.00 18.66 C +ATOM 211 O GLY A 30 -2.705 25.186 -7.138 1.00 16.21 O +ATOM 212 N TYR A 31 -2.852 26.788 -5.535 1.00 13.95 N +ATOM 213 CA TYR A 31 -1.623 26.258 -4.949 1.00 15.44 C +ATOM 214 C TYR A 31 -1.923 24.902 -4.262 1.00 15.75 C +ATOM 215 O TYR A 31 -3.034 24.501 -3.900 1.00 16.03 O +ATOM 216 CB TYR A 31 -1.140 27.074 -3.747 1.00 13.84 C +ATOM 217 CG TYR A 31 -0.310 28.268 -4.096 1.00 18.02 C +ATOM 218 CD1 TYR A 31 -0.610 29.175 -5.105 1.00 15.31 C +ATOM 219 CD2 TYR A 31 0.845 28.460 -3.332 1.00 19.74 C +ATOM 220 CE1 TYR A 31 0.195 30.257 -5.350 1.00 13.81 C +ATOM 221 CE2 TYR A 31 1.669 29.533 -3.591 1.00 22.10 C +ATOM 222 CZ TYR A 31 1.338 30.432 -4.584 1.00 20.58 C +ATOM 223 OH TYR A 31 2.214 31.475 -4.765 1.00 21.31 O +ATOM 224 N GLU A 32 -0.866 24.142 -4.097 1.00 15.38 N +ATOM 225 CA GLU A 32 -0.842 22.868 -3.358 1.00 16.55 C +ATOM 226 C GLU A 32 -0.424 23.356 -1.935 1.00 17.75 C +ATOM 227 O GLU A 32 0.533 24.145 -1.749 1.00 16.09 O +ATOM 228 CB GLU A 32 0.162 21.974 -4.026 1.00 24.79 C +ATOM 229 CG GLU A 32 -0.073 20.580 -3.456 1.00 44.47 C +ATOM 230 CD GLU A 32 1.077 19.684 -3.931 1.00 53.03 C +ATOM 231 OE1 GLU A 32 1.374 19.888 -5.139 1.00 43.90 O +ATOM 232 OE2 GLU A 32 1.543 18.925 -3.040 1.00 56.05 O +ATOM 233 N VAL A 33 -1.227 23.083 -0.932 1.00 18.98 N +ATOM 234 CA VAL A 33 -1.069 23.549 0.458 1.00 20.18 C +ATOM 235 C VAL A 33 -1.022 22.461 1.541 1.00 23.43 C +ATOM 236 O VAL A 33 -1.917 21.636 1.775 1.00 22.84 O +ATOM 237 CB VAL A 33 -2.265 24.483 0.811 1.00 20.59 C +ATOM 238 CG1 VAL A 33 -2.132 25.104 2.229 1.00 20.63 C +ATOM 239 CG2 VAL A 33 -2.401 25.628 -0.203 1.00 19.39 C +ATOM 240 N ASP A 34 0.077 22.470 2.297 1.00 21.83 N +ATOM 241 CA ASP A 34 0.346 21.561 3.434 1.00 20.47 C +ATOM 242 C ASP A 34 0.342 22.425 4.732 1.00 20.29 C +ATOM 243 O ASP A 34 1.289 23.207 4.937 1.00 17.65 O +ATOM 244 CB ASP A 34 1.697 20.926 3.069 1.00 20.51 C +ATOM 245 CG ASP A 34 2.079 19.725 3.890 1.00 33.18 C +ATOM 246 OD1 ASP A 34 1.692 19.649 5.094 1.00 29.64 O +ATOM 247 OD2 ASP A 34 2.785 18.839 3.352 1.00 33.32 O +ATOM 248 N SER A 35 -0.694 22.310 5.583 1.00 15.04 N +ATOM 249 CA SER A 35 -0.817 23.142 6.805 1.00 20.09 C +ATOM 250 C SER A 35 -0.580 22.291 8.042 1.00 23.49 C +ATOM 251 O SER A 35 -1.232 21.265 8.251 1.00 25.37 O +ATOM 252 CB SER A 35 -2.153 23.892 6.665 1.00 20.07 C +ATOM 253 OG SER A 35 -2.306 24.884 7.679 1.00 38.07 O +ATOM 254 N ARG A 36 0.408 22.594 8.891 1.00 17.84 N +ATOM 255 CA ARG A 36 0.786 21.810 10.056 1.00 21.82 C +ATOM 256 C ARG A 36 0.921 22.599 11.367 1.00 16.31 C +ATOM 257 O ARG A 36 1.405 23.713 11.372 1.00 17.04 O +ATOM 258 CB ARG A 36 2.183 21.122 9.848 1.00 18.83 C +ATOM 259 CG ARG A 36 2.229 20.230 8.594 1.00 17.28 C +ATOM 260 CD ARG A 36 3.541 19.447 8.476 1.00 22.69 C +ATOM 261 NE ARG A 36 3.805 19.023 7.095 1.00 27.07 N +ATOM 262 CZ ARG A 36 4.947 18.660 6.525 1.00 26.45 C +ATOM 263 NH1 ARG A 36 6.048 18.636 7.268 1.00 24.27 N +ATOM 264 NH2 ARG A 36 5.031 18.345 5.231 1.00 22.36 N +ATOM 265 N ASP A 37 0.396 22.014 12.432 1.00 19.89 N +ATOM 266 CA ASP A 37 0.512 22.638 13.762 1.00 15.41 C +ATOM 267 C ASP A 37 1.982 22.489 14.165 1.00 13.96 C +ATOM 268 O ASP A 37 2.544 21.371 14.063 1.00 14.99 O +ATOM 269 CB ASP A 37 -0.443 21.887 14.723 1.00 19.84 C +ATOM 270 CG ASP A 37 -0.594 22.541 16.094 1.00 22.44 C +ATOM 271 OD1 ASP A 37 0.409 23.023 16.676 1.00 18.85 O +ATOM 272 OD2 ASP A 37 -1.733 22.686 16.610 1.00 21.31 O +ATOM 273 N ALA A 38 2.673 23.517 14.679 1.00 13.11 N +ATOM 274 CA ALA A 38 4.075 23.428 15.088 1.00 17.09 C +ATOM 275 C ALA A 38 4.323 22.315 16.115 1.00 21.37 C +ATOM 276 O ALA A 38 5.451 21.826 16.310 1.00 20.37 O +ATOM 277 CB ALA A 38 4.522 24.739 15.740 1.00 14.89 C +ATOM 278 N ALA A 39 3.288 21.905 16.838 1.00 20.66 N +ATOM 279 CA ALA A 39 3.334 20.860 17.860 1.00 22.28 C +ATOM 280 C ALA A 39 3.599 19.491 17.270 1.00 23.93 C +ATOM 281 O ALA A 39 4.193 18.646 17.939 1.00 25.87 O +ATOM 282 CB ALA A 39 2.005 20.787 18.628 1.00 19.91 C +ATOM 283 N SER A 40 3.233 19.233 16.041 1.00 27.70 N +ATOM 284 CA SER A 40 3.409 17.988 15.323 1.00 34.57 C +ATOM 285 C SER A 40 4.604 17.889 14.368 1.00 37.29 C +ATOM 286 O SER A 40 4.776 16.873 13.669 1.00 36.97 O +ATOM 287 CB SER A 40 2.189 17.874 14.343 1.00 40.59 C +ATOM 288 OG SER A 40 2.249 18.806 13.250 1.00 31.56 O +ATOM 289 N VAL A 41 5.396 18.941 14.287 1.00 35.13 N +ATOM 290 CA VAL A 41 6.490 19.094 13.338 1.00 32.06 C +ATOM 291 C VAL A 41 7.879 18.803 13.843 1.00 35.77 C +ATOM 292 O VAL A 41 8.197 19.001 15.024 1.00 29.31 O +ATOM 293 CB VAL A 41 6.213 20.575 12.872 1.00 28.90 C +ATOM 294 CG1 VAL A 41 7.292 21.600 13.135 1.00 25.25 C +ATOM 295 CG2 VAL A 41 5.625 20.630 11.493 1.00 25.65 C +ATOM 296 N GLU A 42 8.728 18.297 12.933 1.00 35.73 N +ATOM 297 CA GLU A 42 10.139 18.030 13.211 1.00 37.92 C +ATOM 298 C GLU A 42 10.903 19.050 12.345 1.00 36.58 C +ATOM 299 O GLU A 42 10.612 19.185 11.147 1.00 37.84 O +ATOM 300 CB GLU A 42 10.627 16.629 12.942 1.00 53.16 C +ATOM 301 CG GLU A 42 10.097 15.576 13.886 1.00 72.84 C +ATOM 302 CD GLU A 42 10.430 15.599 15.358 1.00 81.89 C +ATOM 303 OE1 GLU A 42 10.532 16.570 16.146 1.00 78.85 O +ATOM 304 OE2 GLU A 42 10.601 14.433 15.820 1.00 90.07 O +ATOM 305 N ALA A 43 11.836 19.780 12.955 1.00 33.19 N +ATOM 306 CA ALA A 43 12.554 20.797 12.204 1.00 32.24 C +ATOM 307 C ALA A 43 13.415 20.202 11.095 1.00 32.04 C +ATOM 308 O ALA A 43 13.455 20.827 10.034 1.00 31.44 O +ATOM 309 CB ALA A 43 13.393 21.719 13.085 1.00 18.78 C +ATOM 310 N GLY A 44 14.077 19.080 11.304 1.00 30.86 N +ATOM 311 CA GLY A 44 14.974 18.439 10.361 1.00 32.46 C +ATOM 312 C GLY A 44 14.526 18.381 8.926 1.00 28.09 C +ATOM 313 O GLY A 44 13.653 17.572 8.595 1.00 31.87 O +ATOM 314 N GLY A 45 15.095 19.228 8.075 1.00 31.03 N +ATOM 315 CA GLY A 45 14.757 19.350 6.650 1.00 29.84 C +ATOM 316 C GLY A 45 13.271 19.674 6.429 1.00 26.17 C +ATOM 317 O GLY A 45 12.699 19.422 5.346 1.00 25.38 O +ATOM 318 N LEU A 46 12.575 20.279 7.379 1.00 20.48 N +ATOM 319 CA LEU A 46 11.147 20.560 7.220 1.00 21.21 C +ATOM 320 C LEU A 46 10.694 21.315 5.967 1.00 21.53 C +ATOM 321 O LEU A 46 9.584 21.018 5.457 1.00 20.34 O +ATOM 322 CB LEU A 46 10.719 21.296 8.503 1.00 18.13 C +ATOM 323 CG LEU A 46 9.253 21.661 8.706 1.00 18.59 C +ATOM 324 CD1 LEU A 46 8.347 20.453 8.745 1.00 18.56 C +ATOM 325 CD2 LEU A 46 9.206 22.512 9.967 1.00 22.50 C +ATOM 326 N PHE A 47 11.464 22.307 5.504 1.00 17.30 N +ATOM 327 CA PHE A 47 11.092 23.127 4.379 1.00 20.87 C +ATOM 328 C PHE A 47 11.467 22.532 3.026 1.00 22.09 C +ATOM 329 O PHE A 47 11.211 23.161 2.002 1.00 23.16 O +ATOM 330 CB PHE A 47 11.743 24.518 4.489 1.00 18.94 C +ATOM 331 CG PHE A 47 11.508 25.276 5.771 1.00 14.91 C +ATOM 332 CD1 PHE A 47 10.511 24.918 6.664 1.00 14.35 C +ATOM 333 CD2 PHE A 47 12.275 26.405 6.034 1.00 17.38 C +ATOM 334 CE1 PHE A 47 10.312 25.643 7.820 1.00 20.19 C +ATOM 335 CE2 PHE A 47 12.054 27.147 7.180 1.00 22.76 C +ATOM 336 CZ PHE A 47 11.068 26.774 8.103 1.00 13.24 C +ATOM 337 N GLU A 48 12.098 21.370 3.074 1.00 22.15 N +ATOM 338 CA GLU A 48 12.539 20.722 1.839 1.00 26.56 C +ATOM 339 C GLU A 48 11.322 20.351 0.988 1.00 25.47 C +ATOM 340 O GLU A 48 10.286 19.843 1.406 1.00 22.04 O +ATOM 341 CB GLU A 48 13.539 19.581 2.059 1.00 23.91 C +ATOM 342 CG GLU A 48 14.929 20.153 2.317 1.00 35.14 C +ATOM 343 CD GLU A 48 15.990 19.313 3.015 1.00 42.27 C +ATOM 344 OE1 GLU A 48 15.716 18.097 3.203 1.00 39.14 O +ATOM 345 OE2 GLU A 48 17.066 19.901 3.376 1.00 42.12 O +ATOM 346 N GLY A 49 11.495 20.716 -0.285 1.00 25.45 N +ATOM 347 CA GLY A 49 10.513 20.501 -1.335 1.00 23.62 C +ATOM 348 C GLY A 49 9.437 21.568 -1.384 1.00 24.99 C +ATOM 349 O GLY A 49 8.511 21.292 -2.153 1.00 24.44 O +ATOM 350 N PHE A 50 9.501 22.689 -0.655 1.00 25.43 N +ATOM 351 CA PHE A 50 8.453 23.702 -0.688 1.00 21.48 C +ATOM 352 C PHE A 50 8.862 24.958 -1.437 1.00 19.39 C +ATOM 353 O PHE A 50 9.998 25.434 -1.258 1.00 16.71 O +ATOM 354 CB PHE A 50 7.987 24.064 0.752 1.00 14.07 C +ATOM 355 CG PHE A 50 7.178 22.946 1.322 1.00 14.11 C +ATOM 356 CD1 PHE A 50 5.841 22.764 0.952 1.00 12.30 C +ATOM 357 CD2 PHE A 50 7.768 22.068 2.227 1.00 17.88 C +ATOM 358 CE1 PHE A 50 5.162 21.674 1.481 1.00 16.02 C +ATOM 359 CE2 PHE A 50 7.068 21.002 2.768 1.00 16.62 C +ATOM 360 CZ PHE A 50 5.745 20.794 2.389 1.00 14.57 C +ATOM 361 N ASP A 51 7.936 25.527 -2.245 1.00 15.85 N +ATOM 362 CA ASP A 51 8.250 26.748 -2.975 1.00 14.31 C +ATOM 363 C ASP A 51 8.098 27.983 -2.084 1.00 14.20 C +ATOM 364 O ASP A 51 8.738 29.025 -2.258 1.00 14.68 O +ATOM 365 CB ASP A 51 7.340 26.938 -4.232 1.00 16.19 C +ATOM 366 CG ASP A 51 7.509 25.751 -5.175 1.00 23.17 C +ATOM 367 OD1 ASP A 51 8.637 25.470 -5.695 1.00 22.25 O +ATOM 368 OD2 ASP A 51 6.521 25.017 -5.395 1.00 18.40 O +ATOM 369 N LEU A 52 7.168 27.829 -1.138 1.00 14.83 N +ATOM 370 CA LEU A 52 6.883 28.904 -0.211 1.00 15.68 C +ATOM 371 C LEU A 52 6.598 28.253 1.169 1.00 14.61 C +ATOM 372 O LEU A 52 5.938 27.225 1.268 1.00 16.58 O +ATOM 373 CB LEU A 52 5.573 29.572 -0.613 1.00 15.18 C +ATOM 374 CG LEU A 52 5.180 31.006 -0.384 1.00 20.01 C +ATOM 375 CD1 LEU A 52 3.709 31.109 -0.014 1.00 18.94 C +ATOM 376 CD2 LEU A 52 6.056 31.892 0.456 1.00 12.50 C +ATOM 377 N VAL A 53 7.107 28.905 2.206 1.00 17.35 N +ATOM 378 CA VAL A 53 6.907 28.446 3.601 1.00 15.40 C +ATOM 379 C VAL A 53 6.394 29.655 4.387 1.00 15.62 C +ATOM 380 O VAL A 53 7.004 30.761 4.366 1.00 13.34 O +ATOM 381 CB VAL A 53 8.183 27.826 4.214 1.00 23.32 C +ATOM 382 CG1 VAL A 53 7.932 27.528 5.695 1.00 13.20 C +ATOM 383 CG2 VAL A 53 8.683 26.546 3.521 1.00 15.35 C +ATOM 384 N LEU A 54 5.215 29.518 5.046 1.00 14.79 N +ATOM 385 CA LEU A 54 4.563 30.564 5.840 1.00 13.31 C +ATOM 386 C LEU A 54 4.544 30.086 7.304 1.00 13.16 C +ATOM 387 O LEU A 54 4.076 28.995 7.665 1.00 14.81 O +ATOM 388 CB LEU A 54 3.156 30.837 5.312 1.00 11.37 C +ATOM 389 CG LEU A 54 3.092 31.333 3.846 1.00 9.35 C +ATOM 390 CD1 LEU A 54 1.583 31.558 3.544 1.00 11.84 C +ATOM 391 CD2 LEU A 54 3.866 32.593 3.594 1.00 8.10 C +ATOM 392 N LEU A 55 5.124 30.909 8.169 1.00 13.84 N +ATOM 393 CA LEU A 55 5.269 30.591 9.612 1.00 12.59 C +ATOM 394 C LEU A 55 4.423 31.531 10.432 1.00 9.02 C +ATOM 395 O LEU A 55 4.571 32.775 10.349 1.00 12.02 O +ATOM 396 CB LEU A 55 6.777 30.740 9.924 1.00 13.75 C +ATOM 397 CG LEU A 55 7.717 29.567 9.934 1.00 21.66 C +ATOM 398 CD1 LEU A 55 7.364 28.301 9.170 1.00 15.65 C +ATOM 399 CD2 LEU A 55 9.170 29.960 9.647 1.00 24.30 C +ATOM 400 N GLY A 56 3.550 30.895 11.229 1.00 13.06 N +ATOM 401 CA GLY A 56 2.626 31.648 12.071 1.00 9.14 C +ATOM 402 C GLY A 56 2.910 31.459 13.571 1.00 11.51 C +ATOM 403 O GLY A 56 3.126 30.318 13.950 1.00 11.18 O +ATOM 404 N CYS A 57 2.922 32.527 14.339 1.00 12.33 N +ATOM 405 CA CYS A 57 3.219 32.456 15.790 1.00 13.79 C +ATOM 406 C CYS A 57 2.704 33.644 16.574 1.00 8.84 C +ATOM 407 O CYS A 57 2.904 34.844 16.274 1.00 12.01 O +ATOM 408 CB CYS A 57 4.779 32.309 15.926 1.00 11.36 C +ATOM 409 SG CYS A 57 5.223 31.892 17.667 1.00 13.50 S +ATOM 410 N SER A 58 1.972 33.354 17.687 1.00 14.10 N +ATOM 411 CA SER A 58 1.464 34.393 18.632 1.00 13.40 C +ATOM 412 C SER A 58 2.571 34.775 19.642 1.00 11.75 C +ATOM 413 O SER A 58 3.548 34.039 19.843 1.00 11.33 O +ATOM 414 CB SER A 58 0.153 34.010 19.361 1.00 7.32 C +ATOM 415 OG SER A 58 0.305 32.720 19.999 1.00 12.04 O +ATOM 416 N THR A 59 2.493 35.955 20.268 1.00 9.84 N +ATOM 417 CA THR A 59 3.436 36.551 21.192 1.00 12.32 C +ATOM 418 C THR A 59 2.849 36.495 22.639 1.00 17.25 C +ATOM 419 O THR A 59 1.651 36.653 22.922 1.00 8.12 O +ATOM 420 CB THR A 59 3.687 38.028 20.837 1.00 11.89 C +ATOM 421 OG1 THR A 59 4.130 37.977 19.454 1.00 16.76 O +ATOM 422 CG2 THR A 59 4.803 38.634 21.686 1.00 11.72 C +ATOM 423 N TRP A 60 3.725 36.117 23.558 1.00 14.15 N +ATOM 424 CA TRP A 60 3.482 35.864 24.979 1.00 16.76 C +ATOM 425 C TRP A 60 4.508 36.583 25.853 1.00 17.90 C +ATOM 426 O TRP A 60 5.415 37.257 25.329 1.00 13.29 O +ATOM 427 CB TRP A 60 3.462 34.296 25.204 1.00 7.81 C +ATOM 428 CG TRP A 60 2.269 33.701 24.512 1.00 11.61 C +ATOM 429 CD1 TRP A 60 2.290 33.200 23.216 1.00 11.27 C +ATOM 430 CD2 TRP A 60 0.899 33.675 24.926 1.00 14.30 C +ATOM 431 NE1 TRP A 60 1.030 32.866 22.821 1.00 12.24 N +ATOM 432 CE2 TRP A 60 0.144 33.133 23.868 1.00 13.78 C +ATOM 433 CE3 TRP A 60 0.244 34.070 26.113 1.00 9.37 C +ATOM 434 CZ2 TRP A 60 -1.223 32.932 23.934 1.00 11.49 C +ATOM 435 CZ3 TRP A 60 -1.129 33.863 26.189 1.00 9.00 C +ATOM 436 CH2 TRP A 60 -1.869 33.315 25.101 1.00 14.29 C +ATOM 437 N GLY A 61 4.388 36.455 27.193 1.00 14.79 N +ATOM 438 CA GLY A 61 5.384 37.158 28.006 1.00 14.60 C +ATOM 439 C GLY A 61 4.779 38.509 28.371 1.00 20.72 C +ATOM 440 O GLY A 61 3.828 39.132 27.912 1.00 19.15 O +ATOM 441 N ASP A 62 5.454 39.045 29.391 1.00 25.06 N +ATOM 442 CA ASP A 62 5.038 40.362 29.884 1.00 23.96 C +ATOM 443 C ASP A 62 6.085 41.370 29.466 1.00 28.48 C +ATOM 444 O ASP A 62 7.069 41.675 30.168 1.00 26.17 O +ATOM 445 CB ASP A 62 4.879 40.261 31.381 1.00 35.60 C +ATOM 446 CG ASP A 62 4.371 41.563 31.988 1.00 42.07 C +ATOM 447 OD1 ASP A 62 3.816 42.426 31.262 1.00 46.07 O +ATOM 448 OD2 ASP A 62 4.585 41.605 33.223 1.00 42.46 O +ATOM 449 N ASP A 63 5.915 41.872 28.243 1.00 36.06 N +ATOM 450 CA ASP A 63 6.854 42.842 27.632 1.00 42.24 C +ATOM 451 C ASP A 63 8.315 42.390 27.876 1.00 43.27 C +ATOM 452 O ASP A 63 9.305 42.910 28.408 1.00 40.47 O +ATOM 453 CB ASP A 63 6.503 44.261 28.037 1.00 52.78 C +ATOM 454 CG ASP A 63 5.166 44.956 27.956 1.00 58.52 C +ATOM 455 OD1 ASP A 63 4.213 44.648 27.193 1.00 57.34 O +ATOM 456 OD2 ASP A 63 5.036 45.958 28.748 1.00 62.32 O +ATOM 457 N SER A 64 8.555 41.161 27.424 1.00 40.36 N +ATOM 458 CA SER A 64 9.701 40.284 27.394 1.00 33.69 C +ATOM 459 C SER A 64 9.148 39.188 26.440 1.00 33.26 C +ATOM 460 O SER A 64 8.459 38.291 26.928 1.00 33.77 O +ATOM 461 CB SER A 64 10.089 39.765 28.740 1.00 18.25 C +ATOM 462 OG SER A 64 11.321 39.104 28.662 1.00 23.38 O +ATOM 463 N ILE A 65 9.425 39.436 25.162 1.00 31.28 N +ATOM 464 CA ILE A 65 8.887 38.546 24.136 1.00 30.91 C +ATOM 465 C ILE A 65 9.182 37.082 24.437 1.00 26.51 C +ATOM 466 O ILE A 65 10.287 36.646 24.712 1.00 26.14 O +ATOM 467 CB ILE A 65 9.362 38.890 22.709 1.00 23.55 C +ATOM 468 CG1 ILE A 65 8.837 40.255 22.239 1.00 20.55 C +ATOM 469 CG2 ILE A 65 8.982 37.855 21.648 1.00 25.67 C +ATOM 470 CD1 ILE A 65 9.792 40.769 21.179 1.00 16.61 C +ATOM 471 N GLU A 66 8.137 36.290 24.387 1.00 22.86 N +ATOM 472 CA GLU A 66 8.204 34.830 24.568 1.00 22.81 C +ATOM 473 C GLU A 66 7.415 34.278 23.334 1.00 20.55 C +ATOM 474 O GLU A 66 6.339 34.806 23.021 1.00 19.69 O +ATOM 475 CB GLU A 66 7.606 34.343 25.882 1.00 26.32 C +ATOM 476 CG GLU A 66 8.359 33.921 27.113 1.00 48.80 C +ATOM 477 CD GLU A 66 7.938 34.494 28.458 1.00 49.68 C +ATOM 478 OE1 GLU A 66 6.969 33.956 29.038 1.00 45.93 O +ATOM 479 OE2 GLU A 66 8.544 35.465 29.011 1.00 51.18 O +ATOM 480 N LEU A 67 7.882 33.267 22.621 1.00 20.75 N +ATOM 481 CA LEU A 67 7.142 32.676 21.500 1.00 18.92 C +ATOM 482 C LEU A 67 6.078 31.696 21.988 1.00 18.54 C +ATOM 483 O LEU A 67 6.221 31.155 23.100 1.00 16.14 O +ATOM 484 CB LEU A 67 8.147 31.940 20.601 1.00 17.09 C +ATOM 485 CG LEU A 67 8.814 32.719 19.468 1.00 21.10 C +ATOM 486 CD1 LEU A 67 9.295 34.123 19.829 1.00 17.74 C +ATOM 487 CD2 LEU A 67 9.896 31.813 18.865 1.00 20.43 C +ATOM 488 N GLN A 68 5.001 31.476 21.238 1.00 16.75 N +ATOM 489 CA GLN A 68 3.957 30.513 21.567 1.00 16.66 C +ATOM 490 C GLN A 68 4.668 29.169 21.841 1.00 15.62 C +ATOM 491 O GLN A 68 5.621 28.779 21.154 1.00 13.40 O +ATOM 492 CB GLN A 68 2.896 30.430 20.485 1.00 13.61 C +ATOM 493 CG GLN A 68 1.679 29.590 20.685 1.00 9.15 C +ATOM 494 CD GLN A 68 1.776 28.096 20.646 1.00 9.24 C +ATOM 495 OE1 GLN A 68 1.033 27.304 21.321 1.00 13.20 O +ATOM 496 NE2 GLN A 68 2.658 27.611 19.808 1.00 10.14 N +ATOM 497 N ASP A 69 4.226 28.500 22.919 1.00 13.63 N +ATOM 498 CA ASP A 69 4.802 27.268 23.444 1.00 13.80 C +ATOM 499 C ASP A 69 5.214 26.169 22.493 1.00 15.87 C +ATOM 500 O ASP A 69 6.350 25.624 22.542 1.00 14.61 O +ATOM 501 CB ASP A 69 3.876 26.719 24.569 1.00 10.81 C +ATOM 502 CG ASP A 69 4.515 25.597 25.331 1.00 15.81 C +ATOM 503 OD1 ASP A 69 5.534 25.801 26.007 1.00 20.85 O +ATOM 504 OD2 ASP A 69 4.056 24.460 25.187 1.00 19.51 O +ATOM 505 N ASP A 70 4.323 25.786 21.596 1.00 15.64 N +ATOM 506 CA ASP A 70 4.545 24.762 20.595 1.00 13.07 C +ATOM 507 C ASP A 70 5.532 25.233 19.540 1.00 13.90 C +ATOM 508 O ASP A 70 6.164 24.323 18.982 1.00 19.31 O +ATOM 509 CB ASP A 70 3.207 24.462 19.934 1.00 14.93 C +ATOM 510 CG ASP A 70 2.148 23.933 20.858 1.00 16.36 C +ATOM 511 OD1 ASP A 70 2.453 22.978 21.604 1.00 20.35 O +ATOM 512 OD2 ASP A 70 0.964 24.310 20.874 1.00 17.12 O +ATOM 513 N PHE A 71 5.663 26.530 19.270 1.00 13.62 N +ATOM 514 CA PHE A 71 6.597 26.991 18.254 1.00 11.23 C +ATOM 515 C PHE A 71 8.037 27.049 18.708 1.00 17.56 C +ATOM 516 O PHE A 71 9.024 27.007 17.942 1.00 14.15 O +ATOM 517 CB PHE A 71 6.126 28.407 17.875 1.00 10.88 C +ATOM 518 CG PHE A 71 6.561 28.698 16.460 1.00 15.05 C +ATOM 519 CD1 PHE A 71 7.803 29.240 16.206 1.00 18.27 C +ATOM 520 CD2 PHE A 71 5.705 28.368 15.406 1.00 13.16 C +ATOM 521 CE1 PHE A 71 8.256 29.492 14.910 1.00 17.01 C +ATOM 522 CE2 PHE A 71 6.145 28.629 14.116 1.00 17.57 C +ATOM 523 CZ PHE A 71 7.402 29.186 13.866 1.00 13.24 C +ATOM 524 N ILE A 72 8.279 27.153 20.038 1.00 18.59 N +ATOM 525 CA ILE A 72 9.639 27.260 20.580 1.00 16.77 C +ATOM 526 C ILE A 72 10.637 26.265 20.054 1.00 18.35 C +ATOM 527 O ILE A 72 11.720 26.654 19.552 1.00 19.43 O +ATOM 528 CB ILE A 72 9.647 27.366 22.125 1.00 19.65 C +ATOM 529 CG1 ILE A 72 8.989 28.668 22.552 1.00 15.33 C +ATOM 530 CG2 ILE A 72 11.057 27.324 22.737 1.00 18.74 C +ATOM 531 CD1 ILE A 72 8.658 28.632 24.063 1.00 14.68 C +ATOM 532 N PRO A 73 10.401 24.960 20.109 1.00 20.08 N +ATOM 533 CA PRO A 73 11.283 23.915 19.590 1.00 21.89 C +ATOM 534 C PRO A 73 11.678 24.121 18.118 1.00 22.99 C +ATOM 535 O PRO A 73 12.873 23.993 17.762 1.00 16.25 O +ATOM 536 CB PRO A 73 10.618 22.546 19.843 1.00 17.90 C +ATOM 537 CG PRO A 73 9.546 22.939 20.836 1.00 18.32 C +ATOM 538 CD PRO A 73 9.184 24.400 20.684 1.00 20.11 C +ATOM 539 N LEU A 74 10.703 24.461 17.263 1.00 21.37 N +ATOM 540 CA LEU A 74 11.002 24.732 15.841 1.00 18.93 C +ATOM 541 C LEU A 74 11.892 25.946 15.701 1.00 20.45 C +ATOM 542 O LEU A 74 12.907 25.902 14.987 1.00 19.08 O +ATOM 543 CB LEU A 74 9.697 24.902 15.054 1.00 19.25 C +ATOM 544 CG LEU A 74 9.909 25.243 13.547 1.00 17.71 C +ATOM 545 CD1 LEU A 74 10.712 24.155 12.861 1.00 19.27 C +ATOM 546 CD2 LEU A 74 8.485 25.447 13.056 1.00 14.79 C +ATOM 547 N PHE A 75 11.567 27.064 16.405 1.00 16.33 N +ATOM 548 CA PHE A 75 12.391 28.260 16.346 1.00 12.95 C +ATOM 549 C PHE A 75 13.815 27.891 16.769 1.00 20.84 C +ATOM 550 O PHE A 75 14.819 28.325 16.186 1.00 19.22 O +ATOM 551 CB PHE A 75 11.893 29.398 17.272 1.00 15.68 C +ATOM 552 CG PHE A 75 12.679 30.688 17.281 1.00 20.79 C +ATOM 553 CD1 PHE A 75 12.463 31.709 16.356 1.00 20.21 C +ATOM 554 CD2 PHE A 75 13.673 30.925 18.246 1.00 26.22 C +ATOM 555 CE1 PHE A 75 13.146 32.898 16.374 1.00 18.96 C +ATOM 556 CE2 PHE A 75 14.377 32.120 18.292 1.00 20.51 C +ATOM 557 CZ PHE A 75 14.120 33.120 17.355 1.00 25.49 C +ATOM 558 N ASP A 76 13.947 27.078 17.841 1.00 19.54 N +ATOM 559 CA ASP A 76 15.269 26.684 18.322 1.00 26.12 C +ATOM 560 C ASP A 76 16.108 25.878 17.326 1.00 26.43 C +ATOM 561 O ASP A 76 17.343 25.939 17.385 1.00 28.29 O +ATOM 562 CB ASP A 76 15.163 25.912 19.654 1.00 26.26 C +ATOM 563 CG ASP A 76 14.921 26.796 20.877 1.00 32.04 C +ATOM 564 OD1 ASP A 76 15.147 28.045 20.817 1.00 26.24 O +ATOM 565 OD2 ASP A 76 14.494 26.152 21.895 1.00 36.64 O +ATOM 566 N SER A 77 15.436 25.109 16.475 1.00 24.12 N +ATOM 567 CA SER A 77 16.167 24.324 15.471 1.00 23.21 C +ATOM 568 C SER A 77 15.930 24.838 14.066 1.00 19.95 C +ATOM 569 O SER A 77 16.011 24.056 13.124 1.00 21.31 O +ATOM 570 CB SER A 77 15.646 22.880 15.603 1.00 22.11 C +ATOM 571 OG SER A 77 15.957 22.553 16.965 1.00 33.85 O +ATOM 572 N LEU A 78 15.640 26.113 13.846 1.00 18.28 N +ATOM 573 CA LEU A 78 15.372 26.667 12.538 1.00 17.12 C +ATOM 574 C LEU A 78 16.522 26.526 11.558 1.00 22.71 C +ATOM 575 O LEU A 78 16.340 26.523 10.337 1.00 19.39 O +ATOM 576 CB LEU A 78 15.023 28.141 12.626 1.00 18.01 C +ATOM 577 CG LEU A 78 13.585 28.602 12.491 1.00 19.73 C +ATOM 578 CD1 LEU A 78 13.668 30.098 12.211 1.00 20.94 C +ATOM 579 CD2 LEU A 78 12.773 27.784 11.531 1.00 9.46 C +ATOM 580 N GLU A 79 17.743 26.422 12.068 1.00 23.23 N +ATOM 581 CA GLU A 79 18.969 26.242 11.321 1.00 26.93 C +ATOM 582 C GLU A 79 18.992 24.856 10.658 1.00 25.31 C +ATOM 583 O GLU A 79 19.836 24.662 9.750 1.00 28.09 O +ATOM 584 CB GLU A 79 20.263 26.491 12.123 1.00 26.12 C +ATOM 585 CG GLU A 79 20.593 25.548 13.244 1.00 42.49 C +ATOM 586 CD GLU A 79 19.744 25.494 14.505 1.00 43.90 C +ATOM 587 OE1 GLU A 79 18.976 26.460 14.791 1.00 38.35 O +ATOM 588 OE2 GLU A 79 19.866 24.465 15.241 1.00 43.54 O +ATOM 589 N GLU A 80 18.111 23.923 11.005 1.00 21.29 N +ATOM 590 CA GLU A 80 18.070 22.609 10.393 1.00 24.10 C +ATOM 591 C GLU A 80 16.932 22.448 9.354 1.00 23.32 C +ATOM 592 O GLU A 80 16.804 21.378 8.737 1.00 20.67 O +ATOM 593 CB GLU A 80 17.820 21.500 11.410 1.00 26.63 C +ATOM 594 CG GLU A 80 18.700 21.201 12.612 1.00 49.64 C +ATOM 595 CD GLU A 80 17.957 20.152 13.457 1.00 62.32 C +ATOM 596 OE1 GLU A 80 17.906 18.965 13.026 1.00 72.13 O +ATOM 597 OE2 GLU A 80 17.384 20.480 14.522 1.00 69.37 O +ATOM 598 N THR A 81 16.079 23.456 9.166 1.00 22.22 N +ATOM 599 CA THR A 81 14.921 23.341 8.291 1.00 18.26 C +ATOM 600 C THR A 81 15.171 23.450 6.788 1.00 21.61 C +ATOM 601 O THR A 81 14.302 23.050 5.995 1.00 22.09 O +ATOM 602 CB THR A 81 13.884 24.411 8.728 1.00 15.95 C +ATOM 603 OG1 THR A 81 14.549 25.685 8.559 1.00 15.10 O +ATOM 604 CG2 THR A 81 13.307 24.256 10.127 1.00 14.47 C +ATOM 605 N GLY A 82 16.315 24.011 6.420 1.00 22.06 N +ATOM 606 CA GLY A 82 16.610 24.227 4.999 1.00 23.39 C +ATOM 607 C GLY A 82 15.988 25.567 4.575 1.00 20.03 C +ATOM 608 O GLY A 82 15.306 25.647 3.535 1.00 22.28 O +ATOM 609 N ALA A 83 16.200 26.628 5.325 1.00 17.37 N +ATOM 610 CA ALA A 83 15.656 27.954 5.060 1.00 16.27 C +ATOM 611 C ALA A 83 16.538 28.751 4.126 1.00 14.45 C +ATOM 612 O ALA A 83 16.145 29.758 3.572 1.00 19.04 O +ATOM 613 CB ALA A 83 15.614 28.798 6.363 1.00 21.87 C +ATOM 614 N GLN A 84 17.802 28.383 3.969 1.00 16.26 N +ATOM 615 CA GLN A 84 18.697 29.116 3.096 1.00 18.84 C +ATOM 616 C GLN A 84 18.123 29.182 1.683 1.00 19.91 C +ATOM 617 O GLN A 84 17.809 28.131 1.106 1.00 19.89 O +ATOM 618 CB GLN A 84 20.039 28.375 3.117 1.00 24.79 C +ATOM 619 CG GLN A 84 21.205 28.903 2.342 1.00 39.36 C +ATOM 620 CD GLN A 84 21.833 30.238 2.639 1.00 52.59 C +ATOM 621 OE1 GLN A 84 21.619 31.233 1.895 1.00 61.51 O +ATOM 622 NE2 GLN A 84 22.653 30.326 3.699 1.00 56.20 N +ATOM 623 N GLY A 85 17.933 30.363 1.107 1.00 22.13 N +ATOM 624 CA GLY A 85 17.398 30.508 -0.253 1.00 24.35 C +ATOM 625 C GLY A 85 15.918 30.238 -0.407 1.00 22.39 C +ATOM 626 O GLY A 85 15.396 30.301 -1.517 1.00 24.39 O +ATOM 627 N ARG A 86 15.226 29.928 0.674 1.00 22.32 N +ATOM 628 CA ARG A 86 13.805 29.618 0.697 1.00 19.56 C +ATOM 629 C ARG A 86 12.967 30.880 0.789 1.00 20.88 C +ATOM 630 O ARG A 86 13.335 31.804 1.551 1.00 19.30 O +ATOM 631 CB ARG A 86 13.471 28.729 1.891 1.00 18.63 C +ATOM 632 CG ARG A 86 12.067 28.211 1.972 1.00 19.52 C +ATOM 633 CD ARG A 86 11.904 26.885 1.258 1.00 24.30 C +ATOM 634 NE ARG A 86 13.037 25.988 1.451 1.00 25.86 N +ATOM 635 CZ ARG A 86 13.306 24.914 0.730 1.00 26.55 C +ATOM 636 NH1 ARG A 86 12.594 24.500 -0.303 1.00 18.08 N +ATOM 637 NH2 ARG A 86 14.346 24.131 0.993 1.00 28.13 N +ATOM 638 N LYS A 87 11.885 30.859 -0.031 1.00 15.85 N +ATOM 639 CA LYS A 87 10.962 31.995 -0.013 1.00 16.26 C +ATOM 640 C LYS A 87 10.000 31.719 1.174 1.00 14.68 C +ATOM 641 O LYS A 87 9.385 30.638 1.230 1.00 12.11 O +ATOM 642 CB LYS A 87 10.088 32.128 -1.285 1.00 21.25 C +ATOM 643 CG LYS A 87 10.991 32.580 -2.442 1.00 22.93 C +ATOM 644 CD LYS A 87 10.255 32.546 -3.772 1.00 31.37 C +ATOM 645 CE LYS A 87 11.252 32.076 -4.820 1.00 44.79 C +ATOM 646 NZ LYS A 87 11.490 33.105 -5.870 1.00 59.03 N +ATOM 647 N VAL A 88 10.020 32.721 2.059 1.00 16.58 N +ATOM 648 CA VAL A 88 9.258 32.696 3.304 1.00 16.63 C +ATOM 649 C VAL A 88 8.554 34.000 3.627 1.00 14.35 C +ATOM 650 O VAL A 88 8.870 35.120 3.184 1.00 18.98 O +ATOM 651 CB VAL A 88 10.226 32.347 4.508 1.00 14.67 C +ATOM 652 CG1 VAL A 88 11.181 31.171 4.301 1.00 13.89 C +ATOM 653 CG2 VAL A 88 11.097 33.539 4.869 1.00 14.77 C +ATOM 654 N ALA A 89 7.518 33.952 4.487 1.00 14.31 N +ATOM 655 CA ALA A 89 6.799 35.140 4.965 1.00 15.43 C +ATOM 656 C ALA A 89 6.225 34.714 6.355 1.00 14.09 C +ATOM 657 O ALA A 89 5.953 33.526 6.575 1.00 11.69 O +ATOM 658 CB ALA A 89 5.739 35.738 4.060 1.00 14.79 C +ATOM 659 N CYS A 90 6.075 35.689 7.260 1.00 15.80 N +ATOM 660 CA CYS A 90 5.558 35.341 8.609 1.00 16.72 C +ATOM 661 C CYS A 90 4.279 36.057 8.943 1.00 13.58 C +ATOM 662 O CYS A 90 3.955 37.104 8.391 1.00 14.26 O +ATOM 663 CB CYS A 90 6.637 35.728 9.642 1.00 12.88 C +ATOM 664 SG CYS A 90 8.260 34.970 9.380 1.00 16.61 S +ATOM 665 N PHE A 91 3.554 35.516 9.939 1.00 13.60 N +ATOM 666 CA PHE A 91 2.280 36.073 10.384 1.00 14.60 C +ATOM 667 C PHE A 91 2.060 35.737 11.873 1.00 14.87 C +ATOM 668 O PHE A 91 2.735 34.841 12.401 1.00 15.38 O +ATOM 669 CB PHE A 91 1.052 35.486 9.611 1.00 12.44 C +ATOM 670 CG PHE A 91 0.750 33.986 9.590 1.00 10.63 C +ATOM 671 CD1 PHE A 91 1.434 33.099 8.787 1.00 12.27 C +ATOM 672 CD2 PHE A 91 -0.285 33.454 10.370 1.00 7.87 C +ATOM 673 CE1 PHE A 91 1.175 31.728 8.770 1.00 13.48 C +ATOM 674 CE2 PHE A 91 -0.555 32.103 10.378 1.00 9.70 C +ATOM 675 CZ PHE A 91 0.171 31.215 9.563 1.00 13.68 C +ATOM 676 N GLY A 92 1.095 36.375 12.494 1.00 19.04 N +ATOM 677 CA GLY A 92 0.794 36.037 13.895 1.00 18.92 C +ATOM 678 C GLY A 92 -0.219 37.029 14.438 1.00 14.88 C +ATOM 679 O GLY A 92 -0.527 38.061 13.857 1.00 11.95 O +ATOM 680 N CYS A 93 -0.701 36.662 15.633 1.00 15.04 N +ATOM 681 CA CYS A 93 -1.673 37.465 16.385 1.00 16.32 C +ATOM 682 C CYS A 93 -1.004 38.015 17.657 1.00 13.05 C +ATOM 683 O CYS A 93 -0.080 37.390 18.189 1.00 13.02 O +ATOM 684 CB CYS A 93 -2.905 36.627 16.734 1.00 20.71 C +ATOM 685 SG CYS A 93 -3.862 36.155 15.270 1.00 16.45 S +ATOM 686 N GLY A 94 -1.457 39.207 18.045 1.00 14.40 N +ATOM 687 CA GLY A 94 -0.926 39.921 19.201 1.00 13.94 C +ATOM 688 C GLY A 94 -1.920 40.990 19.644 1.00 15.92 C +ATOM 689 O GLY A 94 -3.142 40.931 19.394 1.00 14.79 O +ATOM 690 N ALA A 95 -1.371 41.965 20.370 1.00 16.25 N +ATOM 691 CA ALA A 95 -2.182 43.069 20.925 1.00 21.77 C +ATOM 692 C ALA A 95 -1.427 44.368 20.706 1.00 19.89 C +ATOM 693 O ALA A 95 -0.326 44.600 21.201 1.00 22.31 O +ATOM 694 CB ALA A 95 -2.461 42.859 22.412 1.00 23.94 C +ATOM 695 N SER A 96 -1.997 45.224 19.847 1.00 20.88 N +ATOM 696 CA SER A 96 -1.402 46.479 19.449 1.00 26.84 C +ATOM 697 C SER A 96 -1.071 47.440 20.573 1.00 30.95 C +ATOM 698 O SER A 96 -0.190 48.297 20.425 1.00 31.01 O +ATOM 699 CB SER A 96 -2.155 47.182 18.309 1.00 32.87 C +ATOM 700 OG SER A 96 -3.182 48.033 18.765 1.00 53.85 O +ATOM 701 N SER A 97 -1.695 47.309 21.725 1.00 35.72 N +ATOM 702 CA SER A 97 -1.571 48.014 22.970 1.00 35.42 C +ATOM 703 C SER A 97 -0.228 47.683 23.649 1.00 35.51 C +ATOM 704 O SER A 97 0.340 48.532 24.351 1.00 39.10 O +ATOM 705 CB SER A 97 -2.722 47.598 23.933 1.00 33.65 C +ATOM 706 OG SER A 97 -3.779 46.801 23.374 1.00 47.07 O +ATOM 707 N TYR A 98 0.326 46.475 23.470 1.00 32.66 N +ATOM 708 CA TYR A 98 1.561 46.040 24.112 1.00 29.62 C +ATOM 709 C TYR A 98 2.866 46.621 23.620 1.00 29.71 C +ATOM 710 O TYR A 98 2.896 47.183 22.545 1.00 30.16 O +ATOM 711 CB TYR A 98 1.674 44.500 24.110 1.00 27.59 C +ATOM 712 CG TYR A 98 0.510 43.929 24.888 1.00 26.85 C +ATOM 713 CD1 TYR A 98 -0.553 44.672 25.396 1.00 30.98 C +ATOM 714 CD2 TYR A 98 0.491 42.581 25.111 1.00 26.45 C +ATOM 715 CE1 TYR A 98 -1.594 44.104 26.074 1.00 35.34 C +ATOM 716 CE2 TYR A 98 -0.525 41.953 25.786 1.00 27.67 C +ATOM 717 CZ TYR A 98 -1.564 42.723 26.268 1.00 36.04 C +ATOM 718 OH TYR A 98 -2.604 42.085 26.924 1.00 37.41 O +ATOM 719 N GLU A 99 3.926 46.536 24.409 1.00 31.01 N +ATOM 720 CA GLU A 99 5.249 47.062 24.028 1.00 33.11 C +ATOM 721 C GLU A 99 5.741 46.370 22.753 1.00 28.67 C +ATOM 722 O GLU A 99 6.087 47.126 21.822 1.00 31.78 O +ATOM 723 CB GLU A 99 6.222 46.948 25.191 1.00 35.10 C +ATOM 724 CG GLU A 99 7.569 47.616 25.222 1.00 43.99 C +ATOM 725 CD GLU A 99 7.625 49.091 24.878 1.00 59.58 C +ATOM 726 OE1 GLU A 99 6.790 49.917 25.341 1.00 67.79 O +ATOM 727 OE2 GLU A 99 8.544 49.474 24.089 1.00 65.71 O +ATOM 728 N TYR A 100 5.757 45.034 22.711 1.00 25.77 N +ATOM 729 CA TYR A 100 6.197 44.304 21.509 1.00 18.65 C +ATOM 730 C TYR A 100 4.978 43.650 20.851 1.00 15.33 C +ATOM 731 O TYR A 100 4.723 42.451 20.985 1.00 20.29 O +ATOM 732 CB TYR A 100 7.258 43.259 21.887 1.00 18.96 C +ATOM 733 CG TYR A 100 8.390 43.880 22.705 1.00 25.27 C +ATOM 734 CD1 TYR A 100 9.231 44.843 22.159 1.00 24.39 C +ATOM 735 CD2 TYR A 100 8.586 43.537 24.034 1.00 27.71 C +ATOM 736 CE1 TYR A 100 10.245 45.457 22.872 1.00 27.54 C +ATOM 737 CE2 TYR A 100 9.574 44.152 24.780 1.00 31.85 C +ATOM 738 CZ TYR A 100 10.394 45.118 24.212 1.00 33.44 C +ATOM 739 OH TYR A 100 11.387 45.700 24.999 1.00 30.99 O +ATOM 740 N PHE A 101 4.226 44.451 20.118 1.00 16.17 N +ATOM 741 CA PHE A 101 3.050 44.005 19.368 1.00 20.34 C +ATOM 742 C PHE A 101 3.529 43.003 18.296 1.00 19.90 C +ATOM 743 O PHE A 101 4.347 43.328 17.411 1.00 20.29 O +ATOM 744 CB PHE A 101 2.351 45.140 18.642 1.00 20.88 C +ATOM 745 CG PHE A 101 1.253 44.776 17.667 1.00 22.66 C +ATOM 746 CD1 PHE A 101 0.316 43.799 17.963 1.00 19.70 C +ATOM 747 CD2 PHE A 101 1.164 45.415 16.437 1.00 19.32 C +ATOM 748 CE1 PHE A 101 -0.709 43.465 17.120 1.00 15.28 C +ATOM 749 CE2 PHE A 101 0.128 45.115 15.584 1.00 19.26 C +ATOM 750 CZ PHE A 101 -0.794 44.137 15.915 1.00 16.11 C +ATOM 751 N CYS A 102 3.053 41.769 18.391 1.00 15.23 N +ATOM 752 CA CYS A 102 3.488 40.702 17.489 1.00 11.68 C +ATOM 753 C CYS A 102 4.992 40.616 17.501 1.00 13.82 C +ATOM 754 O CYS A 102 5.588 40.294 16.459 1.00 16.64 O +ATOM 755 CB CYS A 102 2.901 40.708 16.071 1.00 7.56 C +ATOM 756 SG CYS A 102 1.128 40.464 16.063 1.00 13.16 S +ATOM 757 N GLY A 103 5.700 40.793 18.629 1.00 11.79 N +ATOM 758 CA GLY A 103 7.151 40.704 18.686 1.00 6.67 C +ATOM 759 C GLY A 103 7.576 39.313 18.280 1.00 9.86 C +ATOM 760 O GLY A 103 8.774 39.173 17.857 1.00 11.36 O +ATOM 761 N ALA A 104 6.768 38.243 18.373 1.00 12.20 N +ATOM 762 CA ALA A 104 7.236 36.937 17.917 1.00 12.95 C +ATOM 763 C ALA A 104 7.399 36.953 16.359 1.00 17.78 C +ATOM 764 O ALA A 104 8.342 36.244 15.939 1.00 16.46 O +ATOM 765 CB ALA A 104 6.375 35.748 18.264 1.00 14.41 C +ATOM 766 N VAL A 105 6.576 37.663 15.588 1.00 16.36 N +ATOM 767 CA VAL A 105 6.732 37.746 14.131 1.00 13.12 C +ATOM 768 C VAL A 105 8.062 38.408 13.823 1.00 14.71 C +ATOM 769 O VAL A 105 8.754 37.909 12.944 1.00 16.81 O +ATOM 770 CB VAL A 105 5.576 38.499 13.441 1.00 18.79 C +ATOM 771 CG1 VAL A 105 5.851 38.620 11.949 1.00 13.75 C +ATOM 772 CG2 VAL A 105 4.280 37.793 13.816 1.00 12.66 C +ATOM 773 N ASP A 106 8.510 39.499 14.470 1.00 14.27 N +ATOM 774 CA ASP A 106 9.792 40.124 14.229 1.00 13.35 C +ATOM 775 C ASP A 106 10.988 39.235 14.515 1.00 17.52 C +ATOM 776 O ASP A 106 12.012 39.244 13.832 1.00 17.20 O +ATOM 777 CB ASP A 106 10.113 41.322 15.129 1.00 19.52 C +ATOM 778 CG ASP A 106 9.013 42.344 15.166 1.00 27.85 C +ATOM 779 OD1 ASP A 106 8.297 42.254 14.168 1.00 40.03 O +ATOM 780 OD2 ASP A 106 8.772 43.149 16.073 1.00 32.26 O +ATOM 781 N ALA A 107 10.918 38.480 15.635 1.00 18.21 N +ATOM 782 CA ALA A 107 11.972 37.588 16.045 1.00 16.59 C +ATOM 783 C ALA A 107 12.189 36.449 15.050 1.00 14.48 C +ATOM 784 O ALA A 107 13.335 36.093 14.741 1.00 12.72 O +ATOM 785 CB ALA A 107 11.631 36.972 17.420 1.00 13.85 C +ATOM 786 N ILE A 108 11.072 35.885 14.599 1.00 13.28 N +ATOM 787 CA ILE A 108 11.140 34.770 13.607 1.00 14.93 C +ATOM 788 C ILE A 108 11.689 35.317 12.279 1.00 15.59 C +ATOM 789 O ILE A 108 12.576 34.691 11.677 1.00 15.15 O +ATOM 790 CB ILE A 108 9.787 34.054 13.434 1.00 14.66 C +ATOM 791 CG1 ILE A 108 9.342 33.351 14.764 1.00 12.65 C +ATOM 792 CG2 ILE A 108 9.812 32.992 12.310 1.00 12.56 C +ATOM 793 CD1 ILE A 108 7.842 33.218 14.847 1.00 13.94 C +ATOM 794 N GLU A 109 11.234 36.471 11.777 1.00 17.35 N +ATOM 795 CA GLU A 109 11.724 37.108 10.555 1.00 16.84 C +ATOM 796 C GLU A 109 13.224 37.376 10.649 1.00 18.22 C +ATOM 797 O GLU A 109 13.993 37.053 9.743 1.00 18.08 O +ATOM 798 CB GLU A 109 11.060 38.480 10.287 1.00 15.53 C +ATOM 799 CG GLU A 109 9.595 38.273 9.913 1.00 17.86 C +ATOM 800 CD GLU A 109 9.005 39.486 9.231 1.00 25.82 C +ATOM 801 OE1 GLU A 109 9.720 40.482 9.315 1.00 27.68 O +ATOM 802 OE2 GLU A 109 7.884 39.377 8.695 1.00 26.36 O +ATOM 803 N GLU A 110 13.686 37.960 11.764 1.00 21.22 N +ATOM 804 CA GLU A 110 15.111 38.233 11.962 1.00 21.17 C +ATOM 805 C GLU A 110 15.970 36.992 11.916 1.00 17.48 C +ATOM 806 O GLU A 110 17.077 37.061 11.337 1.00 21.35 O +ATOM 807 CB GLU A 110 15.360 39.082 13.210 1.00 20.67 C +ATOM 808 CG GLU A 110 16.833 39.378 13.472 1.00 32.15 C +ATOM 809 CD GLU A 110 17.175 40.849 13.560 1.00 42.74 C +ATOM 810 OE1 GLU A 110 16.256 41.656 13.847 1.00 48.15 O +ATOM 811 OE2 GLU A 110 18.330 41.293 13.334 1.00 46.94 O +ATOM 812 N LYS A 111 15.592 35.846 12.488 1.00 17.56 N +ATOM 813 CA LYS A 111 16.358 34.629 12.452 1.00 16.63 C +ATOM 814 C LYS A 111 16.339 34.090 11.002 1.00 18.09 C +ATOM 815 O LYS A 111 17.371 33.642 10.498 1.00 18.20 O +ATOM 816 CB LYS A 111 15.814 33.537 13.387 1.00 14.56 C +ATOM 817 CG LYS A 111 16.787 32.378 13.465 1.00 15.85 C +ATOM 818 CD LYS A 111 16.340 31.417 14.558 1.00 21.54 C +ATOM 819 CE LYS A 111 17.620 30.866 15.192 1.00 30.18 C +ATOM 820 NZ LYS A 111 17.369 29.777 16.195 1.00 26.12 N +ATOM 821 N LEU A 112 15.165 34.103 10.354 1.00 15.74 N +ATOM 822 CA LEU A 112 15.102 33.601 8.952 1.00 17.01 C +ATOM 823 C LEU A 112 16.058 34.383 8.053 1.00 17.73 C +ATOM 824 O LEU A 112 16.755 33.752 7.245 1.00 19.71 O +ATOM 825 CB LEU A 112 13.652 33.688 8.440 1.00 11.95 C +ATOM 826 CG LEU A 112 12.696 32.638 8.998 1.00 11.14 C +ATOM 827 CD1 LEU A 112 11.254 33.007 8.626 1.00 16.12 C +ATOM 828 CD2 LEU A 112 13.044 31.219 8.574 1.00 12.23 C +ATOM 829 N LYS A 113 16.099 35.712 8.173 1.00 20.50 N +ATOM 830 CA LYS A 113 16.948 36.635 7.448 1.00 23.12 C +ATOM 831 C LYS A 113 18.418 36.229 7.667 1.00 27.63 C +ATOM 832 O LYS A 113 19.199 36.112 6.711 1.00 24.54 O +ATOM 833 CB LYS A 113 16.840 38.090 7.870 1.00 29.33 C +ATOM 834 CG LYS A 113 16.121 39.217 7.203 1.00 46.21 C +ATOM 835 CD LYS A 113 14.648 39.380 7.528 1.00 63.51 C +ATOM 836 CE LYS A 113 14.032 40.722 7.875 1.00 65.50 C +ATOM 837 NZ LYS A 113 13.860 40.988 9.348 1.00 64.25 N +ATOM 838 N ASN A 114 18.798 36.020 8.937 1.00 26.50 N +ATOM 839 CA ASN A 114 20.142 35.605 9.338 1.00 24.05 C +ATOM 840 C ASN A 114 20.432 34.224 8.741 1.00 26.73 C +ATOM 841 O ASN A 114 21.588 33.903 8.479 1.00 26.84 O +ATOM 842 CB ASN A 114 20.299 35.447 10.849 1.00 22.43 C +ATOM 843 CG ASN A 114 20.151 36.611 11.812 1.00 27.53 C +ATOM 844 OD1 ASN A 114 19.916 36.350 13.022 1.00 27.38 O +ATOM 845 ND2 ASN A 114 20.277 37.826 11.292 1.00 19.49 N +ATOM 846 N LEU A 115 19.452 33.345 8.509 1.00 22.64 N +ATOM 847 CA LEU A 115 19.677 32.020 7.965 1.00 21.73 C +ATOM 848 C LEU A 115 19.706 31.911 6.442 1.00 18.55 C +ATOM 849 O LEU A 115 19.751 30.783 5.905 1.00 18.93 O +ATOM 850 CB LEU A 115 18.585 31.086 8.543 1.00 20.47 C +ATOM 851 CG LEU A 115 18.796 30.706 10.009 1.00 19.34 C +ATOM 852 CD1 LEU A 115 17.637 29.876 10.564 1.00 18.47 C +ATOM 853 CD2 LEU A 115 20.072 29.881 10.160 1.00 16.95 C +ATOM 854 N GLY A 116 19.628 33.047 5.786 1.00 18.41 N +ATOM 855 CA GLY A 116 19.633 33.142 4.319 1.00 20.96 C +ATOM 856 C GLY A 116 18.291 32.947 3.619 1.00 23.12 C +ATOM 857 O GLY A 116 18.268 32.671 2.385 1.00 19.80 O +ATOM 858 N ALA A 117 17.144 33.033 4.304 1.00 20.20 N +ATOM 859 CA ALA A 117 15.837 32.857 3.676 1.00 17.01 C +ATOM 860 C ALA A 117 15.521 34.116 2.868 1.00 19.90 C +ATOM 861 O ALA A 117 16.153 35.184 3.063 1.00 17.90 O +ATOM 862 CB ALA A 117 14.703 32.612 4.685 1.00 14.98 C +ATOM 863 N GLU A 118 14.538 34.026 1.956 1.00 16.23 N +ATOM 864 CA GLU A 118 14.173 35.226 1.210 1.00 19.02 C +ATOM 865 C GLU A 118 12.811 35.682 1.757 1.00 16.71 C +ATOM 866 O GLU A 118 11.883 34.919 1.432 1.00 18.58 O +ATOM 867 CB GLU A 118 14.047 34.958 -0.310 1.00 25.33 C +ATOM 868 CG GLU A 118 13.654 36.202 -1.115 1.00 29.63 C +ATOM 869 CD GLU A 118 13.305 35.913 -2.569 1.00 38.17 C +ATOM 870 OE1 GLU A 118 13.713 34.873 -3.142 1.00 36.11 O +ATOM 871 OE2 GLU A 118 12.594 36.745 -3.185 1.00 34.79 O +ATOM 872 N ILE A 119 12.747 36.789 2.493 1.00 18.90 N +ATOM 873 CA ILE A 119 11.462 37.262 3.063 1.00 19.52 C +ATOM 874 C ILE A 119 10.740 37.908 1.880 1.00 18.52 C +ATOM 875 O ILE A 119 11.230 38.961 1.483 1.00 20.04 O +ATOM 876 CB ILE A 119 11.659 38.274 4.212 1.00 20.88 C +ATOM 877 CG1 ILE A 119 12.570 37.768 5.332 1.00 26.93 C +ATOM 878 CG2 ILE A 119 10.410 38.807 4.874 1.00 14.51 C +ATOM 879 CD1 ILE A 119 12.506 36.381 5.860 1.00 26.64 C +ATOM 880 N VAL A 120 9.674 37.324 1.385 1.00 19.91 N +ATOM 881 CA VAL A 120 8.928 37.791 0.213 1.00 21.42 C +ATOM 882 C VAL A 120 7.961 38.911 0.514 1.00 24.75 C +ATOM 883 O VAL A 120 7.639 39.717 -0.356 1.00 23.54 O +ATOM 884 CB VAL A 120 8.160 36.698 -0.561 1.00 21.61 C +ATOM 885 CG1 VAL A 120 9.147 35.600 -1.021 1.00 22.49 C +ATOM 886 CG2 VAL A 120 7.022 36.003 0.147 1.00 13.84 C +ATOM 887 N GLN A 121 7.533 38.953 1.774 1.00 23.67 N +ATOM 888 CA GLN A 121 6.577 39.986 2.221 1.00 23.30 C +ATOM 889 C GLN A 121 6.828 40.267 3.713 1.00 14.93 C +ATOM 890 O GLN A 121 7.226 39.376 4.451 1.00 18.08 O +ATOM 891 CB GLN A 121 5.198 39.349 2.041 1.00 24.37 C +ATOM 892 CG GLN A 121 3.878 39.947 1.779 1.00 39.80 C +ATOM 893 CD GLN A 121 3.817 41.033 0.723 1.00 50.16 C +ATOM 894 OE1 GLN A 121 4.378 40.926 -0.375 1.00 52.18 O +ATOM 895 NE2 GLN A 121 3.128 42.142 1.041 1.00 48.89 N +ATOM 896 N ASP A 122 6.562 41.506 4.101 1.00 17.06 N +ATOM 897 CA ASP A 122 6.694 41.832 5.543 1.00 23.53 C +ATOM 898 C ASP A 122 5.552 41.091 6.285 1.00 22.60 C +ATOM 899 O ASP A 122 4.435 40.938 5.724 1.00 20.84 O +ATOM 900 CB ASP A 122 6.589 43.324 5.776 1.00 27.33 C +ATOM 901 CG ASP A 122 7.745 44.169 5.228 1.00 37.27 C +ATOM 902 OD1 ASP A 122 8.905 43.698 5.054 1.00 49.08 O +ATOM 903 OD2 ASP A 122 7.442 45.368 4.991 1.00 37.00 O +ATOM 904 N GLY A 123 5.821 40.620 7.499 1.00 23.18 N +ATOM 905 CA GLY A 123 4.893 39.883 8.306 1.00 17.34 C +ATOM 906 C GLY A 123 3.523 40.492 8.512 1.00 14.91 C +ATOM 907 O GLY A 123 3.355 41.708 8.663 1.00 19.80 O +ATOM 908 N LEU A 124 2.496 39.644 8.538 1.00 14.87 N +ATOM 909 CA LEU A 124 1.122 40.014 8.803 1.00 11.79 C +ATOM 910 C LEU A 124 1.021 39.972 10.372 1.00 16.46 C +ATOM 911 O LEU A 124 1.313 38.962 11.031 1.00 14.14 O +ATOM 912 CB LEU A 124 0.180 38.958 8.320 1.00 12.48 C +ATOM 913 CG LEU A 124 -1.307 39.211 8.585 1.00 11.67 C +ATOM 914 CD1 LEU A 124 -1.765 40.540 8.007 1.00 16.22 C +ATOM 915 CD2 LEU A 124 -2.007 38.030 7.932 1.00 13.25 C +ATOM 916 N ARG A 125 0.682 41.103 10.933 1.00 14.33 N +ATOM 917 CA ARG A 125 0.542 41.252 12.395 1.00 15.84 C +ATOM 918 C ARG A 125 -0.903 41.620 12.733 1.00 17.06 C +ATOM 919 O ARG A 125 -1.368 42.776 12.485 1.00 19.72 O +ATOM 920 CB ARG A 125 1.459 42.389 12.852 1.00 13.87 C +ATOM 921 CG ARG A 125 2.923 42.101 12.684 1.00 13.95 C +ATOM 922 CD ARG A 125 3.724 43.391 13.040 1.00 38.59 C +ATOM 923 NE ARG A 125 4.926 43.189 12.207 1.00 61.23 N +ATOM 924 CZ ARG A 125 6.080 42.707 12.645 1.00 67.61 C +ATOM 925 NH1 ARG A 125 6.056 42.473 13.967 1.00 70.19 N +ATOM 926 NH2 ARG A 125 7.130 42.483 11.844 1.00 59.90 N +ATOM 927 N ILE A 126 -1.669 40.678 13.271 1.00 19.06 N +ATOM 928 CA ILE A 126 -3.100 40.873 13.607 1.00 17.29 C +ATOM 929 C ILE A 126 -3.345 41.381 15.038 1.00 17.45 C +ATOM 930 O ILE A 126 -2.790 40.799 15.997 1.00 13.94 O +ATOM 931 CB ILE A 126 -3.875 39.551 13.397 1.00 15.86 C +ATOM 932 CG1 ILE A 126 -3.712 39.011 11.957 1.00 18.20 C +ATOM 933 CG2 ILE A 126 -5.374 39.621 13.769 1.00 16.46 C +ATOM 934 CD1 ILE A 126 -4.292 39.979 10.947 1.00 24.20 C +ATOM 935 N ASP A 127 -4.148 42.429 15.132 1.00 15.23 N +ATOM 936 CA ASP A 127 -4.501 42.995 16.426 1.00 14.83 C +ATOM 937 C ASP A 127 -5.818 42.394 16.895 1.00 14.91 C +ATOM 938 O ASP A 127 -6.730 42.398 16.069 1.00 19.70 O +ATOM 939 CB ASP A 127 -4.647 44.521 16.325 1.00 18.60 C +ATOM 940 CG ASP A 127 -4.775 45.155 17.704 1.00 25.74 C +ATOM 941 OD1 ASP A 127 -4.480 44.537 18.757 1.00 26.59 O +ATOM 942 OD2 ASP A 127 -5.180 46.329 17.757 1.00 27.86 O +ATOM 943 N GLY A 128 -5.936 41.867 18.128 1.00 15.53 N +ATOM 944 CA GLY A 128 -7.208 41.338 18.501 1.00 16.04 C +ATOM 945 C GLY A 128 -7.645 40.078 17.794 1.00 16.09 C +ATOM 946 O GLY A 128 -6.910 39.177 17.394 1.00 18.59 O +ATOM 947 N ASP A 129 -8.979 39.955 17.691 1.00 17.95 N +ATOM 948 CA ASP A 129 -9.625 38.783 17.096 1.00 18.94 C +ATOM 949 C ASP A 129 -9.380 38.819 15.591 1.00 18.66 C +ATOM 950 O ASP A 129 -9.790 39.814 15.008 1.00 18.48 O +ATOM 951 CB ASP A 129 -11.156 38.815 17.323 1.00 14.41 C +ATOM 952 CG ASP A 129 -11.833 37.501 17.039 1.00 16.84 C +ATOM 953 OD1 ASP A 129 -11.401 36.540 16.350 1.00 16.07 O +ATOM 954 OD2 ASP A 129 -12.986 37.423 17.588 1.00 21.31 O +ATOM 955 N PRO A 130 -8.805 37.774 15.042 1.00 20.42 N +ATOM 956 CA PRO A 130 -8.520 37.673 13.623 1.00 16.21 C +ATOM 957 C PRO A 130 -9.788 37.533 12.823 1.00 18.12 C +ATOM 958 O PRO A 130 -9.824 37.879 11.625 1.00 19.56 O +ATOM 959 CB PRO A 130 -7.677 36.377 13.480 1.00 16.08 C +ATOM 960 CG PRO A 130 -8.026 35.546 14.704 1.00 16.04 C +ATOM 961 CD PRO A 130 -8.373 36.587 15.785 1.00 16.99 C +ATOM 962 N ARG A 131 -10.893 37.053 13.420 1.00 14.94 N +ATOM 963 CA ARG A 131 -12.142 36.904 12.662 1.00 12.42 C +ATOM 964 C ARG A 131 -12.687 38.211 12.169 1.00 14.55 C +ATOM 965 O ARG A 131 -13.556 38.373 11.311 1.00 20.84 O +ATOM 966 CB ARG A 131 -13.176 36.177 13.532 1.00 11.10 C +ATOM 967 CG ARG A 131 -12.780 34.753 13.822 1.00 9.98 C +ATOM 968 CD ARG A 131 -13.488 34.131 15.010 1.00 13.04 C +ATOM 969 NE ARG A 131 -12.725 32.936 15.417 1.00 18.23 N +ATOM 970 CZ ARG A 131 -11.585 32.818 16.126 1.00 14.86 C +ATOM 971 NH1 ARG A 131 -10.969 33.875 16.608 1.00 16.57 N +ATOM 972 NH2 ARG A 131 -10.993 31.649 16.350 1.00 14.55 N +ATOM 973 N ALA A 132 -12.254 39.326 12.731 1.00 15.70 N +ATOM 974 CA ALA A 132 -12.596 40.696 12.481 1.00 19.98 C +ATOM 975 C ALA A 132 -11.537 41.360 11.592 1.00 21.68 C +ATOM 976 O ALA A 132 -11.702 42.569 11.331 1.00 23.53 O +ATOM 977 CB ALA A 132 -12.686 41.539 13.774 1.00 18.00 C +ATOM 978 N ALA A 133 -10.542 40.563 11.188 1.00 20.72 N +ATOM 979 CA ALA A 133 -9.470 41.158 10.349 1.00 22.09 C +ATOM 980 C ALA A 133 -9.324 40.326 9.079 1.00 20.97 C +ATOM 981 O ALA A 133 -8.293 40.344 8.428 1.00 18.25 O +ATOM 982 CB ALA A 133 -8.162 41.243 11.150 1.00 19.76 C +ATOM 983 N ARG A 134 -10.385 39.579 8.746 1.00 22.36 N +ATOM 984 CA ARG A 134 -10.453 38.676 7.609 1.00 23.91 C +ATOM 985 C ARG A 134 -10.010 39.231 6.262 1.00 27.26 C +ATOM 986 O ARG A 134 -9.257 38.596 5.493 1.00 23.61 O +ATOM 987 CB ARG A 134 -11.905 38.204 7.559 1.00 26.11 C +ATOM 988 CG ARG A 134 -11.984 36.731 7.458 1.00 21.73 C +ATOM 989 CD ARG A 134 -13.284 36.200 6.819 1.00 24.98 C +ATOM 990 NE ARG A 134 -12.989 34.787 6.876 1.00 42.57 N +ATOM 991 CZ ARG A 134 -12.543 33.930 5.989 1.00 46.04 C +ATOM 992 NH1 ARG A 134 -12.350 34.352 4.750 1.00 45.09 N +ATOM 993 NH2 ARG A 134 -12.320 32.714 6.507 1.00 47.85 N +ATOM 994 N ASP A 135 -10.449 40.467 5.943 1.00 26.84 N +ATOM 995 CA ASP A 135 -10.074 41.150 4.711 1.00 25.75 C +ATOM 996 C ASP A 135 -8.574 41.443 4.675 1.00 24.26 C +ATOM 997 O ASP A 135 -8.029 41.322 3.572 1.00 26.05 O +ATOM 998 CB ASP A 135 -10.882 42.418 4.456 1.00 31.52 C +ATOM 999 CG ASP A 135 -12.360 42.171 4.193 1.00 28.73 C +ATOM 1000 OD1 ASP A 135 -12.750 41.147 3.597 1.00 34.11 O +ATOM 1001 OD2 ASP A 135 -13.154 43.028 4.639 1.00 40.77 O +ATOM 1002 N ASP A 136 -7.854 41.773 5.731 1.00 20.42 N +ATOM 1003 CA ASP A 136 -6.421 42.001 5.745 1.00 21.21 C +ATOM 1004 C ASP A 136 -5.649 40.694 5.562 1.00 21.16 C +ATOM 1005 O ASP A 136 -4.567 40.615 4.964 1.00 25.28 O +ATOM 1006 CB ASP A 136 -5.952 42.589 7.086 1.00 27.24 C +ATOM 1007 CG ASP A 136 -6.513 43.950 7.451 1.00 34.91 C +ATOM 1008 OD1 ASP A 136 -6.949 44.710 6.558 1.00 34.97 O +ATOM 1009 OD2 ASP A 136 -6.509 44.316 8.656 1.00 34.29 O +ATOM 1010 N ILE A 137 -6.176 39.616 6.165 1.00 19.15 N +ATOM 1011 CA ILE A 137 -5.528 38.301 6.063 1.00 18.06 C +ATOM 1012 C ILE A 137 -5.580 37.892 4.583 1.00 17.43 C +ATOM 1013 O ILE A 137 -4.584 37.526 3.984 1.00 15.40 O +ATOM 1014 CB ILE A 137 -6.264 37.272 6.938 1.00 15.49 C +ATOM 1015 CG1 ILE A 137 -6.274 37.670 8.428 1.00 21.21 C +ATOM 1016 CG2 ILE A 137 -5.615 35.919 6.718 1.00 15.05 C +ATOM 1017 CD1 ILE A 137 -7.029 36.750 9.386 1.00 16.70 C +ATOM 1018 N VAL A 138 -6.775 37.950 3.991 1.00 19.65 N +ATOM 1019 CA VAL A 138 -7.026 37.625 2.585 1.00 18.00 C +ATOM 1020 C VAL A 138 -6.162 38.443 1.650 1.00 16.38 C +ATOM 1021 O VAL A 138 -5.532 37.969 0.695 1.00 18.57 O +ATOM 1022 CB VAL A 138 -8.529 37.857 2.317 1.00 22.16 C +ATOM 1023 CG1 VAL A 138 -8.825 38.024 0.823 1.00 21.77 C +ATOM 1024 CG2 VAL A 138 -9.312 36.676 2.882 1.00 17.89 C +ATOM 1025 N GLY A 139 -6.064 39.753 1.904 1.00 13.92 N +ATOM 1026 CA GLY A 139 -5.278 40.717 1.161 1.00 12.72 C +ATOM 1027 C GLY A 139 -3.789 40.408 1.298 1.00 19.19 C +ATOM 1028 O GLY A 139 -3.050 40.466 0.296 1.00 16.06 O +ATOM 1029 N TRP A 140 -3.297 40.049 2.498 1.00 14.47 N +ATOM 1030 CA TRP A 140 -1.881 39.706 2.673 1.00 14.92 C +ATOM 1031 C TRP A 140 -1.526 38.423 1.931 1.00 15.71 C +ATOM 1032 O TRP A 140 -0.429 38.308 1.341 1.00 20.26 O +ATOM 1033 CB TRP A 140 -1.660 39.493 4.186 1.00 15.81 C +ATOM 1034 CG TRP A 140 -0.233 39.157 4.551 1.00 7.90 C +ATOM 1035 CD1 TRP A 140 0.730 40.076 4.732 1.00 7.50 C +ATOM 1036 CD2 TRP A 140 0.360 37.876 4.765 1.00 11.32 C +ATOM 1037 NE1 TRP A 140 1.922 39.458 5.032 1.00 13.38 N +ATOM 1038 CE2 TRP A 140 1.720 38.092 5.101 1.00 12.90 C +ATOM 1039 CE3 TRP A 140 -0.115 36.552 4.742 1.00 15.93 C +ATOM 1040 CZ2 TRP A 140 2.627 37.084 5.436 1.00 8.65 C +ATOM 1041 CZ3 TRP A 140 0.792 35.529 5.025 1.00 13.46 C +ATOM 1042 CH2 TRP A 140 2.133 35.807 5.361 1.00 12.73 C +ATOM 1043 N ALA A 141 -2.399 37.414 1.882 1.00 15.74 N +ATOM 1044 CA ALA A 141 -2.149 36.140 1.210 1.00 15.46 C +ATOM 1045 C ALA A 141 -2.085 36.343 -0.311 1.00 20.91 C +ATOM 1046 O ALA A 141 -1.295 35.738 -1.020 1.00 16.67 O +ATOM 1047 CB ALA A 141 -3.175 35.102 1.628 1.00 14.60 C +ATOM 1048 N HIS A 142 -2.903 37.267 -0.833 1.00 23.29 N +ATOM 1049 CA HIS A 142 -2.920 37.630 -2.256 1.00 25.42 C +ATOM 1050 C HIS A 142 -1.570 38.246 -2.594 1.00 19.26 C +ATOM 1051 O HIS A 142 -0.936 37.884 -3.592 1.00 22.61 O +ATOM 1052 CB HIS A 142 -4.037 38.607 -2.642 1.00 24.24 C +ATOM 1053 CG HIS A 142 -4.055 39.073 -4.071 1.00 34.89 C +ATOM 1054 ND1 HIS A 142 -3.681 40.346 -4.477 1.00 35.98 N +ATOM 1055 CD2 HIS A 142 -4.441 38.448 -5.217 1.00 42.64 C +ATOM 1056 CE1 HIS A 142 -3.842 40.480 -5.777 1.00 37.24 C +ATOM 1057 NE2 HIS A 142 -4.293 39.335 -6.259 1.00 45.36 N +ATOM 1058 N ASP A 143 -1.089 39.180 -1.798 1.00 17.79 N +ATOM 1059 CA ASP A 143 0.199 39.826 -2.016 1.00 19.16 C +ATOM 1060 C ASP A 143 1.373 38.862 -1.932 1.00 22.37 C +ATOM 1061 O ASP A 143 2.374 39.054 -2.674 1.00 24.04 O +ATOM 1062 CB ASP A 143 0.368 40.924 -0.971 1.00 18.57 C +ATOM 1063 CG ASP A 143 -0.532 42.127 -1.133 1.00 28.00 C +ATOM 1064 OD1 ASP A 143 -1.299 42.262 -2.122 1.00 32.74 O +ATOM 1065 OD2 ASP A 143 -0.451 42.964 -0.204 1.00 31.00 O +ATOM 1066 N VAL A 144 1.352 37.852 -1.034 1.00 17.94 N +ATOM 1067 CA VAL A 144 2.497 36.922 -0.975 1.00 17.82 C +ATOM 1068 C VAL A 144 2.609 36.150 -2.293 1.00 16.08 C +ATOM 1069 O VAL A 144 3.721 35.915 -2.748 1.00 18.80 O +ATOM 1070 CB VAL A 144 2.344 35.955 0.235 1.00 15.55 C +ATOM 1071 CG1 VAL A 144 3.228 34.755 0.197 1.00 16.39 C +ATOM 1072 CG2 VAL A 144 2.608 36.758 1.514 1.00 19.93 C +ATOM 1073 N ARG A 145 1.478 35.741 -2.885 1.00 17.70 N +ATOM 1074 CA ARG A 145 1.342 34.991 -4.133 1.00 18.30 C +ATOM 1075 C ARG A 145 1.965 35.768 -5.304 1.00 18.39 C +ATOM 1076 O ARG A 145 2.695 35.289 -6.157 1.00 18.93 O +ATOM 1077 CB ARG A 145 -0.135 34.709 -4.452 1.00 18.74 C +ATOM 1078 CG ARG A 145 -0.659 33.502 -3.720 1.00 13.62 C +ATOM 1079 CD ARG A 145 -1.971 32.964 -4.273 1.00 15.65 C +ATOM 1080 NE ARG A 145 -3.123 33.785 -4.077 1.00 17.06 N +ATOM 1081 CZ ARG A 145 -3.721 34.586 -4.924 1.00 29.00 C +ATOM 1082 NH1 ARG A 145 -3.216 34.714 -6.173 1.00 35.89 N +ATOM 1083 NH2 ARG A 145 -4.827 35.209 -4.503 1.00 32.04 N +ATOM 1084 N GLY A 146 1.694 37.065 -5.313 1.00 19.95 N +ATOM 1085 CA GLY A 146 2.213 37.980 -6.297 1.00 26.12 C +ATOM 1086 C GLY A 146 3.681 38.237 -5.964 1.00 30.88 C +ATOM 1087 O GLY A 146 4.379 38.681 -6.884 1.00 34.98 O +ATOM 1088 N ALA A 147 4.194 37.992 -4.761 1.00 29.46 N +ATOM 1089 CA ALA A 147 5.580 38.262 -4.419 1.00 31.03 C +ATOM 1090 C ALA A 147 6.531 37.107 -4.653 1.00 33.11 C +ATOM 1091 O ALA A 147 7.775 37.266 -4.587 1.00 30.96 O +ATOM 1092 CB ALA A 147 5.668 38.683 -2.951 1.00 22.52 C +ATOM 1093 N ILE A 148 5.982 35.905 -4.903 1.00 34.47 N +ATOM 1094 CA ILE A 148 6.875 34.773 -5.123 1.00 38.69 C +ATOM 1095 C ILE A 148 7.278 34.713 -6.599 1.00 48.24 C +ATOM 1096 O ILE A 148 7.875 33.671 -6.973 1.00 56.21 O +ATOM 1097 CB ILE A 148 6.419 33.427 -4.556 1.00 34.61 C +ATOM 1098 CG1 ILE A 148 5.201 32.809 -5.268 1.00 35.29 C +ATOM 1099 CG2 ILE A 148 6.134 33.510 -3.056 1.00 28.02 C +ATOM 1100 CD1 ILE A 148 5.093 31.314 -4.944 1.00 32.89 C +ATOM 1101 OXT ILE A 148 7.089 35.629 -7.445 1.00 51.57 O +TER 1102 ILE A 148 +HETATM 1103 S SO4 A 1 14.843 21.501 -1.857 1.00 41.13 S +HETATM 1104 O1 SO4 A 1 14.125 21.916 -0.625 1.00 53.96 O +HETATM 1105 O2 SO4 A 1 15.611 22.635 -2.442 1.00 53.97 O +HETATM 1106 O3 SO4 A 1 15.655 20.279 -1.543 1.00 55.74 O +HETATM 1107 O4 SO4 A 1 13.790 21.107 -2.878 1.00 57.87 O +HETATM 1108 S SO4 A 149 -13.673 29.571 14.301 1.00 69.15 S +HETATM 1109 O1 SO4 A 149 -14.332 29.528 15.665 1.00 70.83 O +HETATM 1110 O2 SO4 A 149 -13.478 31.031 13.925 1.00 70.06 O +HETATM 1111 O3 SO4 A 149 -12.367 28.804 14.363 1.00 67.82 O +HETATM 1112 O4 SO4 A 149 -14.500 28.996 13.173 1.00 71.07 O +HETATM 1113 N1 FMN A 150 0.574 40.235 22.229 1.00 12.36 N +HETATM 1114 C2 FMN A 150 1.607 41.032 21.792 1.00 11.89 C +HETATM 1115 O2 FMN A 150 1.465 41.647 20.603 1.00 17.40 O +HETATM 1116 N3 FMN A 150 2.721 41.267 22.554 1.00 18.84 N +HETATM 1117 C4 FMN A 150 2.889 40.622 23.808 1.00 17.97 C +HETATM 1118 O4 FMN A 150 4.049 40.808 24.551 1.00 18.76 O +HETATM 1119 C4A FMN A 150 1.844 39.770 24.269 1.00 19.47 C +HETATM 1120 N5 FMN A 150 2.003 39.112 25.490 1.00 16.85 N +HETATM 1121 C5A FMN A 150 0.882 38.458 26.071 1.00 18.25 C +HETATM 1122 C6 FMN A 150 0.945 37.963 27.412 1.00 16.39 C +HETATM 1123 C7 FMN A 150 -0.180 37.336 27.988 1.00 19.84 C +HETATM 1124 C7M FMN A 150 -0.222 36.801 29.340 1.00 15.19 C +HETATM 1125 C8 FMN A 150 -1.337 37.199 27.207 1.00 18.24 C +HETATM 1126 C8M FMN A 150 -2.529 36.582 27.701 1.00 14.11 C +HETATM 1127 C9 FMN A 150 -1.388 37.693 25.862 1.00 15.61 C +HETATM 1128 C9A FMN A 150 -0.278 38.342 25.269 1.00 18.29 C +HETATM 1129 N10 FMN A 150 -0.362 38.788 23.914 1.00 18.06 N +HETATM 1130 C10 FMN A 150 0.694 39.590 23.467 1.00 12.51 C +HETATM 1131 C1' FMN A 150 -1.507 38.669 23.091 1.00 12.62 C +HETATM 1132 C2' FMN A 150 -1.629 37.283 22.453 1.00 9.97 C +HETATM 1133 O2' FMN A 150 -0.539 37.006 21.577 1.00 15.37 O +HETATM 1134 C3' FMN A 150 -2.893 37.307 21.572 1.00 11.36 C +HETATM 1135 O3' FMN A 150 -3.989 37.158 22.494 1.00 13.62 O +HETATM 1136 C4' FMN A 150 -2.954 36.301 20.474 1.00 11.25 C +HETATM 1137 O4' FMN A 150 -4.243 36.514 19.780 1.00 16.71 O +HETATM 1138 C5' FMN A 150 -2.895 34.945 20.908 1.00 9.35 C +HETATM 1139 O5' FMN A 150 -2.950 34.111 19.788 1.00 12.14 O +HETATM 1140 P FMN A 150 -3.082 32.468 19.750 1.00 11.76 P +HETATM 1141 O1P FMN A 150 -2.037 31.661 20.758 1.00 12.93 O +HETATM 1142 O2P FMN A 150 -2.791 31.884 18.195 1.00 14.25 O +HETATM 1143 O3P FMN A 150 -4.638 32.055 20.139 1.00 11.71 O +HETATM 1144 O HOH A 151 2.604 37.271 17.252 1.00 10.01 O +HETATM 1145 O HOH A 152 7.428 38.078 6.739 1.00 11.50 O +HETATM 1146 O HOH A 153 -2.626 25.019 17.880 1.00 28.64 O +HETATM 1147 O HOH A 154 -4.057 31.825 -9.388 1.00 20.19 O +HETATM 1148 O HOH A 155 9.906 31.811 26.468 1.00 36.90 O +HETATM 1149 O HOH A 156 -9.562 31.341 18.547 1.00 31.31 O +HETATM 1150 O HOH A 157 -0.174 24.629 -8.009 1.00 15.31 O +HETATM 1151 O HOH A 158 15.601 36.301 16.426 1.00 16.32 O +HETATM 1152 O HOH A 159 -8.960 28.078 15.798 1.00 22.73 O +HETATM 1153 O HOH A 160 -8.428 26.066 5.349 1.00 22.39 O +HETATM 1154 O HOH A 161 -0.290 26.279 24.507 1.00 17.91 O +HETATM 1155 O HOH A 162 -4.907 22.604 -2.931 1.00 25.25 O +HETATM 1156 O HOH A 163 6.462 28.150 27.139 1.00 18.70 O +HETATM 1157 O HOH A 164 -5.371 43.715 12.902 1.00 19.82 O +HETATM 1158 O HOH A 165 -10.077 25.600 -2.076 1.00 23.56 O +HETATM 1159 O HOH A 166 3.225 23.228 -7.640 1.00 24.37 O +HETATM 1160 O HOH A 167 2.044 29.673 24.522 1.00 11.11 O +HETATM 1161 O HOH A 168 -1.141 19.177 12.274 1.00 21.98 O +HETATM 1162 O HOH A 169 10.093 41.741 2.617 1.00 39.23 O +HETATM 1163 O HOH A 170 -10.258 32.847 -2.237 1.00 26.15 O +HETATM 1164 O HOH A 171 -4.748 38.958 19.003 1.00 15.52 O +HETATM 1165 O HOH A 172 -8.104 45.950 16.978 1.00 32.44 O +HETATM 1166 O HOH A 173 3.116 41.858 27.252 1.00 21.06 O +HETATM 1167 O HOH A 174 -7.880 24.815 2.729 1.00 25.60 O +HETATM 1168 O HOH A 175 3.413 17.138 10.881 1.00 38.47 O +HETATM 1169 O HOH A 176 9.223 39.917 -3.082 1.00 46.63 O +HETATM 1170 O HOH A 177 7.503 37.834 30.845 1.00 23.89 O +HETATM 1171 O HOH A 178 -9.903 32.219 2.933 1.00 24.34 O +HETATM 1172 O HOH A 179 17.794 26.628 7.822 1.00 26.45 O +HETATM 1173 O HOH A 180 19.689 25.923 5.089 1.00 33.18 O +HETATM 1174 O HOH A 181 0.332 43.653 9.179 1.00 26.85 O +HETATM 1175 O HOH A 182 -15.095 37.069 9.968 1.00 25.35 O +HETATM 1176 O HOH A 183 -5.034 26.264 18.347 1.00 19.47 O +HETATM 1177 O HOH A 184 0.065 25.267 18.376 1.00 15.17 O +HETATM 1178 O HOH A 185 4.939 43.423 24.722 1.00 21.09 O +HETATM 1179 O HOH A 186 -4.754 24.838 8.821 1.00 37.67 O +HETATM 1180 O HOH A 187 -12.110 42.192 7.538 1.00 25.50 O +HETATM 1181 O HOH A 188 3.684 25.918 -9.905 1.00 16.31 O +HETATM 1182 O HOH A 189 2.175 32.830 -7.173 1.00 26.37 O +HETATM 1183 O HOH A 190 -5.748 24.051 2.242 1.00 19.96 O +HETATM 1184 O HOH A 191 -4.187 21.647 15.597 1.00 35.34 O +HETATM 1185 O HOH A 192 11.854 28.764 -2.180 1.00 20.87 O +HETATM 1186 O HOH A 193 19.135 23.943 6.878 1.00 28.98 O +HETATM 1187 O HOH A 194 11.414 41.874 11.608 1.00 31.65 O +HETATM 1188 O HOH A 195 -5.570 35.207 24.035 1.00 33.39 O +HETATM 1189 O HOH A 196 6.668 34.016 31.573 1.00 20.62 O +HETATM 1190 O HOH A 197 10.332 32.425 23.560 1.00 25.82 O +HETATM 1191 O HOH A 198 -2.901 24.620 21.387 1.00 37.02 O +HETATM 1192 O HOH A 199 -11.724 39.748 0.979 1.00 40.17 O +HETATM 1193 O HOH A 200 -1.853 21.685 19.282 1.00 28.58 O +HETATM 1194 O HOH A 201 -15.169 37.634 16.290 1.00 33.82 O +HETATM 1195 O HOH A 202 8.036 22.676 17.023 1.00 36.57 O +HETATM 1196 O HOH A 203 -4.318 34.619 -1.936 1.00 28.46 O +HETATM 1197 O HOH A 204 -5.590 22.358 -0.067 1.00 26.16 O +HETATM 1198 O HOH A 205 1.825 46.323 11.114 1.00 42.33 O +HETATM 1199 O HOH A 206 4.103 18.347 21.240 1.00 43.87 O +HETATM 1200 O HOH A 207 -3.041 43.884 1.848 1.00 43.55 O +HETATM 1201 O HOH A 208 -8.821 42.177 14.343 1.00 26.52 O +HETATM 1202 O HOH A 209 -3.843 20.893 4.678 1.00 51.40 O +HETATM 1203 O HOH A 210 8.851 26.131 26.621 1.00 34.93 O +HETATM 1204 O HOH A 211 13.278 31.298 22.506 1.00 34.49 O +HETATM 1205 O HOH A 212 18.531 36.652 4.089 1.00 35.46 O +HETATM 1206 O HOH A 213 -6.455 25.977 20.596 1.00 30.77 O +HETATM 1207 O HOH A 214 -10.315 27.647 13.976 1.00 29.51 O +HETATM 1208 O HOH A 215 6.179 23.301 -7.491 1.00 25.69 O +HETATM 1209 O HOH A 216 18.278 25.268 1.535 1.00 27.53 O +HETATM 1210 O HOH A 217 8.236 42.911 8.797 1.00 36.22 O +HETATM 1211 O HOH A 218 -6.965 24.027 -4.791 1.00 18.13 O +HETATM 1212 O HOH A 219 -0.283 21.263 21.630 1.00 38.49 O +HETATM 1213 O HOH A 220 -3.795 32.685 28.060 1.00 21.25 O +HETATM 1214 O HOH A 221 2.374 21.552 -0.472 1.00 25.32 O +HETATM 1215 O HOH A 222 -11.400 28.719 9.563 1.00 30.69 O +HETATM 1216 O HOH A 223 -5.593 34.150 26.758 1.00 17.70 O +HETATM 1217 O HOH A 224 -13.592 40.233 9.201 1.00 23.47 O +HETATM 1218 O HOH A 225 6.176 40.159 25.455 1.00 24.96 O +HETATM 1219 O HOH A 226 10.831 17.265 8.925 1.00 33.82 O +HETATM 1220 O HOH A 227 -11.121 30.451 7.752 1.00 34.18 O +HETATM 1221 O HOH A 228 -3.102 35.492 31.635 1.00 28.51 O +HETATM 1222 O HOH A 229 15.714 44.417 14.899 1.00 48.82 O +HETATM 1223 O HOH A 230 14.968 32.280 -3.033 1.00 38.82 O +HETATM 1224 O HOH A 231 9.912 18.396 3.623 1.00 35.18 O +HETATM 1225 O HOH A 232 -12.879 44.775 1.727 1.00 48.14 O +HETATM 1226 O HOH A 233 -2.896 47.827 27.319 1.00 34.47 O +HETATM 1227 O HOH A 234 1.964 15.686 4.464 1.00 62.24 O +HETATM 1228 O HOH A 235 3.102 41.112 -4.187 1.00 28.16 O +HETATM 1229 O HOH A 236 6.586 17.230 10.306 1.00 38.14 O +HETATM 1230 O HOH A 237 12.505 24.940 -3.743 1.00 43.27 O +HETATM 1231 O HOH A 238 -4.653 43.326 10.299 1.00 24.97 O +HETATM 1232 O HOH A 239 4.840 21.364 21.901 1.00 31.62 O +HETATM 1233 O HOH A 240 10.937 46.328 27.984 1.00 51.22 O +HETATM 1234 O HOH A 241 -6.395 23.983 6.586 1.00 36.32 O +HETATM 1235 O HOH A 242 0.164 19.025 -0.157 1.00 43.99 O +HETATM 1236 O HOH A 243 2.888 18.627 -8.700 1.00 43.64 O +HETATM 1237 O HOH A 244 20.179 40.050 13.748 1.00 16.19 O +HETATM 1238 O HOH A 245 -3.722 43.522 29.631 1.00 53.05 O +HETATM 1239 O HOH A 246 -9.677 24.672 0.665 1.00 30.51 O +HETATM 1240 O HOH A 247 5.123 21.835 26.103 1.00 40.22 O +HETATM 1241 O HOH A 248 -13.764 44.502 11.355 1.00 48.34 O +HETATM 1242 O HOH A 249 -5.101 29.026 27.743 1.00 39.66 O +HETATM 1243 O HOH A 250 -3.164 43.093 4.504 1.00 30.97 O +HETATM 1244 O HOH A 251 8.344 24.656 24.352 1.00 31.39 O +HETATM 1245 O HOH A 252 -4.175 26.258 26.742 1.00 23.25 O +HETATM 1246 O HOH A 253 20.118 34.367 14.094 1.00 23.35 O +HETATM 1247 O HOH A 254 -13.382 27.407 -2.968 1.00 28.08 O +HETATM 1248 O HOH A 255 -2.882 20.083 -2.148 1.00 32.66 O +HETATM 1249 O HOH A 256 1.173 43.389 6.512 1.00 42.61 O +HETATM 1250 O HOH A 257 -5.341 46.370 21.809 1.00 34.47 O +HETATM 1251 O HOH A 258 3.397 17.785 1.046 1.00 29.38 O +HETATM 1252 O HOH A 259 1.643 21.098 -6.716 1.00 30.37 O +HETATM 1253 O HOH A 260 -14.059 37.068 3.421 1.00 33.35 O +HETATM 1254 O HOH A 261 -4.245 22.230 -6.952 1.00 31.36 O +HETATM 1255 O HOH A 262 8.757 40.259 32.188 1.00 33.12 O +HETATM 1256 O HOH A 263 -8.070 21.871 -0.920 1.00 48.03 O +HETATM 1257 O HOH A 264 -5.920 23.784 11.367 1.00 33.41 O +HETATM 1258 O HOH A 265 2.209 23.046 24.177 1.00 44.33 O +HETATM 1259 O HOH A 266 1.460 48.935 17.460 1.00 45.76 O +HETATM 1260 O HOH A 267 6.557 21.649 19.871 1.00 31.69 O +HETATM 1261 O HOH A 268 -2.845 21.144 22.971 1.00 43.45 O +HETATM 1262 O HOH A 269 -0.785 39.128 -6.192 1.00 37.59 O +HETATM 1263 O HOH A 270 -10.413 28.229 18.332 1.00 27.50 O +HETATM 1264 O HOH A 271 3.032 23.120 -10.551 1.00 40.15 O +HETATM 1265 O HOH A 272 12.135 20.471 16.706 1.00 37.92 O +HETATM 1266 O HOH A 273 10.339 36.282 -5.062 1.00 36.17 O +HETATM 1267 O HOH A 274 -11.499 31.071 4.672 1.00 39.81 O +HETATM 1268 O HOH A 275 -10.522 36.780 -2.339 1.00 38.67 O +HETATM 1269 O HOH A 276 14.857 39.154 2.471 1.00 35.96 O +HETATM 1270 O HOH A 277 2.419 47.110 27.534 1.00 51.20 O +HETATM 1271 O HOH A 278 1.320 41.278 29.822 1.00 49.19 O +HETATM 1272 O HOH A 279 -11.957 26.535 4.895 1.00 40.89 O +HETATM 1273 O HOH A 280 -5.154 48.978 20.866 1.00 42.04 O +HETATM 1274 O HOH A 281 4.452 35.447 -7.965 1.00 42.86 O +HETATM 1275 O HOH A 282 -12.985 30.947 -0.293 1.00 35.31 O +HETATM 1276 O HOH A 283 17.326 29.481 19.620 1.00 36.22 O +HETATM 1277 O HOH A 284 17.670 34.535 16.077 1.00 27.51 O +HETATM 1278 O HOH A 285 -17.088 27.276 2.082 1.00 37.88 O +HETATM 1279 O HOH A 286 -4.367 43.261 -1.362 1.00 44.23 O +HETATM 1280 O HOH A 287 -7.646 44.265 12.937 1.00 45.19 O +HETATM 1281 O HOH A 288 12.007 39.264 -2.152 1.00 42.79 O +HETATM 1282 O HOH A 289 11.254 48.090 24.681 1.00 37.59 O +HETATM 1283 O HOH A 290 13.359 43.105 14.904 1.00 75.59 O +HETATM 1284 O HOH A 291 17.690 32.760 20.712 1.00 39.32 O +HETATM 1285 O HOH A 292 -0.469 18.461 16.126 1.00 49.34 O +HETATM 1286 O HOH A 293 0.549 42.760 2.238 1.00 31.82 O +HETATM 1287 O HOH A 294 15.472 18.344 15.806 1.00 47.09 O +HETATM 1288 O HOH A 295 -1.200 37.695 -8.216 1.00 45.29 O +HETATM 1289 O HOH A 296 -6.904 38.983 -8.209 1.00 48.06 O +HETATM 1290 O HOH A 297 -6.288 46.331 14.117 1.00 38.63 O +HETATM 1291 O HOH A 298 -2.485 44.219 9.183 1.00 38.39 O +HETATM 1292 O HOH A 299 10.402 22.790 -5.240 1.00 52.71 O +HETATM 1293 O HOH A 300 -0.562 40.740 28.446 1.00 45.87 O +HETATM 1294 O HOH A 301 -15.510 44.771 2.782 1.00 43.38 O +HETATM 1295 O HOH A 302 19.536 28.133 16.273 1.00 49.65 O +HETATM 1296 O HOH A 303 5.393 43.208 9.828 1.00 40.07 O +HETATM 1297 O HOH A 304 9.315 44.036 18.605 1.00 51.47 O +HETATM 1298 O HOH A 305 7.981 18.092 0.433 1.00 49.66 O +CONECT 1103 1104 1105 1106 1107 +CONECT 1104 1103 +CONECT 1105 1103 +CONECT 1106 1103 +CONECT 1107 1103 +CONECT 1108 1109 1110 1111 1112 +CONECT 1109 1108 +CONECT 1110 1108 +CONECT 1111 1108 +CONECT 1112 1108 +CONECT 1113 1114 1130 +CONECT 1114 1113 1115 1116 +CONECT 1115 1114 +CONECT 1116 1114 1117 +CONECT 1117 1116 1118 1119 +CONECT 1118 1117 +CONECT 1119 1117 1120 1130 +CONECT 1120 1119 1121 +CONECT 1121 1120 1122 1128 +CONECT 1122 1121 1123 +CONECT 1123 1122 1124 1125 +CONECT 1124 1123 +CONECT 1125 1123 1126 1127 +CONECT 1126 1125 +CONECT 1127 1125 1128 +CONECT 1128 1121 1127 1129 +CONECT 1129 1128 1130 1131 +CONECT 1130 1113 1119 1129 +CONECT 1131 1129 1132 +CONECT 1132 1131 1133 1134 +CONECT 1133 1132 +CONECT 1134 1132 1135 1136 +CONECT 1135 1134 +CONECT 1136 1134 1137 1138 +CONECT 1137 1136 +CONECT 1138 1136 1139 +CONECT 1139 1138 1140 +CONECT 1140 1139 1141 1142 1143 +CONECT 1141 1140 +CONECT 1142 1140 +CONECT 1143 1140 +MASTER 340 0 3 6 5 0 9 6 1297 1 41 12 +END |