HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-APR-06 2GSV TITLE X-RAY CRYSTAL STRUCTURE OF PROTEIN YVFG FROM BACILLUS TITLE 2 SUBTILIS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET TITLE 3 SR478. COMPND MOL_ID: 1; COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YVFG; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 STRAIN: 168; SOURCE 5 GENE: YVFG; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 KEYWDS ALPHA-HELICAL PROTEIN, STRUCTURAL GENOMICS, PSI, PROTEIN KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS KEYWDS 3 CONSORTIUM, NESG, UNKNOWN FUNCTION EXPDTA X-RAY DIFFRACTION AUTHOR F.FOROUHAR,M.SU,S.JAYARAMAN,D.WANG,Y.FANG,K.CUNNINGHAM, AUTHOR 2 K.CONOVER,L.-C.MA,R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG, AUTHOR 3 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 2 24-FEB-09 2GSV 1 VERSN REVDAT 1 09-MAY-06 2GSV 0 JRNL AUTH F.FOROUHAR,M.SU,S.JAYARAMAN,D.WANG,Y.FANG, JRNL AUTH 2 K.CUNNINGHAM,K.CONOVER,L.-C.MA,R.XIAO,T.B.ACTON, JRNL AUTH 3 G.T.MONTELIONE,L.TONG,J.F.HUNT JRNL TITL CRYSTAL STRUCTURE OF THE HYPOTHETICAL PROTEIN YVFG JRNL TITL 2 FROM BACILLUS SUBTILIS, NORTHEAST STRUCTURAL JRNL TITL 3 GENOMICS TARGET SR478 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XTALVIEW, CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 26.87 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 770888.390 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 77.9 REMARK 3 NUMBER OF REFLECTIONS : 20496 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.229 REMARK 3 FREE R VALUE : 0.264 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.400 REMARK 3 FREE R VALUE TEST SET COUNT : 1931 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.02 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 53.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2138 REMARK 3 BIN R VALUE (WORKING SET) : 0.4140 REMARK 3 BIN FREE R VALUE : 0.4040 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.90 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 209 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.028 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1118 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 10 REMARK 3 SOLVENT ATOMS : 75 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 12.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.24000 REMARK 3 B22 (A**2) : -15.85000 REMARK 3 B33 (A**2) : 16.09000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -21.96000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.26 REMARK 3 ESD FROM SIGMAA (A) : 0.49 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.32 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.43 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 0.90 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 17.80 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.71 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : OVERALL NCS RESTRAINTS. RMS SIGMA/ REMARK 3 WEIGHT 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.35 REMARK 3 BSOL : 39.54 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2GSV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-APR-06. REMARK 100 THE RCSB ID CODE IS RCSB037507. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-APR-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.979 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : ADSC, DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25914 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 26.870 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 3.900 REMARK 200 R MERGE (I) : 0.08400 REMARK 200 R SYM (I) : 0.06700 REMARK 200 FOR THE DATA SET : 14.9800 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) : 1.97 REMARK 200 COMPLETENESS FOR SHELL (%) : 98.3 REMARK 200 DATA REDUNDANCY IN SHELL : 3.40 REMARK 200 R MERGE FOR SHELL (I) : 0.35300 REMARK 200 R SYM FOR SHELL (I) : 0.28400 REMARK 200 FOR SHELL : 3.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: BNP, SOLVE/RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.46 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.21 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 10MM TRIS, 16% PEG3350, 180MM REMARK 280 AMMONIUM SULFATE, 5MM DTT, PH 7.5, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 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 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 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2, 3 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: 1850 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7980 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -20.0 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4820 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 15210 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -81.0 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 350 BIOMT1 2 -1.000000 0.000000 0.000000 42.43396 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 106.36577 REMARK 350 REMARK 350 BIOMOLECULE: 3 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4520 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 15510 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -81.0 KCAL/MOL 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 350 BIOMT1 2 -1.000000 0.000000 0.000000 42.43396 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 106.36577 REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 3 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 0.000000 1.000000 0.000000 31.64500 REMARK 350 BIOMT3 3 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 4 -1.000000 0.000000 0.000000 42.43396 REMARK 350 BIOMT2 4 0.000000 1.000000 0.000000 31.64500 REMARK 350 BIOMT3 4 0.000000 0.000000 -1.000000 106.36577 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 S SO4 A 101 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MSE A 1 REMARK 465 SER A 2 REMARK 465 GLU A 70 REMARK 465 SER A 71 REMARK 465 LYS A 72 REMARK 465 LEU A 73 REMARK 465 GLU A 74 REMARK 465 HIS A 75 REMARK 465 HIS A 76 REMARK 465 HIS A 77 REMARK 465 HIS A 78 REMARK 465 HIS A 79 REMARK 465 HIS A 80 REMARK 465 MSE B 1 REMARK 465 GLU B 70 REMARK 465 SER B 71 REMARK 465 LYS B 72 REMARK 465 LEU B 73 REMARK 465 GLU B 74 REMARK 465 HIS B 75 REMARK 465 HIS B 76 REMARK 465 HIS B 77 REMARK 465 HIS B 78 REMARK 465 HIS B 79 REMARK 465 HIS B 80 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 LEU A 46 -0.51 -142.23 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 134 DISTANCE = 5.10 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 101 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 102 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SR478 RELATED DB: TARGETDB DBREF 2GSV A 1 72 UNP P71066 YVFG_BACSU 1 72 DBREF 2GSV B 1 72 UNP P71066 YVFG_BACSU 1 72 SEQADV 2GSV MSE A 1 UNP P71066 MET 1 MODIFIED RESIDUE SEQADV 2GSV MSE A 20 UNP P71066 MET 20 MODIFIED RESIDUE SEQADV 2GSV MSE A 30 UNP P71066 MET 30 MODIFIED RESIDUE SEQADV 2GSV LEU A 73 UNP P71066 CLONING ARTIFACT SEQADV 2GSV GLU A 74 UNP P71066 CLONING ARTIFACT SEQADV 2GSV HIS A 75 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS A 76 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS A 77 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS A 78 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS A 79 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS A 80 UNP P71066 EXPRESSION TAG SEQADV 2GSV MSE B 1 UNP P71066 MET 1 MODIFIED RESIDUE SEQADV 2GSV MSE B 20 UNP P71066 MET 20 MODIFIED RESIDUE SEQADV 2GSV MSE B 30 UNP P71066 MET 30 MODIFIED RESIDUE SEQADV 2GSV LEU B 73 UNP P71066 CLONING ARTIFACT SEQADV 2GSV GLU B 74 UNP P71066 CLONING ARTIFACT SEQADV 2GSV HIS B 75 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS B 76 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS B 77 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS B 78 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS B 79 UNP P71066 EXPRESSION TAG SEQADV 2GSV HIS B 80 UNP P71066 EXPRESSION TAG SEQRES 1 A 80 MSE SER GLU LEU PHE SER VAL PRO TYR PHE ILE GLU ASN SEQRES 2 A 80 LEU LYS GLN HIS ILE GLU MSE ASN GLN SER GLU ASP LYS SEQRES 3 A 80 ILE HIS ALA MSE ASN SER TYR TYR ARG SER VAL VAL SER SEQRES 4 A 80 THR LEU VAL GLN ASP GLN LEU THR LYS ASN ALA VAL VAL SEQRES 5 A 80 LEU LYS ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN LYS SEQRES 6 A 80 VAL LYS ARG GLY GLU SER LYS LEU GLU HIS HIS HIS HIS SEQRES 7 A 80 HIS HIS SEQRES 1 B 80 MSE SER GLU LEU PHE SER VAL PRO TYR PHE ILE GLU ASN SEQRES 2 B 80 LEU LYS GLN HIS ILE GLU MSE ASN GLN SER GLU ASP LYS SEQRES 3 B 80 ILE HIS ALA MSE ASN SER TYR TYR ARG SER VAL VAL SER SEQRES 4 B 80 THR LEU VAL GLN ASP GLN LEU THR LYS ASN ALA VAL VAL SEQRES 5 B 80 LEU LYS ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN LYS SEQRES 6 B 80 VAL LYS ARG GLY GLU SER LYS LEU GLU HIS HIS HIS HIS SEQRES 7 B 80 HIS HIS MODRES 2GSV MSE A 20 MET SELENOMETHIONINE MODRES 2GSV MSE A 30 MET SELENOMETHIONINE MODRES 2GSV MSE B 20 MET SELENOMETHIONINE MODRES 2GSV MSE B 30 MET SELENOMETHIONINE HET MSE A 20 8 HET MSE A 30 8 HET MSE B 20 8 HET MSE B 30 8 HET SO4 A 101 5 HET SO4 B 102 5 HETNAM MSE SELENOMETHIONINE HETNAM SO4 SULFATE ION FORMUL 1 MSE 4(C5 H11 N O2 SE) FORMUL 3 SO4 2(O4 S 2-) FORMUL 5 HOH *75(H2 O) HELIX 1 1 SER A 6 ASN A 21 1 16 HELIX 2 2 ASP A 25 ASP A 44 1 20 HELIX 3 3 LYS A 48 GLY A 69 1 22 HELIX 4 4 SER B 6 ASN B 21 1 16 HELIX 5 5 ASP B 25 GLN B 43 1 19 HELIX 6 6 LYS B 48 GLY B 69 1 22 LINK C GLU A 19 N MSE A 20 1555 1555 1.33 LINK C MSE A 20 N ASN A 21 1555 1555 1.33 LINK C ALA A 29 N MSE A 30 1555 1555 1.33 LINK C MSE A 30 N ASN A 31 1555 1555 1.34 LINK C GLU B 19 N MSE B 20 1555 1555 1.33 LINK C MSE B 20 N ASN B 21 1555 1555 1.33 LINK C ALA B 29 N MSE B 30 1555 1555 1.33 LINK C MSE B 30 N ASN B 31 1555 1555 1.33 SITE 1 AC1 2 LYS A 48 ASN A 49 SITE 1 AC2 3 GLU B 61 ASN B 64 ARG B 68 CRYST1 51.048 31.645 53.357 90.00 94.63 90.00 P 1 2 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.019589 0.000000 0.001586 0.00000 SCALE2 0.000000 0.031601 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018803 0.00000 REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2GSV.PDB, MODEL/S 1 2GSV.PDB REMARK PdbStat -- SEQRES 1 A 211 GLU LEU PHE SER VAL PRO TYR PHE ILE GLU ASN LEU LYS SEQRES 2 A 211 GLN HIS ILE GLU MSE ASN GLN SER GLU ASP LYS ILE HIS SEQRES 3 A 211 ALA MSE ASN SER TYR TYR ARG SER VAL VAL SER THR LEU SEQRES 4 A 211 VAL GLN ASP GLN LEU THR LYS ASN ALA VAL VAL LEU LYS SEQRES 5 A 211 ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN LYS VAL LYS SEQRES 6 A 211 ARG GLY SER GLU LEU PHE SER VAL PRO TYR PHE ILE GLU SEQRES 7 A 211 ASN LEU LYS GLN HIS ILE GLU MSE ASN GLN SER GLU ASP SEQRES 8 A 211 LYS ILE HIS ALA MSE ASN SER TYR TYR ARG SER VAL VAL SEQRES 9 A 211 SER THR LEU VAL GLN ASP GLN LEU THR LYS ASN ALA VAL SEQRES 10 A 211 VAL LEU LYS ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN SEQRES 11 A 211 LYS VAL LYS ARG GLY SO4 SO4 HOH HOH HOH HOH HOH HOH SEQRES 12 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 211 HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2GSV.PDB, MODEL/S 1 2GSV.PDB REMARK PdbStat -- SEQRES 1 A 211 GLU LEU PHE SER VAL PRO TYR PHE ILE GLU ASN LEU LYS SEQRES 2 A 211 GLN HIS ILE GLU MSE ASN GLN SER GLU ASP LYS ILE HIS SEQRES 3 A 211 ALA MSE ASN SER TYR TYR ARG SER VAL VAL SER THR LEU SEQRES 4 A 211 VAL GLN ASP GLN LEU THR LYS ASN ALA VAL VAL LEU LYS SEQRES 5 A 211 ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN LYS VAL LYS SEQRES 6 A 211 ARG GLY SER GLU LEU PHE SER VAL PRO TYR PHE ILE GLU SEQRES 7 A 211 ASN LEU LYS GLN HIS ILE GLU MSE ASN GLN SER GLU ASP SEQRES 8 A 211 LYS ILE HIS ALA MSE ASN SER TYR TYR ARG SER VAL VAL SEQRES 9 A 211 SER THR LEU VAL GLN ASP GLN LEU THR LYS ASN ALA VAL SEQRES 10 A 211 VAL LEU LYS ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN SEQRES 11 A 211 LYS VAL LYS ARG GLY SO4 SO4 HOH HOH HOH HOH HOH HOH SEQRES 12 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 211 HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2GSV.PDB, MODEL/S 1 2GSV.PDB REMARK PdbStat -- SEQRES 1 A 211 GLU LEU PHE SER VAL PRO TYR PHE ILE GLU ASN LEU LYS SEQRES 2 A 211 GLN HIS ILE GLU MSE ASN GLN SER GLU ASP LYS ILE HIS SEQRES 3 A 211 ALA MSE ASN SER TYR TYR ARG SER VAL VAL SER THR LEU SEQRES 4 A 211 VAL GLN ASP GLN LEU THR LYS ASN ALA VAL VAL LEU LYS SEQRES 5 A 211 ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN LYS VAL LYS SEQRES 6 A 211 ARG GLY SER GLU LEU PHE SER VAL PRO TYR PHE ILE GLU SEQRES 7 A 211 ASN LEU LYS GLN HIS ILE GLU MSE ASN GLN SER GLU ASP SEQRES 8 A 211 LYS ILE HIS ALA MSE ASN SER TYR TYR ARG SER VAL VAL SEQRES 9 A 211 SER THR LEU VAL GLN ASP GLN LEU THR LYS ASN ALA VAL SEQRES 10 A 211 VAL LEU LYS ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN SEQRES 11 A 211 LYS VAL LYS ARG GLY SO4 SO4 HOH HOH HOH HOH HOH HOH SEQRES 12 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 211 HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2GSV.PDB, MODEL/S 1 2GSV.PDB REMARK PdbStat -- SEQRES 1 A 211 GLU LEU PHE SER VAL PRO TYR PHE ILE GLU ASN LEU LYS SEQRES 2 A 211 GLN HIS ILE GLU MSE ASN GLN SER GLU ASP LYS ILE HIS SEQRES 3 A 211 ALA MSE ASN SER TYR TYR ARG SER VAL VAL SER THR LEU SEQRES 4 A 211 VAL GLN ASP GLN LEU THR LYS ASN ALA VAL VAL LEU LYS SEQRES 5 A 211 ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN LYS VAL LYS SEQRES 6 A 211 ARG GLY SER GLU LEU PHE SER VAL PRO TYR PHE ILE GLU SEQRES 7 A 211 ASN LEU LYS GLN HIS ILE GLU MSE ASN GLN SER GLU ASP SEQRES 8 A 211 LYS ILE HIS ALA MSE ASN SER TYR TYR ARG SER VAL VAL SEQRES 9 A 211 SER THR LEU VAL GLN ASP GLN LEU THR LYS ASN ALA VAL SEQRES 10 A 211 VAL LEU LYS ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN SEQRES 11 A 211 LYS VAL LYS ARG GLY SO4 SO4 HOH HOH HOH HOH HOH HOH SEQRES 12 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 211 HOH HOH HOH REMARK PdbStat -- REMARK PdbStat -- PDB COORDINATES FOR 2GSV.PDB, MODEL/S 1 2GSV.PDB REMARK PdbStat -- SEQRES 1 A 211 GLU LEU PHE SER VAL PRO TYR PHE ILE GLU ASN LEU LYS SEQRES 2 A 211 GLN HIS ILE GLU MSE ASN GLN SER GLU ASP LYS ILE HIS SEQRES 3 A 211 ALA MSE ASN SER TYR TYR ARG SER VAL VAL SER THR LEU SEQRES 4 A 211 VAL GLN ASP GLN LEU THR LYS ASN ALA VAL VAL LEU LYS SEQRES 5 A 211 ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN LYS VAL LYS SEQRES 6 A 211 ARG GLY SER GLU LEU PHE SER VAL PRO TYR PHE ILE GLU SEQRES 7 A 211 ASN LEU LYS GLN HIS ILE GLU MSE ASN GLN SER GLU ASP SEQRES 8 A 211 LYS ILE HIS ALA MSE ASN SER TYR TYR ARG SER VAL VAL SEQRES 9 A 211 SER THR LEU VAL GLN ASP GLN LEU THR LYS ASN ALA VAL SEQRES 10 A 211 VAL LEU LYS ARG ILE GLN HIS LEU ASP GLU ALA TYR ASN SEQRES 11 A 211 LYS VAL LYS ARG GLY SO4 SO4 HOH HOH HOH HOH HOH HOH SEQRES 12 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 13 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 14 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 15 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 16 A 211 HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH HOH SEQRES 17 A 211 HOH HOH HOH MODEL 1 REMARK CONFORMATION 1 ENERGY 0.0000 REMARK FAMILY or FILE: 2GSV.pdb ATOM 1 N GLU A 3 4.929 -2.347 13.774 1.00 57.40 N ATOM 2 CA GLU A 3 4.270 -1.467 12.761 1.00 57.73 C ATOM 3 C GLU A 3 4.748 -1.799 11.348 1.00 56.00 C ATOM 4 O GLU A 3 3.951 -1.851 10.409 1.00 55.54 O ATOM 5 CB GLU A 3 4.570 0.005 13.065 1.00 59.12 C ATOM 6 CG GLU A 3 3.915 0.990 12.101 1.00 61.66 C ATOM 7 CD GLU A 3 4.216 2.439 12.449 1.00 63.26 C ATOM 8 OE1 GLU A 3 5.391 2.853 12.345 1.00 64.96 O ATOM 9 OE2 GLU A 3 3.277 3.166 12.835 1.00 65.03 O ATOM 10 N LEU A 4 6.051 -2.026 11.208 1.00 53.30 N ATOM 11 CA LEU A 4 6.642 -2.343 9.912 1.00 49.94 C ATOM 12 C LEU A 4 6.302 -3.754 9.454 1.00 46.39 C ATOM 13 O LEU A 4 6.433 -4.716 10.208 1.00 45.87 O ATOM 14 CB LEU A 4 8.164 -2.182 9.972 1.00 51.17 C ATOM 15 CG LEU A 4 8.771 -1.054 9.135 1.00 50.72 C ATOM 16 CD1 LEU A 4 10.265 -0.978 9.403 1.00 51.23 C ATOM 17 CD2 LEU A 4 8.499 -1.302 7.657 1.00 50.66 C ATOM 18 N PHE A 5 5.868 -3.866 8.207 1.00 43.46 N ATOM 19 CA PHE A 5 5.513 -5.150 7.634 1.00 39.67 C ATOM 20 C PHE A 5 4.316 -5.775 8.344 1.00 37.82 C ATOM 21 O PHE A 5 4.169 -6.992 8.382 1.00 38.78 O ATOM 22 CB PHE A 5 6.719 -6.094 7.678 1.00 39.70 C ATOM 23 CG PHE A 5 7.925 -5.581 6.925 1.00 39.93 C ATOM 24 CD1 PHE A 5 9.149 -5.414 7.568 1.00 40.43 C ATOM 25 CD2 PHE A 5 7.843 -5.284 5.569 1.00 41.03 C ATOM 26 CE1 PHE A 5 10.273 -4.963 6.870 1.00 39.98 C ATOM 27 CE2 PHE A 5 8.963 -4.834 4.864 1.00 39.25 C ATOM 28 CZ PHE A 5 10.178 -4.675 5.518 1.00 38.57 C ATOM 29 N SER A 6 3.458 -4.930 8.903 1.00 36.07 N ATOM 30 CA SER A 6 2.249 -5.393 9.582 1.00 35.63 C ATOM 31 C SER A 6 1.130 -5.344 8.556 1.00 33.83 C ATOM 32 O SER A 6 1.296 -4.767 7.482 1.00 33.26 O ATOM 33 CB SER A 6 1.897 -4.469 10.747 1.00 32.73 C ATOM 34 OG SER A 6 1.547 -3.183 10.264 1.00 33.54 O ATOM 35 N VAL A 7 -0.009 -5.937 8.894 1.00 34.66 N ATOM 36 CA VAL A 7 -1.158 -5.961 7.995 1.00 35.23 C ATOM 37 C VAL A 7 -1.573 -4.549 7.579 1.00 37.15 C ATOM 38 O VAL A 7 -1.654 -4.244 6.385 1.00 35.17 O ATOM 39 CB VAL A 7 -2.363 -6.672 8.649 1.00 33.77 C ATOM 40 CG1 VAL A 7 -3.604 -6.521 7.783 1.00 31.14 C ATOM 41 CG2 VAL A 7 -2.034 -8.139 8.865 1.00 32.22 C ATOM 42 N PRO A 8 -1.846 -3.667 8.559 1.00 38.16 N ATOM 43 CA PRO A 8 -2.245 -2.303 8.197 1.00 38.09 C ATOM 44 C PRO A 8 -1.192 -1.635 7.316 1.00 37.11 C ATOM 45 O PRO A 8 -1.513 -0.826 6.447 1.00 39.69 O ATOM 46 CB PRO A 8 -2.411 -1.619 9.557 1.00 37.09 C ATOM 47 CG PRO A 8 -1.454 -2.377 10.435 1.00 41.28 C ATOM 48 CD PRO A 8 -1.697 -3.800 10.019 1.00 37.64 C ATOM 49 N TYR A 9 0.069 -1.980 7.545 1.00 36.78 N ATOM 50 CA TYR A 9 1.162 -1.425 6.751 1.00 34.69 C ATOM 51 C TYR A 9 0.999 -1.793 5.271 1.00 34.01 C ATOM 52 O TYR A 9 1.057 -0.925 4.391 1.00 32.59 O ATOM 53 CB TYR A 9 2.503 -1.959 7.247 1.00 34.83 C ATOM 54 CG TYR A 9 3.658 -1.609 6.339 1.00 33.74 C ATOM 55 CD1 TYR A 9 4.225 -0.344 6.362 1.00 33.76 C ATOM 56 CD2 TYR A 9 4.165 -2.541 5.432 1.00 35.07 C ATOM 57 CE1 TYR A 9 5.270 -0.008 5.505 1.00 35.06 C ATOM 58 CE2 TYR A 9 5.210 -2.216 4.566 1.00 33.97 C ATOM 59 CZ TYR A 9 5.754 -0.944 4.615 1.00 33.75 C ATOM 60 OH TYR A 9 6.783 -0.599 3.781 1.00 33.81 O ATOM 61 N PHE A 10 0.801 -3.082 4.996 1.00 32.28 N ATOM 62 CA PHE A 10 0.642 -3.547 3.618 1.00 30.08 C ATOM 63 C PHE A 10 -0.655 -3.084 2.971 1.00 30.74 C ATOM 64 O PHE A 10 -0.721 -2.916 1.751 1.00 29.80 O ATOM 65 CB PHE A 10 0.743 -5.069 3.549 1.00 28.61 C ATOM 66 CG PHE A 10 2.136 -5.588 3.737 1.00 26.96 C ATOM 67 CD1 PHE A 10 3.170 -5.158 2.912 1.00 25.48 C ATOM 68 CD2 PHE A 10 2.419 -6.504 4.745 1.00 25.46 C ATOM 69 CE1 PHE A 10 4.465 -5.640 3.091 1.00 26.50 C ATOM 70 CE2 PHE A 10 3.705 -6.987 4.929 1.00 25.34 C ATOM 71 CZ PHE A 10 4.736 -6.551 4.096 1.00 25.69 C ATOM 72 N ILE A 11 -1.692 -2.891 3.779 1.00 28.39 N ATOM 73 CA ILE A 11 -2.955 -2.417 3.250 1.00 28.93 C ATOM 74 C ILE A 11 -2.730 -1.009 2.700 1.00 29.85 C ATOM 75 O ILE A 11 -3.145 -0.693 1.589 1.00 30.26 O ATOM 76 CB ILE A 11 -4.030 -2.388 4.352 1.00 30.43 C ATOM 77 CG1 ILE A 11 -4.399 -3.824 4.744 1.00 32.48 C ATOM 78 CG2 ILE A 11 -5.253 -1.604 3.878 1.00 30.85 C ATOM 79 CD1 ILE A 11 -5.411 -3.923 5.871 1.00 32.81 C ATOM 80 N GLU A 12 -2.051 -0.178 3.488 1.00 30.95 N ATOM 81 CA GLU A 12 -1.742 1.198 3.115 1.00 32.66 C ATOM 82 C GLU A 12 -0.877 1.275 1.860 1.00 32.05 C ATOM 83 O GLU A 12 -1.187 2.026 0.943 1.00 30.72 O ATOM 84 CB GLU A 12 -1.033 1.897 4.285 1.00 37.48 C ATOM 85 CG GLU A 12 -0.516 3.318 4.022 1.00 41.07 C ATOM 86 CD GLU A 12 -1.602 4.300 3.599 1.00 45.48 C ATOM 87 OE1 GLU A 12 -2.729 4.216 4.134 1.00 46.08 O ATOM 88 OE2 GLU A 12 -1.322 5.173 2.743 1.00 48.19 O ATOM 89 N ASN A 13 0.199 0.493 1.819 1.00 30.52 N ATOM 90 CA ASN A 13 1.098 0.495 0.670 1.00 30.34 C ATOM 91 C ASN A 13 0.470 -0.090 -0.587 1.00 30.95 C ATOM 92 O ASN A 13 0.775 0.352 -1.697 1.00 30.21 O ATOM 93 CB ASN A 13 2.390 -0.234 1.021 1.00 32.10 C ATOM 94 CG ASN A 13 3.394 0.674 1.692 1.00 33.89 C ATOM 95 OD1 ASN A 13 4.229 1.283 1.027 1.00 37.10 O ATOM 96 ND2 ASN A 13 3.299 0.799 3.012 1.00 34.20 N ATOM 97 N LEU A 14 -0.407 -1.078 -0.415 1.00 31.65 N ATOM 98 CA LEU A 14 -1.108 -1.677 -1.546 1.00 31.32 C ATOM 99 C LEU A 14 -1.960 -0.584 -2.175 1.00 32.19 C ATOM 100 O LEU A 14 -1.922 -0.373 -3.386 1.00 31.75 O ATOM 101 CB LEU A 14 -2.007 -2.828 -1.073 1.00 31.45 C ATOM 102 CG LEU A 14 -1.401 -4.232 -1.149 1.00 32.65 C ATOM 103 CD1 LEU A 14 -2.176 -5.206 -0.266 1.00 30.81 C ATOM 104 CD2 LEU A 14 -1.416 -4.688 -2.605 1.00 29.77 C ATOM 105 N LYS A 15 -2.717 0.121 -1.341 1.00 31.27 N ATOM 106 CA LYS A 15 -3.573 1.190 -1.826 1.00 31.85 C ATOM 107 C LYS A 15 -2.788 2.299 -2.515 1.00 32.21 C ATOM 108 O LYS A 15 -3.248 2.848 -3.512 1.00 32.85 O ATOM 109 CB LYS A 15 -4.413 1.753 -0.680 1.00 33.34 C ATOM 110 CG LYS A 15 -5.472 0.772 -0.187 1.00 38.44 C ATOM 111 CD LYS A 15 -6.328 1.368 0.915 1.00 40.76 C ATOM 112 CE LYS A 15 -7.330 0.354 1.437 1.00 43.78 C ATOM 113 NZ LYS A 15 -8.216 0.948 2.480 1.00 46.18 N ATOM 114 N GLN A 16 -1.602 2.622 -1.998 1.00 32.68 N ATOM 115 CA GLN A 16 -0.779 3.660 -2.608 1.00 31.60 C ATOM 116 C GLN A 16 -0.312 3.245 -4.000 1.00 30.90 C ATOM 117 O GLN A 16 -0.307 4.058 -4.925 1.00 31.01 O ATOM 118 CB GLN A 16 0.442 3.974 -1.741 1.00 32.77 C ATOM 119 CG GLN A 16 0.116 4.695 -0.451 1.00 37.54 C ATOM 120 CD GLN A 16 1.357 5.076 0.338 1.00 40.43 C ATOM 121 OE1 GLN A 16 1.269 5.746 1.368 1.00 45.39 O ATOM 122 NE2 GLN A 16 2.518 4.650 -0.139 1.00 39.24 N ATOM 123 N HIS A 17 0.085 1.986 -4.154 1.00 27.40 N ATOM 124 CA HIS A 17 0.540 1.513 -5.455 1.00 27.56 C ATOM 125 C HIS A 17 -0.615 1.473 -6.450 1.00 27.61 C ATOM 126 O HIS A 17 -0.461 1.848 -7.613 1.00 27.45 O ATOM 127 CB HIS A 17 1.195 0.129 -5.336 1.00 25.84 C ATOM 128 CG HIS A 17 1.564 -0.480 -6.655 1.00 28.11 C ATOM 129 ND1 HIS A 17 2.437 0.122 -7.539 1.00 28.63 N ATOM 130 CD2 HIS A 17 1.188 -1.642 -7.236 1.00 28.04 C ATOM 131 CE1 HIS A 17 2.582 -0.646 -8.604 1.00 28.96 C ATOM 132 NE2 HIS A 17 1.835 -1.724 -8.444 1.00 28.78 N ATOM 133 N ILE A 18 -1.775 1.016 -5.992 1.00 26.59 N ATOM 134 CA ILE A 18 -2.955 0.959 -6.851 1.00 24.75 C ATOM 135 C ILE A 18 -3.275 2.336 -7.433 1.00 25.54 C ATOM 136 O ILE A 18 -3.553 2.474 -8.627 1.00 24.04 O ATOM 137 CB ILE A 18 -4.194 0.488 -6.066 1.00 24.62 C ATOM 138 CG1 ILE A 18 -3.976 -0.936 -5.556 1.00 23.62 C ATOM 139 CG2 ILE A 18 -5.435 0.583 -6.949 1.00 26.13 C ATOM 140 CD1 ILE A 18 -5.053 -1.416 -4.631 1.00 24.33 C ATOM 141 N GLU A 19 -3.232 3.353 -6.579 1.00 26.69 N ATOM 142 CA GLU A 19 -3.528 4.723 -6.993 1.00 30.03 C ATOM 143 C GLU A 19 -2.439 5.416 -7.809 1.00 29.24 C ATOM 144 O GLU A 19 -2.747 6.155 -8.737 1.00 29.05 O ATOM 145 CB GLU A 19 -3.824 5.591 -5.771 1.00 35.97 C ATOM 146 CG GLU A 19 -4.945 5.083 -4.887 1.00 45.54 C ATOM 147 CD GLU A 19 -5.329 6.086 -3.813 1.00 51.57 C ATOM 148 OE1 GLU A 19 -6.140 5.728 -2.931 1.00 55.03 O ATOM 149 OE2 GLU A 19 -4.831 7.237 -3.859 1.00 54.87 O HETATM 150 N MSE A 20 -1.177 5.196 -7.452 1.00 28.89 N HETATM 151 CA MSE A 20 -0.055 5.829 -8.147 1.00 31.61 C HETATM 152 C MSE A 20 0.258 5.195 -9.494 1.00 33.58 C HETATM 153 O MSE A 20 0.782 5.850 -10.398 1.00 35.21 O HETATM 154 CB MSE A 20 1.194 5.790 -7.266 1.00 32.41 C HETATM 155 CG MSE A 20 1.188 6.802 -6.122 1.00 35.91 C HETATM 156 SE MSE A 20 2.440 6.385 -4.689 1.00 45.14 HETATM 157 CE MSE A 20 1.519 7.252 -3.210 1.00 40.10 C ATOM 158 N ASN A 21 -0.053 3.912 -9.616 1.00 34.53 N ATOM 159 CA ASN A 21 0.173 3.170 -10.846 1.00 34.15 C ATOM 160 C ASN A 21 -0.712 3.786 -11.927 1.00 33.06 C ATOM 161 O ASN A 21 -1.878 4.086 -11.679 1.00 33.13 O ATOM 162 CB ASN A 21 -0.210 1.706 -10.615 1.00 35.61 C ATOM 163 CG ASN A 21 0.194 0.816 -11.751 1.00 35.82 C ATOM 164 OD1 ASN A 21 -0.153 1.070 -12.895 1.00 39.66 O ATOM 165 ND2 ASN A 21 0.939 -0.242 -11.443 1.00 40.38 N ATOM 166 N GLN A 22 -0.163 3.970 -13.123 1.00 32.62 N ATOM 167 CA GLN A 22 -0.919 4.558 -14.230 1.00 31.76 C ATOM 168 C GLN A 22 -1.193 3.595 -15.390 1.00 31.10 C ATOM 169 O GLN A 22 -1.817 3.983 -16.374 1.00 32.95 O ATOM 170 CB GLN A 22 -0.184 5.786 -14.770 1.00 31.77 C ATOM 171 CG GLN A 22 -0.010 6.893 -13.766 1.00 32.59 C ATOM 172 CD GLN A 22 -1.327 7.505 -13.357 1.00 34.79 C ATOM 173 OE1 GLN A 22 -1.786 7.330 -12.227 1.00 36.19 O ATOM 174 NE2 GLN A 22 -1.950 8.227 -14.280 1.00 36.15 N ATOM 175 N SER A 23 -0.737 2.348 -15.285 1.00 28.32 N ATOM 176 CA SER A 23 -0.967 1.382 -16.358 1.00 28.71 C ATOM 177 C SER A 23 -1.661 0.089 -15.934 1.00 27.22 C ATOM 178 O SER A 23 -2.042 -0.714 -16.780 1.00 27.03 O ATOM 179 CB SER A 23 0.357 1.038 -17.064 1.00 27.47 C ATOM 180 OG SER A 23 1.309 0.497 -16.164 1.00 29.87 O ATOM 181 N GLU A 24 -1.830 -0.127 -14.632 1.00 28.54 N ATOM 182 CA GLU A 24 -2.475 -1.356 -14.164 1.00 26.38 C ATOM 183 C GLU A 24 -3.695 -1.049 -13.303 1.00 27.08 C ATOM 184 O GLU A 24 -3.651 -0.137 -12.476 1.00 25.71 O ATOM 185 CB GLU A 24 -1.484 -2.205 -13.352 1.00 28.64 C ATOM 186 CG GLU A 24 -0.198 -2.552 -14.083 1.00 30.84 C ATOM 187 CD GLU A 24 0.771 -3.340 -13.220 1.00 35.52 C ATOM 188 OE1 GLU A 24 1.107 -2.887 -12.105 1.00 40.66 O ATOM 189 OE2 GLU A 24 1.215 -4.416 -13.655 1.00 38.48 O ATOM 190 N ASP A 25 -4.784 -1.792 -13.502 1.00 26.48 N ATOM 191 CA ASP A 25 -5.974 -1.566 -12.694 1.00 27.67 C ATOM 192 C ASP A 25 -5.793 -2.229 -11.325 1.00 26.60 C ATOM 193 O ASP A 25 -4.775 -2.875 -11.076 1.00 25.28 O ATOM 194 CB ASP A 25 -7.252 -2.043 -13.417 1.00 27.06 C ATOM 195 CG ASP A 25 -7.175 -3.482 -13.905 1.00 29.68 C ATOM 196 OD1 ASP A 25 -7.830 -3.775 -14.925 1.00 30.37 O ATOM 197 OD2 ASP A 25 -6.493 -4.315 -13.283 1.00 26.07 O ATOM 198 N LYS A 26 -6.768 -2.048 -10.439 1.00 28.39 N ATOM 199 CA LYS A 26 -6.702 -2.556 -9.071 1.00 27.83 C ATOM 200 C LYS A 26 -6.049 -3.913 -8.873 1.00 27.61 C ATOM 201 O LYS A 26 -4.959 -4.005 -8.303 1.00 28.41 O ATOM 202 CB LYS A 26 -8.103 -2.589 -8.460 1.00 30.62 C ATOM 203 CG LYS A 26 -8.145 -2.901 -6.965 1.00 36.53 C ATOM 204 CD LYS A 26 -9.575 -3.259 -6.535 1.00 40.62 C ATOM 205 CE LYS A 26 -9.722 -3.366 -5.022 1.00 42.63 C ATOM 206 NZ LYS A 26 -9.482 -2.052 -4.363 1.00 43.30 N ATOM 207 N ILE A 27 -6.713 -4.964 -9.343 1.00 27.15 N ATOM 208 CA ILE A 27 -6.211 -6.318 -9.169 1.00 26.17 C ATOM 209 C ILE A 27 -4.828 -6.577 -9.768 1.00 25.48 C ATOM 210 O ILE A 27 -3.996 -7.236 -9.136 1.00 22.91 O ATOM 211 CB ILE A 27 -7.231 -7.349 -9.715 1.00 26.82 C ATOM 212 CG1 ILE A 27 -7.100 -8.657 -8.946 1.00 28.96 C ATOM 213 CG2 ILE A 27 -7.021 -7.588 -11.206 1.00 26.76 C ATOM 214 CD1 ILE A 27 -5.804 -9.373 -9.135 1.00 34.30 C ATOM 215 N HIS A 28 -4.575 -6.076 -10.975 1.00 24.77 N ATOM 216 CA HIS A 28 -3.274 -6.288 -11.593 1.00 23.17 C ATOM 217 C HIS A 28 -2.183 -5.603 -10.765 1.00 24.27 C ATOM 218 O HIS A 28 -1.107 -6.169 -10.568 1.00 24.72 O ATOM 219 CB HIS A 28 -3.244 -5.746 -13.036 1.00 23.42 C ATOM 220 CG HIS A 28 -3.838 -6.674 -14.055 1.00 21.80 C ATOM 221 ND1 HIS A 28 -3.857 -8.044 -13.896 1.00 24.33 N ATOM 222 CD2 HIS A 28 -4.363 -6.435 -15.280 1.00 23.93 C ATOM 223 CE1 HIS A 28 -4.366 -8.605 -14.977 1.00 23.48 C ATOM 224 NE2 HIS A 28 -4.680 -7.651 -15.835 1.00 24.06 N ATOM 225 N ALA A 29 -2.463 -4.392 -10.284 1.00 24.90 N ATOM 226 CA ALA A 29 -1.501 -3.637 -9.483 1.00 24.18 C ATOM 227 C ALA A 29 -1.185 -4.372 -8.188 1.00 25.70 C ATOM 228 O ALA A 29 -0.023 -4.467 -7.779 1.00 24.82 O ATOM 229 CB ALA A 29 -2.041 -2.241 -9.175 1.00 24.30 C HETATM 230 N MSE A 30 -2.214 -4.907 -7.544 1.00 25.73 N HETATM 231 CA MSE A 30 -2.005 -5.645 -6.301 1.00 26.76 C HETATM 232 C MSE A 30 -1.074 -6.843 -6.522 1.00 27.09 C HETATM 233 O MSE A 30 -0.163 -7.073 -5.729 1.00 26.00 O HETATM 234 CB MSE A 30 -3.344 -6.132 -5.742 1.00 30.69 C HETATM 235 CG MSE A 30 -4.239 -5.029 -5.222 1.00 34.47 C HETATM 236 SE MSE A 30 -5.995 -5.721 -4.840 1.00 46.13 HETATM 237 CE MSE A 30 -5.526 -6.852 -3.350 1.00 36.97 C ATOM 238 N ASN A 31 -1.305 -7.598 -7.598 1.00 25.66 N ATOM 239 CA ASN A 31 -0.475 -8.757 -7.908 1.00 25.96 C ATOM 240 C ASN A 31 0.973 -8.354 -8.192 1.00 26.62 C ATOM 241 O ASN A 31 1.905 -9.028 -7.754 1.00 26.34 O ATOM 242 CB ASN A 31 -1.027 -9.528 -9.118 1.00 24.19 C ATOM 243 CG ASN A 31 -2.336 -10.266 -8.820 1.00 26.43 C ATOM 244 OD1 ASN A 31 -2.993 -10.753 -9.743 1.00 25.05 O ATOM 245 ND2 ASN A 31 -2.708 -10.365 -7.539 1.00 23.15 N ATOM 246 N SER A 32 1.170 -7.265 -8.930 1.00 27.10 N ATOM 247 CA SER A 32 2.527 -6.821 -9.244 1.00 27.74 C ATOM 248 C SER A 32 3.244 -6.322 -7.983 1.00 25.57 C ATOM 249 O SER A 32 4.432 -6.584 -7.788 1.00 26.56 O ATOM 250 CB SER A 32 2.505 -5.734 -10.335 1.00 24.20 C ATOM 251 OG SER A 32 1.892 -4.530 -9.894 1.00 34.59 O ATOM 252 N TYR A 33 2.521 -5.605 -7.129 1.00 24.73 N ATOM 253 CA TYR A 33 3.082 -5.113 -5.875 1.00 24.46 C ATOM 254 C TYR A 33 3.486 -6.318 -5.018 1.00 25.95 C ATOM 255 O TYR A 33 4.597 -6.385 -4.484 1.00 25.13 O ATOM 256 CB TYR A 33 2.032 -4.291 -5.120 1.00 25.49 C ATOM 257 CG TYR A 33 2.415 -3.926 -3.693 1.00 26.14 C ATOM 258 CD1 TYR A 33 3.120 -2.761 -3.412 1.00 26.28 C ATOM 259 CD2 TYR A 33 2.095 -4.770 -2.631 1.00 26.01 C ATOM 260 CE1 TYR A 33 3.502 -2.443 -2.108 1.00 28.49 C ATOM 261 CE2 TYR A 33 2.473 -4.465 -1.327 1.00 28.05 C ATOM 262 CZ TYR A 33 3.178 -3.305 -1.073 1.00 27.85 C ATOM 263 OH TYR A 33 3.585 -3.022 0.208 1.00 27.43 O ATOM 264 N TYR A 34 2.564 -7.268 -4.897 1.00 26.33 N ATOM 265 CA TYR A 34 2.756 -8.480 -4.103 1.00 24.46 C ATOM 266 C TYR A 34 3.984 -9.266 -4.523 1.00 26.52 C ATOM 267 O TYR A 34 4.802 -9.651 -3.690 1.00 25.69 O ATOM 268 CB TYR A 34 1.516 -9.357 -4.252 1.00 24.52 C ATOM 269 CG TYR A 34 1.429 -10.565 -3.344 1.00 24.46 C ATOM 270 CD1 TYR A 34 2.186 -11.709 -3.585 1.00 19.75 C ATOM 271 CD2 TYR A 34 0.519 -10.588 -2.285 1.00 22.45 C ATOM 272 CE1 TYR A 34 2.030 -12.851 -2.797 1.00 23.93 C ATOM 273 CE2 TYR A 34 0.355 -11.724 -1.495 1.00 25.30 C ATOM 274 CZ TYR A 34 1.103 -12.849 -1.752 1.00 25.37 C ATOM 275 OH TYR A 34 0.901 -13.977 -0.981 1.00 25.76 O ATOM 276 N ARG A 35 4.087 -9.528 -5.821 1.00 26.87 N ATOM 277 CA ARG A 35 5.210 -10.274 -6.349 1.00 26.93 C ATOM 278 C ARG A 35 6.500 -9.505 -6.026 1.00 26.45 C ATOM 279 O ARG A 35 7.455 -10.075 -5.502 1.00 26.44 O ATOM 280 CB ARG A 35 5.039 -10.456 -7.864 1.00 25.02 C ATOM 281 CG ARG A 35 5.903 -11.559 -8.493 1.00 28.43 C ATOM 282 CD ARG A 35 7.370 -11.154 -8.604 1.00 29.21 C ATOM 283 NE ARG A 35 7.489 -9.809 -9.146 1.00 33.59 N ATOM 284 CZ ARG A 35 8.641 -9.181 -9.370 1.00 35.38 C ATOM 285 NH1 ARG A 35 8.638 -7.949 -9.862 1.00 32.62 N ATOM 286 NH2 ARG A 35 9.798 -9.783 -9.107 1.00 35.96 N ATOM 287 N SER A 36 6.514 -8.207 -6.312 1.00 27.14 N ATOM 288 CA SER A 36 7.709 -7.399 -6.058 1.00 28.26 C ATOM 289 C SER A 36 8.164 -7.379 -4.595 1.00 26.77 C ATOM 290 O SER A 36 9.367 -7.417 -4.308 1.00 24.73 O ATOM 291 CB SER A 36 7.499 -5.962 -6.537 1.00 28.24 C ATOM 292 OG SER A 36 8.646 -5.182 -6.226 1.00 33.61 O ATOM 293 N VAL A 37 7.206 -7.335 -3.674 1.00 24.77 N ATOM 294 CA VAL A 37 7.515 -7.299 -2.252 1.00 23.92 C ATOM 295 C VAL A 37 8.009 -8.647 -1.736 1.00 26.63 C ATOM 296 O VAL A 37 9.045 -8.717 -1.061 1.00 26.18 O ATOM 297 CB VAL A 37 6.281 -6.858 -1.437 1.00 24.97 C ATOM 298 CG1 VAL A 37 6.576 -6.941 0.054 1.00 24.23 C ATOM 299 CG2 VAL A 37 5.908 -5.430 -1.817 1.00 24.77 C ATOM 300 N VAL A 38 7.278 -9.715 -2.051 1.00 25.42 N ATOM 301 CA VAL A 38 7.681 -11.047 -1.606 1.00 26.59 C ATOM 302 C VAL A 38 9.092 -11.364 -2.091 1.00 27.74 C ATOM 303 O VAL A 38 9.879 -11.983 -1.376 1.00 27.20 O ATOM 304 CB VAL A 38 6.735 -12.154 -2.129 1.00 28.32 C ATOM 305 CG1 VAL A 38 7.320 -13.526 -1.810 1.00 25.64 C ATOM 306 CG2 VAL A 38 5.357 -12.018 -1.484 1.00 25.94 C ATOM 307 N SER A 39 9.408 -10.941 -3.310 1.00 28.87 N ATOM 308 CA SER A 39 10.727 -11.191 -3.866 1.00 29.50 C ATOM 309 C SER A 39 11.793 -10.546 -2.985 1.00 30.13 C ATOM 310 O SER A 39 12.812 -11.161 -2.675 1.00 30.94 O ATOM 311 CB SER A 39 10.817 -10.634 -5.287 1.00 31.22 C ATOM 312 OG SER A 39 12.112 -10.838 -5.824 1.00 34.39 O ATOM 313 N THR A 40 11.544 -9.303 -2.587 1.00 31.36 N ATOM 314 CA THR A 40 12.460 -8.554 -1.736 1.00 32.23 C ATOM 315 C THR A 40 12.585 -9.242 -0.381 1.00 33.45 C ATOM 316 O THR A 40 13.688 -9.547 0.069 1.00 35.00 O ATOM 317 CB THR A 40 11.952 -7.103 -1.522 1.00 32.34 C ATOM 318 OG1 THR A 40 11.798 -6.457 -2.793 1.00 34.10 O ATOM 319 CG2 THR A 40 12.930 -6.311 -0.671 1.00 32.75 C ATOM 320 N LEU A 41 11.448 -9.491 0.260 1.00 32.69 N ATOM 321 CA LEU A 41 11.416 -10.140 1.572 1.00 34.85 C ATOM 322 C LEU A 41 12.153 -11.471 1.592 1.00 37.10 C ATOM 323 O LEU A 41 12.769 -11.834 2.592 1.00 35.75 O ATOM 324 CB LEU A 41 9.972 -10.386 2.003 1.00 31.19 C ATOM 325 CG LEU A 41 9.109 -9.149 2.220 1.00 30.78 C ATOM 326 CD1 LEU A 41 7.686 -9.583 2.528 1.00 28.43 C ATOM 327 CD2 LEU A 41 9.693 -8.328 3.358 1.00 30.56 C ATOM 328 N VAL A 42 12.065 -12.196 0.481 1.00 40.44 N ATOM 329 CA VAL A 42 12.697 -13.504 0.334 1.00 44.41 C ATOM 330 C VAL A 42 14.208 -13.403 0.112 1.00 44.96 C ATOM 331 O VAL A 42 14.944 -14.359 0.354 1.00 45.59 O ATOM 332 CB VAL A 42 12.029 -14.292 -0.839 1.00 44.68 C ATOM 333 CG1 VAL A 42 12.996 -15.280 -1.446 1.00 46.43 C ATOM 334 CG2 VAL A 42 10.793 -15.015 -0.334 1.00 45.53 C ATOM 335 N GLN A 43 14.664 -12.244 -0.349 1.00 47.45 N ATOM 336 CA GLN A 43 16.085 -12.014 -0.596 1.00 48.22 C ATOM 337 C GLN A 43 16.776 -11.625 0.706 1.00 47.39 C ATOM 338 O GLN A 43 18.002 -11.566 0.774 1.00 48.19 O ATOM 339 CB GLN A 43 16.272 -10.877 -1.603 1.00 50.67 C ATOM 340 CG GLN A 43 15.604 -11.090 -2.946 1.00 54.68 C ATOM 341 CD GLN A 43 16.346 -12.080 -3.813 1.00 56.28 C ATOM 342 OE1 GLN A 43 17.489 -11.842 -4.206 1.00 58.63 O ATOM 343 NE2 GLN A 43 15.702 -13.199 -4.117 1.00 56.16 N ATOM 344 N ASP A 44 15.978 -11.342 1.730 1.00 46.76 N ATOM 345 CA ASP A 44 16.494 -10.940 3.033 1.00 46.48 C ATOM 346 C ASP A 44 17.403 -12.028 3.606 1.00 47.67 C ATOM 347 O ASP A 44 16.963 -13.150 3.865 1.00 46.95 O ATOM 348 CB ASP A 44 15.332 -10.678 3.996 1.00 45.47 C ATOM 349 CG ASP A 44 15.750 -9.868 5.208 1.00 44.43 C ATOM 350 OD1 ASP A 44 16.926 -9.961 5.612 1.00 44.66 O ATOM 351 OD2 ASP A 44 14.903 -9.146 5.766 1.00 44.15 O ATOM 352 N GLN A 45 18.672 -11.691 3.807 1.00 49.16 N ATOM 353 CA GLN A 45 19.634 -12.647 4.341 1.00 51.29 C ATOM 354 C GLN A 45 20.107 -12.343 5.758 1.00 50.36 C ATOM 355 O GLN A 45 21.196 -12.762 6.153 1.00 52.19 O ATOM 356 CB GLN A 45 20.846 -12.750 3.410 1.00 53.95 C ATOM 357 CG GLN A 45 20.603 -13.583 2.157 1.00 58.52 C ATOM 358 CD GLN A 45 20.381 -15.060 2.466 1.00 61.43 C ATOM 359 OE1 GLN A 45 21.245 -15.719 3.055 1.00 62.99 O ATOM 360 NE2 GLN A 45 19.224 -15.586 2.067 1.00 60.68 N ATOM 361 N LEU A 46 19.302 -11.617 6.526 1.00 47.72 N ATOM 362 CA LEU A 46 19.688 -11.308 7.890 1.00 46.55 C ATOM 363 C LEU A 46 18.516 -11.334 8.866 1.00 45.65 C ATOM 364 O LEU A 46 18.697 -11.109 10.060 1.00 44.93 O ATOM 365 CB LEU A 46 20.414 -9.962 7.943 1.00 47.08 C ATOM 366 CG LEU A 46 19.719 -8.719 7.407 1.00 46.89 C ATOM 367 CD1 LEU A 46 18.619 -8.287 8.368 1.00 50.19 C ATOM 368 CD2 LEU A 46 20.745 -7.604 7.253 1.00 47.55 C ATOM 369 N THR A 47 17.319 -11.618 8.357 1.00 43.82 N ATOM 370 CA THR A 47 16.123 -11.699 9.199 1.00 42.21 C ATOM 371 C THR A 47 15.792 -13.176 9.418 1.00 41.39 C ATOM 372 O THR A 47 15.886 -13.975 8.484 1.00 42.40 O ATOM 373 CB THR A 47 14.910 -11.008 8.526 1.00 41.42 C ATOM 374 OG1 THR A 47 15.238 -9.648 8.229 1.00 41.23 O ATOM 375 CG2 THR A 47 13.696 -11.030 9.445 1.00 38.77 C ATOM 376 N LYS A 48 15.418 -13.548 10.641 1.00 41.02 N ATOM 377 CA LYS A 48 15.083 -14.947 10.925 1.00 40.71 C ATOM 378 C LYS A 48 13.977 -15.434 9.992 1.00 39.10 C ATOM 379 O LYS A 48 13.022 -14.704 9.715 1.00 36.46 O ATOM 380 CB LYS A 48 14.633 -15.134 12.384 1.00 40.91 C ATOM 381 CG LYS A 48 15.745 -15.008 13.412 1.00 44.40 C ATOM 382 CD LYS A 48 15.259 -15.309 14.832 1.00 46.32 C ATOM 383 CE LYS A 48 14.904 -16.788 15.030 1.00 48.77 C ATOM 384 NZ LYS A 48 16.088 -17.699 14.952 1.00 47.00 N ATOM 385 N ASN A 49 14.116 -16.670 9.516 1.00 37.42 N ATOM 386 CA ASN A 49 13.142 -17.270 8.611 1.00 36.18 C ATOM 387 C ASN A 49 11.721 -17.173 9.140 1.00 36.27 C ATOM 388 O ASN A 49 10.791 -16.927 8.383 1.00 37.10 O ATOM 389 CB ASN A 49 13.478 -18.742 8.348 1.00 36.82 C ATOM 390 CG ASN A 49 14.763 -18.920 7.566 1.00 37.77 C ATOM 391 OD1 ASN A 49 15.200 -18.019 6.851 1.00 39.17 O ATOM 392 ND2 ASN A 49 15.366 -20.096 7.685 1.00 38.55 N ATOM 393 N ALA A 50 11.544 -17.374 10.438 1.00 36.35 N ATOM 394 CA ALA A 50 10.208 -17.285 11.007 1.00 35.70 C ATOM 395 C ALA A 50 9.652 -15.878 10.801 1.00 35.20 C ATOM 396 O ALA A 50 8.497 -15.715 10.427 1.00 35.28 O ATOM 397 CB ALA A 50 10.236 -17.631 12.498 1.00 35.63 C ATOM 398 N VAL A 51 10.482 -14.865 11.037 1.00 35.78 N ATOM 399 CA VAL A 51 10.055 -13.475 10.883 1.00 35.07 C ATOM 400 C VAL A 51 9.738 -13.149 9.428 1.00 34.90 C ATOM 401 O VAL A 51 8.767 -12.449 9.142 1.00 33.32 O ATOM 402 CB VAL A 51 11.137 -12.492 11.406 1.00 35.72 C ATOM 403 CG1 VAL A 51 10.719 -11.046 11.144 1.00 33.17 C ATOM 404 CG2 VAL A 51 11.344 -12.709 12.891 1.00 33.63 C ATOM 405 N VAL A 52 10.558 -13.658 8.512 1.00 34.66 N ATOM 406 CA VAL A 52 10.336 -13.419 7.091 1.00 34.93 C ATOM 407 C VAL A 52 8.957 -13.954 6.696 1.00 35.61 C ATOM 408 O VAL A 52 8.156 -13.230 6.103 1.00 36.58 O ATOM 409 CB VAL A 52 11.413 -14.112 6.229 1.00 35.86 C ATOM 410 CG1 VAL A 52 11.128 -13.881 4.758 1.00 34.33 C ATOM 411 CG2 VAL A 52 12.793 -13.581 6.592 1.00 35.34 C ATOM 412 N LEU A 53 8.672 -15.212 7.035 1.00 35.78 N ATOM 413 CA LEU A 53 7.374 -15.806 6.697 1.00 36.10 C ATOM 414 C LEU A 53 6.218 -15.014 7.287 1.00 33.77 C ATOM 415 O LEU A 53 5.194 -14.821 6.637 1.00 35.08 O ATOM 416 CB LEU A 53 7.288 -17.261 7.184 1.00 38.32 C ATOM 417 CG LEU A 53 7.782 -18.359 6.239 1.00 41.49 C ATOM 418 CD1 LEU A 53 6.857 -18.477 5.034 1.00 42.70 C ATOM 419 CD2 LEU A 53 9.197 -18.038 5.799 1.00 43.22 C ATOM 420 N LYS A 54 6.385 -14.565 8.524 1.00 32.77 N ATOM 421 CA LYS A 54 5.353 -13.792 9.195 1.00 31.25 C ATOM 422 C LYS A 54 5.080 -12.480 8.440 1.00 31.28 C ATOM 423 O LYS A 54 3.949 -11.990 8.408 1.00 30.41 O ATOM 424 CB LYS A 54 5.781 -13.533 10.644 1.00 34.04 C ATOM 425 CG LYS A 54 4.823 -12.684 11.471 1.00 35.80 C ATOM 426 CD LYS A 54 5.084 -11.189 11.279 1.00 41.35 C ATOM 427 CE LYS A 54 6.458 -10.757 11.801 1.00 41.00 C ATOM 428 NZ LYS A 54 6.706 -9.307 11.546 1.00 43.07 N ATOM 429 N ARG A 55 6.111 -11.911 7.826 1.00 30.49 N ATOM 430 CA ARG A 55 5.920 -10.685 7.066 1.00 30.71 C ATOM 431 C ARG A 55 5.117 -11.031 5.813 1.00 29.72 C ATOM 432 O ARG A 55 4.199 -10.305 5.444 1.00 27.55 O ATOM 433 CB ARG A 55 7.267 -10.070 6.682 1.00 29.94 C ATOM 434 CG ARG A 55 8.090 -9.590 7.868 1.00 31.33 C ATOM 435 CD ARG A 55 9.489 -9.187 7.434 1.00 31.31 C ATOM 436 NE ARG A 55 10.233 -8.543 8.513 1.00 33.29 N ATOM 437 CZ ARG A 55 11.434 -7.991 8.363 1.00 33.18 C ATOM 438 NH1 ARG A 55 12.035 -8.003 7.180 1.00 33.49 N ATOM 439 NH2 ARG A 55 12.034 -7.416 9.392 1.00 33.95 N ATOM 440 N ILE A 56 5.456 -12.145 5.170 1.00 28.07 N ATOM 441 CA ILE A 56 4.733 -12.552 3.969 1.00 27.89 C ATOM 442 C ILE A 56 3.281 -12.883 4.313 1.00 27.52 C ATOM 443 O ILE A 56 2.389 -12.610 3.525 1.00 28.75 O ATOM 444 CB ILE A 56 5.430 -13.747 3.273 1.00 26.73 C ATOM 445 CG1 ILE A 56 6.797 -13.290 2.742 1.00 28.35 C ATOM 446 CG2 ILE A 56 4.584 -14.263 2.125 1.00 26.73 C ATOM 447 CD1 ILE A 56 7.685 -14.412 2.199 1.00 27.80 C ATOM 448 N GLN A 57 3.041 -13.442 5.495 1.00 28.81 N ATOM 449 CA GLN A 57 1.677 -13.767 5.915 1.00 29.16 C ATOM 450 C GLN A 57 0.847 -12.508 6.094 1.00 27.59 C ATOM 451 O GLN A 57 -0.336 -12.486 5.752 1.00 29.39 O ATOM 452 CB GLN A 57 1.679 -14.542 7.236 1.00 32.42 C ATOM 453 CG GLN A 57 2.105 -15.991 7.097 1.00 37.32 C ATOM 454 CD GLN A 57 2.100 -16.735 8.417 1.00 39.50 C ATOM 455 OE1 GLN A 57 2.237 -17.960 8.450 1.00 43.11 O ATOM 456 NE2 GLN A 57 1.939 -16.000 9.514 1.00 38.47 N ATOM 457 N HIS A 58 1.453 -11.464 6.656 1.00 26.60 N ATOM 458 CA HIS A 58 0.733 -10.215 6.855 1.00 26.66 C ATOM 459 C HIS A 58 0.389 -9.616 5.507 1.00 25.51 C ATOM 460 O HIS A 58 -0.719 -9.120 5.300 1.00 24.65 O ATOM 461 CB HIS A 58 1.575 -9.243 7.669 1.00 29.89 C ATOM 462 CG HIS A 58 1.698 -9.636 9.107 1.00 32.72 C ATOM 463 ND1 HIS A 58 2.530 -8.986 9.991 1.00 32.61 N ATOM 464 CD2 HIS A 58 1.073 -10.603 9.817 1.00 32.13 C ATOM 465 CE1 HIS A 58 2.410 -9.535 11.188 1.00 35.66 C ATOM 466 NE2 HIS A 58 1.533 -10.519 11.109 1.00 32.99 N ATOM 467 N LEU A 59 1.347 -9.665 4.589 1.00 23.29 N ATOM 468 CA LEU A 59 1.113 -9.155 3.252 1.00 23.41 C ATOM 469 C LEU A 59 -0.050 -9.899 2.602 1.00 25.57 C ATOM 470 O LEU A 59 -0.869 -9.291 1.927 1.00 26.50 O ATOM 471 CB LEU A 59 2.371 -9.323 2.395 1.00 22.77 C ATOM 472 CG LEU A 59 2.108 -9.163 0.897 1.00 24.15 C ATOM 473 CD1 LEU A 59 1.738 -7.718 0.597 1.00 21.37 C ATOM 474 CD2 LEU A 59 3.341 -9.589 0.100 1.00 23.33 C ATOM 475 N ASP A 60 -0.127 -11.215 2.798 1.00 27.98 N ATOM 476 CA ASP A 60 -1.206 -11.971 2.186 1.00 28.59 C ATOM 477 C ASP A 60 -2.555 -11.612 2.798 1.00 30.54 C ATOM 478 O ASP A 60 -3.555 -11.537 2.097 1.00 28.43 O ATOM 479 CB ASP A 60 -0.966 -13.474 2.304 1.00 31.63 C ATOM 480 CG ASP A 60 -1.801 -14.266 1.318 1.00 31.33 C ATOM 481 OD1 ASP A 60 -2.767 -14.943 1.726 1.00 32.96 O ATOM 482 OD2 ASP A 60 -1.490 -14.196 0.116 1.00 31.68 O ATOM 483 N GLU A 61 -2.567 -11.380 4.106 1.00 31.29 N ATOM 484 CA GLU A 61 -3.780 -11.016 4.816 1.00 33.54 C ATOM 485 C GLU A 61 -4.249 -9.632 4.377 1.00 31.95 C ATOM 486 O GLU A 61 -5.447 -9.382 4.258 1.00 33.77 O ATOM 487 CB GLU A 61 -3.521 -11.047 6.329 1.00 37.59 C ATOM 488 CG GLU A 61 -3.138 -12.430 6.859 1.00 41.23 C ATOM 489 CD GLU A 61 -2.622 -12.403 8.294 1.00 45.43 C ATOM 490 OE1 GLU A 61 -2.348 -13.489 8.851 1.00 46.59 O ATOM 491 OE2 GLU A 61 -2.484 -11.301 8.862 1.00 48.04 O ATOM 492 N ALA A 62 -3.305 -8.728 4.143 1.00 31.23 N ATOM 493 CA ALA A 62 -3.649 -7.382 3.696 1.00 28.08 C ATOM 494 C ALA A 62 -4.223 -7.490 2.288 1.00 27.99 C ATOM 495 O ALA A 62 -5.241 -6.886 1.971 1.00 28.76 O ATOM 496 CB ALA A 62 -2.408 -6.488 3.701 1.00 26.51 C ATOM 497 N TYR A 63 -3.563 -8.281 1.450 1.00 28.06 N ATOM 498 CA TYR A 63 -4.016 -8.497 0.084 1.00 26.72 C ATOM 499 C TYR A 63 -5.460 -9.011 0.098 1.00 28.30 C ATOM 500 O TYR A 63 -6.333 -8.428 -0.535 1.00 27.15 O ATOM 501 CB TYR A 63 -3.080 -9.493 -0.612 1.00 26.62 C ATOM 502 CG TYR A 63 -3.503 -9.926 -2.001 1.00 26.50 C ATOM 503 CD1 TYR A 63 -4.566 -10.802 -2.179 1.00 25.78 C ATOM 504 CD2 TYR A 63 -2.838 -9.458 -3.135 1.00 25.55 C ATOM 505 CE1 TYR A 63 -4.966 -11.205 -3.442 1.00 26.73 C ATOM 506 CE2 TYR A 63 -3.228 -9.855 -4.409 1.00 26.54 C ATOM 507 CZ TYR A 63 -4.301 -10.734 -4.551 1.00 26.84 C ATOM 508 OH TYR A 63 -4.709 -11.143 -5.797 1.00 26.11 O ATOM 509 N ASN A 64 -5.721 -10.084 0.835 1.00 30.48 N ATOM 510 CA ASN A 64 -7.073 -10.617 0.883 1.00 31.89 C ATOM 511 C ASN A 64 -8.094 -9.586 1.362 1.00 32.32 C ATOM 512 O ASN A 64 -9.217 -9.554 0.869 1.00 32.21 O ATOM 513 CB ASN A 64 -7.124 -11.885 1.749 1.00 33.44 C ATOM 514 CG ASN A 64 -6.331 -13.034 1.141 1.00 35.24 C ATOM 515 OD1 ASN A 64 -6.283 -13.187 -0.079 1.00 34.16 O ATOM 516 ND2 ASN A 64 -5.722 -13.858 1.992 1.00 33.48 N ATOM 517 N LYS A 65 -7.707 -8.731 2.303 1.00 33.76 N ATOM 518 CA LYS A 65 -8.626 -7.710 2.807 1.00 34.61 C ATOM 519 C LYS A 65 -8.924 -6.640 1.765 1.00 34.27 C ATOM 520 O LYS A 65 -10.082 -6.302 1.527 1.00 33.85 O ATOM 521 CB LYS A 65 -8.063 -7.051 4.066 1.00 36.32 C ATOM 522 CG LYS A 65 -8.122 -7.934 5.295 1.00 41.85 C ATOM 523 CD LYS A 65 -7.639 -7.184 6.524 1.00 44.54 C ATOM 524 CE LYS A 65 -7.930 -7.973 7.785 1.00 46.36 C ATOM 525 NZ LYS A 65 -7.322 -9.328 7.723 1.00 50.03 N ATOM 526 N VAL A 66 -7.877 -6.111 1.139 1.00 34.33 N ATOM 527 CA VAL A 66 -8.040 -5.074 0.123 1.00 34.23 C ATOM 528 C VAL A 66 -8.808 -5.583 -1.104 1.00 34.46 C ATOM 529 O VAL A 66 -9.501 -4.813 -1.770 1.00 34.17 O ATOM 530 CB VAL A 66 -6.662 -4.526 -0.346 1.00 33.74 C ATOM 531 CG1 VAL A 66 -6.852 -3.464 -1.417 1.00 34.79 C ATOM 532 CG2 VAL A 66 -5.903 -3.945 0.831 1.00 32.90 C ATOM 533 N LYS A 67 -8.688 -6.877 -1.393 1.00 34.70 N ATOM 534 CA LYS A 67 -9.359 -7.475 -2.547 1.00 36.88 C ATOM 535 C LYS A 67 -10.851 -7.689 -2.337 1.00 39.96 C ATOM 536 O LYS A 67 -11.654 -7.408 -3.229 1.00 39.20 O ATOM 537 CB LYS A 67 -8.700 -8.813 -2.919 1.00 36.43 C ATOM 538 CG LYS A 67 -9.279 -9.490 -4.165 1.00 34.11 C ATOM 539 CD LYS A 67 -8.351 -10.604 -4.654 1.00 35.10 C ATOM 540 CE LYS A 67 -8.779 -11.192 -5.998 1.00 35.88 C ATOM 541 NZ LYS A 67 -10.129 -11.834 -5.982 1.00 34.99 N ATOM 542 N ARG A 68 -11.232 -8.200 -1.172 1.00 43.75 N ATOM 543 CA ARG A 68 -12.647 -8.422 -0.910 1.00 49.13 C ATOM 544 C ARG A 68 -13.311 -7.123 -0.465 1.00 51.48 C ATOM 545 O ARG A 68 -14.528 -6.975 -0.560 1.00 52.62 O ATOM 546 CB ARG A 68 -12.848 -9.508 0.151 1.00 49.92 C ATOM 547 CG ARG A 68 -12.192 -9.238 1.490 1.00 53.90 C ATOM 548 CD ARG A 68 -12.695 -10.227 2.538 1.00 55.45 C ATOM 549 NE ARG A 68 -11.945 -10.166 3.793 1.00 57.01 N ATOM 550 CZ ARG A 68 -10.759 -10.739 3.990 1.00 57.73 C ATOM 551 NH1 ARG A 68 -10.153 -10.629 5.167 1.00 57.78 N ATOM 552 NH2 ARG A 68 -10.180 -11.430 3.016 1.00 57.99 N ATOM 553 N GLY A 69 -12.502 -6.177 -0.001 1.00 53.58 N ATOM 554 CA GLY A 69 -13.033 -4.901 0.447 1.00 55.22 C ATOM 555 C GLY A 69 -13.215 -3.904 -0.682 1.00 57.08 C ATOM 556 O GLY A 69 -13.020 -4.290 -1.856 1.00 57.36 O TER 558 GLY A 69 ATOM 558 N SER B 2 10.727 -31.401 -12.015 1.00 49.38 N ATOM 559 CA SER B 2 10.722 -32.844 -11.615 1.00 49.67 C ATOM 560 C SER B 2 10.533 -32.975 -10.108 1.00 47.35 C ATOM 561 O SER B 2 9.516 -33.494 -9.640 1.00 47.32 O ATOM 562 CB SER B 2 12.036 -33.520 -12.025 1.00 52.41 C ATOM 563 OG SER B 2 12.177 -33.553 -13.435 1.00 56.55 O ATOM 564 N GLU B 3 11.518 -32.509 -9.349 1.00 42.82 N ATOM 565 CA GLU B 3 11.429 -32.577 -7.899 1.00 39.96 C ATOM 566 C GLU B 3 10.283 -31.683 -7.410 1.00 37.72 C ATOM 567 O GLU B 3 10.136 -30.546 -7.854 1.00 35.00 O ATOM 568 CB GLU B 3 12.754 -32.144 -7.281 1.00 41.14 C ATOM 569 CG GLU B 3 12.759 -32.145 -5.770 1.00 43.78 C ATOM 570 CD GLU B 3 14.157 -32.042 -5.207 1.00 47.21 C ATOM 571 OE1 GLU B 3 14.926 -33.018 -5.354 1.00 49.40 O ATOM 572 OE2 GLU B 3 14.491 -30.987 -4.627 1.00 46.47 O ATOM 573 N LEU B 4 9.467 -32.203 -6.500 1.00 35.19 N ATOM 574 CA LEU B 4 8.331 -31.448 -5.978 1.00 33.81 C ATOM 575 C LEU B 4 8.684 -30.079 -5.396 1.00 33.11 C ATOM 576 O LEU B 4 9.561 -29.968 -4.536 1.00 31.78 O ATOM 577 CB LEU B 4 7.594 -32.277 -4.916 1.00 32.82 C ATOM 578 CG LEU B 4 6.774 -33.480 -5.408 1.00 33.65 C ATOM 579 CD1 LEU B 4 6.453 -34.393 -4.236 1.00 33.52 C ATOM 580 CD2 LEU B 4 5.494 -32.999 -6.086 1.00 33.66 C ATOM 581 N PHE B 5 7.999 -29.046 -5.887 1.00 31.36 N ATOM 582 CA PHE B 5 8.170 -27.676 -5.415 1.00 31.91 C ATOM 583 C PHE B 5 9.554 -27.073 -5.638 1.00 30.66 C ATOM 584 O PHE B 5 9.981 -26.206 -4.891 1.00 30.58 O ATOM 585 CB PHE B 5 7.810 -27.613 -3.927 1.00 31.53 C ATOM 586 CG PHE B 5 6.504 -28.284 -3.592 1.00 30.81 C ATOM 587 CD1 PHE B 5 5.317 -27.863 -4.188 1.00 30.83 C ATOM 588 CD2 PHE B 5 6.461 -29.333 -2.675 1.00 32.51 C ATOM 589 CE1 PHE B 5 4.101 -28.471 -3.868 1.00 32.18 C ATOM 590 CE2 PHE B 5 5.257 -29.950 -2.344 1.00 30.11 C ATOM 591 CZ PHE B 5 4.074 -29.523 -2.942 1.00 33.20 C ATOM 592 N SER B 6 10.235 -27.527 -6.682 1.00 30.86 N ATOM 593 CA SER B 6 11.570 -27.048 -7.016 1.00 28.61 C ATOM 594 C SER B 6 11.507 -25.977 -8.105 1.00 29.12 C ATOM 595 O SER B 6 10.440 -25.710 -8.658 1.00 25.25 O ATOM 596 CB SER B 6 12.409 -28.220 -7.508 1.00 28.07 C ATOM 597 OG SER B 6 11.840 -28.755 -8.671 1.00 27.08 O ATOM 598 N VAL B 7 12.656 -25.382 -8.420 1.00 28.66 N ATOM 599 CA VAL B 7 12.728 -24.361 -9.465 1.00 31.81 C ATOM 600 C VAL B 7 12.161 -24.889 -10.788 1.00 32.31 C ATOM 601 O VAL B 7 11.235 -24.297 -11.349 1.00 33.73 O ATOM 602 CB VAL B 7 14.190 -23.865 -9.675 1.00 29.44 C ATOM 603 CG1 VAL B 7 14.267 -22.914 -10.866 1.00 30.80 C ATOM 604 CG2 VAL B 7 14.679 -23.154 -8.415 1.00 31.45 C ATOM 605 N PRO B 8 12.697 -26.013 -11.306 1.00 33.30 N ATOM 606 CA PRO B 8 12.148 -26.520 -12.571 1.00 32.41 C ATOM 607 C PRO B 8 10.661 -26.873 -12.468 1.00 31.88 C ATOM 608 O PRO B 8 9.921 -26.808 -13.450 1.00 31.91 O ATOM 609 CB PRO B 8 13.026 -27.733 -12.869 1.00 33.23 C ATOM 610 CG PRO B 8 13.497 -28.168 -11.505 1.00 36.63 C ATOM 611 CD PRO B 8 13.811 -26.857 -10.840 1.00 33.10 C ATOM 612 N TYR B 9 10.229 -27.248 -11.273 1.00 29.91 N ATOM 613 CA TYR B 9 8.831 -27.586 -11.036 1.00 28.80 C ATOM 614 C TYR B 9 7.975 -26.334 -11.281 1.00 28.65 C ATOM 615 O TYR B 9 6.987 -26.382 -12.016 1.00 29.95 O ATOM 616 CB TYR B 9 8.670 -28.060 -9.597 1.00 29.83 C ATOM 617 CG TYR B 9 7.250 -28.289 -9.149 1.00 29.72 C ATOM 618 CD1 TYR B 9 6.652 -29.541 -9.278 1.00 30.89 C ATOM 619 CD2 TYR B 9 6.529 -27.271 -8.522 1.00 29.17 C ATOM 620 CE1 TYR B 9 5.378 -29.779 -8.779 1.00 31.69 C ATOM 621 CE2 TYR B 9 5.249 -27.494 -8.023 1.00 31.54 C ATOM 622 CZ TYR B 9 4.682 -28.753 -8.148 1.00 32.70 C ATOM 623 OH TYR B 9 3.446 -28.990 -7.594 1.00 32.37 O ATOM 624 N PHE B 10 8.363 -25.222 -10.660 1.00 27.87 N ATOM 625 CA PHE B 10 7.647 -23.959 -10.818 1.00 29.52 C ATOM 626 C PHE B 10 7.866 -23.331 -12.192 1.00 31.39 C ATOM 627 O PHE B 10 6.998 -22.619 -12.701 1.00 31.72 O ATOM 628 CB PHE B 10 8.029 -22.979 -9.706 1.00 27.78 C ATOM 629 CG PHE B 10 7.405 -23.310 -8.378 1.00 25.12 C ATOM 630 CD1 PHE B 10 8.193 -23.568 -7.268 1.00 24.38 C ATOM 631 CD2 PHE B 10 6.020 -23.399 -8.250 1.00 25.52 C ATOM 632 CE1 PHE B 10 7.612 -23.919 -6.038 1.00 21.47 C ATOM 633 CE2 PHE B 10 5.431 -23.747 -7.024 1.00 22.62 C ATOM 634 CZ PHE B 10 6.239 -24.008 -5.920 1.00 21.93 C ATOM 635 N ILE B 11 9.018 -23.587 -12.802 1.00 31.78 N ATOM 636 CA ILE B 11 9.252 -23.053 -14.135 1.00 30.10 C ATOM 637 C ILE B 11 8.242 -23.718 -15.054 1.00 30.49 C ATOM 638 O ILE B 11 7.608 -23.056 -15.879 1.00 30.05 O ATOM 639 CB ILE B 11 10.668 -23.370 -14.647 1.00 30.33 C ATOM 640 CG1 ILE B 11 11.676 -22.432 -13.974 1.00 31.26 C ATOM 641 CG2 ILE B 11 10.717 -23.238 -16.182 1.00 29.33 C ATOM 642 CD1 ILE B 11 13.126 -22.706 -14.355 1.00 31.27 C ATOM 643 N GLU B 12 8.090 -25.032 -14.908 1.00 31.42 N ATOM 644 CA GLU B 12 7.145 -25.770 -15.738 1.00 34.04 C ATOM 645 C GLU B 12 5.721 -25.265 -15.555 1.00 32.35 C ATOM 646 O GLU B 12 5.019 -25.017 -16.526 1.00 31.65 O ATOM 647 CB GLU B 12 7.172 -27.268 -15.416 1.00 39.55 C ATOM 648 CG GLU B 12 6.180 -28.071 -16.267 1.00 46.04 C ATOM 649 CD GLU B 12 5.769 -29.392 -15.638 1.00 52.35 C ATOM 650 OE1 GLU B 12 5.241 -29.376 -14.500 1.00 54.53 O ATOM 651 OE2 GLU B 12 5.960 -30.448 -16.286 1.00 54.97 O ATOM 652 N ASN B 13 5.293 -25.126 -14.305 1.00 32.59 N ATOM 653 CA ASN B 13 3.935 -24.666 -14.013 1.00 33.67 C ATOM 654 C ASN B 13 3.671 -23.246 -14.502 1.00 32.36 C ATOM 655 O ASN B 13 2.588 -22.955 -15.019 1.00 29.39 O ATOM 656 CB ASN B 13 3.637 -24.757 -12.509 1.00 34.80 C ATOM 657 CG ASN B 13 3.532 -26.191 -12.024 1.00 37.47 C ATOM 658 OD1 ASN B 13 3.049 -27.064 -12.743 1.00 40.91 O ATOM 659 ND2 ASN B 13 3.961 -26.435 -10.793 1.00 39.32 N ATOM 660 N LEU B 14 4.652 -22.366 -14.328 1.00 30.48 N ATOM 661 CA LEU B 14 4.522 -20.979 -14.774 1.00 33.51 C ATOM 662 C LEU B 14 4.360 -20.932 -16.290 1.00 33.43 C ATOM 663 O LEU B 14 3.537 -20.182 -16.812 1.00 34.86 O ATOM 664 CB LEU B 14 5.744 -20.154 -14.345 1.00 32.25 C ATOM 665 CG LEU B 14 5.686 -19.556 -12.931 1.00 34.40 C ATOM 666 CD1 LEU B 14 7.038 -18.953 -12.538 1.00 33.45 C ATOM 667 CD2 LEU B 14 4.605 -18.486 -12.890 1.00 34.35 C ATOM 668 N LYS B 15 5.136 -21.747 -16.994 1.00 34.46 N ATOM 669 CA LYS B 15 5.051 -21.796 -18.447 1.00 36.09 C ATOM 670 C LYS B 15 3.692 -22.326 -18.903 1.00 36.47 C ATOM 671 O LYS B 15 3.101 -21.797 -19.836 1.00 36.72 O ATOM 672 CB LYS B 15 6.159 -22.683 -19.017 1.00 37.63 C ATOM 673 CG LYS B 15 7.530 -22.028 -19.075 1.00 38.15 C ATOM 674 CD LYS B 15 8.566 -23.012 -19.604 1.00 41.71 C ATOM 675 CE LYS B 15 9.702 -22.298 -20.316 1.00 42.97 C ATOM 676 NZ LYS B 15 9.201 -21.564 -21.525 1.00 45.80 N ATOM 677 N GLN B 16 3.192 -23.365 -18.246 1.00 35.08 N ATOM 678 CA GLN B 16 1.907 -23.919 -18.636 1.00 34.33 C ATOM 679 C GLN B 16 0.759 -22.980 -18.318 1.00 33.42 C ATOM 680 O GLN B 16 -0.198 -22.878 -19.082 1.00 33.37 O ATOM 681 CB GLN B 16 1.697 -25.272 -17.968 1.00 34.87 C ATOM 682 CG GLN B 16 2.551 -26.352 -18.598 1.00 33.72 C ATOM 683 CD GLN B 16 2.770 -27.536 -17.690 1.00 33.16 C ATOM 684 OE1 GLN B 16 3.184 -28.602 -18.140 1.00 36.74 O ATOM 685 NE2 GLN B 16 2.511 -27.356 -16.401 1.00 30.24 N ATOM 686 N HIS B 17 0.854 -22.291 -17.192 1.00 31.75 N ATOM 687 CA HIS B 17 -0.184 -21.357 -16.801 1.00 31.04 C ATOM 688 C HIS B 17 -0.267 -20.243 -17.842 1.00 30.19 C ATOM 689 O HIS B 17 -1.352 -19.791 -18.186 1.00 27.51 O ATOM 690 CB HIS B 17 0.125 -20.788 -15.418 1.00 30.37 C ATOM 691 CG HIS B 17 -1.001 -20.007 -14.827 1.00 30.84 C ATOM 692 ND1 HIS B 17 -1.044 -18.629 -14.850 1.00 31.36 N ATOM 693 CD2 HIS B 17 -2.134 -20.408 -14.204 1.00 29.70 C ATOM 694 CE1 HIS B 17 -2.152 -18.216 -14.264 1.00 27.83 C ATOM 695 NE2 HIS B 17 -2.833 -19.276 -13.863 1.00 27.56 N ATOM 696 N ILE B 18 0.884 -19.815 -18.352 1.00 30.15 N ATOM 697 CA ILE B 18 0.923 -18.772 -19.373 1.00 32.03 C ATOM 698 C ILE B 18 0.260 -19.267 -20.651 1.00 33.84 C ATOM 699 O ILE B 18 -0.516 -18.546 -21.281 1.00 34.33 O ATOM 700 CB ILE B 18 2.365 -18.358 -19.702 1.00 30.97 C ATOM 701 CG1 ILE B 18 2.954 -17.593 -18.523 1.00 31.07 C ATOM 702 CG2 ILE B 18 2.391 -17.507 -20.973 1.00 28.59 C ATOM 703 CD1 ILE B 18 4.439 -17.300 -18.679 1.00 33.44 C ATOM 704 N GLU B 19 0.565 -20.505 -21.023 1.00 36.36 N ATOM 705 CA GLU B 19 -0.004 -21.104 -22.222 1.00 38.17 C ATOM 706 C GLU B 19 -1.503 -21.337 -22.116 1.00 37.88 C ATOM 707 O GLU B 19 -2.202 -21.327 -23.121 1.00 38.30 O ATOM 708 CB GLU B 19 0.689 -22.433 -22.533 1.00 42.00 C ATOM 709 CG GLU B 19 2.010 -22.305 -23.284 1.00 48.49 C ATOM 710 CD GLU B 19 1.846 -21.639 -24.642 1.00 53.18 C ATOM 711 OE1 GLU B 19 1.850 -20.388 -24.700 1.00 55.16 O ATOM 712 OE2 GLU B 19 1.695 -22.371 -25.648 1.00 55.50 O HETATM 713 N MSE B 20 -1.996 -21.552 -20.904 1.00 38.24 N HETATM 714 CA MSE B 20 -3.419 -21.805 -20.703 1.00 41.53 C HETATM 715 C MSE B 20 -4.263 -20.541 -20.575 1.00 39.66 C HETATM 716 O MSE B 20 -5.492 -20.619 -20.522 1.00 39.78 O HETATM 717 CB MSE B 20 -3.631 -22.653 -19.453 1.00 48.53 C HETATM 718 CG MSE B 20 -2.956 -24.007 -19.479 1.00 59.83 C HETATM 719 SE MSE B 20 -3.061 -24.834 -17.735 1.00 74.85 HETATM 720 CE MSE B 20 -4.803 -25.671 -17.917 1.00 68.68 C ATOM 721 N ASN B 21 -3.617 -19.382 -20.501 1.00 36.92 N ATOM 722 CA ASN B 21 -4.345 -18.126 -20.375 1.00 34.79 C ATOM 723 C ASN B 21 -3.952 -17.140 -21.464 1.00 33.76 C ATOM 724 O ASN B 21 -3.320 -16.123 -21.197 1.00 31.46 O ATOM 725 CB ASN B 21 -4.099 -17.519 -18.991 1.00 36.24 C ATOM 726 CG ASN B 21 -4.562 -18.431 -17.876 1.00 38.73 C ATOM 727 OD1 ASN B 21 -3.921 -19.442 -17.580 1.00 37.53 O ATOM 728 ND2 ASN B 21 -5.698 -18.094 -17.265 1.00 39.23 N ATOM 729 N GLN B 22 -4.351 -17.457 -22.690 1.00 32.03 N ATOM 730 CA GLN B 22 -4.055 -16.647 -23.855 1.00 33.63 C ATOM 731 C GLN B 22 -4.852 -15.351 -23.929 1.00 32.55 C ATOM 732 O GLN B 22 -4.699 -14.582 -24.873 1.00 34.27 O ATOM 733 CB GLN B 22 -4.299 -17.474 -25.118 1.00 38.19 C ATOM 734 CG GLN B 22 -3.324 -18.628 -25.284 1.00 42.66 C ATOM 735 CD GLN B 22 -1.911 -18.142 -25.568 1.00 45.86 C ATOM 736 OE1 GLN B 22 -1.658 -17.499 -26.590 1.00 47.24 O ATOM 737 NE2 GLN B 22 -0.985 -18.441 -24.663 1.00 45.92 N ATOM 738 N SER B 23 -5.714 -15.107 -22.952 1.00 29.27 N ATOM 739 CA SER B 23 -6.492 -13.878 -22.960 1.00 28.99 C ATOM 740 C SER B 23 -6.102 -12.999 -21.783 1.00 28.00 C ATOM 741 O SER B 23 -6.923 -12.286 -21.215 1.00 26.22 O ATOM 742 CB SER B 23 -7.985 -14.200 -22.931 1.00 27.39 C ATOM 743 OG SER B 23 -8.364 -14.815 -24.151 1.00 27.20 O ATOM 744 N GLU B 24 -4.825 -13.078 -21.425 1.00 27.04 N ATOM 745 CA GLU B 24 -4.263 -12.300 -20.335 1.00 30.15 C ATOM 746 C GLU B 24 -2.814 -12.026 -20.711 1.00 29.21 C ATOM 747 O GLU B 24 -2.223 -12.776 -21.486 1.00 31.47 O ATOM 748 CB GLU B 24 -4.336 -13.096 -19.029 1.00 29.58 C ATOM 749 CG GLU B 24 -3.611 -12.443 -17.872 1.00 36.43 C ATOM 750 CD GLU B 24 -4.215 -11.111 -17.453 1.00 37.83 C ATOM 751 OE1 GLU B 24 -4.696 -11.020 -16.300 1.00 38.67 O ATOM 752 OE2 GLU B 24 -4.197 -10.164 -18.270 1.00 37.02 O ATOM 753 N ASP B 25 -2.252 -10.944 -20.193 1.00 30.59 N ATOM 754 CA ASP B 25 -0.865 -10.619 -20.493 1.00 32.42 C ATOM 755 C ASP B 25 0.030 -11.623 -19.783 1.00 31.99 C ATOM 756 O ASP B 25 -0.227 -11.997 -18.632 1.00 28.84 O ATOM 757 CB ASP B 25 -0.531 -9.202 -20.034 1.00 35.30 C ATOM 758 CG ASP B 25 -1.271 -8.148 -20.828 1.00 40.91 C ATOM 759 OD1 ASP B 25 -1.471 -8.351 -22.050 1.00 42.74 O ATOM 760 OD2 ASP B 25 -1.639 -7.106 -20.243 1.00 43.74 O ATOM 761 N LYS B 26 1.079 -12.067 -20.468 1.00 32.28 N ATOM 762 CA LYS B 26 1.986 -13.044 -19.879 1.00 33.82 C ATOM 763 C LYS B 26 2.464 -12.644 -18.486 1.00 32.37 C ATOM 764 O LYS B 26 2.376 -13.434 -17.546 1.00 31.18 O ATOM 765 CB LYS B 26 3.189 -13.289 -20.798 1.00 38.84 C ATOM 766 CG LYS B 26 2.848 -14.130 -22.033 1.00 44.71 C ATOM 767 CD LYS B 26 4.083 -14.725 -22.711 1.00 46.65 C ATOM 768 CE LYS B 26 4.973 -13.660 -23.337 1.00 48.32 C ATOM 769 NZ LYS B 26 6.202 -14.269 -23.932 1.00 52.55 N ATOM 770 N ILE B 27 2.945 -11.417 -18.340 1.00 30.85 N ATOM 771 CA ILE B 27 3.436 -10.983 -17.045 1.00 30.98 C ATOM 772 C ILE B 27 2.336 -11.005 -15.970 1.00 29.91 C ATOM 773 O ILE B 27 2.589 -11.400 -14.830 1.00 27.59 O ATOM 774 CB ILE B 27 4.098 -9.588 -17.158 1.00 33.21 C ATOM 775 CG1 ILE B 27 5.092 -9.390 -16.010 1.00 36.60 C ATOM 776 CG2 ILE B 27 3.044 -8.497 -17.164 1.00 36.38 C ATOM 777 CD1 ILE B 27 4.459 -9.269 -14.648 1.00 39.23 C ATOM 778 N HIS B 28 1.116 -10.607 -16.331 1.00 28.39 N ATOM 779 CA HIS B 28 0.007 -10.607 -15.377 1.00 26.65 C ATOM 780 C HIS B 28 -0.426 -12.015 -14.994 1.00 24.98 C ATOM 781 O HIS B 28 -0.848 -12.257 -13.863 1.00 26.31 O ATOM 782 CB HIS B 28 -1.209 -9.845 -15.927 1.00 26.64 C ATOM 783 CG HIS B 28 -1.018 -8.360 -15.987 1.00 29.34 C ATOM 784 ND1 HIS B 28 -0.407 -7.647 -14.976 1.00 29.71 N ATOM 785 CD2 HIS B 28 -1.379 -7.451 -16.922 1.00 29.04 C ATOM 786 CE1 HIS B 28 -0.401 -6.364 -15.287 1.00 29.35 C ATOM 787 NE2 HIS B 28 -0.986 -6.217 -16.463 1.00 29.99 N ATOM 788 N ALA B 29 -0.343 -12.940 -15.938 1.00 24.23 N ATOM 789 CA ALA B 29 -0.731 -14.328 -15.671 1.00 24.51 C ATOM 790 C ALA B 29 0.261 -14.917 -14.671 1.00 24.62 C ATOM 791 O ALA B 29 -0.118 -15.658 -13.764 1.00 27.50 O ATOM 792 CB ALA B 29 -0.727 -15.140 -16.966 1.00 24.72 C HETATM 793 N MSE B 30 1.534 -14.566 -14.834 1.00 25.77 N HETATM 794 CA MSE B 30 2.582 -15.034 -13.937 1.00 27.36 C HETATM 795 C MSE B 30 2.358 -14.518 -12.512 1.00 26.94 C HETATM 796 O MSE B 30 2.465 -15.276 -11.547 1.00 26.35 O HETATM 797 CB MSE B 30 3.954 -14.560 -14.435 1.00 31.33 C HETATM 798 CG MSE B 30 4.393 -15.156 -15.764 1.00 37.24 C HETATM 799 SE MSE B 30 6.060 -14.398 -16.401 1.00 47.47 HETATM 800 CE MSE B 30 7.265 -15.271 -15.163 1.00 44.54 C ATOM 801 N ASN B 31 2.049 -13.230 -12.387 1.00 24.05 N ATOM 802 CA ASN B 31 1.821 -12.610 -11.078 1.00 25.85 C ATOM 803 C ASN B 31 0.604 -13.199 -10.350 1.00 26.27 C ATOM 804 O ASN B 31 0.593 -13.286 -9.120 1.00 26.01 O ATOM 805 CB ASN B 31 1.638 -11.090 -11.221 1.00 23.17 C ATOM 806 CG ASN B 31 2.894 -10.387 -11.706 1.00 25.61 C ATOM 807 OD1 ASN B 31 3.992 -10.943 -11.660 1.00 27.23 O ATOM 808 ND2 ASN B 31 2.739 -9.147 -12.156 1.00 24.83 N ATOM 809 N SER B 32 -0.422 -13.574 -11.112 1.00 28.49 N ATOM 810 CA SER B 32 -1.634 -14.179 -10.549 1.00 29.20 C ATOM 811 C SER B 32 -1.279 -15.544 -9.964 1.00 27.06 C ATOM 812 O SER B 32 -1.639 -15.866 -8.826 1.00 27.13 O ATOM 813 CB SER B 32 -2.703 -14.368 -11.633 1.00 27.78 C ATOM 814 OG SER B 32 -3.268 -13.133 -12.014 1.00 39.55 O ATOM 815 N TYR B 33 -0.581 -16.345 -10.761 1.00 25.15 N ATOM 816 CA TYR B 33 -0.152 -17.678 -10.336 1.00 26.06 C ATOM 817 C TYR B 33 0.763 -17.556 -9.113 1.00 26.07 C ATOM 818 O TYR B 33 0.666 -18.336 -8.163 1.00 26.99 O ATOM 819 CB TYR B 33 0.591 -18.390 -11.482 1.00 28.18 C ATOM 820 CG TYR B 33 1.096 -19.780 -11.124 1.00 28.24 C ATOM 821 CD1 TYR B 33 2.417 -19.987 -10.736 1.00 29.36 C ATOM 822 CD2 TYR B 33 0.229 -20.869 -11.094 1.00 28.00 C ATOM 823 CE1 TYR B 33 2.858 -21.236 -10.321 1.00 30.97 C ATOM 824 CE2 TYR B 33 0.663 -22.125 -10.678 1.00 28.01 C ATOM 825 CZ TYR B 33 1.972 -22.301 -10.290 1.00 31.05 C ATOM 826 OH TYR B 33 2.385 -23.535 -9.843 1.00 30.93 O ATOM 827 N TYR B 34 1.636 -16.555 -9.141 1.00 24.61 N ATOM 828 CA TYR B 34 2.574 -16.303 -8.059 1.00 24.78 C ATOM 829 C TYR B 34 1.867 -15.963 -6.747 1.00 24.44 C ATOM 830 O TYR B 34 2.200 -16.516 -5.701 1.00 24.54 O ATOM 831 CB TYR B 34 3.501 -15.159 -8.468 1.00 24.35 C ATOM 832 CG TYR B 34 4.695 -14.915 -7.577 1.00 27.53 C ATOM 833 CD1 TYR B 34 5.989 -15.194 -8.021 1.00 24.58 C ATOM 834 CD2 TYR B 34 4.543 -14.320 -6.321 1.00 23.40 C ATOM 835 CE1 TYR B 34 7.098 -14.871 -7.246 1.00 24.20 C ATOM 836 CE2 TYR B 34 5.636 -13.998 -5.547 1.00 23.72 C ATOM 837 CZ TYR B 34 6.916 -14.270 -6.015 1.00 26.23 C ATOM 838 OH TYR B 34 8.004 -13.876 -5.267 1.00 25.92 O ATOM 839 N ARG B 35 0.904 -15.047 -6.804 1.00 23.21 N ATOM 840 CA ARG B 35 0.171 -14.638 -5.610 1.00 24.18 C ATOM 841 C ARG B 35 -0.550 -15.856 -5.020 1.00 24.69 C ATOM 842 O ARG B 35 -0.458 -16.112 -3.819 1.00 26.47 O ATOM 843 CB ARG B 35 -0.842 -13.537 -5.961 1.00 21.36 C ATOM 844 CG ARG B 35 -1.155 -12.555 -4.820 1.00 20.35 C ATOM 845 CD ARG B 35 -1.861 -13.228 -3.635 1.00 19.60 C ATOM 846 NE ARG B 35 -3.112 -13.864 -4.053 1.00 20.23 N ATOM 847 CZ ARG B 35 -3.995 -14.384 -3.207 1.00 23.32 C ATOM 848 NH1 ARG B 35 -5.113 -14.947 -3.661 1.00 26.59 N ATOM 849 NH2 ARG B 35 -3.753 -14.337 -1.900 1.00 22.92 N ATOM 850 N SER B 36 -1.245 -16.617 -5.862 1.00 25.19 N ATOM 851 CA SER B 36 -1.975 -17.799 -5.384 1.00 25.63 C ATOM 852 C SER B 36 -1.088 -18.881 -4.758 1.00 25.28 C ATOM 853 O SER B 36 -1.478 -19.519 -3.782 1.00 23.15 O ATOM 854 CB SER B 36 -2.800 -18.418 -6.515 1.00 23.60 C ATOM 855 OG SER B 36 -3.773 -17.503 -7.000 1.00 28.60 O ATOM 856 N VAL B 37 0.098 -19.097 -5.317 1.00 23.50 N ATOM 857 CA VAL B 37 1.001 -20.108 -4.769 1.00 25.32 C ATOM 858 C VAL B 37 1.579 -19.671 -3.422 1.00 26.38 C ATOM 859 O VAL B 37 1.624 -20.454 -2.475 1.00 26.38 O ATOM 860 CB VAL B 37 2.171 -20.409 -5.734 1.00 24.48 C ATOM 861 CG1 VAL B 37 3.202 -21.293 -5.048 1.00 24.89 C ATOM 862 CG2 VAL B 37 1.642 -21.115 -6.978 1.00 26.38 C ATOM 863 N VAL B 38 2.029 -18.425 -3.347 1.00 27.24 N ATOM 864 CA VAL B 38 2.601 -17.900 -2.120 1.00 29.23 C ATOM 865 C VAL B 38 1.557 -17.956 -1.010 1.00 28.71 C ATOM 866 O VAL B 38 1.849 -18.390 0.100 1.00 29.50 O ATOM 867 CB VAL B 38 3.096 -16.440 -2.326 1.00 29.15 C ATOM 868 CG1 VAL B 38 3.374 -15.781 -0.980 1.00 28.47 C ATOM 869 CG2 VAL B 38 4.374 -16.441 -3.168 1.00 25.72 C ATOM 870 N SER B 39 0.340 -17.530 -1.326 1.00 29.98 N ATOM 871 CA SER B 39 -0.758 -17.524 -0.360 1.00 29.84 C ATOM 872 C SER B 39 -0.992 -18.909 0.255 1.00 30.86 C ATOM 873 O SER B 39 -1.195 -19.036 1.468 1.00 30.25 O ATOM 874 CB SER B 39 -2.033 -17.033 -1.035 1.00 29.08 C ATOM 875 OG SER B 39 -3.123 -17.027 -0.130 1.00 34.66 O ATOM 876 N THR B 40 -0.961 -19.940 -0.583 1.00 31.04 N ATOM 877 CA THR B 40 -1.149 -21.317 -0.128 1.00 33.08 C ATOM 878 C THR B 40 0.019 -21.787 0.737 1.00 32.60 C ATOM 879 O THR B 40 -0.183 -22.382 1.789 1.00 32.73 O ATOM 880 CB THR B 40 -1.298 -22.282 -1.327 1.00 31.48 C ATOM 881 OG1 THR B 40 -2.488 -21.955 -2.052 1.00 32.99 O ATOM 882 CG2 THR B 40 -1.390 -23.731 -0.849 1.00 31.18 C ATOM 883 N LEU B 41 1.238 -21.511 0.285 1.00 32.25 N ATOM 884 CA LEU B 41 2.436 -21.903 1.012 1.00 33.40 C ATOM 885 C LEU B 41 2.544 -21.250 2.387 1.00 35.83 C ATOM 886 O LEU B 41 2.921 -21.900 3.361 1.00 34.70 O ATOM 887 CB LEU B 41 3.688 -21.551 0.202 1.00 33.99 C ATOM 888 CG LEU B 41 3.972 -22.382 -1.046 1.00 29.33 C ATOM 889 CD1 LEU B 41 5.192 -21.828 -1.773 1.00 26.04 C ATOM 890 CD2 LEU B 41 4.209 -23.828 -0.638 1.00 32.03 C ATOM 891 N VAL B 42 2.209 -19.966 2.455 1.00 36.99 N ATOM 892 CA VAL B 42 2.298 -19.206 3.695 1.00 38.56 C ATOM 893 C VAL B 42 1.177 -19.550 4.678 1.00 40.40 C ATOM 894 O VAL B 42 1.274 -19.253 5.866 1.00 40.80 O ATOM 895 CB VAL B 42 2.287 -17.683 3.386 1.00 38.37 C ATOM 896 CG1 VAL B 42 0.891 -17.107 3.568 1.00 35.64 C ATOM 897 CG2 VAL B 42 3.304 -16.973 4.246 1.00 39.74 C ATOM 898 N GLN B 43 0.115 -20.177 4.185 1.00 42.38 N ATOM 899 CA GLN B 43 -0.996 -20.551 5.051 1.00 45.44 C ATOM 900 C GLN B 43 -0.789 -21.957 5.602 1.00 46.69 C ATOM 901 O GLN B 43 -1.599 -22.458 6.378 1.00 45.97 O ATOM 902 CB GLN B 43 -2.322 -20.481 4.286 1.00 46.85 C ATOM 903 CG GLN B 43 -2.755 -19.061 3.956 1.00 52.36 C ATOM 904 CD GLN B 43 -4.061 -19.006 3.198 1.00 55.18 C ATOM 905 OE1 GLN B 43 -4.162 -19.491 2.070 1.00 57.91 O ATOM 906 NE2 GLN B 43 -5.077 -18.416 3.817 1.00 56.53 N ATOM 907 N ASP B 44 0.310 -22.584 5.200 1.00 48.57 N ATOM 908 CA ASP B 44 0.632 -23.933 5.641 1.00 50.53 C ATOM 909 C ASP B 44 1.179 -23.925 7.067 1.00 51.52 C ATOM 910 O ASP B 44 2.257 -23.388 7.322 1.00 52.43 O ATOM 911 CB ASP B 44 1.655 -24.554 4.684 1.00 50.09 C ATOM 912 CG ASP B 44 1.872 -26.031 4.936 1.00 51.88 C ATOM 913 OD1 ASP B 44 2.635 -26.654 4.168 1.00 52.24 O ATOM 914 OD2 ASP B 44 1.280 -26.572 5.896 1.00 53.45 O ATOM 915 N GLN B 45 0.427 -24.519 7.991 1.00 52.86 N ATOM 916 CA GLN B 45 0.839 -24.586 9.392 1.00 53.95 C ATOM 917 C GLN B 45 1.409 -25.952 9.757 1.00 52.92 C ATOM 918 O GLN B 45 1.565 -26.264 10.937 1.00 54.73 O ATOM 919 CB GLN B 45 -0.341 -24.282 10.324 1.00 56.13 C ATOM 920 CG GLN B 45 -0.623 -22.803 10.565 1.00 59.11 C ATOM 921 CD GLN B 45 -1.382 -22.148 9.427 1.00 61.38 C ATOM 922 OE1 GLN B 45 -2.473 -22.592 9.059 1.00 61.66 O ATOM 923 NE2 GLN B 45 -0.814 -21.081 8.868 1.00 60.27 N ATOM 924 N LEU B 46 1.723 -26.763 8.752 1.00 50.03 N ATOM 925 CA LEU B 46 2.261 -28.095 9.000 1.00 47.27 C ATOM 926 C LEU B 46 3.708 -28.257 8.554 1.00 44.96 C ATOM 927 O LEU B 46 4.475 -28.982 9.183 1.00 44.16 O ATOM 928 CB LEU B 46 1.383 -29.141 8.314 1.00 47.52 C ATOM 929 CG LEU B 46 -0.053 -29.166 8.842 1.00 47.63 C ATOM 930 CD1 LEU B 46 -0.946 -29.910 7.880 1.00 47.57 C ATOM 931 CD2 LEU B 46 -0.073 -29.802 10.223 1.00 48.16 C ATOM 932 N THR B 47 4.078 -27.580 7.471 1.00 43.62 N ATOM 933 CA THR B 47 5.442 -27.647 6.948 1.00 42.19 C ATOM 934 C THR B 47 6.362 -26.708 7.733 1.00 42.58 C ATOM 935 O THR B 47 5.917 -25.678 8.242 1.00 43.67 O ATOM 936 CB THR B 47 5.490 -27.240 5.464 1.00 41.53 C ATOM 937 OG1 THR B 47 4.541 -28.015 4.721 1.00 40.05 O ATOM 938 CG2 THR B 47 6.881 -27.479 4.898 1.00 40.54 C ATOM 939 N LYS B 48 7.643 -27.062 7.820 1.00 42.46 N ATOM 940 CA LYS B 48 8.621 -26.256 8.547 1.00 41.96 C ATOM 941 C LYS B 48 8.845 -24.908 7.858 1.00 41.21 C ATOM 942 O LYS B 48 8.895 -24.831 6.628 1.00 39.02 O ATOM 943 CB LYS B 48 9.951 -27.009 8.650 1.00 44.07 C ATOM 944 CG LYS B 48 9.838 -28.457 9.141 1.00 49.15 C ATOM 945 CD LYS B 48 9.960 -28.624 10.666 1.00 52.22 C ATOM 946 CE LYS B 48 8.733 -28.138 11.440 1.00 52.93 C ATOM 947 NZ LYS B 48 8.625 -26.650 11.514 1.00 54.50 N ATOM 948 N ASN B 49 8.986 -23.847 8.652 1.00 40.51 N ATOM 949 CA ASN B 49 9.194 -22.505 8.102 1.00 40.00 C ATOM 950 C ASN B 49 10.317 -22.478 7.075 1.00 38.52 C ATOM 951 O ASN B 49 10.187 -21.863 6.018 1.00 37.60 O ATOM 952 CB ASN B 49 9.517 -21.501 9.212 1.00 41.47 C ATOM 953 CG ASN B 49 8.375 -21.319 10.187 1.00 43.19 C ATOM 954 OD1 ASN B 49 7.202 -21.439 9.824 1.00 46.59 O ATOM 955 ND2 ASN B 49 8.707 -21.000 11.428 1.00 43.02 N ATOM 956 N ALA B 50 11.423 -23.142 7.398 1.00 37.75 N ATOM 957 CA ALA B 50 12.576 -23.187 6.507 1.00 34.98 C ATOM 958 C ALA B 50 12.214 -23.828 5.170 1.00 34.29 C ATOM 959 O ALA B 50 12.705 -23.414 4.118 1.00 31.26 O ATOM 960 CB ALA B 50 13.704 -23.954 7.163 1.00 34.27 C ATOM 961 N VAL B 51 11.351 -24.839 5.207 1.00 32.21 N ATOM 962 CA VAL B 51 10.958 -25.510 3.981 1.00 32.15 C ATOM 963 C VAL B 51 10.035 -24.616 3.157 1.00 33.17 C ATOM 964 O VAL B 51 10.237 -24.444 1.951 1.00 32.96 O ATOM 965 CB VAL B 51 10.261 -26.855 4.285 1.00 32.97 C ATOM 966 CG1 VAL B 51 9.778 -27.500 2.993 1.00 32.94 C ATOM 967 CG2 VAL B 51 11.234 -27.790 5.009 1.00 32.34 C ATOM 968 N VAL B 52 9.027 -24.050 3.816 1.00 32.02 N ATOM 969 CA VAL B 52 8.065 -23.164 3.175 1.00 31.96 C ATOM 970 C VAL B 52 8.764 -21.972 2.533 1.00 32.00 C ATOM 971 O VAL B 52 8.448 -21.586 1.411 1.00 30.63 O ATOM 972 CB VAL B 52 7.041 -22.652 4.199 1.00 31.06 C ATOM 973 CG1 VAL B 52 6.167 -21.578 3.583 1.00 33.87 C ATOM 974 CG2 VAL B 52 6.197 -23.804 4.692 1.00 33.13 C ATOM 975 N LEU B 53 9.722 -21.401 3.250 1.00 33.07 N ATOM 976 CA LEU B 53 10.456 -20.257 2.746 1.00 34.78 C ATOM 977 C LEU B 53 11.295 -20.642 1.526 1.00 34.21 C ATOM 978 O LEU B 53 11.383 -19.888 0.557 1.00 34.07 O ATOM 979 CB LEU B 53 11.331 -19.685 3.870 1.00 37.78 C ATOM 980 CG LEU B 53 12.032 -18.342 3.637 1.00 41.45 C ATOM 981 CD1 LEU B 53 13.181 -18.535 2.661 1.00 45.50 C ATOM 982 CD2 LEU B 53 11.041 -17.308 3.123 1.00 40.67 C ATOM 983 N LYS B 54 11.894 -21.828 1.570 1.00 34.80 N ATOM 984 CA LYS B 54 12.728 -22.308 0.471 1.00 33.27 C ATOM 985 C LYS B 54 11.875 -22.530 -0.780 1.00 33.16 C ATOM 986 O LYS B 54 12.332 -22.305 -1.908 1.00 31.48 O ATOM 987 CB LYS B 54 13.408 -23.618 0.865 1.00 38.07 C ATOM 988 CG LYS B 54 14.492 -24.084 -0.093 1.00 43.20 C ATOM 989 CD LYS B 54 15.794 -23.324 0.111 1.00 46.28 C ATOM 990 CE LYS B 54 16.902 -23.911 -0.758 1.00 49.09 C ATOM 991 NZ LYS B 54 18.243 -23.384 -0.384 1.00 49.25 N ATOM 992 N ARG B 55 10.630 -22.966 -0.583 1.00 30.22 N ATOM 993 CA ARG B 55 9.741 -23.200 -1.710 1.00 29.02 C ATOM 994 C ARG B 55 9.377 -21.880 -2.375 1.00 29.13 C ATOM 995 O ARG B 55 9.289 -21.799 -3.605 1.00 27.10 O ATOM 996 CB ARG B 55 8.492 -23.938 -1.250 1.00 31.18 C ATOM 997 CG ARG B 55 8.786 -25.369 -0.818 1.00 31.63 C ATOM 998 CD ARG B 55 7.517 -26.057 -0.392 1.00 33.94 C ATOM 999 NE ARG B 55 7.731 -27.431 0.054 1.00 34.61 N ATOM 1000 CZ ARG B 55 6.763 -28.185 0.558 1.00 32.84 C ATOM 1001 NH1 ARG B 55 7.016 -29.423 0.952 1.00 34.74 N ATOM 1002 NH2 ARG B 55 5.539 -27.681 0.677 1.00 33.40 N ATOM 1003 N ILE B 56 9.180 -20.842 -1.562 1.00 27.16 N ATOM 1004 CA ILE B 56 8.861 -19.526 -2.089 1.00 26.86 C ATOM 1005 C ILE B 56 10.081 -19.021 -2.845 1.00 27.23 C ATOM 1006 O ILE B 56 9.953 -18.404 -3.900 1.00 26.62 O ATOM 1007 CB ILE B 56 8.496 -18.540 -0.956 1.00 27.35 C ATOM 1008 CG1 ILE B 56 7.191 -18.999 -0.287 1.00 27.01 C ATOM 1009 CG2 ILE B 56 8.339 -17.122 -1.517 1.00 24.01 C ATOM 1010 CD1 ILE B 56 6.782 -18.184 0.922 1.00 29.04 C ATOM 1011 N GLN B 57 11.266 -19.297 -2.311 1.00 28.19 N ATOM 1012 CA GLN B 57 12.492 -18.871 -2.969 1.00 28.63 C ATOM 1013 C GLN B 57 12.612 -19.558 -4.324 1.00 27.12 C ATOM 1014 O GLN B 57 13.086 -18.959 -5.280 1.00 28.71 O ATOM 1015 CB GLN B 57 13.708 -19.195 -2.098 1.00 30.54 C ATOM 1016 CG GLN B 57 13.847 -18.266 -0.910 1.00 33.00 C ATOM 1017 CD GLN B 57 15.072 -18.549 -0.082 1.00 37.08 C ATOM 1018 OE1 GLN B 57 15.525 -17.697 0.686 1.00 40.25 O ATOM 1019 NE2 GLN B 57 15.621 -19.748 -0.226 1.00 36.79 N ATOM 1020 N HIS B 58 12.172 -20.813 -4.393 1.00 26.07 N ATOM 1021 CA HIS B 58 12.213 -21.587 -5.636 1.00 26.28 C ATOM 1022 C HIS B 58 11.276 -20.972 -6.668 1.00 27.11 C ATOM 1023 O HIS B 58 11.636 -20.805 -7.838 1.00 26.55 O ATOM 1024 CB HIS B 58 11.798 -23.042 -5.381 1.00 25.86 C ATOM 1025 CG HIS B 58 12.816 -23.842 -4.632 1.00 26.83 C ATOM 1026 ND1 HIS B 58 12.525 -25.054 -4.047 1.00 28.90 N ATOM 1027 CD2 HIS B 58 14.130 -23.613 -4.389 1.00 28.01 C ATOM 1028 CE1 HIS B 58 13.613 -25.540 -3.477 1.00 27.75 C ATOM 1029 NE2 HIS B 58 14.602 -24.685 -3.671 1.00 28.94 N ATOM 1030 N LEU B 59 10.061 -20.654 -6.231 1.00 26.35 N ATOM 1031 CA LEU B 59 9.065 -20.041 -7.102 1.00 26.43 C ATOM 1032 C LEU B 59 9.568 -18.693 -7.603 1.00 26.87 C ATOM 1033 O LEU B 59 9.365 -18.328 -8.763 1.00 27.78 O ATOM 1034 CB LEU B 59 7.752 -19.829 -6.342 1.00 25.60 C ATOM 1035 CG LEU B 59 6.792 -18.833 -6.995 1.00 25.23 C ATOM 1036 CD1 LEU B 59 6.170 -19.478 -8.224 1.00 25.57 C ATOM 1037 CD2 LEU B 59 5.708 -18.413 -6.007 1.00 22.12 C ATOM 1038 N ASP B 60 10.221 -17.953 -6.715 1.00 28.24 N ATOM 1039 CA ASP B 60 10.731 -16.641 -7.063 1.00 29.47 C ATOM 1040 C ASP B 60 11.794 -16.726 -8.146 1.00 29.98 C ATOM 1041 O ASP B 60 11.814 -15.914 -9.066 1.00 30.40 O ATOM 1042 CB ASP B 60 11.311 -15.951 -5.832 1.00 30.91 C ATOM 1043 CG ASP B 60 11.481 -14.459 -6.036 1.00 32.47 C ATOM 1044 OD1 ASP B 60 12.592 -13.938 -5.801 1.00 34.91 O ATOM 1045 OD2 ASP B 60 10.492 -13.806 -6.428 1.00 33.84 O ATOM 1046 N GLU B 61 12.678 -17.709 -8.025 1.00 30.71 N ATOM 1047 CA GLU B 61 13.746 -17.902 -8.993 1.00 32.35 C ATOM 1048 C GLU B 61 13.155 -18.375 -10.314 1.00 31.51 C ATOM 1049 O GLU B 61 13.610 -17.976 -11.383 1.00 31.81 O ATOM 1050 CB GLU B 61 14.758 -18.930 -8.462 1.00 34.45 C ATOM 1051 CG GLU B 61 15.997 -19.095 -9.321 1.00 37.92 C ATOM 1052 CD GLU B 61 16.953 -20.142 -8.769 1.00 42.07 C ATOM 1053 OE1 GLU B 61 17.269 -20.084 -7.558 1.00 42.38 O ATOM 1054 OE2 GLU B 61 17.391 -21.018 -9.547 1.00 43.43 O ATOM 1055 N ALA B 62 12.137 -19.228 -10.234 1.00 31.70 N ATOM 1056 CA ALA B 62 11.476 -19.738 -11.430 1.00 29.89 C ATOM 1057 C ALA B 62 10.843 -18.560 -12.156 1.00 30.55 C ATOM 1058 O ALA B 62 10.907 -18.466 -13.383 1.00 30.96 O ATOM 1059 CB ALA B 62 10.407 -20.752 -11.056 1.00 28.50 C ATOM 1060 N TYR B 63 10.242 -17.652 -11.392 1.00 30.02 N ATOM 1061 CA TYR B 63 9.610 -16.477 -11.976 1.00 30.52 C ATOM 1062 C TYR B 63 10.636 -15.600 -12.692 1.00 30.88 C ATOM 1063 O TYR B 63 10.389 -15.128 -13.805 1.00 30.98 O ATOM 1064 CB TYR B 63 8.917 -15.653 -10.894 1.00 29.64 C ATOM 1065 CG TYR B 63 8.279 -14.363 -11.387 1.00 28.74 C ATOM 1066 CD1 TYR B 63 6.903 -14.275 -11.581 1.00 29.35 C ATOM 1067 CD2 TYR B 63 9.042 -13.223 -11.602 1.00 28.14 C ATOM 1068 CE1 TYR B 63 6.301 -13.086 -11.962 1.00 28.79 C ATOM 1069 CE2 TYR B 63 8.453 -12.024 -11.989 1.00 30.93 C ATOM 1070 CZ TYR B 63 7.079 -11.962 -12.161 1.00 30.30 C ATOM 1071 OH TYR B 63 6.483 -10.769 -12.488 1.00 31.77 O ATOM 1072 N ASN B 64 11.781 -15.372 -12.054 1.00 29.82 N ATOM 1073 CA ASN B 64 12.804 -14.532 -12.667 1.00 31.12 C ATOM 1074 C ASN B 64 13.337 -15.137 -13.961 1.00 32.11 C ATOM 1075 O ASN B 64 13.559 -14.423 -14.936 1.00 31.45 O ATOM 1076 CB ASN B 64 13.960 -14.276 -11.695 1.00 32.65 C ATOM 1077 CG ASN B 64 13.549 -13.427 -10.506 1.00 34.22 C ATOM 1078 OD1 ASN B 64 12.696 -12.547 -10.624 1.00 34.41 O ATOM 1079 ND2 ASN B 64 14.173 -13.669 -9.358 1.00 36.81 N ATOM 1080 N LYS B 65 13.535 -16.454 -13.964 1.00 34.71 N ATOM 1081 CA LYS B 65 14.044 -17.163 -15.138 1.00 35.43 C ATOM 1082 C LYS B 65 13.053 -17.117 -16.290 1.00 35.57 C ATOM 1083 O LYS B 65 13.409 -16.769 -17.415 1.00 36.32 O ATOM 1084 CB LYS B 65 14.345 -18.621 -14.787 1.00 36.34 C ATOM 1085 CG LYS B 65 15.587 -18.806 -13.932 1.00 38.04 C ATOM 1086 CD LYS B 65 15.818 -20.273 -13.595 1.00 37.32 C ATOM 1087 CE LYS B 65 17.181 -20.479 -12.938 1.00 41.27 C ATOM 1088 NZ LYS B 65 18.302 -20.187 -13.885 1.00 42.29 N ATOM 1089 N VAL B 66 11.807 -17.474 -16.003 1.00 35.21 N ATOM 1090 CA VAL B 66 10.768 -17.467 -17.014 1.00 35.07 C ATOM 1091 C VAL B 66 10.596 -16.059 -17.583 1.00 36.84 C ATOM 1092 O VAL B 66 10.438 -15.893 -18.792 1.00 35.92 O ATOM 1093 CB VAL B 66 9.433 -17.975 -16.422 1.00 34.82 C ATOM 1094 CG1 VAL B 66 8.301 -17.796 -17.420 1.00 35.30 C ATOM 1095 CG2 VAL B 66 9.571 -19.445 -16.043 1.00 35.75 C ATOM 1096 N LYS B 67 10.648 -15.043 -16.725 1.00 37.23 N ATOM 1097 CA LYS B 67 10.489 -13.668 -17.200 1.00 42.08 C ATOM 1098 C LYS B 67 11.553 -13.265 -18.229 1.00 44.03 C ATOM 1099 O LYS B 67 11.241 -12.585 -19.208 1.00 44.02 O ATOM 1100 CB LYS B 67 10.513 -12.676 -16.037 1.00 42.46 C ATOM 1101 CG LYS B 67 10.106 -11.269 -16.452 1.00 44.61 C ATOM 1102 CD LYS B 67 10.319 -10.257 -15.343 1.00 45.26 C ATOM 1103 CE LYS B 67 9.973 -8.850 -15.816 1.00 45.97 C ATOM 1104 NZ LYS B 67 10.330 -7.825 -14.798 1.00 45.81 N ATOM 1105 N ARG B 68 12.800 -13.680 -18.011 1.00 47.05 N ATOM 1106 CA ARG B 68 13.880 -13.352 -18.943 1.00 50.11 C ATOM 1107 C ARG B 68 13.636 -13.951 -20.320 1.00 52.01 C ATOM 1108 O ARG B 68 13.881 -13.304 -21.337 1.00 53.30 O ATOM 1109 CB ARG B 68 15.228 -13.859 -18.432 1.00 50.57 C ATOM 1110 CG ARG B 68 15.701 -13.227 -17.156 1.00 51.82 C ATOM 1111 CD ARG B 68 17.196 -13.419 -16.989 1.00 51.66 C ATOM 1112 NE ARG B 68 17.607 -13.098 -15.629 1.00 52.66 N ATOM 1113 CZ ARG B 68 17.641 -13.977 -14.634 1.00 53.43 C ATOM 1114 NH1 ARG B 68 17.300 -15.240 -14.848 1.00 52.76 N ATOM 1115 NH2 ARG B 68 18.003 -13.589 -13.419 1.00 55.37 N ATOM 1116 N GLY B 69 13.173 -15.195 -20.347 1.00 53.23 N ATOM 1117 CA GLY B 69 12.906 -15.845 -21.615 1.00 55.82 C ATOM 1118 C GLY B 69 11.601 -15.380 -22.235 1.00 57.69 C ATOM 1119 O GLY B 69 10.886 -14.580 -21.593 1.00 58.66 O TER 1121 GLY B 69 HETATM 1121 S SO4 A 101 17.182 -18.790 11.247 0.50 36.75 S HETATM 1122 O1 SO4 A 101 17.215 -17.324 11.282 0.50 33.78 O HETATM 1123 O2 SO4 A 101 18.287 -19.336 12.064 0.50 35.05 O HETATM 1124 O3 SO4 A 101 17.326 -19.253 9.839 0.50 35.30 O HETATM 1125 O4 SO4 A 101 15.909 -19.276 11.792 0.50 34.53 O TER 1127 SO4 A 101 HETATM 1127 S SO4 B 102 17.682 -15.335 -10.784 1.00 70.53 S HETATM 1128 O1 SO4 B 102 17.180 -15.968 -12.019 1.00 70.42 O HETATM 1129 O2 SO4 B 102 17.342 -13.896 -10.787 1.00 69.07 O HETATM 1130 O3 SO4 B 102 19.150 -15.490 -10.718 1.00 70.42 O HETATM 1131 O4 SO4 B 102 17.062 -15.980 -9.611 1.00 70.36 O TER 1133 SO4 B 102 HETATM 1133 O HOH A 102 -1.948 -10.223 -12.197 1.00 22.90 O HETATM 1134 O HOH A 103 -10.614 -3.720 -12.958 1.00 30.26 O HETATM 1135 O HOH A 104 -6.905 -13.945 4.583 1.00 41.58 O HETATM 1136 O HOH A 105 -3.129 -0.747 -19.316 1.00 29.66 O HETATM 1137 O HOH A 106 14.274 -6.217 7.230 1.00 37.73 O HETATM 1138 O HOH A 107 -4.882 0.557 -10.047 1.00 31.57 O HETATM 1139 O HOH A 108 5.715 -7.466 -9.871 1.00 33.50 O HETATM 1140 O HOH A 109 8.809 -7.786 11.279 1.00 41.44 O HETATM 1141 O HOH A 110 -3.850 0.727 6.705 1.00 29.37 O HETATM 1142 O HOH A 111 -9.250 -4.807 -10.693 1.00 34.32 O HETATM 1143 O HOH A 112 6.195 -1.135 0.263 1.00 35.12 O HETATM 1144 O HOH A 113 -2.365 8.476 -5.943 1.00 54.46 O HETATM 1145 O HOH A 114 6.127 -17.622 11.646 1.00 42.34 O HETATM 1146 O HOH A 115 -0.310 -7.252 11.553 1.00 41.84 O HETATM 1147 O HOH A 116 -4.350 4.098 -10.893 1.00 33.55 O HETATM 1148 O HOH A 117 13.847 -22.332 9.861 1.00 55.66 O HETATM 1149 O HOH A 118 10.005 -2.962 -5.213 1.00 42.32 O HETATM 1150 O HOH A 119 -12.313 -9.948 -6.129 1.00 45.30 O HETATM 1151 O HOH A 120 9.784 -4.214 -3.056 1.00 48.96 O HETATM 1152 O HOH A 121 -10.325 -11.729 -0.725 1.00 49.24 O HETATM 1153 O HOH A 122 4.986 -7.099 12.615 1.00 66.32 O HETATM 1154 O HOH A 123 2.482 -10.623 14.729 1.00 49.56 O HETATM 1155 O HOH A 124 2.621 -6.985 13.449 1.00 51.90 O HETATM 1156 O HOH A 125 15.427 -7.647 1.626 1.00 40.83 O HETATM 1157 O HOH A 126 14.125 -6.378 3.989 1.00 61.99 O HETATM 1158 O HOH A 127 7.727 -2.435 2.073 1.00 63.61 O HETATM 1159 O HOH A 128 15.329 -15.794 -3.254 1.00 42.48 O HETATM 1160 O HOH A 129 -7.336 1.548 -10.071 1.00 52.83 O HETATM 1161 O HOH A 130 -4.920 -10.598 9.048 1.00 47.62 O HETATM 1162 O HOH A 131 -4.661 4.630 2.013 1.00 57.14 O HETATM 1163 O HOH A 132 -9.612 -2.863 3.500 1.00 47.81 O HETATM 1164 O HOH A 133 -4.651 5.651 -0.650 1.00 46.98 O HETATM 1165 O HOH A 134 -12.062 -2.456 -8.749 1.00 53.28 O HETATM 1166 O HOH A 135 -12.103 -8.137 5.624 1.00 55.61 O HETATM 1167 O HOH A 136 -4.271 -5.249 11.839 1.00 62.16 O HETATM 1168 O HOH A 137 9.383 -2.589 12.765 1.00 57.13 O HETATM 1169 O HOH A 138 2.527 2.499 -14.458 1.00 51.36 O HETATM 1170 O HOH A 139 -7.939 -15.786 -1.728 1.00 45.45 O TER 1172 HOH A 139 HETATM 1172 O HOH B 103 -0.163 -8.280 -12.342 1.00 23.15 O HETATM 1173 O HOH B 104 5.023 -7.181 -12.434 1.00 41.22 O HETATM 1174 O HOH B 105 15.123 -26.215 -6.963 1.00 33.01 O HETATM 1175 O HOH B 106 -0.474 -15.368 -20.952 1.00 36.41 O HETATM 1176 O HOH B 107 3.432 -9.509 -20.429 1.00 44.30 O HETATM 1177 O HOH B 108 10.602 -12.346 -8.653 1.00 39.95 O HETATM 1178 O HOH B 109 -5.995 -19.609 -23.427 1.00 42.34 O HETATM 1179 O HOH B 110 -8.528 -21.212 -21.308 1.00 56.62 O HETATM 1180 O HOH B 111 7.852 -8.523 -13.593 1.00 42.14 O HETATM 1181 O HOH B 112 9.838 -31.261 -1.941 1.00 35.44 O HETATM 1182 O HOH B 113 -6.933 -10.750 -18.707 1.00 33.71 O HETATM 1183 O HOH B 114 8.482 -29.882 6.654 1.00 38.83 O HETATM 1184 O HOH B 115 -4.075 -19.498 -2.859 1.00 45.64 O HETATM 1185 O HOH B 116 5.758 -22.892 7.595 1.00 37.44 O HETATM 1186 O HOH B 117 1.468 -11.421 -23.071 1.00 38.69 O HETATM 1187 O HOH B 118 10.100 -28.585 -0.770 1.00 42.13 O HETATM 1188 O HOH B 119 12.144 -10.945 -12.306 1.00 49.05 O HETATM 1189 O HOH B 120 4.531 -31.460 -11.609 1.00 47.55 O HETATM 1190 O HOH B 121 6.096 -34.699 -9.934 1.00 47.92 O HETATM 1191 O HOH B 122 12.632 -35.684 -6.363 1.00 42.37 O HETATM 1192 O HOH B 123 11.535 -37.590 -10.835 1.00 50.78 O HETATM 1193 O HOH B 124 14.839 -30.915 -9.230 1.00 47.76 O HETATM 1194 O HOH B 125 11.009 -27.027 -15.829 1.00 40.58 O HETATM 1195 O HOH B 126 9.797 -26.277 -18.359 1.00 41.45 O HETATM 1196 O HOH B 127 5.068 -25.170 -21.696 1.00 54.98 O HETATM 1197 O HOH B 128 -3.417 -23.025 -25.149 1.00 54.68 O HETATM 1198 O HOH B 129 5.121 -20.170 -22.222 1.00 46.49 O HETATM 1199 O HOH B 130 11.503 -28.219 -3.280 1.00 51.06 O HETATM 1200 O HOH B 131 13.309 -26.129 -15.850 1.00 39.64 O HETATM 1201 O HOH B 132 7.737 -25.102 -22.200 1.00 57.56 O HETATM 1202 O HOH B 133 0.091 -14.831 -23.519 1.00 44.15 O HETATM 1203 O HOH B 134 8.796 -13.206 -23.500 1.00 58.74 O HETATM 1204 O HOH B 135 6.102 -17.532 -21.785 1.00 65.04 O HETATM 1205 O HOH B 136 11.414 -12.196 -22.302 1.00 48.58 O HETATM 1206 O HOH B 137 18.613 -17.696 -16.300 1.00 50.40 O HETATM 1207 O HOH B 138 17.445 -10.134 -15.882 1.00 55.30 O HETATM 1208 O HOH B 139 13.831 -7.946 -15.104 1.00 47.05 O TER 1209 HOH B 139 ENDMDL MASTER END