HEADER SERINE PROTEASE INHIBITOR 01-MAR-96 3SSI TITLE PROTEINASE INHIBITOR SSI (STREPTOMYCES SUBTILISIN, TITLE 2 INHIBITOR) FROM STREPTOMYCES ALBOGRISEOLUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: STREPTOMYCES SUBTILISIN INHIBITOR; COMPND 3 CHAIN: NULL; COMPND 4 SYNONYM: SSI SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ALBOGRISEOLUS; SOURCE 3 ORGANISM_COMMON: ACTINOMYCETE; SOURCE 4 STRAIN: S-3253 KEYWDS SSI, SERINE PROTEASE INHIBITOR, SUBTILISIN BPN EXPDTA X-RAY DIFFRACTION AUTHOR T.SUZUKI,T.NONAKA,Y.MITSUI REVDAT 1 17-AUG-96 3SSI 0 SPRSDE 17-AUG-96 3SSI 2SSI JRNL AUTH T.SUZUKI JRNL TITL STRUCTURAL MODULATION OF THE PROTEIN PROTEINASE JRNL TITL 2 INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR) JRNL REF TO BE PUBLISHED JRNL REFN 0353 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.TAKEUCHI,T.NONAKA,K.T.NAKAMURA,S.KOJIMA,K.MIURA, REMARK 1 AUTH 2 Y.MITSUI REMARK 1 TITL CRYSTAL STRUCTURE OF AN ENGINEERED SUBTILISIN REMARK 1 TITL 2 INHIBITOR COMPLEXED WITH BOVINE TRYPSIN REMARK 1 REF PROC.NAT.ACAD.SCI.USA V. 89 4407 1992 REMARK 1 REFN ASTM PNASA6 US ISSN 0027-8424 0040 REMARK 1 REFERENCE 2 REMARK 1 AUTH Y.TAKEUCHI,Y.SATOW,K.T.NAKAMURA,Y.MITSUI REMARK 1 TITL REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF REMARK 1 TITL 2 SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN REMARK 1 TITL 3 INHIBITOR AT 1.8 A RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 221 309 1991 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REFERENCE 3 REMARK 1 AUTH Y.TAKEUCHI,S.NOGUCHI,Y.SATOW,S.KOJIMA,I.KUMAGAI, REMARK 1 AUTH 2 K.MIURA,K.T.NAKAMURA,Y.MITSUI REMARK 1 TITL MOLECULAR RECOGNITION AT THE ACTIVE SITE OF REMARK 1 TITL 2 SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING REMARK 1 TITL 3 GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI REMARK 1 TITL 4 (STREPTOMYCES SUBTILISIN INHIBITOR) REMARK 1 REF PROTEIN ENG. V. 4 501 1991 REMARK 1 REFN ASTM PRENE9 UK ISSN 0269-2139 0859 REMARK 1 REFERENCE 4 REMARK 1 AUTH U.CHRISTENSEN,S.ISHIDA,S.ISHII,Y.MITSUI,Y.IITAKA, REMARK 1 AUTH 2 J.MCCLARIN,R.LANGRIDGE REMARK 1 TITL INTERACTIONS OF STREPTOMYCES SUBTILISIN INHIBITOR REMARK 1 TITL 2 WITH STREPTOMYCES GRISEUS PROTEASES A AND B. ENZYME REMARK 1 TITL 3 KINETIC AND COMPUTER SIMULATION STUDIES REMARK 1 REF J.BIOCHEM.(TOKYO) V. 98 1263 1985 REMARK 1 REFN ASTM JOBIAO JA ISSN 0021-924X 0418 REMARK 1 REFERENCE 5 REMARK 1 EDIT K.HIROMI,K.AKASAKA,Y.MITSUI,B.TONOMURA,S.MURAO REMARK 1 REF PROTEIN PROTEASE INHIBITOR: 1985 REMARK 1 REF 2 THE CASE OF STREPTOMYCES REMARK 1 REF 3 SUBTILISIN INHIBITOR (SSI) REMARK 1 PUBL AMSTERDAM : ELSEVIER SCIENCE PUBLISHERS REMARK 1 REFN ISBN 0-444-80597-4 2087 REMARK 1 REFERENCE 6 REMARK 1 AUTH S.HIRONO,H.AKAGAWA,Y.MITSUI,Y.IITAKA REMARK 1 TITL CRYSTAL STRUCTURE AT 2.6 A RESOLUTION OF THE REMARK 1 TITL 2 COMPLEX OF SUBTILISIN BPN' WITH STREPTOMYCES REMARK 1 TITL 3 SUBTILISIN INHIBITOR REMARK 1 REF J.MOL.BIOL. V. 178 389 1984 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REFERENCE 7 REMARK 1 AUTH Y.SATOW,Y.WATANABE,Y.MITSUI REMARK 1 TITL SOLVENT ACCESSIBILITY AND MICROENVIRONMENT IN A REMARK 1 TITL 2 BACTERIAL PROTEIN PROTEINASE INHIBITOR SSI REMARK 1 TITL 3 (STREPTOMYCES SUBTILISIN INHIBITOR) REMARK 1 REF J.BIOCHEM.(TOKYO) V. 88 1739 1980 REMARK 1 REFN ASTM JOBIAO JA ISSN 0021-924X 0418 REMARK 1 REFERENCE 8 REMARK 1 AUTH S.HIRONO,K.T.NAKAMURA,Y.IITAKA,Y.MITSUI REMARK 1 TITL CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN REMARK 1 TITL 2 BPN' WITH ITS PROTEIN INHIBITOR STREPTOMYCES REMARK 1 TITL 3 SUBTILISIN INHIBITOR. THE STRUCTURE AT 4.3 REMARK 1 TITL 4 ANGSTROMS RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 131 855 1979 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REFERENCE 9 REMARK 1 AUTH Y.MITSUI,Y.SATOW,Y.WATANABE,Y.IITAKA REMARK 1 TITL CRYSTAL STRUCTURE OF A BACTERIAL PROTEIN PROTEINASE REMARK 1 TITL 2 INHIBITOR (STREPTOMYCES SUBTILISIN INHIBITOR) AT REMARK 1 TITL 3 2.6 A RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 131 697 1979 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 REFERENCE 10 REMARK 1 AUTH Y.MITSUI,Y.SATOW,Y.WATANABE,S.HIRONO,Y.IITAKA REMARK 1 TITL CRYSTAL STRUCTURES OF STREPTOMYCES SUBTILISIN REMARK 1 TITL 2 INHIBITOR AND ITS COMPLEX WITH SUBTILISIN BPN REMARK 1 REF NATURE V. 277 447 1979 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 0006 REMARK 1 REFERENCE 11 REMARK 1 AUTH Y.SATOW,Y.MITSUI,Y.IITAKA REMARK 1 TITL CRYSTAL STRUCTURE OF A PROTEIN PROTEINASE REMARK 1 TITL 2 INHIBITOR, SSI (STREPTOMYCES SUBTILISIN REMARK 1 TITL 3 INHIBITOR), AT 4 A RESOLUTION REMARK 1 REF J.BIOCHEM.(TOKYO) V. 84 897 1978 REMARK 1 REFN ASTM JOBIAO JA ISSN 0021-924X 0418 REMARK 1 REFERENCE 12 REMARK 1 AUTH Y.MITSUI,Y.SATOW,T.SAKAMAKI,Y.IITAKA REMARK 1 TITL CRYSTAL STRUCTURE OF A PROTEIN PROTEINASE REMARK 1 TITL 2 INHIBITOR, STREPTOMYCES SUBTILISIN INHIBITOR, AT REMARK 1 TITL 3 2.3 ANGSTROM RESOLUTION REMARK 1 REF J.BIOCHEM.(TOKYO) V. 82 295 1977 REMARK 1 REFN ASTM JOBIAO JA ISSN 0021-924X 0418 REMARK 1 REFERENCE 13 REMARK 1 AUTH Y.SATOW,Y.MITSUI,Y.IITAKA,S.MURAO,S.SATO REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY INVESTIGATION REMARK 1 TITL 2 OF A NEW ALKALINE PROTEASE INHIBITOR AND ITS REMARK 1 TITL 3 COMPLEX WITH SUBTILISIN BPN REMARK 1 REF J.MOL.BIOL. V. 75 745 1973 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 2 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.3 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 75.1 REMARK 3 NUMBER OF REFLECTIONS : 3756 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 COMPLETENESS IN THIS BIN (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 722 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 31 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 31.8 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 - 0.20 REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.011 REMARK 3 BOND ANGLES (DEGREES) : 1.595 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 27.517 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.423 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 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 PARAMETER FILE 2 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3SSI COMPLIES WITH FORMAT V. 2.0, 16-FEB-1996 REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-FEB-1993 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU-200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NONE REMARK 200 OPTICS : SUPPER DOUBLE FOCUSING REMARK 200 REMARK 200 DETECTOR TYPE : R-AXIS IIC REMARK 200 DETECTOR MANUFACTURER : RIGAKU REMARK 200 INTENSITY-INTEGRATION SOFTWARE : PROCESS REMARK 200 DATA SCALING SOFTWARE : PROCESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 4866 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.03 REMARK 200 RESOLUTION RANGE LOW (A) : 38.3 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1. REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 63.7 REMARK 200 DATA REDUNDANCY : 2.6 REMARK 200 R MERGE (I) : 0.048 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.34 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.30 REMARK 200 COMPLETENESS FOR SHELL (%) : 48.8 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 49. REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 Y-X,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,2/3-Z REMARK 290 6555 -X,Y-X,1/3-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 -0.500018 -0.866017 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866034 -0.499982 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 38.42459 REMARK 290 SMTRY1 3 -0.499982 0.866017 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866034 -0.500018 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 76.84919 REMARK 290 SMTRY1 4 -0.500018 0.865996 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866034 0.500018 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000041 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 76.84919 REMARK 290 SMTRY1 6 -0.499982 -0.866037 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866034 0.499982 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 38.42459 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE REMARK 300 THE ASYMMETRIC UNIT OF THE CRYSTAL CONTAINS ONE OF THE REMARK 300 SUBUNITS OF THE DIMER. THE TWO-FOLD ROTATION GIVEN AS REMARK 300 BIOMT IN REMARK 350 WILL GENERATE THE OTHER SUBUNIT OF THE REMARK 300 DIMER. REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 APPLY THE FOLLOWING TO CHAINS: NULL REMARK 350 BIOMT1 1 -0.500000 0.866025 0.000000 0.00000 REMARK 350 BIOMT2 1 0.866025 0.500000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 -1.000000 115.28000 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: PCR REMARK 800 SITE_DESCRIPTION: THE PRIMARY CONTACT REGION (PCR) CONSISTS REMARK 800 OF P7-P2' RESIDUES WHICH INVOLVE THE SCISSILE BOND (OR THE REMARK 800 REACTIVE SITE PEPTIDE BOND) AND MAKE CONTACTS WITH THE REMARK 800 TARGET ENZYMES. REMARK 800 REMARK 800 SITE_IDENTIFIER: SCR REMARK 800 SITE_DESCRIPTION: THE SECONDARY CONTACT REGION (SCR) IS REMARK 800 LOCATED CLOSE TO THE PRIMARY CONTACT REGION. THE MAIN ROLE REMARK 800 OF THE SCR IS PERHAPS TO STABILIZE THE PRIMARY CONTACT REMARK 800 REGION FROM INSIDE OF THE INHIBITOR MOLECULE RATHER THAN TO REMARK 800 MAKE INTERACTIONS WITH THE TARGET ENZYMES. REMARK 999 REMARK 999 SEQUENCE REMARK 999 3SSI SWS P01006 1 - 36 NOT IN ATOMS LIST DBREF 3SSI 6 113 SWS P01006 SSI_STRAO 37 144 SEQRES 1 113 ASP ALA PRO SER ALA LEU TYR ALA PRO SER ALA LEU VAL SEQRES 2 113 LEU THR VAL GLY LYS GLY VAL SER ALA THR THR ALA ALA SEQRES 3 113 PRO GLU ARG ALA VAL THR LEU THR CYS ALA PRO GLY PRO SEQRES 4 113 SER GLY THR HIS PRO ALA ALA GLY SER ALA CYS ALA ASP SEQRES 5 113 LEU ALA ALA VAL GLY GLY ASP LEU ASN ALA LEU THR ARG SEQRES 6 113 GLY GLU ASP VAL MET CYS PRO MET VAL TYR ASP PRO VAL SEQRES 7 113 LEU LEU THR VAL ASP GLY VAL TRP GLN GLY LYS ARG VAL SEQRES 8 113 SER TYR GLU ARG VAL PHE SER ASN GLU CYS GLU MET ASN SEQRES 9 113 ALA HIS GLY SER SER VAL PHE ALA PHE FORMUL 2 HOH *31(H2 O1) HELIX 1 A1 ALA 45 VAL 56 1 12 HELIX 2 A2 ASN 99 ASN 104 1 6 SHEET 1 S1 4 ARG 29 CYS 35 0 SHEET 2 S1 4 SER 10 GLY 19 -1 N LEU 12 O LEU 33 SHEET 3 S1 4 PRO 77 TRP 86 -1 N LEU 79 O GLY 17 SHEET 4 S1 4 LYS 89 PHE 97 -1 N LYS 89 O TRP 86 SSBOND 1 CYS 35 CYS 50 SSBOND 2 CYS 71 CYS 101 CISPEP 1 ALA 36 PRO 37 0 -0.06 SITE 1 PCR 9 GLU 67 ASP 68 VAL 69 MET 70 SITE 2 PCR 9 CYS 71 PRO 72 MET 73 VAL 74 SITE 3 PCR 9 TYR 75 SITE 1 SCR 5 SER 98 ASN 99 GLU 100 CYS 101 SITE 2 SCR 5 GLU 102 CRYST1 40.740 40.740 115.280 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.024546 0.014172 0.000000 0.00000 SCALE2 0.000000 0.028343 0.000000 0.00000 SCALE3 0.000000 0.000000 0.008675 0.00000 ATOM 1 N LEU 6 17.159 25.786 38.417 1.00 42.93 N ATOM 2 CA LEU 6 16.593 24.779 39.365 1.00 42.31 C ATOM 3 C LEU 6 17.707 23.835 39.751 1.00 39.55 C ATOM 4 O LEU 6 18.596 23.559 38.944 1.00 34.46 O ATOM 5 CB LEU 6 15.490 23.948 38.700 1.00 47.35 C ATOM 6 CG LEU 6 14.055 24.475 38.614 1.00 57.37 C ATOM 7 CD1 LEU 6 13.413 24.090 37.255 1.00 58.29 C ATOM 8 CD2 LEU 6 13.233 23.948 39.805 1.00 56.32 C ATOM 9 N TYR 7 17.624 23.319 40.970 1.00 35.74 N ATOM 10 CA TYR 7 18.597 22.374 41.491 1.00 32.92 C ATOM 11 C TYR 7 17.782 21.322 42.231 1.00 30.52 C ATOM 12 O TYR 7 16.607 21.551 42.521 1.00 30.39 O ATOM 13 CB TYR 7 19.572 23.083 42.445 1.00 33.51 C ATOM 14 CG TYR 7 18.903 24.105 43.344 1.00 39.82 C ATOM 15 CD1 TYR 7 18.656 25.396 42.888 1.00 41.31 C ATOM 16 CD2 TYR 7 18.477 23.772 44.638 1.00 39.32 C ATOM 17 CE1 TYR 7 18.000 26.331 43.689 1.00 40.89 C ATOM 18 CE2 TYR 7 17.816 24.706 45.444 1.00 34.97 C ATOM 19 CZ TYR 7 17.586 25.980 44.961 1.00 37.59 C ATOM 20 OH TYR 7 16.965 26.926 45.739 1.00 37.84 O ATOM 21 N ALA 8 18.361 20.145 42.451 1.00 27.86 N ATOM 22 CA ALA 8 17.672 19.107 43.200 1.00 24.32 C ATOM 23 C ALA 8 17.622 19.668 44.621 1.00 25.05 C ATOM 24 O ALA 8 18.653 20.050 45.195 1.00 28.82 O ATOM 25 CB ALA 8 18.455 17.846 43.164 1.00 20.76 C ATOM 26 N PRO 9 16.430 19.763 45.203 1.00 22.85 N ATOM 27 CA PRO 9 16.351 20.309 46.562 1.00 21.34 C ATOM 28 C PRO 9 16.944 19.460 47.699 1.00 20.67 C ATOM 29 O PRO 9 17.014 18.234 47.600 1.00 23.63 O ATOM 30 CB PRO 9 14.856 20.568 46.729 1.00 21.62 C ATOM 31 CG PRO 9 14.228 19.473 45.923 1.00 20.12 C ATOM 32 CD PRO 9 15.103 19.383 44.688 1.00 23.58 C ATOM 33 N SER 10 17.432 20.145 48.739 1.00 22.82 N ATOM 34 CA SER 10 18.000 19.543 49.959 1.00 19.34 C ATOM 35 C SER 10 17.571 20.412 51.147 1.00 19.16 C ATOM 36 O SER 10 18.165 21.457 51.406 1.00 19.05 O ATOM 37 CB SER 10 19.520 19.489 49.907 1.00 15.59 C ATOM 38 OG SER 10 19.965 18.462 49.048 1.00 31.23 O ATOM 39 N ALA 11 16.503 19.997 51.817 1.00 16.73 N ATOM 40 CA ALA 11 15.945 20.711 52.949 1.00 17.55 C ATOM 41 C ALA 11 15.367 19.667 53.912 1.00 24.51 C ATOM 42 O ALA 11 14.546 18.820 53.517 1.00 22.10 O ATOM 43 CB ALA 11 14.873 21.663 52.494 1.00 7.82 C ATOM 44 N LEU 12 15.796 19.771 55.177 1.00 28.54 N ATOM 45 CA LEU 12 15.434 18.854 56.253 1.00 25.16 C ATOM 46 C LEU 12 15.093 19.546 57.575 1.00 22.22 C ATOM 47 O LEU 12 15.481 20.702 57.781 1.00 18.41 O ATOM 48 CB LEU 12 16.641 17.959 56.515 1.00 20.87 C ATOM 49 CG LEU 12 17.207 17.140 55.356 1.00 19.39 C ATOM 50 CD1 LEU 12 18.668 16.842 55.631 1.00 16.88 C ATOM 51 CD2 LEU 12 16.415 15.852 55.185 1.00 19.82 C ATOM 52 N VAL 13 14.287 18.859 58.403 1.00 24.00 N ATOM 53 CA VAL 13 13.926 19.283 59.781 1.00 25.69 C ATOM 54 C VAL 13 14.281 18.105 60.683 1.00 24.85 C ATOM 55 O VAL 13 13.823 16.963 60.472 1.00 21.63 O ATOM 56 CB VAL 13 12.401 19.628 60.080 1.00 22.51 C ATOM 57 CG1 VAL 13 12.020 20.957 59.507 1.00 28.08 C ATOM 58 CG2 VAL 13 11.473 18.551 59.594 1.00 23.85 C ATOM 59 N LEU 14 15.141 18.359 61.654 1.00 21.30 N ATOM 60 CA LEU 14 15.517 17.311 62.571 1.00 20.20 C ATOM 61 C LEU 14 14.929 17.653 63.934 1.00 22.04 C ATOM 62 O LEU 14 14.909 18.827 64.327 1.00 23.38 O ATOM 63 CB LEU 14 17.035 17.205 62.639 1.00 23.64 C ATOM 64 CG LEU 14 17.805 17.133 61.324 1.00 17.35 C ATOM 65 CD1 LEU 14 18.217 18.521 60.909 1.00 23.02 C ATOM 66 CD2 LEU 14 19.034 16.282 61.513 1.00 18.82 C ATOM 67 N THR 15 14.366 16.657 64.613 1.00 22.30 N ATOM 68 CA THR 15 13.796 16.867 65.941 1.00 22.75 C ATOM 69 C THR 15 14.310 15.786 66.895 1.00 26.08 C ATOM 70 O THR 15 14.500 14.634 66.491 1.00 30.21 O ATOM 71 CB THR 15 12.249 16.842 65.942 1.00 20.62 C ATOM 72 OG1 THR 15 11.792 15.492 65.920 1.00 21.12 O ATOM 73 CG2 THR 15 11.679 17.582 64.747 1.00 18.75 C ATOM 74 N VAL 16 14.566 16.156 68.146 1.00 27.49 N ATOM 75 CA VAL 16 15.049 15.199 69.147 1.00 23.82 C ATOM 76 C VAL 16 14.198 15.349 70.390 1.00 22.39 C ATOM 77 O VAL 16 13.762 16.458 70.717 1.00 27.21 O ATOM 78 CB VAL 16 16.545 15.429 69.496 1.00 23.49 C ATOM 79 CG1 VAL 16 16.767 16.753 70.213 1.00 22.39 C ATOM 80 CG2 VAL 16 17.068 14.294 70.306 1.00 21.00 C ATOM 81 N GLY 17 13.904 14.232 71.039 1.00 22.73 N ATOM 82 CA GLY 17 13.103 14.251 72.247 1.00 20.17 C ATOM 83 C GLY 17 13.416 13.004 73.039 1.00 23.79 C ATOM 84 O GLY 17 13.800 11.997 72.460 1.00 27.60 O ATOM 85 N LYS 18 13.301 13.061 74.363 1.00 27.36 N ATOM 86 CA LYS 18 13.579 11.895 75.190 1.00 21.22 C ATOM 87 C LYS 18 12.392 10.990 75.027 1.00 19.46 C ATOM 88 O LYS 18 11.254 11.424 75.203 1.00 22.63 O ATOM 89 CB LYS 18 13.738 12.283 76.654 1.00 23.24 C ATOM 90 CG LYS 18 15.006 13.019 76.987 1.00 21.95 C ATOM 91 CD LYS 18 15.214 12.983 78.489 1.00 37.94 C ATOM 92 CE LYS 18 16.099 14.124 78.997 1.00 41.53 C ATOM 93 NZ LYS 18 17.465 14.105 78.404 1.00 49.72 N ATOM 94 N GLY 19 12.651 9.746 74.661 1.00 16.64 N ATOM 95 CA GLY 19 11.581 8.790 74.445 1.00 19.33 C ATOM 96 C GLY 19 12.075 7.600 73.628 1.00 24.23 C ATOM 97 O GLY 19 13.281 7.425 73.412 1.00 28.80 O ATOM 98 N VAL 20 11.172 6.777 73.132 1.00 25.93 N ATOM 99 CA VAL 20 11.644 5.642 72.369 1.00 27.36 C ATOM 100 C VAL 20 10.922 5.447 71.019 1.00 27.68 C ATOM 101 O VAL 20 11.289 4.578 70.226 1.00 26.41 O ATOM 102 CB VAL 20 11.636 4.385 73.286 1.00 26.77 C ATOM 103 CG1 VAL 20 10.598 3.361 72.844 1.00 25.33 C ATOM 104 CG2 VAL 20 13.030 3.813 73.396 1.00 21.21 C ATOM 105 N SER 21 9.936 6.292 70.741 1.00 27.17 N ATOM 106 CA SER 21 9.182 6.212 69.494 1.00 34.76 C ATOM 107 C SER 21 8.499 7.561 69.317 1.00 37.45 C ATOM 108 O SER 21 8.245 8.251 70.311 1.00 42.33 O ATOM 109 CB SER 21 8.127 5.116 69.576 1.00 37.15 C ATOM 110 OG SER 21 7.003 5.554 70.334 1.00 45.63 O ATOM 111 N ALA 22 8.160 7.915 68.079 1.00 36.29 N ATOM 112 CA ALA 22 7.544 9.205 67.790 1.00 31.97 C ATOM 113 C ALA 22 6.234 9.429 68.520 1.00 31.77 C ATOM 114 O ALA 22 5.817 10.569 68.734 1.00 30.31 O ATOM 115 CB ALA 22 7.360 9.367 66.312 1.00 32.60 C ATOM 116 N THR 23 5.595 8.333 68.910 1.00 35.67 N ATOM 117 CA THR 23 4.332 8.391 69.642 1.00 37.02 C ATOM 118 C THR 23 4.586 8.723 71.107 1.00 35.11 C ATOM 119 O THR 23 3.780 9.428 71.721 1.00 35.28 O ATOM 120 CB THR 23 3.560 7.037 69.542 1.00 41.22 C ATOM 121 OG1 THR 23 3.078 6.851 68.201 1.00 46.38 O ATOM 122 CG2 THR 23 2.383 6.993 70.496 1.00 45.50 C ATOM 123 N THR 24 5.717 8.247 71.643 1.00 34.26 N ATOM 124 CA THR 24 6.090 8.457 73.055 1.00 33.14 C ATOM 125 C THR 24 7.246 9.427 73.346 1.00 33.20 C ATOM 126 O THR 24 7.784 9.418 74.454 1.00 33.44 O ATOM 127 CB THR 24 6.488 7.121 73.746 1.00 33.53 C ATOM 128 OG1 THR 24 7.867 6.824 73.481 1.00 29.79 O ATOM 129 CG2 THR 24 5.621 5.980 73.261 1.00 37.85 C ATOM 130 N ALA 25 7.685 10.201 72.363 1.00 31.91 N ATOM 131 CA ALA 25 8.788 11.122 72.590 1.00 26.18 C ATOM 132 C ALA 25 8.421 12.470 72.030 1.00 24.99 C ATOM 133 O ALA 25 8.386 12.644 70.826 1.00 33.28 O ATOM 134 CB ALA 25 10.071 10.600 71.931 1.00 24.39 C ATOM 135 N ALA 26 8.101 13.410 72.904 1.00 22.61 N ATOM 136 CA ALA 26 7.738 14.744 72.491 1.00 18.29 C ATOM 137 C ALA 26 8.943 15.475 71.874 1.00 25.31 C ATOM 138 O ALA 26 10.084 15.287 72.312 1.00 24.79 O ATOM 139 CB ALA 26 7.211 15.498 73.674 1.00 22.52 C ATOM 140 N PRO 27 8.717 16.261 70.793 1.00 25.80 N ATOM 141 CA PRO 27 9.814 16.992 70.152 1.00 22.30 C ATOM 142 C PRO 27 10.238 18.154 71.014 1.00 20.86 C ATOM 143 O PRO 27 9.553 19.169 71.041 1.00 22.86 O ATOM 144 CB PRO 27 9.183 17.491 68.852 1.00 20.55 C ATOM 145 CG PRO 27 7.741 17.610 69.191 1.00 19.54 C ATOM 146 CD PRO 27 7.474 16.390 70.004 1.00 21.86 C ATOM 147 N GLU 28 11.375 18.028 71.689 1.00 20.94 N ATOM 148 CA GLU 28 11.853 19.095 72.565 1.00 23.82 C ATOM 149 C GLU 28 12.602 20.173 71.798 1.00 24.24 C ATOM 150 O GLU 28 12.421 21.366 72.042 1.00 24.07 O ATOM 151 CB GLU 28 12.769 18.545 73.654 1.00 25.74 C ATOM 152 CG GLU 28 12.163 17.461 74.525 1.00 34.74 C ATOM 153 CD GLU 28 13.103 17.021 75.656 1.00 42.20 C ATOM 154 OE1 GLU 28 14.280 17.495 75.722 1.00 41.94 O ATOM 155 OE2 GLU 28 12.649 16.196 76.485 1.00 46.80 O ATOM 156 N ARG 29 13.490 19.743 70.915 1.00 23.49 N ATOM 157 CA ARG 29 14.268 20.659 70.100 1.00 23.67 C ATOM 158 C ARG 29 14.059 20.290 68.624 1.00 23.13 C ATOM 159 O ARG 29 13.825 19.124 68.303 1.00 24.79 O ATOM 160 CB ARG 29 15.739 20.531 70.468 1.00 28.24 C ATOM 161 CG ARG 29 16.246 21.563 71.440 1.00 26.02 C ATOM 162 CD ARG 29 17.622 21.166 71.899 1.00 22.52 C ATOM 163 NE ARG 29 17.532 19.938 72.675 1.00 29.73 N ATOM 164 CZ ARG 29 18.365 18.908 72.574 1.00 30.85 C ATOM 165 NH1 ARG 29 19.387 18.937 71.728 1.00 31.82 N ATOM 166 NH2 ARG 29 18.176 17.844 73.341 1.00 41.25 N ATOM 167 N ALA 30 14.154 21.275 67.737 1.00 23.00 N ATOM 168 CA ALA 30 13.956 21.060 66.304 1.00 23.10 C ATOM 169 C ALA 30 14.738 22.078 65.470 1.00 24.40 C ATOM 170 O ALA 30 14.576 23.285 65.659 1.00 29.15 O ATOM 171 CB ALA 30 12.477 21.165 65.975 1.00 20.09 C ATOM 172 N VAL 31 15.584 21.607 64.558 1.00 22.51 N ATOM 173 CA VAL 31 16.342 22.509 63.691 1.00 20.14 C ATOM 174 C VAL 31 16.148 22.229 62.190 1.00 24.81 C ATOM 175 O VAL 31 16.081 21.070 61.763 1.00 26.17 O ATOM 176 CB VAL 31 17.834 22.418 63.962 1.00 17.39 C ATOM 177 CG1 VAL 31 18.182 23.109 65.236 1.00 16.83 C ATOM 178 CG2 VAL 31 18.262 20.988 63.993 1.00 17.26 C ATOM 179 N THR 32 16.057 23.283 61.384 1.00 24.72 N ATOM 180 CA THR 32 15.930 23.099 59.937 1.00 22.24 C ATOM 181 C THR 32 17.352 23.105 59.368 1.00 23.46 C ATOM 182 O THR 32 18.264 23.699 59.965 1.00 26.22 O ATOM 183 CB THR 32 15.074 24.214 59.254 1.00 20.44 C ATOM 184 OG1 THR 32 15.528 25.514 59.645 1.00 20.32 O ATOM 185 CG2 THR 32 13.602 24.080 59.607 1.00 18.10 C ATOM 186 N LEU 33 17.555 22.412 58.249 1.00 22.75 N ATOM 187 CA LEU 33 18.867 22.347 57.601 1.00 22.37 C ATOM 188 C LEU 33 18.721 22.363 56.086 1.00 26.47 C ATOM 189 O LEU 33 18.001 21.537 55.511 1.00 27.85 O ATOM 190 CB LEU 33 19.577 21.070 58.000 1.00 14.48 C ATOM 191 CG LEU 33 20.998 20.880 57.506 1.00 15.07 C ATOM 192 CD1 LEU 33 21.902 21.942 58.109 1.00 15.43 C ATOM 193 CD2 LEU 33 21.480 19.460 57.896 1.00 18.82 C ATOM 194 N THR 34 19.415 23.290 55.441 1.00 29.21 N ATOM 195 CA THR 34 19.383 23.416 53.983 1.00 28.84 C ATOM 196 C THR 34 20.801 23.229 53.448 1.00 29.99 C ATOM 197 O THR 34 21.757 23.787 54.001 1.00 32.09 O ATOM 198 CB THR 34 18.816 24.805 53.571 1.00 27.59 C ATOM 199 OG1 THR 34 17.393 24.816 53.765 1.00 26.20 O ATOM 200 CG2 THR 34 19.156 25.153 52.128 1.00 28.53 C ATOM 201 N CYS 35 20.948 22.409 52.411 1.00 30.63 N ATOM 202 CA CYS 35 22.266 22.173 51.822 1.00 30.04 C ATOM 203 C CYS 35 22.409 22.509 50.324 1.00 33.49 C ATOM 204 O CYS 35 23.465 22.289 49.724 1.00 36.06 O ATOM 205 CB CYS 35 22.694 20.737 52.090 1.00 25.18 C ATOM 206 SG CYS 35 22.839 20.375 53.873 1.00 29.77 S ATOM 207 N ALA 36 21.359 23.060 49.724 1.00 34.50 N ATOM 208 CA ALA 36 21.382 23.411 48.306 1.00 35.04 C ATOM 209 C ALA 36 20.555 24.653 48.136 1.00 32.80 C ATOM 210 O ALA 36 19.418 24.701 48.607 1.00 34.30 O ATOM 211 CB ALA 36 20.805 22.275 47.451 1.00 31.87 C ATOM 212 N PRO 37 21.093 25.668 47.439 1.00 34.15 N ATOM 213 CA PRO 37 22.419 25.690 46.821 1.00 36.19 C ATOM 214 C PRO 37 23.563 25.827 47.819 1.00 38.90 C ATOM 215 O PRO 37 24.722 25.565 47.496 1.00 39.25 O ATOM 216 CB PRO 37 22.336 26.900 45.890 1.00 37.99 C ATOM 217 CG PRO 37 21.437 27.811 46.602 1.00 36.57 C ATOM 218 CD PRO 37 20.341 26.878 47.065 1.00 37.64 C ATOM 219 N GLY 38 23.237 26.226 49.041 1.00 40.47 N ATOM 220 CA GLY 38 24.267 26.364 50.049 1.00 35.49 C ATOM 221 C GLY 38 23.729 26.015 51.413 1.00 33.71 C ATOM 222 O GLY 38 22.509 26.014 51.613 1.00 32.84 O ATOM 223 N PRO 39 24.616 25.699 52.368 1.00 33.26 N ATOM 224 CA PRO 39 24.274 25.338 53.748 1.00 30.90 C ATOM 225 C PRO 39 23.740 26.509 54.551 1.00 28.31 C ATOM 226 O PRO 39 24.400 27.545 54.658 1.00 27.66 O ATOM 227 CB PRO 39 25.608 24.858 54.314 1.00 32.68 C ATOM 228 CG PRO 39 26.603 25.678 53.567 1.00 30.53 C ATOM 229 CD PRO 39 26.069 25.595 52.155 1.00 32.11 C ATOM 230 N SER 40 22.526 26.354 55.067 1.00 25.63 N ATOM 231 CA SER 40 21.905 27.367 55.899 1.00 22.72 C ATOM 232 C SER 40 20.834 26.693 56.746 1.00 23.30 C ATOM 233 O SER 40 20.653 25.475 56.649 1.00 25.75 O ATOM 234 CB SER 40 21.344 28.519 55.062 1.00 21.43 C ATOM 235 OG SER 40 20.099 28.216 54.459 1.00 24.33 O ATOM 236 N GLY 41 20.168 27.467 57.603 1.00 27.29 N ATOM 237 CA GLY 41 19.121 26.947 58.484 1.00 25.46 C ATOM 238 C GLY 41 19.371 27.216 59.972 1.00 24.06 C ATOM 239 O GLY 41 20.409 27.779 60.341 1.00 19.62 O ATOM 240 N THR 42 18.436 26.808 60.831 1.00 23.01 N ATOM 241 CA THR 42 18.589 27.027 62.272 1.00 24.63 C ATOM 242 C THR 42 19.631 26.118 62.907 1.00 25.96 C ATOM 243 O THR 42 20.084 26.360 64.020 1.00 32.50 O ATOM 244 CB THR 42 17.254 26.912 63.061 1.00 20.39 C ATOM 245 OG1 THR 42 16.583 25.666 62.787 1.00 23.86 O ATOM 246 CG2 THR 42 16.362 28.056 62.706 1.00 15.10 C ATOM 247 N HIS 43 20.029 25.083 62.186 1.00 25.53 N ATOM 248 CA HIS 43 21.029 24.158 62.679 1.00 23.65 C ATOM 249 C HIS 43 22.290 24.938 63.088 1.00 27.27 C ATOM 250 O HIS 43 22.794 25.765 62.323 1.00 26.36 O ATOM 251 CB HIS 43 21.338 23.148 61.572 1.00 22.56 C ATOM 252 CG HIS 43 22.151 21.976 62.019 1.00 20.06 C ATOM 253 ND1 HIS 43 23.496 22.071 62.313 1.00 16.74 N ATOM 254 CD2 HIS 43 21.813 20.678 62.208 1.00 17.19 C ATOM 255 CE1 HIS 43 23.951 20.882 62.665 1.00 22.23 C ATOM 256 NE2 HIS 43 22.950 20.018 62.608 1.00 19.37 N ATOM 257 N PRO 44 22.843 24.639 64.281 1.00 29.94 N ATOM 258 CA PRO 44 24.044 25.266 64.858 1.00 29.75 C ATOM 259 C PRO 44 25.264 25.170 63.948 1.00 29.76 C ATOM 260 O PRO 44 26.149 26.028 63.986 1.00 27.64 O ATOM 261 CB PRO 44 24.279 24.454 66.126 1.00 30.69 C ATOM 262 CG PRO 44 22.918 23.974 66.484 1.00 37.10 C ATOM 263 CD PRO 44 22.360 23.563 65.158 1.00 33.48 C ATOM 264 N ALA 45 25.356 24.070 63.206 1.00 28.62 N ATOM 265 CA ALA 45 26.468 23.876 62.282 1.00 28.79 C ATOM 266 C ALA 45 25.976 23.429 60.893 1.00 28.24 C ATOM 267 O ALA 45 26.210 22.285 60.455 1.00 24.88 O ATOM 268 CB ALA 45 27.451 22.877 62.862 1.00 32.67 C ATOM 269 N ALA 46 25.251 24.330 60.232 1.00 24.84 N ATOM 270 CA ALA 46 24.700 24.077 58.900 1.00 22.97 C ATOM 271 C ALA 46 25.766 23.568 57.930 1.00 21.74 C ATOM 272 O ALA 46 25.600 22.534 57.302 1.00 24.87 O ATOM 273 CB ALA 46 24.052 25.332 58.374 1.00 19.48 C ATOM 274 N GLY 47 26.892 24.259 57.869 1.00 24.91 N ATOM 275 CA GLY 47 27.969 23.849 56.988 1.00 29.38 C ATOM 276 C GLY 47 28.470 22.430 57.197 1.00 30.59 C ATOM 277 O GLY 47 28.355 21.597 56.301 1.00 31.89 O ATOM 278 N SER 48 29.032 22.145 58.367 1.00 33.21 N ATOM 279 CA SER 48 29.554 20.805 58.646 1.00 34.06 C ATOM 280 C SER 48 28.474 19.730 58.547 1.00 30.83 C ATOM 281 O SER 48 28.726 18.643 58.015 1.00 27.90 O ATOM 282 CB SER 48 30.208 20.770 60.016 1.00 33.73 C ATOM 283 OG SER 48 30.715 22.053 60.302 1.00 43.82 O ATOM 284 N ALA 49 27.284 20.017 59.076 1.00 28.17 N ATOM 285 CA ALA 49 26.187 19.064 58.984 1.00 26.82 C ATOM 286 C ALA 49 26.024 18.737 57.477 1.00 28.74 C ATOM 287 O ALA 49 26.170 17.573 57.086 1.00 34.34 O ATOM 288 CB ALA 49 24.896 19.656 59.572 1.00 24.40 C ATOM 289 N CYS 50 25.848 19.762 56.633 1.00 21.90 N ATOM 290 CA CYS 50 25.709 19.557 55.194 1.00 21.11 C ATOM 291 C CYS 50 26.819 18.677 54.660 1.00 23.36 C ATOM 292 O CYS 50 26.561 17.744 53.899 1.00 26.19 O ATOM 293 CB CYS 50 25.729 20.877 54.447 1.00 16.95 C ATOM 294 SG CYS 50 24.160 21.772 54.528 1.00 18.94 S ATOM 295 N ALA 51 28.046 18.926 55.105 1.00 24.63 N ATOM 296 CA ALA 51 29.189 18.142 54.643 1.00 27.90 C ATOM 297 C ALA 51 29.126 16.701 55.125 1.00 29.81 C ATOM 298 O ALA 51 29.558 15.781 54.426 1.00 33.89 O ATOM 299 CB ALA 51 30.492 18.787 55.075 1.00 24.85 C ATOM 300 N ASP 52 28.570 16.508 56.311 1.00 28.07 N ATOM 301 CA ASP 52 28.449 15.183 56.884 1.00 28.44 C ATOM 302 C ASP 52 27.495 14.357 56.041 1.00 28.34 C ATOM 303 O ASP 52 27.742 13.186 55.738 1.00 28.45 O ATOM 304 CB ASP 52 27.904 15.281 58.314 1.00 35.59 C ATOM 305 CG ASP 52 28.977 15.610 59.343 1.00 34.58 C ATOM 306 OD1 ASP 52 30.110 15.954 58.938 1.00 31.80 O ATOM 307 OD2 ASP 52 28.677 15.508 60.558 1.00 31.17 O ATOM 308 N LEU 53 26.382 14.968 55.677 1.00 26.95 N ATOM 309 CA LEU 53 25.393 14.275 54.881 1.00 26.90 C ATOM 310 C LEU 53 25.910 13.963 53.477 1.00 24.08 C ATOM 311 O LEU 53 25.813 12.827 53.015 1.00 24.04 O ATOM 312 CB LEU 53 24.111 15.102 54.816 1.00 26.75 C ATOM 313 CG LEU 53 23.385 15.199 56.153 1.00 24.04 C ATOM 314 CD1 LEU 53 22.314 16.271 56.059 1.00 26.01 C ATOM 315 CD2 LEU 53 22.799 13.830 56.530 1.00 20.95 C ATOM 316 N ALA 54 26.490 14.964 52.827 1.00 22.51 N ATOM 317 CA ALA 54 27.010 14.815 51.477 1.00 24.21 C ATOM 318 C ALA 54 27.968 13.655 51.412 1.00 27.16 C ATOM 319 O ALA 54 27.799 12.752 50.609 1.00 29.35 O ATOM 320 CB ALA 54 27.702 16.077 51.045 1.00 26.68 C ATOM 321 N ALA 55 28.937 13.644 52.312 1.00 30.18 N ATOM 322 CA ALA 55 29.908 12.578 52.336 1.00 28.62 C ATOM 323 C ALA 55 29.265 11.203 52.381 1.00 28.34 C ATOM 324 O ALA 55 29.704 10.288 51.713 1.00 36.78 O ATOM 325 CB ALA 55 30.828 12.755 53.508 1.00 29.25 C ATOM 326 N VAL 56 28.202 11.055 53.144 1.00 31.52 N ATOM 327 CA VAL 56 27.570 9.753 53.281 1.00 32.47 C ATOM 328 C VAL 56 26.507 9.518 52.219 1.00 34.44 C ATOM 329 O VAL 56 25.790 8.510 52.236 1.00 36.90 O ATOM 330 CB VAL 56 27.002 9.588 54.721 1.00 32.86 C ATOM 331 CG1 VAL 56 25.503 9.861 54.778 1.00 26.32 C ATOM 332 CG2 VAL 56 27.367 8.228 55.273 1.00 36.55 C ATOM 333 N GLY 57 26.383 10.483 51.317 1.00 34.66 N ATOM 334 CA GLY 57 25.423 10.374 50.236 1.00 31.48 C ATOM 335 C GLY 57 23.994 10.543 50.677 1.00 33.25 C ATOM 336 O GLY 57 23.095 9.994 50.045 1.00 33.15 O ATOM 337 N GLY 58 23.789 11.325 51.738 1.00 33.58 N ATOM 338 CA GLY 58 22.459 11.575 52.263 1.00 30.47 C ATOM 339 C GLY 58 21.925 10.390 53.042 1.00 33.90 C ATOM 340 O GLY 58 20.832 10.455 53.616 1.00 39.21 O ATOM 341 N ASP 59 22.694 9.304 53.080 1.00 34.30 N ATOM 342 CA ASP 59 22.282 8.114 53.795 1.00 32.86 C ATOM 343 C ASP 59 22.558 8.254 55.278 1.00 33.63 C ATOM 344 O ASP 59 23.652 7.926 55.751 1.00 29.91 O ATOM 345 CB ASP 59 23.009 6.889 53.260 1.00 36.60 C ATOM 346 CG ASP 59 22.401 5.582 53.749 1.00 39.56 C ATOM 347 OD1 ASP 59 21.421 5.613 54.520 1.00 47.29 O ATOM 348 OD2 ASP 59 22.894 4.509 53.346 1.00 46.20 O ATOM 349 N LEU 60 21.546 8.724 56.005 1.00 34.78 N ATOM 350 CA LEU 60 21.622 8.901 57.457 1.00 33.74 C ATOM 351 C LEU 60 22.157 7.650 58.144 1.00 32.76 C ATOM 352 O LEU 60 23.121 7.710 58.919 1.00 34.36 O ATOM 353 CB LEU 60 20.242 9.225 58.033 1.00 26.46 C ATOM 354 CG LEU 60 19.818 10.686 58.205 1.00 26.66 C ATOM 355 CD1 LEU 60 21.026 11.524 58.602 1.00 27.94 C ATOM 356 CD2 LEU 60 19.182 11.224 56.969 1.00 22.45 C ATOM 357 N ASN 61 21.573 6.509 57.797 1.00 32.13 N ATOM 358 CA ASN 61 21.965 5.237 58.382 1.00 34.19 C ATOM 359 C ASN 61 23.432 4.853 58.264 1.00 33.97 C ATOM 360 O ASN 61 23.878 3.970 58.980 1.00 39.55 O ATOM 361 CB ASN 61 21.101 4.110 57.830 1.00 38.43 C ATOM 362 CG ASN 61 20.101 3.591 58.843 1.00 44.51 C ATOM 363 OD1 ASN 61 19.221 2.807 58.504 1.00 48.91 O ATOM 364 ND2 ASN 61 20.233 4.015 60.093 1.00 48.44 N ATOM 365 N ALA 62 24.177 5.505 57.378 1.00 32.79 N ATOM 366 CA ALA 62 25.587 5.192 57.194 1.00 29.71 C ATOM 367 C ALA 62 26.540 6.139 57.903 1.00 32.40 C ATOM 368 O ALA 62 27.751 6.084 57.686 1.00 31.71 O ATOM 369 CB ALA 62 25.914 5.132 55.729 1.00 35.77 C ATOM 370 N LEU 63 25.995 7.060 58.689 1.00 37.53 N ATOM 371 CA LEU 63 26.818 7.991 59.463 1.00 40.72 C ATOM 372 C LEU 63 27.508 7.166 60.557 1.00 43.26 C ATOM 373 O LEU 63 26.836 6.465 61.319 1.00 44.62 O ATOM 374 CB LEU 63 25.936 9.088 60.076 1.00 35.69 C ATOM 375 CG LEU 63 25.679 10.214 59.076 1.00 35.43 C ATOM 376 CD1 LEU 63 24.475 11.039 59.423 1.00 37.26 C ATOM 377 CD2 LEU 63 26.908 11.075 58.997 1.00 34.68 C ATOM 378 N THR 64 28.838 7.211 60.615 1.00 45.71 N ATOM 379 CA THR 64 29.564 6.430 61.614 1.00 48.92 C ATOM 380 C THR 64 29.733 7.033 62.998 1.00 51.21 C ATOM 381 O THR 64 29.699 8.257 63.187 1.00 49.14 O ATOM 382 CB THR 64 30.968 5.974 61.128 1.00 50.41 C ATOM 383 OG1 THR 64 31.642 7.047 60.444 1.00 48.19 O ATOM 384 CG2 THR 64 30.846 4.730 60.251 1.00 52.68 C ATOM 385 N ARG 65 29.950 6.128 63.951 1.00 54.33 N ATOM 386 CA ARG 65 30.165 6.445 65.354 1.00 53.92 C ATOM 387 C ARG 65 31.671 6.601 65.582 1.00 54.72 C ATOM 388 O ARG 65 32.444 5.671 65.333 1.00 53.95 O ATOM 389 CB ARG 65 29.586 5.316 66.202 1.00 50.99 C ATOM 390 CG ARG 65 29.997 5.300 67.656 1.00 58.96 C ATOM 391 CD ARG 65 29.620 6.558 68.403 1.00 60.40 C ATOM 392 NE ARG 65 29.653 6.374 69.858 1.00 65.22 N ATOM 393 CZ ARG 65 30.719 6.008 70.575 1.00 67.78 C ATOM 394 NH1 ARG 65 31.897 5.771 69.997 1.00 64.35 N ATOM 395 NH2 ARG 65 30.606 5.890 71.894 1.00 65.44 N ATOM 396 N GLY 66 32.077 7.798 66.006 1.00 56.01 N ATOM 397 CA GLY 66 33.481 8.092 66.252 1.00 59.91 C ATOM 398 C GLY 66 34.142 7.145 67.239 1.00 63.11 C ATOM 399 O GLY 66 33.927 7.251 68.448 1.00 61.88 O ATOM 400 N GLU 67 34.967 6.238 66.713 1.00 65.18 N ATOM 401 CA GLU 67 35.677 5.234 67.512 1.00 64.02 C ATOM 402 C GLU 67 36.301 5.745 68.803 1.00 60.92 C ATOM 403 O GLU 67 36.246 5.066 69.826 1.00 57.70 O ATOM 404 CB GLU 67 36.740 4.521 66.665 1.00 66.33 C ATOM 405 CG GLU 67 36.310 3.151 66.119 1.00 72.27 C ATOM 406 CD GLU 67 36.186 2.071 67.210 1.00 75.76 C ATOM 407 OE1 GLU 67 37.227 1.477 67.584 1.00 76.63 O ATOM 408 OE2 GLU 67 35.052 1.804 67.679 1.00 73.61 O ATOM 409 N ASP 68 36.900 6.929 68.749 1.00 61.51 N ATOM 410 CA ASP 68 37.528 7.501 69.933 1.00 65.37 C ATOM 411 C ASP 68 36.533 8.160 70.900 1.00 64.57 C ATOM 412 O ASP 68 36.791 8.200 72.103 1.00 66.85 O ATOM 413 CB ASP 68 38.668 8.472 69.551 1.00 69.18 C ATOM 414 CG ASP 68 38.259 9.950 69.635 1.00 75.10 C ATOM 415 OD1 ASP 68 38.286 10.528 70.753 1.00 75.18 O ATOM 416 OD2 ASP 68 37.933 10.536 68.577 1.00 76.85 O ATOM 417 N VAL 69 35.414 8.674 70.382 1.00 60.96 N ATOM 418 CA VAL 69 34.403 9.327 71.219 1.00 56.51 C ATOM 419 C VAL 69 33.934 8.361 72.311 1.00 55.71 C ATOM 420 O VAL 69 33.524 7.226 72.036 1.00 54.42 O ATOM 421 CB VAL 69 33.204 9.849 70.376 1.00 56.67 C ATOM 422 CG1 VAL 69 32.060 8.862 70.364 1.00 52.63 C ATOM 423 CG2 VAL 69 32.736 11.198 70.895 1.00 58.98 C ATOM 424 N MET 70 34.044 8.805 73.559 1.00 54.98 N ATOM 425 CA MET 70 33.680 7.980 74.710 1.00 50.56 C ATOM 426 C MET 70 32.503 8.609 75.428 1.00 45.72 C ATOM 427 O MET 70 32.505 9.813 75.712 1.00 45.98 O ATOM 428 CB MET 70 34.869 7.856 75.650 1.00 52.98 C ATOM 429 CG MET 70 36.224 8.254 75.027 1.00 58.51 C ATOM 430 SD MET 70 36.406 10.054 74.632 1.00 62.07 S ATOM 431 CE MET 70 38.096 10.102 73.879 1.00 55.47 C ATOM 432 N CYS 71 31.486 7.791 75.685 1.00 41.85 N ATOM 433 CA CYS 71 30.255 8.238 76.334 1.00 35.07 C ATOM 434 C CYS 71 30.011 7.432 77.579 1.00 32.24 C ATOM 435 O CYS 71 30.329 6.248 77.617 1.00 34.25 O ATOM 436 CB CYS 71 29.054 8.005 75.413 1.00 32.60 C ATOM 437 SG CYS 71 28.805 9.205 74.077 1.00 26.43 S ATOM 438 N PRO 72 29.464 8.063 78.626 1.00 33.44 N ATOM 439 CA PRO 72 29.154 7.398 79.910 1.00 32.37 C ATOM 440 C PRO 72 28.050 6.372 79.652 1.00 31.86 C ATOM 441 O PRO 72 27.213 6.571 78.765 1.00 33.99 O ATOM 442 CB PRO 72 28.635 8.544 80.774 1.00 35.78 C ATOM 443 CG PRO 72 29.370 9.752 80.217 1.00 37.03 C ATOM 444 CD PRO 72 29.301 9.524 78.722 1.00 31.43 C ATOM 445 N MET 73 28.045 5.276 80.400 1.00 28.83 N ATOM 446 CA MET 73 27.044 4.236 80.193 1.00 25.71 C ATOM 447 C MET 73 25.686 4.503 80.834 1.00 23.84 C ATOM 448 O MET 73 25.252 3.774 81.715 1.00 24.48 O ATOM 449 CB MET 73 27.571 2.866 80.636 1.00 30.91 C ATOM 450 CG MET 73 28.763 2.324 79.844 1.00 37.88 C ATOM 451 SD MET 73 28.390 1.986 78.106 1.00 44.72 S ATOM 452 CE MET 73 30.023 1.723 77.462 1.00 46.11 C ATOM 453 N VAL 74 25.009 5.548 80.385 1.00 22.41 N ATOM 454 CA VAL 74 23.682 5.868 80.895 1.00 21.99 C ATOM 455 C VAL 74 22.660 5.253 79.945 1.00 20.70 C ATOM 456 O VAL 74 22.997 4.911 78.826 1.00 26.70 O ATOM 457 CB VAL 74 23.457 7.388 80.885 1.00 21.05 C ATOM 458 CG1 VAL 74 22.012 7.730 81.223 1.00 21.70 C ATOM 459 CG2 VAL 74 24.406 8.065 81.859 1.00 26.78 C ATOM 460 N TYR 75 21.450 5.001 80.414 1.00 20.79 N ATOM 461 CA TYR 75 20.406 4.529 79.524 1.00 21.34 C ATOM 462 C TYR 75 19.259 5.525 79.673 1.00 21.69 C ATOM 463 O TYR 75 18.337 5.322 80.444 1.00 22.27 O ATOM 464 CB TYR 75 19.943 3.110 79.817 1.00 19.99 C ATOM 465 CG TYR 75 18.782 2.712 78.920 1.00 25.95 C ATOM 466 CD1 TYR 75 18.983 2.357 77.585 1.00 26.06 C ATOM 467 CD2 TYR 75 17.472 2.784 79.381 1.00 27.37 C ATOM 468 CE1 TYR 75 17.904 2.102 76.734 1.00 22.50 C ATOM 469 CE2 TYR 75 16.395 2.526 78.547 1.00 27.16 C ATOM 470 CZ TYR 75 16.613 2.192 77.227 1.00 29.25 C ATOM 471 OH TYR 75 15.515 1.995 76.412 1.00 30.44 O ATOM 472 N ASP 76 19.341 6.605 78.912 1.00 19.58 N ATOM 473 CA ASP 76 18.369 7.681 78.930 1.00 18.76 C ATOM 474 C ASP 76 18.103 7.915 77.417 1.00 25.73 C ATOM 475 O ASP 76 18.643 8.856 76.821 1.00 27.03 O ATOM 476 CB ASP 76 19.093 8.869 79.569 1.00 14.57 C ATOM 477 CG ASP 76 18.187 10.037 79.869 1.00 17.42 C ATOM 478 OD1 ASP 76 16.949 9.870 79.856 1.00 16.61 O ATOM 479 OD2 ASP 76 18.736 11.136 80.129 1.00 19.95 O ATOM 480 N PRO 77 17.242 7.080 76.789 1.00 28.56 N ATOM 481 CA PRO 77 16.919 7.168 75.361 1.00 28.21 C ATOM 482 C PRO 77 16.472 8.518 74.847 1.00 28.25 C ATOM 483 O PRO 77 15.817 9.289 75.547 1.00 31.87 O ATOM 484 CB PRO 77 15.826 6.124 75.187 1.00 28.59 C ATOM 485 CG PRO 77 16.056 5.192 76.292 1.00 29.98 C ATOM 486 CD PRO 77 16.323 6.129 77.426 1.00 28.09 C ATOM 487 N VAL 78 16.794 8.747 73.580 1.00 30.50 N ATOM 488 CA VAL 78 16.487 9.976 72.871 1.00 28.31 C ATOM 489 C VAL 78 16.113 9.600 71.420 1.00 28.49 C ATOM 490 O VAL 78 16.825 8.839 70.757 1.00 24.77 O ATOM 491 CB VAL 78 17.729 10.917 72.913 1.00 27.45 C ATOM 492 CG1 VAL 78 18.707 10.605 71.798 1.00 15.85 C ATOM 493 CG2 VAL 78 17.310 12.364 72.924 1.00 27.74 C ATOM 494 N LEU 79 14.937 10.035 70.981 1.00 26.93 N ATOM 495 CA LEU 79 14.485 9.758 69.631 1.00 26.12 C ATOM 496 C LEU 79 14.889 10.879 68.686 1.00 28.09 C ATOM 497 O LEU 79 14.587 12.062 68.930 1.00 28.42 O ATOM 498 CB LEU 79 12.958 9.577 69.559 1.00 24.51 C ATOM 499 CG LEU 79 12.438 9.378 68.114 1.00 23.40 C ATOM 500 CD1 LEU 79 12.701 7.964 67.626 1.00 21.63 C ATOM 501 CD2 LEU 79 10.953 9.671 68.012 1.00 25.90 C ATOM 502 N LEU 80 15.579 10.506 67.614 1.00 24.96 N ATOM 503 CA LEU 80 15.985 11.469 66.599 1.00 24.24 C ATOM 504 C LEU 80 15.163 11.241 65.346 1.00 21.24 C ATOM 505 O LEU 80 15.054 10.102 64.907 1.00 20.69 O ATOM 506 CB LEU 80 17.456 11.302 66.222 1.00 19.66 C ATOM 507 CG LEU 80 17.789 12.062 64.934 1.00 18.96 C ATOM 508 CD1 LEU 80 18.309 13.483 65.198 1.00 14.75 C ATOM 509 CD2 LEU 80 18.777 11.256 64.155 1.00 17.48 C ATOM 510 N THR 81 14.526 12.294 64.830 1.00 19.81 N ATOM 511 CA THR 81 13.788 12.193 63.571 1.00 18.57 C ATOM 512 C THR 81 14.365 13.195 62.559 1.00 20.42 C ATOM 513 O THR 81 14.882 14.256 62.942 1.00 16.89 O ATOM 514 CB THR 81 12.310 12.497 63.705 1.00 15.77 C ATOM 515 OG1 THR 81 12.122 13.895 63.945 1.00 15.51 O ATOM 516 CG2 THR 81 11.687 11.678 64.793 1.00 22.87 C ATOM 517 N VAL 82 14.286 12.835 61.277 1.00 21.67 N ATOM 518 CA VAL 82 14.751 13.666 60.154 1.00 20.92 C ATOM 519 C VAL 82 13.777 13.502 58.981 1.00 17.51 C ATOM 520 O VAL 82 13.549 12.390 58.506 1.00 18.69 O ATOM 521 CB VAL 82 16.149 13.258 59.637 1.00 20.36 C ATOM 522 CG1 VAL 82 16.560 14.208 58.486 1.00 14.25 C ATOM 523 CG2 VAL 82 17.170 13.273 60.768 1.00 12.56 C ATOM 524 N ASP 83 13.222 14.608 58.514 1.00 14.81 N ATOM 525 CA ASP 83 12.268 14.590 57.417 1.00 17.03 C ATOM 526 C ASP 83 12.576 15.666 56.396 1.00 18.01 C ATOM 527 O ASP 83 13.254 16.639 56.704 1.00 19.67 O ATOM 528 CB ASP 83 10.858 14.790 57.950 1.00 16.77 C ATOM 529 CG ASP 83 10.433 13.682 58.873 1.00 22.12 C ATOM 530 OD1 ASP 83 10.212 12.554 58.393 1.00 26.93 O ATOM 531 OD2 ASP 83 10.324 13.936 60.088 1.00 29.80 O ATOM 532 N GLY 84 12.091 15.477 55.174 1.00 22.15 N ATOM 533 CA GLY 84 12.325 16.455 54.123 1.00 25.51 C ATOM 534 C GLY 84 12.871 15.851 52.843 1.00 27.95 C ATOM 535 O GLY 84 12.565 14.697 52.508 1.00 26.45 O ATOM 536 N VAL 85 13.707 16.611 52.140 1.00 27.43 N ATOM 537 CA VAL 85 14.282 16.143 50.883 1.00 25.52 C ATOM 538 C VAL 85 15.792 16.241 50.829 1.00 23.61 C ATOM 539 O VAL 85 16.351 17.255 51.244 1.00 20.31 O ATOM 540 CB VAL 85 13.722 16.957 49.698 1.00 24.74 C ATOM 541 CG1 VAL 85 12.227 16.725 49.569 1.00 28.01 C ATOM 542 CG2 VAL 85 13.941 18.427 49.941 1.00 30.21 C ATOM 543 N TRP 86 16.453 15.165 50.396 1.00 18.78 N ATOM 544 CA TRP 86 17.900 15.199 50.220 1.00 20.37 C ATOM 545 C TRP 86 18.204 14.985 48.742 1.00 24.26 C ATOM 546 O TRP 86 18.022 13.873 48.232 1.00 24.08 O ATOM 547 CB TRP 86 18.636 14.126 51.012 1.00 19.06 C ATOM 548 CG TRP 86 20.110 14.268 50.805 1.00 13.44 C ATOM 549 CD1 TRP 86 20.912 13.517 49.997 1.00 14.71 C ATOM 550 CD2 TRP 86 20.938 15.271 51.370 1.00 19.06 C ATOM 551 NE1 TRP 86 22.200 13.988 50.026 1.00 11.69 N ATOM 552 CE2 TRP 86 22.244 15.067 50.863 1.00 16.01 C ATOM 553 CE3 TRP 86 20.709 16.337 52.253 1.00 21.71 C ATOM 554 CZ2 TRP 86 23.316 15.890 51.221 1.00 23.52 C ATOM 555 CZ3 TRP 86 21.778 17.163 52.609 1.00 22.67 C ATOM 556 CH2 TRP 86 23.063 16.935 52.095 1.00 28.53 C ATOM 557 N GLN 87 18.682 16.034 48.066 1.00 23.58 N ATOM 558 CA GLN 87 18.995 15.973 46.638 1.00 27.15 C ATOM 559 C GLN 87 17.834 15.429 45.803 1.00 25.38 C ATOM 560 O GLN 87 17.974 14.430 45.098 1.00 27.13 O ATOM 561 CB GLN 87 20.265 15.152 46.374 1.00 28.07 C ATOM 562 CG GLN 87 21.522 15.998 46.252 1.00 43.04 C ATOM 563 CD GLN 87 22.800 15.162 46.203 1.00 52.53 C ATOM 564 OE1 GLN 87 23.595 15.151 47.159 1.00 59.86 O ATOM 565 NE2 GLN 87 22.999 14.446 45.100 1.00 50.03 N ATOM 566 N GLY 88 16.677 16.060 45.933 1.00 21.48 N ATOM 567 CA GLY 88 15.520 15.651 45.167 1.00 20.36 C ATOM 568 C GLY 88 14.817 14.387 45.603 1.00 21.32 C ATOM 569 O GLY 88 13.785 14.018 45.033 1.00 21.07 O ATOM 570 N LYS 89 15.359 13.705 46.602 1.00 22.26 N ATOM 571 CA LYS 89 14.725 12.489 47.081 1.00 22.52 C ATOM 572 C LYS 89 14.134 12.694 48.484 1.00 22.57 C ATOM 573 O LYS 89 14.793 13.255 49.362 1.00 23.93 O ATOM 574 CB LYS 89 15.748 11.381 47.109 1.00 21.17 C ATOM 575 CG LYS 89 15.166 10.022 47.323 1.00 26.00 C ATOM 576 CD LYS 89 16.251 9.094 47.832 1.00 38.66 C ATOM 577 CE LYS 89 17.646 9.518 47.331 1.00 47.89 C ATOM 578 NZ LYS 89 17.787 9.594 45.835 1.00 53.30 N ATOM 579 N ARG 90 12.896 12.243 48.684 1.00 21.99 N ATOM 580 CA ARG 90 12.215 12.373 49.972 1.00 22.45 C ATOM 581 C ARG 90 12.880 11.530 51.051 1.00 25.90 C ATOM 582 O ARG 90 13.235 10.361 50.824 1.00 24.09 O ATOM 583 CB ARG 90 10.740 12.003 49.855 1.00 19.05 C ATOM 584 CG ARG 90 10.039 12.895 48.891 1.00 21.50 C ATOM 585 CD ARG 90 8.551 12.802 48.954 1.00 25.06 C ATOM 586 NE ARG 90 8.009 14.059 48.452 1.00 29.24 N ATOM 587 CZ ARG 90 7.047 14.158 47.551 1.00 32.30 C ATOM 588 NH1 ARG 90 6.478 13.065 47.073 1.00 40.64 N ATOM 589 NH2 ARG 90 6.638 15.352 47.145 1.00 35.54 N ATOM 590 N VAL 91 13.052 12.154 52.216 1.00 26.20 N ATOM 591 CA VAL 91 13.691 11.557 53.384 1.00 24.37 C ATOM 592 C VAL 91 12.691 11.438 54.537 1.00 22.80 C ATOM 593 O VAL 91 11.840 12.302 54.712 1.00 27.43 O ATOM 594 CB VAL 91 14.868 12.423 53.818 1.00 23.18 C ATOM 595 CG1 VAL 91 15.320 12.049 55.202 1.00 31.65 C ATOM 596 CG2 VAL 91 16.005 12.251 52.854 1.00 24.91 C ATOM 597 N SER 92 12.739 10.333 55.264 1.00 19.56 N ATOM 598 CA SER 92 11.856 10.122 56.414 1.00 23.18 C ATOM 599 C SER 92 12.555 9.069 57.244 1.00 25.89 C ATOM 600 O SER 92 12.437 7.872 56.958 1.00 29.05 O ATOM 601 CB SER 92 10.499 9.612 55.969 1.00 24.02 C ATOM 602 OG SER 92 9.506 9.993 56.902 1.00 30.75 O ATOM 603 N TYR 93 13.299 9.532 58.250 1.00 25.68 N ATOM 604 CA TYR 93 14.125 8.684 59.118 1.00 26.84 C ATOM 605 C TYR 93 13.962 9.004 60.611 1.00 30.62 C ATOM 606 O TYR 93 13.634 10.124 61.001 1.00 31.82 O ATOM 607 CB TYR 93 15.582 8.903 58.689 1.00 23.85 C ATOM 608 CG TYR 93 16.668 8.238 59.482 1.00 23.28 C ATOM 609 CD1 TYR 93 17.056 6.928 59.207 1.00 25.26 C ATOM 610 CD2 TYR 93 17.418 8.961 60.414 1.00 24.91 C ATOM 611 CE1 TYR 93 18.180 6.347 59.830 1.00 18.14 C ATOM 612 CE2 TYR 93 18.546 8.393 61.036 1.00 21.84 C ATOM 613 CZ TYR 93 18.912 7.085 60.731 1.00 20.79 C ATOM 614 OH TYR 93 20.029 6.532 61.306 1.00 26.11 O ATOM 615 N GLU 94 14.134 7.994 61.446 1.00 31.18 N ATOM 616 CA GLU 94 14.039 8.193 62.873 1.00 30.08 C ATOM 617 C GLU 94 14.777 7.060 63.503 1.00 29.58 C ATOM 618 O GLU 94 14.703 5.939 63.010 1.00 29.18 O ATOM 619 CB GLU 94 12.596 8.242 63.349 1.00 30.62 C ATOM 620 CG GLU 94 11.871 6.950 63.456 1.00 30.40 C ATOM 621 CD GLU 94 10.467 7.174 64.005 1.00 35.38 C ATOM 622 OE1 GLU 94 9.750 8.031 63.435 1.00 33.69 O ATOM 623 OE2 GLU 94 10.090 6.524 65.013 1.00 34.49 O ATOM 624 N ARG 95 15.537 7.374 64.548 1.00 28.23 N ATOM 625 CA ARG 95 16.349 6.387 65.252 1.00 28.87 C ATOM 626 C ARG 95 16.399 6.727 66.742 1.00 26.61 C ATOM 627 O ARG 95 16.405 7.899 67.113 1.00 27.79 O ATOM 628 CB ARG 95 17.753 6.428 64.672 1.00 23.07 C ATOM 629 CG ARG 95 18.671 5.324 65.095 1.00 28.42 C ATOM 630 CD ARG 95 20.062 5.738 64.679 1.00 36.29 C ATOM 631 NE ARG 95 21.098 4.738 64.906 1.00 42.05 N ATOM 632 CZ ARG 95 22.194 4.641 64.160 1.00 45.68 C ATOM 633 NH1 ARG 95 22.368 5.453 63.124 1.00 46.42 N ATOM 634 NH2 ARG 95 23.102 3.715 64.429 1.00 54.34 N ATOM 635 N VAL 96 16.383 5.709 67.595 1.00 28.45 N ATOM 636 CA VAL 96 16.456 5.943 69.037 1.00 24.78 C ATOM 637 C VAL 96 17.875 5.656 69.469 1.00 21.93 C ATOM 638 O VAL 96 18.443 4.644 69.085 1.00 22.98 O ATOM 639 CB VAL 96 15.483 5.039 69.870 1.00 25.90 C ATOM 640 CG1 VAL 96 14.084 5.126 69.329 1.00 21.20 C ATOM 641 CG2 VAL 96 15.948 3.590 69.892 1.00 26.65 C ATOM 642 N PHE 97 18.478 6.607 70.159 1.00 22.01 N ATOM 643 CA PHE 97 19.825 6.439 70.678 1.00 26.96 C ATOM 644 C PHE 97 19.742 6.120 72.179 1.00 28.73 C ATOM 645 O PHE 97 18.733 6.432 72.825 1.00 28.40 O ATOM 646 CB PHE 97 20.628 7.702 70.415 1.00 25.47 C ATOM 647 CG PHE 97 20.909 7.917 68.970 1.00 28.68 C ATOM 648 CD1 PHE 97 19.962 8.512 68.150 1.00 28.33 C ATOM 649 CD2 PHE 97 22.111 7.485 68.410 1.00 28.12 C ATOM 650 CE1 PHE 97 20.206 8.672 66.804 1.00 23.21 C ATOM 651 CE2 PHE 97 22.354 7.645 67.062 1.00 23.53 C ATOM 652 CZ PHE 97 21.402 8.240 66.262 1.00 21.95 C ATOM 653 N SER 98 20.777 5.479 72.725 1.00 30.73 N ATOM 654 CA SER 98 20.788 5.108 74.147 1.00 26.95 C ATOM 655 C SER 98 20.864 6.333 75.026 1.00 27.34 C ATOM 656 O SER 98 20.390 6.317 76.154 1.00 29.76 O ATOM 657 CB SER 98 21.946 4.155 74.468 1.00 23.66 C ATOM 658 OG SER 98 23.206 4.761 74.255 1.00 26.07 O ATOM 659 N ASN 99 21.427 7.407 74.486 1.00 31.19 N ATOM 660 CA ASN 99 21.571 8.666 75.215 1.00 37.00 C ATOM 661 C ASN 99 22.102 9.766 74.273 1.00 36.27 C ATOM 662 O ASN 99 22.773 9.460 73.298 1.00 37.76 O ATOM 663 CB ASN 99 22.508 8.461 76.435 1.00 37.95 C ATOM 664 CG ASN 99 23.856 7.829 76.063 1.00 38.54 C ATOM 665 OD1 ASN 99 24.777 8.523 75.651 1.00 42.38 O ATOM 666 ND2 ASN 99 23.975 6.521 76.231 1.00 38.37 N ATOM 667 N GLU 100 21.808 11.034 74.549 1.00 36.52 N ATOM 668 CA GLU 100 22.287 12.133 73.694 1.00 38.65 C ATOM 669 C GLU 100 23.772 12.069 73.293 1.00 39.24 C ATOM 670 O GLU 100 24.122 12.322 72.149 1.00 43.98 O ATOM 671 CB GLU 100 21.999 13.505 74.322 1.00 36.64 C ATOM 672 CG GLU 100 20.536 13.921 74.250 1.00 50.43 C ATOM 673 CD GLU 100 20.310 15.432 74.388 1.00 55.27 C ATOM 674 OE1 GLU 100 21.172 16.221 73.925 1.00 59.12 O ATOM 675 OE2 GLU 100 19.248 15.828 74.937 1.00 56.88 O ATOM 676 N CYS 101 24.637 11.714 74.227 1.00 36.09 N ATOM 677 CA CYS 101 26.066 11.634 73.964 1.00 32.89 C ATOM 678 C CYS 101 26.343 10.679 72.837 1.00 30.49 C ATOM 679 O CYS 101 27.321 10.827 72.108 1.00 32.44 O ATOM 680 CB CYS 101 26.803 11.157 75.223 1.00 36.03 C ATOM 681 SG CYS 101 28.606 10.961 75.058 1.00 32.84 S ATOM 682 N GLU 102 25.499 9.666 72.750 1.00 28.80 N ATOM 683 CA GLU 102 25.596 8.640 71.731 1.00 31.44 C ATOM 684 C GLU 102 25.092 9.197 70.402 1.00 32.70 C ATOM 685 O GLU 102 25.675 8.952 69.337 1.00 37.83 O ATOM 686 CB GLU 102 24.744 7.448 72.133 1.00 28.38 C ATOM 687 CG GLU 102 25.339 6.155 71.736 1.00 35.92 C ATOM 688 CD GLU 102 26.507 5.774 72.602 1.00 38.86 C ATOM 689 OE1 GLU 102 27.606 6.359 72.471 1.00 40.37 O ATOM 690 OE2 GLU 102 26.318 4.861 73.426 1.00 50.69 O ATOM 691 N MET 103 23.970 9.902 70.461 1.00 28.63 N ATOM 692 CA MET 103 23.398 10.517 69.279 1.00 24.56 C ATOM 693 C MET 103 24.415 11.468 68.671 1.00 23.84 C ATOM 694 O MET 103 24.752 11.364 67.496 1.00 25.09 O ATOM 695 CB MET 103 22.140 11.302 69.635 1.00 23.44 C ATOM 696 CG MET 103 21.623 12.103 68.466 1.00 28.06 C ATOM 697 SD MET 103 20.163 13.015 68.823 1.00 30.77 S ATOM 698 CE MET 103 20.847 14.392 69.818 1.00 32.10 C ATOM 699 N ASN 104 24.933 12.362 69.503 1.00 23.93 N ATOM 700 CA ASN 104 25.900 13.366 69.085 1.00 26.66 C ATOM 701 C ASN 104 27.229 12.764 68.655 1.00 25.95 C ATOM 702 O ASN 104 28.116 13.494 68.224 1.00 27.98 O ATOM 703 CB ASN 104 26.135 14.410 70.203 1.00 25.61 C ATOM 704 CG ASN 104 24.876 15.203 70.559 1.00 27.38 C ATOM 705 OD1 ASN 104 23.812 14.625 70.765 1.00 31.79 O ATOM 706 ND2 ASN 104 25.002 16.531 70.658 1.00 31.15 N ATOM 707 N ALA 105 27.370 11.448 68.787 1.00 27.34 N ATOM 708 CA ALA 105 28.609 10.762 68.411 1.00 30.56 C ATOM 709 C ALA 105 28.533 10.138 67.032 1.00 33.09 C ATOM 710 O ALA 105 29.499 9.530 66.579 1.00 34.56 O ATOM 711 CB ALA 105 28.970 9.699 69.432 1.00 28.49 C ATOM 712 N HIS 106 27.360 10.199 66.414 1.00 31.99 N ATOM 713 CA HIS 106 27.169 9.665 65.075 1.00 37.67 C ATOM 714 C HIS 106 27.283 10.840 64.108 1.00 40.89 C ATOM 715 O HIS 106 26.380 11.684 64.009 1.00 41.73 O ATOM 716 CB HIS 106 25.807 8.985 64.953 1.00 38.14 C ATOM 717 CG HIS 106 25.766 7.614 65.546 1.00 40.16 C ATOM 718 ND1 HIS 106 25.291 7.362 66.816 1.00 46.68 N ATOM 719 CD2 HIS 106 26.095 6.410 65.025 1.00 42.59 C ATOM 720 CE1 HIS 106 25.319 6.061 67.044 1.00 44.93 C ATOM 721 NE2 HIS 106 25.804 5.460 65.974 1.00 42.77 N ATOM 722 N GLY 107 28.409 10.906 63.408 1.00 44.64 N ATOM 723 CA GLY 107 28.632 12.010 62.495 1.00 47.30 C ATOM 724 C GLY 107 29.021 13.209 63.339 1.00 48.60 C ATOM 725 O GLY 107 28.328 13.563 64.303 1.00 51.47 O ATOM 726 N SER 108 30.113 13.856 62.971 1.00 42.11 N ATOM 727 CA SER 108 30.593 14.993 63.728 1.00 44.93 C ATOM 728 C SER 108 29.582 16.066 64.153 1.00 45.23 C ATOM 729 O SER 108 29.529 16.410 65.326 1.00 46.93 O ATOM 730 CB SER 108 31.744 15.649 62.975 1.00 45.44 C ATOM 731 OG SER 108 31.370 15.877 61.630 1.00 48.36 O ATOM 732 N SER 109 28.778 16.584 63.220 1.00 45.19 N ATOM 733 CA SER 109 27.845 17.663 63.547 1.00 42.64 C ATOM 734 C SER 109 26.404 17.603 63.042 1.00 42.21 C ATOM 735 O SER 109 25.626 18.535 63.287 1.00 40.41 O ATOM 736 CB SER 109 28.449 18.993 63.106 1.00 44.98 C ATOM 737 OG SER 109 29.780 19.137 63.582 1.00 50.46 O ATOM 738 N VAL 110 26.043 16.532 62.340 1.00 40.80 N ATOM 739 CA VAL 110 24.677 16.370 61.820 1.00 37.46 C ATOM 740 C VAL 110 23.660 16.466 62.969 1.00 37.53 C ATOM 741 O VAL 110 22.807 17.349 63.000 1.00 34.96 O ATOM 742 CB VAL 110 24.454 14.970 61.177 1.00 35.51 C ATOM 743 CG1 VAL 110 23.323 15.020 60.168 1.00 25.82 C ATOM 744 CG2 VAL 110 25.724 14.430 60.584 1.00 35.34 C ATOM 745 N PHE 111 23.809 15.565 63.933 1.00 38.42 N ATOM 746 CA PHE 111 22.925 15.470 65.080 1.00 36.08 C ATOM 747 C PHE 111 23.334 16.276 66.303 1.00 34.47 C ATOM 748 O PHE 111 22.633 16.279 67.298 1.00 38.76 O ATOM 749 CB PHE 111 22.765 14.002 65.445 1.00 34.80 C ATOM 750 CG PHE 111 22.322 13.148 64.291 1.00 36.55 C ATOM 751 CD1 PHE 111 21.547 13.695 63.268 1.00 32.50 C ATOM 752 CD2 PHE 111 22.689 11.807 64.217 1.00 31.87 C ATOM 753 CE1 PHE 111 21.151 12.918 62.195 1.00 29.91 C ATOM 754 CE2 PHE 111 22.293 11.017 63.143 1.00 30.94 C ATOM 755 CZ PHE 111 21.522 11.573 62.131 1.00 32.63 C ATOM 756 N ALA 112 24.469 16.945 66.250 1.00 32.63 N ATOM 757 CA ALA 112 24.892 17.748 67.383 1.00 32.89 C ATOM 758 C ALA 112 24.195 19.097 67.373 1.00 33.17 C ATOM 759 O ALA 112 24.760 20.098 66.929 1.00 37.48 O ATOM 760 CB ALA 112 26.399 17.931 67.381 1.00 38.99 C ATOM 761 N PHE 113 22.950 19.105 67.830 1.00 32.80 N ATOM 762 CA PHE 113 22.140 20.319 67.925 1.00 30.40 C ATOM 763 C PHE 113 21.219 20.150 69.163 1.00 31.65 C ATOM 764 O PHE 113 20.412 21.074 69.449 1.00 31.62 O ATOM 765 CB PHE 113 21.307 20.519 66.636 1.00 25.43 C ATOM 766 CG PHE 113 20.208 19.497 66.452 1.00 17.63 C ATOM 767 CD1 PHE 113 20.469 18.270 65.869 1.00 16.50 C ATOM 768 CD2 PHE 113 18.919 19.752 66.909 1.00 15.11 C ATOM 769 CE1 PHE 113 19.451 17.300 65.746 1.00 15.66 C ATOM 770 CE2 PHE 113 17.907 18.796 66.790 1.00 12.10 C ATOM 771 CZ PHE 113 18.175 17.573 66.212 1.00 8.19 C ATOM 772 OXT PHE 113 21.298 19.072 69.821 1.00 23.37 O TER 773 PHE 113 HETATM 774 O HOH 1 35.834 0.873 70.583 1.00 41.27 O HETATM 775 O HOH 2 26.370 14.835 65.507 1.00 48.47 O HETATM 776 O HOH 3 0.411 9.209 72.742 1.00 49.29 O HETATM 777 O HOH 4 19.915 23.459 68.646 1.00 46.86 O HETATM 778 O HOH 5 14.578 23.000 43.628 1.00 32.49 O HETATM 779 O HOH 6 15.904 1.571 73.010 1.00 57.10 O HETATM 780 O HOH 7 22.867 7.753 62.076 1.00 38.56 O HETATM 781 O HOH 8 14.308 9.210 78.158 1.00 21.29 O HETATM 782 O HOH 9 11.130 1.322 69.140 1.00 62.03 O HETATM 783 O HOH 10 7.119 9.896 55.933 1.00 48.76 O HETATM 784 O HOH 11 28.960 16.522 47.796 1.00 70.54 O HETATM 785 O HOH 12 20.877 23.095 38.348 1.00 40.61 O HETATM 786 O HOH 13 17.524 26.212 48.782 1.00 34.03 O HETATM 787 O HOH 14 23.047 28.261 58.485 1.00 44.88 O HETATM 788 O HOH 15 20.738 10.356 82.825 1.00 29.93 O HETATM 789 O HOH 16 21.624 30.983 57.881 1.00 68.27 O HETATM 790 O HOH 17 31.736 11.423 77.814 1.00 37.24 O HETATM 791 O HOH 18 16.385 22.910 48.396 1.00 36.50 O HETATM 792 O HOH 19 14.942 0.313 67.444 1.00 42.88 O HETATM 793 O HOH 20 26.632 21.269 50.679 1.00 73.96 O HETATM 794 O HOH 21 5.563 6.041 66.738 1.00 75.65 O HETATM 795 O HOH 22 36.206 5.347 76.203 1.00 75.33 O HETATM 796 O HOH 23 22.872 11.480 46.200 1.00 79.65 O HETATM 797 O HOH 24 11.554 15.568 61.720 1.00 20.79 O HETATM 798 O HOH 25 12.382 13.639 68.296 1.00 26.55 O HETATM 799 O HOH 26 18.662 1.803 72.915 1.00 35.70 O HETATM 800 O HOH 27 11.091 14.274 75.536 1.00 35.36 O HETATM 801 O HOH 28 32.759 16.470 58.725 1.00 58.26 O HETATM 802 O HOH 29 24.519 19.559 71.334 1.00 37.08 O HETATM 803 O HOH 30 21.302 14.171 78.714 1.00 63.95 O HETATM 804 O HOH 31 26.565 5.326 76.325 1.00 29.14 O CONECT 206 205 294 CONECT 294 206 293 CONECT 437 436 681 CONECT 681 437 680 MASTER 309 0 0 2 4 0 5 6 803 1 4 9 END