HEADER HYDROLASE 03-JUL-01 1JIS TITLE CRYSTAL STRUCTURE OF TETRAGONAL LYSOZYME GROWN AT PH 4.6 COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C; ALLERGEN GAL D 4; COMPND 5 GAL D IV; COMPND 6 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 TISSUE: EGG WHITE; SOURCE 6 CELLULAR_LOCATION: CYTOPLASM KEYWDS GLYCOSIDASE, ENZYME-TETRAGONAL FORM, MUCOPEPTIDE N- KEYWDS 2 ACETYLMURAMYL HYDROLASE, HEN EGG-WHITE LYSOZYME EXPDTA X-RAY DIFFRACTION AUTHOR S.DATTA,B.K.BISWAL,M.VIJAYAN REVDAT 3 24-FEB-09 1JIS 1 VERSN REVDAT 2 01-APR-03 1JIS 1 JRNL REVDAT 1 02-NOV-01 1JIS 0 JRNL AUTH S.DATTA,B.K.BISWAL,M.VIJAYAN JRNL TITL THE EFFECT OF STABILIZING ADDITIVES ON THE JRNL TITL 2 STRUCTURE AND HYDRATION OF PROTEINS: A STUDY JRNL TITL 3 INVOLVING TETRAGONAL LYSOZYME. JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 57 1614 2001 JRNL REFN ISSN 0907-4449 JRNL PMID 11679726 JRNL DOI 10.1107/S090744490101280X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH B.K.BISWAL,N.SUKUMAR,M.VIJAYAN REMARK 1 TITL HYDRATION, MOBILITY AND ACCESSIBILITY OF LYSOZYME: REMARK 1 TITL 2 STRUCUTRES OF A PH 6.5 ORTHORHOMBIC FORM AND ITS REMARK 1 TITL 3 LOW-HUMIDITY VARIANT AND A COMPARATIVE STUDY REMARK 1 TITL 4 INVOLVING 20 CRYSTALLOGRAPHICALLY INDEPENDENT REMARK 1 TITL 5 MOLECULES REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 56 1110 2000 REMARK 1 REFN ISSN 0907-4449 REMARK 1 DOI 10.1107/S0907444900008866 REMARK 1 REFERENCE 2 REMARK 1 AUTH K.MADHUSUDAN,R.KODANDAPANI,M.VIJAYAN REMARK 1 TITL PROTEIN HYDRATION AND WATER STRUCTURE: X-RAY REMARK 1 TITL 2 ANALYSIS OF A CLOSELY PACKED PROTEIN CRYSTAL WITH REMARK 1 TITL 3 VERY LOW SOLVENT CONTENT REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 49 234 1993 REMARK 1 REFN ISSN 0907-4449 REMARK 1 DOI 10.1107/S090744499200653X REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 499401.650 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.4 REMARK 3 NUMBER OF REFLECTIONS : 9613 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) : 0.190 REMARK 3 FREE R VALUE : 0.234 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.300 REMARK 3 FREE R VALUE TEST SET COUNT : 993 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 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) (%) : 94.80 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1376 REMARK 3 BIN R VALUE (WORKING SET) : 0.2060 REMARK 3 BIN FREE R VALUE : 0.2490 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 147 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.021 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 142 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 15.50 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.97000 REMARK 3 B22 (A**2) : -0.97000 REMARK 3 B33 (A**2) : 1.94000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.20 REMARK 3 ESD FROM SIGMAA (A) : 0.11 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) : 0.26 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.15 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.76 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 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 : 0.34 REMARK 3 BSOL : 45.42 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 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1JIS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB013819. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9803 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07700 REMARK 200 FOR THE DATA SET : 10.1000 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 (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.19700 REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 193L REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.74 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NA-ACETATE BUFFER, PH 4.6, 10% REMARK 280 NACL, LIQUID DIFFUSION AT 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.97150 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.59850 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.59850 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.45725 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.59850 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.59850 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.48575 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.59850 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.59850 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.45725 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.59850 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.59850 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.48575 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.97150 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 HOH A 171 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 198 LIES ON A SPECIAL POSITION. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 251 O HOH A 251 8555 1.92 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 185 DISTANCE = 5.37 ANGSTROMS DBREF 1JIS A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *142(H2 O) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 SER A 24 ASN A 37 1 14 HELIX 3 3 CYS A 80 SER A 85 5 6 HELIX 4 4 ILE A 88 SER A 100 1 13 HELIX 5 5 ASN A 103 ALA A 107 5 5 HELIX 6 6 TRP A 108 CYS A 115 1 8 HELIX 7 7 ASP A 119 ARG A 125 5 7 SHEET 1 A 3 THR A 43 ARG A 45 0 SHEET 2 A 3 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SHEET 3 A 3 ILE A 58 ASN A 59 -1 N ILE A 58 O TYR A 53 SSBOND 1 CYS A 6 CYS A 127 1555 1555 2.04 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.03 SSBOND 3 CYS A 64 CYS A 80 1555 1555 2.03 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.03 CRYST1 79.197 79.197 37.943 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012627 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012627 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026355 0.00000 ATOM 1 N LYS A 1 3.388 10.143 10.308 1.00 20.22 N ATOM 2 CA LYS A 1 2.503 10.523 9.165 1.00 20.02 C ATOM 3 C LYS A 1 2.451 12.035 8.961 1.00 19.97 C ATOM 4 O LYS A 1 2.390 12.803 9.923 1.00 19.78 O ATOM 5 CB LYS A 1 1.078 10.017 9.409 1.00 20.55 C ATOM 6 CG LYS A 1 0.085 10.451 8.340 1.00 20.64 C ATOM 7 CD LYS A 1 -1.339 10.172 8.771 1.00 21.49 C ATOM 8 CE LYS A 1 -2.333 10.583 7.691 1.00 21.49 C ATOM 9 NZ LYS A 1 -3.711 10.161 8.056 1.00 22.23 N ATOM 10 N VAL A 2 2.483 12.461 7.705 1.00 19.67 N ATOM 11 CA VAL A 2 2.395 13.878 7.399 1.00 19.82 C ATOM 12 C VAL A 2 0.986 14.119 6.868 1.00 19.86 C ATOM 13 O VAL A 2 0.603 13.585 5.827 1.00 19.97 O ATOM 14 CB VAL A 2 3.441 14.307 6.345 1.00 19.67 C ATOM 15 CG1 VAL A 2 3.275 15.788 6.019 1.00 19.73 C ATOM 16 CG2 VAL A 2 4.848 14.055 6.879 1.00 19.70 C ATOM 17 N PHE A 3 0.209 14.905 7.604 1.00 19.83 N ATOM 18 CA PHE A 3 -1.163 15.207 7.213 1.00 20.02 C ATOM 19 C PHE A 3 -1.295 16.268 6.137 1.00 20.19 C ATOM 20 O PHE A 3 -0.420 17.110 5.960 1.00 20.21 O ATOM 21 CB PHE A 3 -1.976 15.696 8.412 1.00 19.88 C ATOM 22 CG PHE A 3 -2.473 14.603 9.304 1.00 19.63 C ATOM 23 CD1 PHE A 3 -1.613 13.946 10.172 1.00 19.64 C ATOM 24 CD2 PHE A 3 -3.817 14.254 9.300 1.00 19.72 C ATOM 25 CE1 PHE A 3 -2.087 12.958 11.027 1.00 19.75 C ATOM 26 CE2 PHE A 3 -4.299 13.271 10.147 1.00 19.80 C ATOM 27 CZ PHE A 3 -3.431 12.621 11.016 1.00 19.97 C ATOM 28 N GLY A 4 -2.411 16.210 5.418 1.00 20.55 N ATOM 29 CA GLY A 4 -2.699 17.221 4.425 1.00 20.74 C ATOM 30 C GLY A 4 -3.453 18.259 5.243 1.00 20.93 C ATOM 31 O GLY A 4 -3.979 17.940 6.314 1.00 20.74 O ATOM 32 N ARG A 5 -3.516 19.493 4.761 1.00 21.09 N ATOM 33 CA ARG A 5 -4.196 20.556 5.492 1.00 21.29 C ATOM 34 C ARG A 5 -5.639 20.202 5.877 1.00 21.11 C ATOM 35 O ARG A 5 -5.999 20.209 7.056 1.00 20.99 O ATOM 36 CB ARG A 5 -4.169 21.838 4.653 1.00 21.51 C ATOM 37 CG ARG A 5 -4.710 23.084 5.343 1.00 21.90 C ATOM 38 CD ARG A 5 -4.493 24.303 4.444 1.00 22.12 C ATOM 39 NE ARG A 5 -5.074 24.100 3.115 1.00 22.74 N ATOM 40 CZ ARG A 5 -6.347 24.335 2.806 1.00 23.00 C ATOM 41 NH1 ARG A 5 -7.186 24.793 3.726 1.00 22.85 N ATOM 42 NH2 ARG A 5 -6.787 24.099 1.575 1.00 23.03 N ATOM 43 N CYS A 6 -6.463 19.883 4.884 1.00 20.96 N ATOM 44 CA CYS A 6 -7.858 19.549 5.144 1.00 20.75 C ATOM 45 C CYS A 6 -8.035 18.239 5.900 1.00 20.44 C ATOM 46 O CYS A 6 -8.954 18.100 6.711 1.00 20.67 O ATOM 47 CB CYS A 6 -8.631 19.513 3.828 1.00 20.96 C ATOM 48 SG CYS A 6 -8.683 21.161 3.030 1.00 21.54 S ATOM 49 N GLU A 7 -7.167 17.273 5.629 1.00 19.96 N ATOM 50 CA GLU A 7 -7.245 15.984 6.302 1.00 19.69 C ATOM 51 C GLU A 7 -7.102 16.164 7.813 1.00 19.17 C ATOM 52 O GLU A 7 -7.813 15.532 8.600 1.00 18.86 O ATOM 53 CB GLU A 7 -6.147 15.049 5.781 1.00 20.09 C ATOM 54 CG GLU A 7 -6.030 13.744 6.554 1.00 21.16 C ATOM 55 CD GLU A 7 -4.916 12.856 6.031 1.00 21.45 C ATOM 56 OE1 GLU A 7 -3.920 13.394 5.501 1.00 21.87 O ATOM 57 OE2 GLU A 7 -5.028 11.618 6.163 1.00 22.26 O ATOM 58 N LEU A 8 -6.181 17.032 8.217 1.00 18.58 N ATOM 59 CA LEU A 8 -5.962 17.283 9.636 1.00 18.37 C ATOM 60 C LEU A 8 -7.112 18.078 10.243 1.00 18.10 C ATOM 61 O LEU A 8 -7.537 17.811 11.368 1.00 18.28 O ATOM 62 CB LEU A 8 -4.649 18.038 9.849 1.00 18.31 C ATOM 63 CG LEU A 8 -4.350 18.386 11.310 1.00 18.20 C ATOM 64 CD1 LEU A 8 -4.207 17.112 12.130 1.00 18.12 C ATOM 65 CD2 LEU A 8 -3.078 19.216 11.376 1.00 18.11 C ATOM 66 N ALA A 9 -7.608 19.063 9.502 1.00 17.93 N ATOM 67 CA ALA A 9 -8.724 19.870 9.979 1.00 17.92 C ATOM 68 C ALA A 9 -9.892 18.935 10.285 1.00 17.91 C ATOM 69 O ALA A 9 -10.537 19.060 11.319 1.00 18.05 O ATOM 70 CB ALA A 9 -9.125 20.900 8.921 1.00 17.74 C ATOM 71 N ALA A 10 -10.141 17.981 9.392 1.00 18.10 N ATOM 72 CA ALA A 10 -11.224 17.017 9.574 1.00 18.18 C ATOM 73 C ALA A 10 -11.004 16.132 10.804 1.00 18.25 C ATOM 74 O ALA A 10 -11.935 15.861 11.561 1.00 18.23 O ATOM 75 CB ALA A 10 -11.361 16.145 8.324 1.00 18.51 C ATOM 76 N ALA A 11 -9.772 15.672 10.993 1.00 18.38 N ATOM 77 CA ALA A 11 -9.444 14.820 12.131 1.00 18.33 C ATOM 78 C ALA A 11 -9.600 15.580 13.443 1.00 18.45 C ATOM 79 O ALA A 11 -10.083 15.030 14.431 1.00 18.20 O ATOM 80 CB ALA A 11 -8.016 14.300 12.001 1.00 18.52 C ATOM 81 N MET A 12 -9.180 16.843 13.451 1.00 18.70 N ATOM 82 CA MET A 12 -9.280 17.664 14.652 1.00 19.07 C ATOM 83 C MET A 12 -10.729 17.988 14.989 1.00 19.77 C ATOM 84 O MET A 12 -11.124 17.969 16.160 1.00 19.54 O ATOM 85 CB MET A 12 -8.477 18.954 14.479 1.00 18.62 C ATOM 86 CG MET A 12 -6.972 18.727 14.462 1.00 18.25 C ATOM 87 SD MET A 12 -6.063 20.267 14.283 1.00 17.89 S ATOM 88 CE MET A 12 -4.577 19.923 15.221 1.00 17.89 C ATOM 89 N LYS A 13 -11.526 18.277 13.965 1.00 20.52 N ATOM 90 CA LYS A 13 -12.933 18.588 14.188 1.00 21.66 C ATOM 91 C LYS A 13 -13.625 17.372 14.787 1.00 22.12 C ATOM 92 O LYS A 13 -14.438 17.497 15.700 1.00 22.26 O ATOM 93 CB LYS A 13 -13.621 18.978 12.875 1.00 21.82 C ATOM 94 CG LYS A 13 -15.101 19.305 13.043 1.00 22.45 C ATOM 95 CD LYS A 13 -15.722 19.833 11.756 1.00 22.70 C ATOM 96 CE LYS A 13 -17.209 20.125 11.953 1.00 23.20 C ATOM 97 NZ LYS A 13 -17.833 20.757 10.750 1.00 23.35 N ATOM 98 N ARG A 14 -13.283 16.192 14.280 1.00 22.87 N ATOM 99 CA ARG A 14 -13.877 14.953 14.766 1.00 23.59 C ATOM 100 C ARG A 14 -13.503 14.682 16.220 1.00 23.60 C ATOM 101 O ARG A 14 -14.281 14.085 16.960 1.00 23.48 O ATOM 102 CB ARG A 14 -13.436 13.773 13.898 1.00 24.30 C ATOM 103 CG ARG A 14 -14.460 12.648 13.839 1.00 25.81 C ATOM 104 CD ARG A 14 -13.941 11.347 14.433 1.00 26.83 C ATOM 105 NE ARG A 14 -12.676 10.919 13.840 1.00 27.94 N ATOM 106 CZ ARG A 14 -12.058 9.784 14.153 1.00 28.36 C ATOM 107 NH1 ARG A 14 -12.597 8.966 15.046 1.00 28.61 N ATOM 108 NH2 ARG A 14 -10.897 9.472 13.587 1.00 28.94 N ATOM 109 N HIS A 15 -12.311 15.111 16.630 1.00 23.78 N ATOM 110 CA HIS A 15 -11.888 14.898 18.012 1.00 23.93 C ATOM 111 C HIS A 15 -12.306 16.027 18.960 1.00 23.88 C ATOM 112 O HIS A 15 -11.806 16.124 20.083 1.00 23.84 O ATOM 113 CB HIS A 15 -10.375 14.670 18.092 1.00 24.16 C ATOM 114 CG HIS A 15 -9.948 13.298 17.667 1.00 24.64 C ATOM 115 ND1 HIS A 15 -9.733 12.958 16.347 1.00 24.91 N ATOM 116 CD2 HIS A 15 -9.712 12.177 18.389 1.00 24.85 C ATOM 117 CE1 HIS A 15 -9.379 11.686 16.278 1.00 24.84 C ATOM 118 NE2 HIS A 15 -9.358 11.189 17.496 1.00 25.03 N ATOM 119 N GLY A 16 -13.219 16.876 18.493 1.00 23.90 N ATOM 120 CA GLY A 16 -13.746 17.958 19.310 1.00 24.08 C ATOM 121 C GLY A 16 -12.905 19.189 19.585 1.00 24.23 C ATOM 122 O GLY A 16 -13.115 19.854 20.602 1.00 24.30 O ATOM 123 N LEU A 17 -11.970 19.517 18.698 1.00 24.24 N ATOM 124 CA LEU A 17 -11.139 20.697 18.909 1.00 24.32 C ATOM 125 C LEU A 17 -11.746 21.981 18.359 1.00 24.39 C ATOM 126 O LEU A 17 -11.382 23.070 18.801 1.00 24.29 O ATOM 127 CB LEU A 17 -9.747 20.506 18.299 1.00 24.13 C ATOM 128 CG LEU A 17 -8.726 19.689 19.087 1.00 24.18 C ATOM 129 CD1 LEU A 17 -7.376 19.780 18.380 1.00 23.94 C ATOM 130 CD2 LEU A 17 -8.617 20.216 20.513 1.00 24.01 C ATOM 131 N ASP A 18 -12.661 21.871 17.400 1.00 24.44 N ATOM 132 CA ASP A 18 -13.269 23.072 16.839 1.00 24.61 C ATOM 133 C ASP A 18 -14.046 23.818 17.915 1.00 24.41 C ATOM 134 O ASP A 18 -14.991 23.283 18.506 1.00 24.40 O ATOM 135 CB ASP A 18 -14.190 22.731 15.666 1.00 25.11 C ATOM 136 CG ASP A 18 -14.762 23.971 14.997 1.00 25.53 C ATOM 137 OD1 ASP A 18 -14.178 25.068 15.149 1.00 25.85 O ATOM 138 OD2 ASP A 18 -15.793 23.852 14.303 1.00 26.23 O ATOM 139 N ASN A 19 -13.619 25.052 18.170 1.00 24.12 N ATOM 140 CA ASN A 19 -14.229 25.916 19.174 1.00 24.03 C ATOM 141 C ASN A 19 -13.954 25.480 20.611 1.00 23.68 C ATOM 142 O ASN A 19 -14.567 26.001 21.545 1.00 23.57 O ATOM 143 CB ASN A 19 -15.738 26.011 18.943 1.00 24.74 C ATOM 144 CG ASN A 19 -16.080 26.632 17.604 1.00 25.27 C ATOM 145 OD1 ASN A 19 -15.738 27.783 17.338 1.00 25.89 O ATOM 146 ND2 ASN A 19 -16.755 25.870 16.750 1.00 25.58 N ATOM 147 N TYR A 20 -13.031 24.535 20.794 1.00 23.15 N ATOM 148 CA TYR A 20 -12.694 24.062 22.135 1.00 22.62 C ATOM 149 C TYR A 20 -12.080 25.224 22.914 1.00 22.41 C ATOM 150 O TYR A 20 -11.074 25.797 22.495 1.00 22.12 O ATOM 151 CB TYR A 20 -11.699 22.900 22.078 1.00 22.58 C ATOM 152 CG TYR A 20 -11.506 22.235 23.423 1.00 22.73 C ATOM 153 CD1 TYR A 20 -12.454 21.335 23.919 1.00 22.81 C ATOM 154 CD2 TYR A 20 -10.427 22.572 24.241 1.00 22.80 C ATOM 155 CE1 TYR A 20 -12.332 20.788 25.197 1.00 23.05 C ATOM 156 CE2 TYR A 20 -10.295 22.034 25.519 1.00 22.86 C ATOM 157 CZ TYR A 20 -11.254 21.149 25.992 1.00 23.04 C ATOM 158 OH TYR A 20 -11.144 20.647 27.265 1.00 23.30 O ATOM 159 N ARG A 21 -12.689 25.564 24.047 1.00 22.10 N ATOM 160 CA ARG A 21 -12.226 26.679 24.872 1.00 21.96 C ATOM 161 C ARG A 21 -12.237 27.980 24.079 1.00 21.16 C ATOM 162 O ARG A 21 -11.451 28.885 24.349 1.00 21.32 O ATOM 163 CB ARG A 21 -10.815 26.424 25.413 1.00 22.92 C ATOM 164 CG ARG A 21 -10.733 25.382 26.518 1.00 24.50 C ATOM 165 CD ARG A 21 -11.420 25.848 27.794 1.00 25.85 C ATOM 166 NE ARG A 21 -11.333 24.838 28.849 1.00 27.31 N ATOM 167 CZ ARG A 21 -11.739 25.020 30.104 1.00 27.87 C ATOM 168 NH1 ARG A 21 -12.268 26.180 30.474 1.00 28.46 N ATOM 169 NH2 ARG A 21 -11.609 24.042 30.995 1.00 28.47 N ATOM 170 N GLY A 22 -13.117 28.061 23.086 1.00 20.27 N ATOM 171 CA GLY A 22 -13.227 29.271 22.289 1.00 19.18 C ATOM 172 C GLY A 22 -12.275 29.441 21.118 1.00 18.28 C ATOM 173 O GLY A 22 -12.294 30.479 20.459 1.00 18.33 O ATOM 174 N TYR A 23 -11.445 28.436 20.852 1.00 17.52 N ATOM 175 CA TYR A 23 -10.492 28.502 19.741 1.00 16.78 C ATOM 176 C TYR A 23 -11.016 27.803 18.488 1.00 16.58 C ATOM 177 O TYR A 23 -11.134 26.576 18.452 1.00 16.36 O ATOM 178 CB TYR A 23 -9.154 27.885 20.166 1.00 16.37 C ATOM 179 CG TYR A 23 -8.425 28.712 21.198 1.00 15.84 C ATOM 180 CD1 TYR A 23 -7.634 29.795 20.816 1.00 15.56 C ATOM 181 CD2 TYR A 23 -8.569 28.452 22.560 1.00 15.66 C ATOM 182 CE1 TYR A 23 -7.004 30.603 21.765 1.00 15.50 C ATOM 183 CE2 TYR A 23 -7.946 29.259 23.521 1.00 15.40 C ATOM 184 CZ TYR A 23 -7.166 30.334 23.114 1.00 15.43 C ATOM 185 OH TYR A 23 -6.553 31.144 24.052 1.00 15.17 O ATOM 186 N SER A 24 -11.327 28.595 17.464 1.00 16.39 N ATOM 187 CA SER A 24 -11.844 28.062 16.208 1.00 16.49 C ATOM 188 C SER A 24 -10.849 27.084 15.591 1.00 16.20 C ATOM 189 O SER A 24 -9.650 27.145 15.861 1.00 16.11 O ATOM 190 CB SER A 24 -12.129 29.195 15.227 1.00 16.69 C ATOM 191 OG SER A 24 -10.923 29.785 14.786 1.00 17.19 O ATOM 192 N LEU A 25 -11.360 26.187 14.755 1.00 15.94 N ATOM 193 CA LEU A 25 -10.545 25.164 14.117 1.00 15.58 C ATOM 194 C LEU A 25 -9.306 25.697 13.396 1.00 15.40 C ATOM 195 O LEU A 25 -8.239 25.079 13.454 1.00 15.21 O ATOM 196 CB LEU A 25 -11.419 24.354 13.156 1.00 15.97 C ATOM 197 CG LEU A 25 -10.923 23.009 12.630 1.00 15.98 C ATOM 198 CD1 LEU A 25 -10.525 22.097 13.789 1.00 16.32 C ATOM 199 CD2 LEU A 25 -12.046 22.370 11.820 1.00 16.01 C ATOM 200 N GLY A 26 -9.439 26.837 12.724 1.00 15.09 N ATOM 201 CA GLY A 26 -8.302 27.403 12.017 1.00 14.78 C ATOM 202 C GLY A 26 -7.104 27.624 12.926 1.00 14.74 C ATOM 203 O GLY A 26 -5.962 27.514 12.492 1.00 14.72 O ATOM 204 N ASN A 27 -7.362 27.944 14.188 1.00 14.32 N ATOM 205 CA ASN A 27 -6.288 28.176 15.154 1.00 14.38 C ATOM 206 C ASN A 27 -5.436 26.926 15.362 1.00 14.15 C ATOM 207 O ASN A 27 -4.204 26.981 15.326 1.00 13.93 O ATOM 208 CB ASN A 27 -6.882 28.630 16.492 1.00 14.53 C ATOM 209 CG ASN A 27 -7.264 30.107 16.494 1.00 14.75 C ATOM 210 OD1 ASN A 27 -6.397 30.978 16.514 1.00 14.63 O ATOM 211 ND2 ASN A 27 -8.568 30.390 16.464 1.00 14.67 N ATOM 212 N TRP A 28 -6.104 25.800 15.583 1.00 13.98 N ATOM 213 CA TRP A 28 -5.422 24.535 15.809 1.00 14.14 C ATOM 214 C TRP A 28 -4.648 24.045 14.590 1.00 13.98 C ATOM 215 O TRP A 28 -3.564 23.485 14.735 1.00 14.02 O ATOM 216 CB TRP A 28 -6.425 23.470 16.250 1.00 14.27 C ATOM 217 CG TRP A 28 -7.119 23.811 17.522 1.00 14.67 C ATOM 218 CD1 TRP A 28 -8.371 24.330 17.659 1.00 14.82 C ATOM 219 CD2 TRP A 28 -6.588 23.685 18.846 1.00 14.94 C ATOM 220 NE1 TRP A 28 -8.657 24.536 18.989 1.00 14.95 N ATOM 221 CE2 TRP A 28 -7.577 24.144 19.739 1.00 14.95 C ATOM 222 CE3 TRP A 28 -5.366 23.224 19.363 1.00 15.09 C ATOM 223 CZ2 TRP A 28 -7.388 24.160 21.124 1.00 15.16 C ATOM 224 CZ3 TRP A 28 -5.176 23.239 20.738 1.00 15.21 C ATOM 225 CH2 TRP A 28 -6.185 23.705 21.604 1.00 15.51 C ATOM 226 N VAL A 29 -5.195 24.249 13.392 1.00 13.78 N ATOM 227 CA VAL A 29 -4.503 23.814 12.176 1.00 13.36 C ATOM 228 C VAL A 29 -3.278 24.698 11.931 1.00 13.21 C ATOM 229 O VAL A 29 -2.231 24.217 11.504 1.00 13.10 O ATOM 230 CB VAL A 29 -5.448 23.849 10.935 1.00 13.67 C ATOM 231 CG1 VAL A 29 -4.686 23.471 9.671 1.00 13.96 C ATOM 232 CG2 VAL A 29 -6.600 22.870 11.139 1.00 13.38 C ATOM 233 N CYS A 30 -3.413 25.990 12.213 1.00 12.94 N ATOM 234 CA CYS A 30 -2.305 26.921 12.051 1.00 12.92 C ATOM 235 C CYS A 30 -1.189 26.559 13.038 1.00 12.97 C ATOM 236 O CYS A 30 -0.012 26.570 12.682 1.00 12.72 O ATOM 237 CB CYS A 30 -2.781 28.362 12.297 1.00 12.95 C ATOM 238 SG CYS A 30 -1.496 29.631 12.052 1.00 12.94 S ATOM 239 N ALA A 31 -1.555 26.241 14.278 1.00 13.13 N ATOM 240 CA ALA A 31 -0.553 25.881 15.280 1.00 13.58 C ATOM 241 C ALA A 31 0.196 24.624 14.857 1.00 13.62 C ATOM 242 O ALA A 31 1.412 24.552 14.988 1.00 13.84 O ATOM 243 CB ALA A 31 -1.209 25.674 16.645 1.00 13.76 C ATOM 244 N ALA A 32 -0.533 23.640 14.336 1.00 13.71 N ATOM 245 CA ALA A 32 0.077 22.393 13.890 1.00 14.04 C ATOM 246 C ALA A 32 1.043 22.646 12.734 1.00 14.19 C ATOM 247 O ALA A 32 2.149 22.105 12.696 1.00 14.06 O ATOM 248 CB ALA A 32 -1.010 21.410 13.453 1.00 14.14 C ATOM 249 N LYS A 33 0.610 23.473 11.790 1.00 14.44 N ATOM 250 CA LYS A 33 1.419 23.803 10.629 1.00 14.85 C ATOM 251 C LYS A 33 2.788 24.311 11.040 1.00 14.77 C ATOM 252 O LYS A 33 3.811 23.784 10.614 1.00 14.88 O ATOM 253 CB LYS A 33 0.719 24.873 9.789 1.00 15.47 C ATOM 254 CG LYS A 33 1.596 25.510 8.711 1.00 16.71 C ATOM 255 CD LYS A 33 2.006 24.513 7.643 1.00 17.28 C ATOM 256 CE LYS A 33 2.907 25.173 6.608 1.00 18.32 C ATOM 257 NZ LYS A 33 3.366 24.176 5.613 1.00 18.75 N ATOM 258 N PHE A 34 2.806 25.326 11.892 1.00 14.66 N ATOM 259 CA PHE A 34 4.067 25.909 12.306 1.00 14.78 C ATOM 260 C PHE A 34 4.839 25.210 13.413 1.00 14.86 C ATOM 261 O PHE A 34 6.033 25.441 13.562 1.00 15.18 O ATOM 262 CB PHE A 34 3.843 27.380 12.628 1.00 14.59 C ATOM 263 CG PHE A 34 3.401 28.173 11.430 1.00 14.44 C ATOM 264 CD1 PHE A 34 4.167 28.158 10.262 1.00 14.52 C ATOM 265 CD2 PHE A 34 2.217 28.900 11.446 1.00 14.33 C ATOM 266 CE1 PHE A 34 3.758 28.851 9.127 1.00 14.49 C ATOM 267 CE2 PHE A 34 1.797 29.600 10.311 1.00 14.46 C ATOM 268 CZ PHE A 34 2.569 29.576 9.152 1.00 14.55 C ATOM 269 N GLU A 35 4.183 24.348 14.176 1.00 14.67 N ATOM 270 CA GLU A 35 4.883 23.630 15.237 1.00 14.76 C ATOM 271 C GLU A 35 5.590 22.389 14.690 1.00 14.91 C ATOM 272 O GLU A 35 6.714 22.084 15.083 1.00 14.92 O ATOM 273 CB GLU A 35 3.903 23.186 16.328 1.00 14.72 C ATOM 274 CG GLU A 35 3.400 24.294 17.248 1.00 14.89 C ATOM 275 CD GLU A 35 4.465 24.823 18.198 1.00 15.17 C ATOM 276 OE1 GLU A 35 5.530 24.185 18.326 1.00 15.34 O ATOM 277 OE2 GLU A 35 4.234 25.876 18.830 1.00 15.42 O ATOM 278 N SER A 36 4.942 21.692 13.760 1.00 14.92 N ATOM 279 CA SER A 36 5.491 20.442 13.237 1.00 15.16 C ATOM 280 C SER A 36 5.399 20.239 11.733 1.00 15.39 C ATOM 281 O SER A 36 5.854 19.213 11.226 1.00 15.15 O ATOM 282 CB SER A 36 4.744 19.282 13.872 1.00 15.27 C ATOM 283 OG SER A 36 3.398 19.307 13.413 1.00 15.13 O ATOM 284 N ASN A 37 4.801 21.194 11.031 1.00 15.56 N ATOM 285 CA ASN A 37 4.601 21.090 9.591 1.00 16.24 C ATOM 286 C ASN A 37 3.738 19.865 9.283 1.00 15.93 C ATOM 287 O ASN A 37 3.986 19.128 8.330 1.00 15.97 O ATOM 288 CB ASN A 37 5.939 21.006 8.847 1.00 17.17 C ATOM 289 CG ASN A 37 5.807 21.379 7.381 1.00 18.18 C ATOM 290 OD1 ASN A 37 5.092 22.321 7.032 1.00 19.12 O ATOM 291 ND2 ASN A 37 6.506 20.654 6.516 1.00 19.20 N ATOM 292 N PHE A 38 2.725 19.666 10.122 1.00 15.72 N ATOM 293 CA PHE A 38 1.762 18.572 10.000 1.00 15.67 C ATOM 294 C PHE A 38 2.338 17.159 10.095 1.00 15.48 C ATOM 295 O PHE A 38 1.681 16.206 9.686 1.00 15.46 O ATOM 296 CB PHE A 38 0.980 18.681 8.682 1.00 15.93 C ATOM 297 CG PHE A 38 0.250 19.984 8.499 1.00 15.98 C ATOM 298 CD1 PHE A 38 -0.416 20.588 9.560 1.00 16.22 C ATOM 299 CD2 PHE A 38 0.165 20.566 7.231 1.00 16.28 C ATOM 300 CE1 PHE A 38 -1.160 21.758 9.367 1.00 16.49 C ATOM 301 CE2 PHE A 38 -0.578 21.736 7.021 1.00 16.62 C ATOM 302 CZ PHE A 38 -1.245 22.331 8.091 1.00 16.41 C ATOM 303 N ASN A 39 3.544 17.026 10.648 1.00 15.09 N ATOM 304 CA ASN A 39 4.219 15.729 10.786 1.00 14.79 C ATOM 305 C ASN A 39 4.078 15.209 12.212 1.00 14.59 C ATOM 306 O ASN A 39 4.574 15.831 13.153 1.00 14.29 O ATOM 307 CB ASN A 39 5.705 15.897 10.450 1.00 14.89 C ATOM 308 CG ASN A 39 6.474 14.587 10.458 1.00 14.87 C ATOM 309 OD1 ASN A 39 5.917 13.509 10.694 1.00 14.82 O ATOM 310 ND2 ASN A 39 7.768 14.678 10.185 1.00 14.68 N ATOM 311 N THR A 40 3.411 14.071 12.378 1.00 14.41 N ATOM 312 CA THR A 40 3.222 13.513 13.715 1.00 14.69 C ATOM 313 C THR A 40 4.518 13.032 14.372 1.00 14.73 C ATOM 314 O THR A 40 4.575 12.896 15.589 1.00 14.72 O ATOM 315 CB THR A 40 2.248 12.317 13.705 1.00 14.75 C ATOM 316 OG1 THR A 40 2.803 11.259 12.911 1.00 14.96 O ATOM 317 CG2 THR A 40 0.894 12.725 13.134 1.00 15.03 C ATOM 318 N GLN A 41 5.554 12.781 13.573 1.00 15.01 N ATOM 319 CA GLN A 41 6.824 12.277 14.100 1.00 15.23 C ATOM 320 C GLN A 41 7.847 13.347 14.461 1.00 15.30 C ATOM 321 O GLN A 41 8.980 13.031 14.807 1.00 15.42 O ATOM 322 CB GLN A 41 7.465 11.311 13.096 1.00 15.61 C ATOM 323 CG GLN A 41 6.615 10.088 12.753 1.00 15.94 C ATOM 324 CD GLN A 41 7.426 8.991 12.082 1.00 16.13 C ATOM 325 OE1 GLN A 41 8.274 8.361 12.715 1.00 16.53 O ATOM 326 NE2 GLN A 41 7.182 8.769 10.793 1.00 16.07 N ATOM 327 N ALA A 42 7.458 14.611 14.392 1.00 15.40 N ATOM 328 CA ALA A 42 8.390 15.681 14.703 1.00 15.70 C ATOM 329 C ALA A 42 8.813 15.703 16.172 1.00 15.90 C ATOM 330 O ALA A 42 8.001 15.493 17.075 1.00 15.74 O ATOM 331 CB ALA A 42 7.780 17.030 14.315 1.00 15.68 C ATOM 332 N THR A 43 10.103 15.934 16.393 1.00 16.30 N ATOM 333 CA THR A 43 10.661 16.043 17.734 1.00 16.99 C ATOM 334 C THR A 43 11.694 17.153 17.691 1.00 17.69 C ATOM 335 O THR A 43 12.365 17.350 16.674 1.00 17.67 O ATOM 336 CB THR A 43 11.372 14.761 18.197 1.00 16.80 C ATOM 337 OG1 THR A 43 12.412 14.427 17.267 1.00 16.88 O ATOM 338 CG2 THR A 43 10.381 13.615 18.328 1.00 16.55 C ATOM 339 N ASN A 44 11.807 17.886 18.792 1.00 18.51 N ATOM 340 CA ASN A 44 12.771 18.973 18.901 1.00 19.60 C ATOM 341 C ASN A 44 13.208 19.077 20.347 1.00 20.10 C ATOM 342 O ASN A 44 12.370 19.163 21.245 1.00 19.75 O ATOM 343 CB ASN A 44 12.150 20.302 18.458 1.00 20.17 C ATOM 344 CG ASN A 44 11.895 20.358 16.961 1.00 20.87 C ATOM 345 OD1 ASN A 44 10.749 20.312 16.511 1.00 21.87 O ATOM 346 ND2 ASN A 44 12.965 20.455 16.182 1.00 21.15 N ATOM 347 N ARG A 45 14.517 19.062 20.578 1.00 20.91 N ATOM 348 CA ARG A 45 15.019 19.156 21.939 1.00 21.77 C ATOM 349 C ARG A 45 15.305 20.602 22.313 1.00 22.03 C ATOM 350 O ARG A 45 15.771 21.389 21.491 1.00 22.06 O ATOM 351 CB ARG A 45 16.281 18.309 22.115 1.00 22.57 C ATOM 352 CG ARG A 45 16.646 18.124 23.579 1.00 23.83 C ATOM 353 CD ARG A 45 17.278 16.781 23.832 1.00 24.93 C ATOM 354 NE ARG A 45 17.233 16.437 25.251 1.00 26.07 N ATOM 355 CZ ARG A 45 18.007 15.519 25.821 1.00 26.28 C ATOM 356 NH1 ARG A 45 18.894 14.852 25.091 1.00 26.80 N ATOM 357 NH2 ARG A 45 17.892 15.262 27.117 1.00 26.49 N ATOM 358 N ASN A 46 15.021 20.943 23.564 1.00 22.32 N ATOM 359 CA ASN A 46 15.225 22.298 24.061 1.00 22.79 C ATOM 360 C ASN A 46 16.482 22.407 24.912 1.00 22.96 C ATOM 361 O ASN A 46 17.018 21.403 25.368 1.00 23.04 O ATOM 362 CB ASN A 46 13.997 22.719 24.863 1.00 22.97 C ATOM 363 CG ASN A 46 12.715 22.532 24.075 1.00 23.28 C ATOM 364 OD1 ASN A 46 11.865 21.722 24.431 1.00 23.68 O ATOM 365 ND2 ASN A 46 12.584 23.273 22.984 1.00 23.45 N ATOM 366 N THR A 47 16.950 23.633 25.125 1.00 23.39 N ATOM 367 CA THR A 47 18.160 23.853 25.911 1.00 23.54 C ATOM 368 C THR A 47 18.051 23.320 27.338 1.00 23.28 C ATOM 369 O THR A 47 19.048 22.899 27.922 1.00 23.33 O ATOM 370 CB THR A 47 18.535 25.360 25.948 1.00 23.93 C ATOM 371 OG1 THR A 47 17.419 26.127 26.415 1.00 24.73 O ATOM 372 CG2 THR A 47 18.922 25.845 24.561 1.00 24.26 C ATOM 373 N ASP A 48 16.840 23.315 27.892 1.00 22.94 N ATOM 374 CA ASP A 48 16.637 22.832 29.254 1.00 22.39 C ATOM 375 C ASP A 48 16.603 21.302 29.380 1.00 21.80 C ATOM 376 O ASP A 48 16.305 20.773 30.449 1.00 22.12 O ATOM 377 CB ASP A 48 15.358 23.451 29.845 1.00 22.67 C ATOM 378 CG ASP A 48 14.080 22.826 29.298 1.00 22.97 C ATOM 379 OD1 ASP A 48 14.129 22.132 28.263 1.00 23.08 O ATOM 380 OD2 ASP A 48 13.010 23.043 29.907 1.00 23.23 O ATOM 381 N GLY A 49 16.911 20.592 28.296 1.00 20.96 N ATOM 382 CA GLY A 49 16.921 19.136 28.344 1.00 19.73 C ATOM 383 C GLY A 49 15.601 18.458 28.015 1.00 19.02 C ATOM 384 O GLY A 49 15.545 17.238 27.818 1.00 19.02 O ATOM 385 N SER A 50 14.530 19.239 27.960 1.00 17.97 N ATOM 386 CA SER A 50 13.227 18.674 27.650 1.00 16.96 C ATOM 387 C SER A 50 13.102 18.515 26.140 1.00 16.17 C ATOM 388 O SER A 50 13.925 19.026 25.381 1.00 16.01 O ATOM 389 CB SER A 50 12.111 19.577 28.177 1.00 17.06 C ATOM 390 OG SER A 50 12.088 20.815 27.494 1.00 17.14 O ATOM 391 N THR A 51 12.077 17.797 25.702 1.00 15.35 N ATOM 392 CA THR A 51 11.871 17.587 24.278 1.00 14.58 C ATOM 393 C THR A 51 10.396 17.799 23.936 1.00 14.44 C ATOM 394 O THR A 51 9.519 17.511 24.753 1.00 14.18 O ATOM 395 CB THR A 51 12.311 16.157 23.875 1.00 14.54 C ATOM 396 OG1 THR A 51 13.696 15.972 24.211 1.00 13.93 O ATOM 397 CG2 THR A 51 12.125 15.931 22.384 1.00 13.82 C ATOM 398 N ASP A 52 10.134 18.329 22.743 1.00 14.18 N ATOM 399 CA ASP A 52 8.763 18.564 22.278 1.00 14.34 C ATOM 400 C ASP A 52 8.415 17.436 21.308 1.00 14.08 C ATOM 401 O ASP A 52 9.246 17.060 20.484 1.00 13.95 O ATOM 402 CB ASP A 52 8.656 19.915 21.576 1.00 15.13 C ATOM 403 CG ASP A 52 9.017 21.071 22.485 1.00 16.27 C ATOM 404 OD1 ASP A 52 8.702 21.015 23.689 1.00 17.07 O ATOM 405 OD2 ASP A 52 9.607 22.047 21.995 1.00 17.41 O ATOM 406 N TYR A 53 7.192 16.912 21.395 1.00 13.99 N ATOM 407 CA TYR A 53 6.784 15.777 20.566 1.00 13.91 C ATOM 408 C TYR A 53 5.473 15.894 19.782 1.00 13.90 C ATOM 409 O TYR A 53 4.480 16.419 20.283 1.00 13.72 O ATOM 410 CB TYR A 53 6.654 14.521 21.444 1.00 13.95 C ATOM 411 CG TYR A 53 7.901 14.099 22.192 1.00 13.68 C ATOM 412 CD1 TYR A 53 8.332 14.784 23.334 1.00 13.76 C ATOM 413 CD2 TYR A 53 8.658 13.017 21.749 1.00 13.73 C ATOM 414 CE1 TYR A 53 9.492 14.390 24.012 1.00 13.67 C ATOM 415 CE2 TYR A 53 9.813 12.620 22.414 1.00 13.51 C ATOM 416 CZ TYR A 53 10.226 13.308 23.541 1.00 13.58 C ATOM 417 OH TYR A 53 11.374 12.916 24.190 1.00 13.79 O ATOM 418 N GLY A 54 5.475 15.382 18.554 1.00 13.78 N ATOM 419 CA GLY A 54 4.257 15.352 17.759 1.00 13.75 C ATOM 420 C GLY A 54 3.808 16.577 16.991 1.00 13.87 C ATOM 421 O GLY A 54 4.502 17.595 16.959 1.00 13.45 O ATOM 422 N ILE A 55 2.626 16.470 16.379 1.00 14.12 N ATOM 423 CA ILE A 55 2.076 17.561 15.578 1.00 14.57 C ATOM 424 C ILE A 55 1.905 18.856 16.348 1.00 14.35 C ATOM 425 O ILE A 55 2.010 19.933 15.764 1.00 14.70 O ATOM 426 CB ILE A 55 0.689 17.217 14.938 1.00 14.99 C ATOM 427 CG1 ILE A 55 -0.064 16.220 15.806 1.00 15.34 C ATOM 428 CG2 ILE A 55 0.860 16.763 13.499 1.00 15.60 C ATOM 429 CD1 ILE A 55 -0.589 16.819 17.066 1.00 15.41 C ATOM 430 N LEU A 56 1.629 18.761 17.647 1.00 14.18 N ATOM 431 CA LEU A 56 1.450 19.962 18.453 1.00 14.09 C ATOM 432 C LEU A 56 2.626 20.236 19.381 1.00 14.17 C ATOM 433 O LEU A 56 2.561 21.103 20.253 1.00 13.96 O ATOM 434 CB LEU A 56 0.138 19.895 19.239 1.00 14.16 C ATOM 435 CG LEU A 56 -1.105 20.069 18.357 1.00 14.13 C ATOM 436 CD1 LEU A 56 -2.372 19.929 19.192 1.00 14.16 C ATOM 437 CD2 LEU A 56 -1.061 21.433 17.693 1.00 13.98 C ATOM 438 N GLN A 57 3.708 19.494 19.174 1.00 14.24 N ATOM 439 CA GLN A 57 4.935 19.676 19.937 1.00 14.52 C ATOM 440 C GLN A 57 4.738 19.844 21.441 1.00 15.05 C ATOM 441 O GLN A 57 5.091 20.873 22.015 1.00 15.34 O ATOM 442 CB GLN A 57 5.692 20.881 19.375 1.00 14.18 C ATOM 443 CG GLN A 57 6.239 20.650 17.978 1.00 13.80 C ATOM 444 CD GLN A 57 7.441 19.723 17.973 1.00 13.60 C ATOM 445 OE1 GLN A 57 8.568 20.158 18.202 1.00 13.83 O ATOM 446 NE2 GLN A 57 7.204 18.437 17.723 1.00 13.10 N ATOM 447 N ILE A 58 4.193 18.814 22.071 1.00 15.71 N ATOM 448 CA ILE A 58 3.945 18.814 23.507 1.00 16.50 C ATOM 449 C ILE A 58 5.250 18.529 24.261 1.00 16.94 C ATOM 450 O ILE A 58 5.970 17.583 23.950 1.00 16.79 O ATOM 451 CB ILE A 58 2.827 17.796 23.810 1.00 16.67 C ATOM 452 CG1 ILE A 58 1.526 18.325 23.188 1.00 16.75 C ATOM 453 CG2 ILE A 58 2.669 17.579 25.312 1.00 16.72 C ATOM 454 CD1 ILE A 58 0.362 17.340 23.215 1.00 17.04 C ATOM 455 N ASN A 59 5.547 19.378 25.246 1.00 17.48 N ATOM 456 CA ASN A 59 6.788 19.313 26.020 1.00 18.08 C ATOM 457 C ASN A 59 6.866 18.263 27.136 1.00 18.41 C ATOM 458 O ASN A 59 5.914 18.066 27.887 1.00 18.49 O ATOM 459 CB ASN A 59 7.074 20.714 26.575 1.00 18.18 C ATOM 460 CG ASN A 59 8.423 20.817 27.228 1.00 18.52 C ATOM 461 OD1 ASN A 59 8.549 20.671 28.441 1.00 18.75 O ATOM 462 ND2 ASN A 59 9.450 21.058 26.424 1.00 18.72 N ATOM 463 N SER A 60 8.024 17.612 27.248 1.00 18.99 N ATOM 464 CA SER A 60 8.243 16.558 28.242 1.00 19.72 C ATOM 465 C SER A 60 8.474 17.027 29.673 1.00 20.43 C ATOM 466 O SER A 60 8.445 16.221 30.601 1.00 20.59 O ATOM 467 CB SER A 60 9.415 15.661 27.819 1.00 19.64 C ATOM 468 OG SER A 60 10.645 16.369 27.799 1.00 19.16 O ATOM 469 N ARG A 61 8.714 18.314 29.872 1.00 21.29 N ATOM 470 CA ARG A 61 8.929 18.782 31.234 1.00 22.39 C ATOM 471 C ARG A 61 7.648 18.728 32.072 1.00 22.39 C ATOM 472 O ARG A 61 7.701 18.476 33.279 1.00 22.46 O ATOM 473 CB ARG A 61 9.500 20.199 31.231 1.00 23.42 C ATOM 474 CG ARG A 61 9.648 20.784 32.619 1.00 25.37 C ATOM 475 CD ARG A 61 10.661 21.907 32.650 1.00 26.84 C ATOM 476 NE ARG A 61 10.508 22.727 33.850 1.00 28.58 N ATOM 477 CZ ARG A 61 10.572 22.268 35.097 1.00 29.37 C ATOM 478 NH1 ARG A 61 10.791 20.976 35.330 1.00 29.81 N ATOM 479 NH2 ARG A 61 10.415 23.106 36.118 1.00 30.00 N ATOM 480 N TRP A 62 6.493 18.929 31.443 1.00 22.42 N ATOM 481 CA TRP A 62 5.244 18.908 32.201 1.00 22.47 C ATOM 482 C TRP A 62 4.142 17.963 31.723 1.00 21.80 C ATOM 483 O TRP A 62 3.358 17.458 32.531 1.00 21.84 O ATOM 484 CB TRP A 62 4.625 20.316 32.260 1.00 23.85 C ATOM 485 CG TRP A 62 5.593 21.465 32.223 1.00 25.37 C ATOM 486 CD1 TRP A 62 6.135 22.048 31.111 1.00 26.05 C ATOM 487 CD2 TRP A 62 6.122 22.180 33.346 1.00 26.28 C ATOM 488 NE1 TRP A 62 6.965 23.084 31.473 1.00 26.62 N ATOM 489 CE2 TRP A 62 6.973 23.189 32.839 1.00 26.61 C ATOM 490 CE3 TRP A 62 5.953 22.071 34.733 1.00 26.81 C ATOM 491 CZ2 TRP A 62 7.667 24.079 33.673 1.00 27.22 C ATOM 492 CZ3 TRP A 62 6.644 22.959 35.564 1.00 27.28 C ATOM 493 CH2 TRP A 62 7.485 23.952 35.028 1.00 27.20 C ATOM 494 N TRP A 63 4.087 17.699 30.423 1.00 20.85 N ATOM 495 CA TRP A 63 2.984 16.913 29.887 1.00 19.93 C ATOM 496 C TRP A 63 3.106 15.423 29.606 1.00 19.36 C ATOM 497 O TRP A 63 2.111 14.709 29.674 1.00 19.23 O ATOM 498 CB TRP A 63 2.452 17.635 28.644 1.00 19.83 C ATOM 499 CG TRP A 63 2.228 19.103 28.909 1.00 19.87 C ATOM 500 CD1 TRP A 63 3.032 20.140 28.530 1.00 19.92 C ATOM 501 CD2 TRP A 63 1.183 19.679 29.703 1.00 19.85 C ATOM 502 NE1 TRP A 63 2.559 21.325 29.043 1.00 19.93 N ATOM 503 CE2 TRP A 63 1.420 21.070 29.769 1.00 20.01 C ATOM 504 CE3 TRP A 63 0.066 19.153 30.371 1.00 19.85 C ATOM 505 CZ2 TRP A 63 0.586 21.947 30.478 1.00 20.09 C ATOM 506 CZ3 TRP A 63 -0.767 20.023 31.078 1.00 19.87 C ATOM 507 CH2 TRP A 63 -0.499 21.406 31.123 1.00 19.96 C ATOM 508 N CYS A 64 4.298 14.941 29.283 1.00 18.75 N ATOM 509 CA CYS A 64 4.459 13.516 29.006 1.00 18.38 C ATOM 510 C CYS A 64 5.791 13.022 29.544 1.00 18.40 C ATOM 511 O CYS A 64 6.678 13.811 29.849 1.00 18.28 O ATOM 512 CB CYS A 64 4.372 13.246 27.497 1.00 17.92 C ATOM 513 SG CYS A 64 5.660 14.091 26.522 1.00 17.02 S ATOM 514 N ASN A 65 5.923 11.708 29.662 1.00 18.38 N ATOM 515 CA ASN A 65 7.146 11.126 30.177 1.00 18.45 C ATOM 516 C ASN A 65 7.999 10.488 29.086 1.00 18.00 C ATOM 517 O ASN A 65 7.534 9.599 28.375 1.00 17.47 O ATOM 518 CB ASN A 65 6.820 10.072 31.230 1.00 19.29 C ATOM 519 CG ASN A 65 8.060 9.374 31.738 1.00 20.13 C ATOM 520 OD1 ASN A 65 9.008 10.021 32.176 1.00 21.03 O ATOM 521 ND2 ASN A 65 8.065 8.049 31.675 1.00 21.11 N ATOM 522 N ASP A 66 9.245 10.937 28.964 1.00 17.80 N ATOM 523 CA ASP A 66 10.144 10.369 27.966 1.00 17.86 C ATOM 524 C ASP A 66 11.363 9.719 28.626 1.00 18.19 C ATOM 525 O ASP A 66 12.310 9.307 27.954 1.00 18.19 O ATOM 526 CB ASP A 66 10.554 11.430 26.929 1.00 17.44 C ATOM 527 CG ASP A 66 11.449 12.524 27.496 1.00 17.07 C ATOM 528 OD1 ASP A 66 11.696 12.556 28.717 1.00 16.89 O ATOM 529 OD2 ASP A 66 11.908 13.365 26.695 1.00 16.67 O ATOM 530 N GLY A 67 11.313 9.626 29.950 1.00 18.52 N ATOM 531 CA GLY A 67 12.379 8.994 30.710 1.00 19.07 C ATOM 532 C GLY A 67 13.718 9.695 30.769 1.00 19.54 C ATOM 533 O GLY A 67 14.654 9.179 31.387 1.00 19.84 O ATOM 534 N ARG A 68 13.831 10.863 30.148 1.00 19.75 N ATOM 535 CA ARG A 68 15.101 11.574 30.162 1.00 20.26 C ATOM 536 C ARG A 68 14.980 13.054 30.503 1.00 20.70 C ATOM 537 O ARG A 68 15.860 13.845 30.168 1.00 20.71 O ATOM 538 CB ARG A 68 15.815 11.415 28.814 1.00 20.11 C ATOM 539 CG ARG A 68 15.174 12.146 27.653 1.00 20.26 C ATOM 540 CD ARG A 68 16.112 12.152 26.448 1.00 20.21 C ATOM 541 NE ARG A 68 15.664 13.053 25.387 1.00 20.57 N ATOM 542 CZ ARG A 68 16.220 13.119 24.179 1.00 20.35 C ATOM 543 NH1 ARG A 68 17.249 12.334 23.882 1.00 20.50 N ATOM 544 NH2 ARG A 68 15.747 13.965 23.269 1.00 20.09 N ATOM 545 N THR A 69 13.891 13.427 31.166 1.00 21.19 N ATOM 546 CA THR A 69 13.681 14.817 31.562 1.00 22.12 C ATOM 547 C THR A 69 13.532 14.831 33.085 1.00 23.02 C ATOM 548 O THR A 69 12.435 14.676 33.613 1.00 23.10 O ATOM 549 CB THR A 69 12.401 15.414 30.911 1.00 21.84 C ATOM 550 OG1 THR A 69 12.422 15.181 29.495 1.00 21.31 O ATOM 551 CG2 THR A 69 12.337 16.918 31.151 1.00 21.74 C ATOM 552 N PRO A 70 14.648 14.992 33.809 1.00 24.07 N ATOM 553 CA PRO A 70 14.630 15.018 35.276 1.00 24.90 C ATOM 554 C PRO A 70 13.636 15.983 35.918 1.00 25.68 C ATOM 555 O PRO A 70 13.440 17.107 35.450 1.00 25.69 O ATOM 556 CB PRO A 70 16.078 15.350 35.623 1.00 24.89 C ATOM 557 CG PRO A 70 16.826 14.616 34.555 1.00 24.65 C ATOM 558 CD PRO A 70 16.035 14.979 33.307 1.00 24.30 C ATOM 559 N GLY A 71 13.006 15.521 36.996 1.00 26.53 N ATOM 560 CA GLY A 71 12.043 16.337 37.715 1.00 27.40 C ATOM 561 C GLY A 71 10.873 16.804 36.875 1.00 27.92 C ATOM 562 O GLY A 71 10.271 17.844 37.151 1.00 28.20 O ATOM 563 N SER A 72 10.537 16.038 35.847 1.00 28.29 N ATOM 564 CA SER A 72 9.430 16.414 34.993 1.00 28.53 C ATOM 565 C SER A 72 8.132 15.808 35.506 1.00 28.53 C ATOM 566 O SER A 72 8.134 14.803 36.217 1.00 28.45 O ATOM 567 CB SER A 72 9.683 15.948 33.562 1.00 28.80 C ATOM 568 OG SER A 72 9.635 14.536 33.479 1.00 29.43 O ATOM 569 N ARG A 73 7.025 16.446 35.152 1.00 28.50 N ATOM 570 CA ARG A 73 5.710 15.968 35.538 1.00 28.48 C ATOM 571 C ARG A 73 5.186 15.262 34.300 1.00 27.85 C ATOM 572 O ARG A 73 5.700 15.458 33.201 1.00 28.32 O ATOM 573 CB ARG A 73 4.796 17.139 35.875 1.00 29.24 C ATOM 574 CG ARG A 73 5.360 18.106 36.892 1.00 30.74 C ATOM 575 CD ARG A 73 4.545 19.393 36.900 1.00 32.01 C ATOM 576 NE ARG A 73 5.106 20.398 37.801 1.00 33.42 N ATOM 577 CZ ARG A 73 4.704 21.666 37.857 1.00 33.94 C ATOM 578 NH1 ARG A 73 3.732 22.100 37.059 1.00 34.30 N ATOM 579 NH2 ARG A 73 5.279 22.505 38.712 1.00 34.41 N ATOM 580 N ASN A 74 4.167 14.442 34.472 1.00 26.88 N ATOM 581 CA ASN A 74 3.584 13.723 33.353 1.00 25.92 C ATOM 582 C ASN A 74 2.094 13.989 33.476 1.00 25.22 C ATOM 583 O ASN A 74 1.299 13.071 33.662 1.00 25.17 O ATOM 584 CB ASN A 74 3.902 12.230 33.487 1.00 25.73 C ATOM 585 CG ASN A 74 3.319 11.400 32.362 1.00 25.67 C ATOM 586 OD1 ASN A 74 2.841 11.931 31.362 1.00 25.46 O ATOM 587 ND2 ASN A 74 3.367 10.080 32.520 1.00 25.68 N ATOM 588 N LEU A 75 1.730 15.264 33.366 1.00 24.74 N ATOM 589 CA LEU A 75 0.346 15.694 33.512 1.00 24.14 C ATOM 590 C LEU A 75 -0.675 15.037 32.600 1.00 23.48 C ATOM 591 O LEU A 75 -1.837 14.889 32.981 1.00 23.33 O ATOM 592 CB LEU A 75 0.260 17.219 33.396 1.00 24.51 C ATOM 593 CG LEU A 75 0.901 17.916 34.603 1.00 24.75 C ATOM 594 CD1 LEU A 75 0.808 19.421 34.461 1.00 25.08 C ATOM 595 CD2 LEU A 75 0.200 17.455 35.876 1.00 24.98 C ATOM 596 N CYS A 76 -0.265 14.640 31.400 1.00 22.70 N ATOM 597 CA CYS A 76 -1.208 13.987 30.503 1.00 21.98 C ATOM 598 C CYS A 76 -1.204 12.484 30.729 1.00 22.22 C ATOM 599 O CYS A 76 -1.999 11.750 30.142 1.00 22.08 O ATOM 600 CB CYS A 76 -0.882 14.324 29.051 1.00 21.08 C ATOM 601 SG CYS A 76 -1.390 16.020 28.633 1.00 19.60 S ATOM 602 N ASN A 77 -0.301 12.046 31.602 1.00 22.44 N ATOM 603 CA ASN A 77 -0.157 10.643 31.973 1.00 22.65 C ATOM 604 C ASN A 77 0.019 9.700 30.789 1.00 22.21 C ATOM 605 O ASN A 77 -0.709 8.714 30.644 1.00 21.97 O ATOM 606 CB ASN A 77 -1.357 10.199 32.810 1.00 23.79 C ATOM 607 CG ASN A 77 -0.971 9.211 33.888 1.00 24.81 C ATOM 608 OD1 ASN A 77 -0.342 8.186 33.614 1.00 25.68 O ATOM 609 ND2 ASN A 77 -1.339 9.514 35.127 1.00 25.77 N ATOM 610 N ILE A 78 1.004 10.002 29.952 1.00 21.49 N ATOM 611 CA ILE A 78 1.292 9.191 28.778 1.00 20.89 C ATOM 612 C ILE A 78 2.765 9.253 28.419 1.00 20.29 C ATOM 613 O ILE A 78 3.453 10.223 28.737 1.00 19.96 O ATOM 614 CB ILE A 78 0.571 9.701 27.522 1.00 21.09 C ATOM 615 CG1 ILE A 78 0.881 11.191 27.334 1.00 21.33 C ATOM 616 CG2 ILE A 78 -0.901 9.395 27.599 1.00 21.46 C ATOM 617 CD1 ILE A 78 0.568 11.717 25.951 1.00 21.56 C ATOM 618 N PRO A 79 3.274 8.207 27.755 1.00 19.79 N ATOM 619 CA PRO A 79 4.684 8.242 27.370 1.00 19.33 C ATOM 620 C PRO A 79 4.701 9.210 26.189 1.00 18.61 C ATOM 621 O PRO A 79 3.751 9.240 25.407 1.00 18.55 O ATOM 622 CB PRO A 79 4.960 6.802 26.951 1.00 19.56 C ATOM 623 CG PRO A 79 3.641 6.371 26.392 1.00 19.93 C ATOM 624 CD PRO A 79 2.658 6.918 27.398 1.00 19.81 C ATOM 625 N CYS A 80 5.749 10.011 26.060 1.00 18.01 N ATOM 626 CA CYS A 80 5.800 10.965 24.957 1.00 17.42 C ATOM 627 C CYS A 80 5.724 10.288 23.586 1.00 17.34 C ATOM 628 O CYS A 80 5.202 10.862 22.629 1.00 16.95 O ATOM 629 CB CYS A 80 7.064 11.811 25.047 1.00 17.16 C ATOM 630 SG CYS A 80 7.229 12.801 26.568 1.00 16.75 S ATOM 631 N SER A 81 6.228 9.062 23.493 1.00 17.24 N ATOM 632 CA SER A 81 6.197 8.340 22.222 1.00 17.69 C ATOM 633 C SER A 81 4.777 8.179 21.679 1.00 17.85 C ATOM 634 O SER A 81 4.578 8.066 20.471 1.00 17.97 O ATOM 635 CB SER A 81 6.845 6.963 22.375 1.00 17.58 C ATOM 636 OG SER A 81 6.170 6.199 23.355 1.00 18.24 O ATOM 637 N ALA A 82 3.792 8.170 22.570 1.00 18.19 N ATOM 638 CA ALA A 82 2.400 8.034 22.159 1.00 18.67 C ATOM 639 C ALA A 82 1.959 9.256 21.350 1.00 18.92 C ATOM 640 O ALA A 82 1.008 9.187 20.573 1.00 19.20 O ATOM 641 CB ALA A 82 1.507 7.873 23.386 1.00 18.60 C ATOM 642 N LEU A 83 2.653 10.374 21.537 1.00 19.11 N ATOM 643 CA LEU A 83 2.328 11.607 20.827 1.00 19.53 C ATOM 644 C LEU A 83 2.849 11.642 19.398 1.00 19.65 C ATOM 645 O LEU A 83 2.622 12.614 18.679 1.00 19.82 O ATOM 646 CB LEU A 83 2.881 12.812 21.589 1.00 19.66 C ATOM 647 CG LEU A 83 2.295 13.012 22.988 1.00 19.61 C ATOM 648 CD1 LEU A 83 3.005 14.167 23.683 1.00 19.82 C ATOM 649 CD2 LEU A 83 0.790 13.275 22.876 1.00 19.78 C ATOM 650 N LEU A 84 3.538 10.586 18.980 1.00 19.89 N ATOM 651 CA LEU A 84 4.091 10.536 17.630 1.00 20.15 C ATOM 652 C LEU A 84 3.279 9.629 16.707 1.00 20.53 C ATOM 653 O LEU A 84 3.596 9.487 15.526 1.00 20.56 O ATOM 654 CB LEU A 84 5.540 10.047 17.679 1.00 20.11 C ATOM 655 CG LEU A 84 6.469 10.792 18.642 1.00 20.15 C ATOM 656 CD1 LEU A 84 7.793 10.055 18.721 1.00 20.28 C ATOM 657 CD2 LEU A 84 6.679 12.230 18.178 1.00 20.09 C ATOM 658 N SER A 85 2.231 9.025 17.248 1.00 20.79 N ATOM 659 CA SER A 85 1.378 8.120 16.483 1.00 21.19 C ATOM 660 C SER A 85 0.650 8.787 15.324 1.00 21.39 C ATOM 661 O SER A 85 0.412 9.994 15.344 1.00 21.46 O ATOM 662 CB SER A 85 0.344 7.480 17.412 1.00 20.99 C ATOM 663 OG SER A 85 -0.588 6.711 16.674 1.00 21.10 O ATOM 664 N SER A 86 0.297 7.995 14.312 1.00 21.64 N ATOM 665 CA SER A 86 -0.440 8.519 13.164 1.00 21.89 C ATOM 666 C SER A 86 -1.882 8.813 13.611 1.00 21.87 C ATOM 667 O SER A 86 -2.617 9.548 12.950 1.00 21.90 O ATOM 668 CB SER A 86 -0.414 7.514 12.006 1.00 22.10 C ATOM 669 OG SER A 86 -0.937 6.259 12.401 1.00 22.65 O ATOM 670 N ASP A 87 -2.273 8.226 14.740 1.00 21.81 N ATOM 671 CA ASP A 87 -3.594 8.453 15.331 1.00 21.78 C ATOM 672 C ASP A 87 -3.366 9.650 16.261 1.00 21.34 C ATOM 673 O ASP A 87 -2.651 9.522 17.256 1.00 21.27 O ATOM 674 CB ASP A 87 -4.012 7.248 16.171 1.00 22.56 C ATOM 675 CG ASP A 87 -5.427 7.376 16.723 1.00 23.35 C ATOM 676 OD1 ASP A 87 -5.856 8.501 17.053 1.00 23.76 O ATOM 677 OD2 ASP A 87 -6.112 6.339 16.839 1.00 24.04 O ATOM 678 N ILE A 88 -3.968 10.797 15.960 1.00 20.84 N ATOM 679 CA ILE A 88 -3.746 11.987 16.786 1.00 20.40 C ATOM 680 C ILE A 88 -4.529 12.053 18.090 1.00 20.13 C ATOM 681 O ILE A 88 -4.409 13.024 18.843 1.00 20.07 O ATOM 682 CB ILE A 88 -4.036 13.292 15.995 1.00 20.12 C ATOM 683 CG1 ILE A 88 -5.526 13.386 15.642 1.00 20.14 C ATOM 684 CG2 ILE A 88 -3.173 13.336 14.736 1.00 20.11 C ATOM 685 CD1 ILE A 88 -5.927 14.727 15.051 1.00 20.25 C ATOM 686 N THR A 89 -5.316 11.026 18.377 1.00 19.93 N ATOM 687 CA THR A 89 -6.119 11.029 19.594 1.00 19.60 C ATOM 688 C THR A 89 -5.376 11.488 20.850 1.00 19.31 C ATOM 689 O THR A 89 -5.829 12.404 21.537 1.00 19.09 O ATOM 690 CB THR A 89 -6.727 9.644 19.852 1.00 19.88 C ATOM 691 OG1 THR A 89 -7.488 9.247 18.707 1.00 20.23 O ATOM 692 CG2 THR A 89 -7.658 9.682 21.052 1.00 20.05 C ATOM 693 N ALA A 90 -4.236 10.861 21.143 1.00 18.86 N ATOM 694 CA ALA A 90 -3.455 11.201 22.332 1.00 18.47 C ATOM 695 C ALA A 90 -2.998 12.658 22.353 1.00 18.26 C ATOM 696 O ALA A 90 -3.053 13.317 23.395 1.00 18.21 O ATOM 697 CB ALA A 90 -2.246 10.262 22.455 1.00 18.51 C ATOM 698 N SER A 91 -2.543 13.161 21.209 1.00 18.08 N ATOM 699 CA SER A 91 -2.098 14.545 21.128 1.00 17.88 C ATOM 700 C SER A 91 -3.242 15.502 21.414 1.00 17.97 C ATOM 701 O SER A 91 -3.072 16.481 22.135 1.00 17.83 O ATOM 702 CB SER A 91 -1.518 14.840 19.752 1.00 17.91 C ATOM 703 OG SER A 91 -0.231 14.274 19.634 1.00 17.80 O ATOM 704 N VAL A 92 -4.404 15.213 20.838 1.00 18.10 N ATOM 705 CA VAL A 92 -5.584 16.043 21.032 1.00 18.62 C ATOM 706 C VAL A 92 -6.008 16.068 22.498 1.00 18.66 C ATOM 707 O VAL A 92 -6.217 17.141 23.070 1.00 18.69 O ATOM 708 CB VAL A 92 -6.762 15.538 20.161 1.00 18.86 C ATOM 709 CG1 VAL A 92 -8.050 16.291 20.514 1.00 19.16 C ATOM 710 CG2 VAL A 92 -6.422 15.732 18.691 1.00 19.04 C ATOM 711 N ASN A 93 -6.129 14.892 23.108 1.00 18.77 N ATOM 712 CA ASN A 93 -6.531 14.810 24.508 1.00 19.09 C ATOM 713 C ASN A 93 -5.595 15.575 25.431 1.00 18.85 C ATOM 714 O ASN A 93 -6.042 16.238 26.370 1.00 18.71 O ATOM 715 CB ASN A 93 -6.619 13.350 24.957 1.00 19.87 C ATOM 716 CG ASN A 93 -7.775 12.626 24.313 1.00 20.69 C ATOM 717 OD1 ASN A 93 -8.660 13.256 23.739 1.00 21.58 O ATOM 718 ND2 ASN A 93 -7.783 11.303 24.410 1.00 21.42 N ATOM 719 N CYS A 94 -4.296 15.486 25.165 1.00 18.52 N ATOM 720 CA CYS A 94 -3.313 16.195 25.976 1.00 18.21 C ATOM 721 C CYS A 94 -3.395 17.702 25.692 1.00 17.99 C ATOM 722 O CYS A 94 -3.312 18.519 26.608 1.00 17.73 O ATOM 723 CB CYS A 94 -1.906 15.666 25.675 1.00 18.58 C ATOM 724 SG CYS A 94 -0.608 16.303 26.785 1.00 18.63 S ATOM 725 N ALA A 95 -3.569 18.072 24.424 1.00 17.70 N ATOM 726 CA ALA A 95 -3.671 19.486 24.066 1.00 17.82 C ATOM 727 C ALA A 95 -4.884 20.125 24.761 1.00 17.89 C ATOM 728 O ALA A 95 -4.856 21.296 25.137 1.00 17.74 O ATOM 729 CB ALA A 95 -3.789 19.642 22.552 1.00 17.62 C ATOM 730 N LYS A 96 -5.952 19.358 24.932 1.00 18.27 N ATOM 731 CA LYS A 96 -7.136 19.892 25.597 1.00 18.74 C ATOM 732 C LYS A 96 -6.815 20.255 27.044 1.00 18.85 C ATOM 733 O LYS A 96 -7.342 21.226 27.580 1.00 19.06 O ATOM 734 CB LYS A 96 -8.282 18.879 25.543 1.00 18.91 C ATOM 735 CG LYS A 96 -8.897 18.752 24.168 1.00 19.23 C ATOM 736 CD LYS A 96 -10.051 17.779 24.174 1.00 19.76 C ATOM 737 CE LYS A 96 -10.789 17.832 22.849 1.00 19.97 C ATOM 738 NZ LYS A 96 -11.892 16.842 22.803 1.00 19.96 N ATOM 739 N LYS A 97 -5.942 19.476 27.673 1.00 18.95 N ATOM 740 CA LYS A 97 -5.548 19.751 29.050 1.00 19.26 C ATOM 741 C LYS A 97 -4.649 20.986 29.090 1.00 19.09 C ATOM 742 O LYS A 97 -4.797 21.853 29.949 1.00 18.89 O ATOM 743 CB LYS A 97 -4.800 18.553 29.637 1.00 19.80 C ATOM 744 CG LYS A 97 -5.615 17.270 29.651 1.00 21.02 C ATOM 745 CD LYS A 97 -5.000 16.228 30.577 1.00 21.95 C ATOM 746 CE LYS A 97 -5.864 14.972 30.659 1.00 22.67 C ATOM 747 NZ LYS A 97 -5.720 14.094 29.455 1.00 23.25 N ATOM 748 N ILE A 98 -3.717 21.059 28.147 1.00 18.88 N ATOM 749 CA ILE A 98 -2.794 22.181 28.074 1.00 18.87 C ATOM 750 C ILE A 98 -3.504 23.520 27.878 1.00 19.18 C ATOM 751 O ILE A 98 -3.231 24.477 28.601 1.00 19.16 O ATOM 752 CB ILE A 98 -1.778 21.996 26.917 1.00 18.56 C ATOM 753 CG1 ILE A 98 -0.918 20.757 27.168 1.00 18.29 C ATOM 754 CG2 ILE A 98 -0.881 23.224 26.795 1.00 18.46 C ATOM 755 CD1 ILE A 98 0.007 20.412 26.010 1.00 17.78 C ATOM 756 N VAL A 99 -4.416 23.583 26.910 1.00 19.45 N ATOM 757 CA VAL A 99 -5.122 24.827 26.609 1.00 19.99 C ATOM 758 C VAL A 99 -6.068 25.293 27.719 1.00 20.68 C ATOM 759 O VAL A 99 -6.473 26.454 27.742 1.00 20.72 O ATOM 760 CB VAL A 99 -5.882 24.716 25.245 1.00 19.63 C ATOM 761 CG1 VAL A 99 -7.098 23.811 25.380 1.00 19.49 C ATOM 762 CG2 VAL A 99 -6.269 26.100 24.739 1.00 19.48 C ATOM 763 N SER A 100 -6.397 24.395 28.645 1.00 21.35 N ATOM 764 CA SER A 100 -7.279 24.721 29.768 1.00 22.40 C ATOM 765 C SER A 100 -6.469 25.153 30.996 1.00 22.98 C ATOM 766 O SER A 100 -7.038 25.514 32.028 1.00 23.28 O ATOM 767 CB SER A 100 -8.122 23.500 30.150 1.00 22.32 C ATOM 768 OG SER A 100 -8.890 23.033 29.055 1.00 22.63 O ATOM 769 N ASP A 101 -5.145 25.122 30.863 1.00 23.74 N ATOM 770 CA ASP A 101 -4.210 25.447 31.943 1.00 24.42 C ATOM 771 C ASP A 101 -4.202 26.894 32.440 1.00 24.37 C ATOM 772 O ASP A 101 -3.650 27.176 33.506 1.00 24.82 O ATOM 773 CB ASP A 101 -2.791 25.040 31.519 1.00 25.15 C ATOM 774 CG ASP A 101 -1.854 24.840 32.701 1.00 26.09 C ATOM 775 OD1 ASP A 101 -2.248 24.132 33.654 1.00 26.63 O ATOM 776 OD2 ASP A 101 -0.720 25.374 32.670 1.00 26.75 O ATOM 777 N GLY A 102 -4.799 27.809 31.685 1.00 23.97 N ATOM 778 CA GLY A 102 -4.823 29.197 32.115 1.00 23.43 C ATOM 779 C GLY A 102 -4.295 30.198 31.100 1.00 22.93 C ATOM 780 O GLY A 102 -4.787 31.327 31.030 1.00 23.14 O ATOM 781 N ASN A 103 -3.300 29.804 30.309 1.00 22.23 N ATOM 782 CA ASN A 103 -2.738 30.716 29.316 1.00 21.53 C ATOM 783 C ASN A 103 -3.294 30.482 27.912 1.00 20.42 C ATOM 784 O ASN A 103 -2.844 31.095 26.946 1.00 20.14 O ATOM 785 CB ASN A 103 -1.212 30.605 29.301 1.00 22.44 C ATOM 786 CG ASN A 103 -0.591 30.994 30.630 1.00 23.46 C ATOM 787 OD1 ASN A 103 -0.869 32.068 31.164 1.00 24.26 O ATOM 788 ND2 ASN A 103 0.260 30.123 31.169 1.00 24.33 N ATOM 789 N GLY A 104 -4.284 29.604 27.807 1.00 19.33 N ATOM 790 CA GLY A 104 -4.882 29.325 26.514 1.00 18.34 C ATOM 791 C GLY A 104 -3.881 28.785 25.510 1.00 17.41 C ATOM 792 O GLY A 104 -2.977 28.037 25.875 1.00 17.38 O ATOM 793 N MET A 105 -4.025 29.175 24.247 1.00 16.69 N ATOM 794 CA MET A 105 -3.122 28.694 23.205 1.00 15.97 C ATOM 795 C MET A 105 -1.761 29.385 23.194 1.00 15.64 C ATOM 796 O MET A 105 -0.885 29.037 22.402 1.00 15.38 O ATOM 797 CB MET A 105 -3.796 28.794 21.830 1.00 15.66 C ATOM 798 CG MET A 105 -4.796 27.674 21.581 1.00 15.51 C ATOM 799 SD MET A 105 -5.292 27.494 19.849 1.00 15.71 S ATOM 800 CE MET A 105 -3.853 26.656 19.172 1.00 15.52 C ATOM 801 N ASN A 106 -1.583 30.362 24.081 1.00 15.43 N ATOM 802 CA ASN A 106 -0.311 31.063 24.188 1.00 15.08 C ATOM 803 C ASN A 106 0.759 30.077 24.658 1.00 15.21 C ATOM 804 O ASN A 106 1.952 30.375 24.610 1.00 15.12 O ATOM 805 CB ASN A 106 -0.429 32.231 25.173 1.00 15.06 C ATOM 806 CG ASN A 106 -1.307 33.345 24.645 1.00 14.74 C ATOM 807 OD1 ASN A 106 -0.970 34.004 23.663 1.00 14.71 O ATOM 808 ND2 ASN A 106 -2.444 33.556 25.290 1.00 15.01 N ATOM 809 N ALA A 107 0.325 28.905 25.116 1.00 15.18 N ATOM 810 CA ALA A 107 1.245 27.861 25.562 1.00 15.37 C ATOM 811 C ALA A 107 2.062 27.341 24.377 1.00 15.36 C ATOM 812 O ALA A 107 3.083 26.678 24.562 1.00 15.97 O ATOM 813 CB ALA A 107 0.469 26.713 26.202 1.00 15.49 C ATOM 814 N TRP A 108 1.597 27.620 23.161 1.00 15.01 N ATOM 815 CA TRP A 108 2.311 27.209 21.952 1.00 14.85 C ATOM 816 C TRP A 108 2.957 28.452 21.372 1.00 14.94 C ATOM 817 O TRP A 108 2.273 29.355 20.879 1.00 14.71 O ATOM 818 CB TRP A 108 1.359 26.582 20.926 1.00 14.32 C ATOM 819 CG TRP A 108 0.965 25.180 21.265 1.00 13.99 C ATOM 820 CD1 TRP A 108 1.687 24.040 21.026 1.00 13.92 C ATOM 821 CD2 TRP A 108 -0.219 24.763 21.948 1.00 13.79 C ATOM 822 NE1 TRP A 108 1.023 22.944 21.516 1.00 13.86 N ATOM 823 CE2 TRP A 108 -0.158 23.361 22.088 1.00 13.88 C ATOM 824 CE3 TRP A 108 -1.337 25.443 22.456 1.00 13.89 C ATOM 825 CZ2 TRP A 108 -1.159 22.620 22.715 1.00 13.84 C ATOM 826 CZ3 TRP A 108 -2.338 24.705 23.085 1.00 14.01 C ATOM 827 CH2 TRP A 108 -2.241 23.307 23.206 1.00 13.66 C ATOM 828 N VAL A 109 4.282 28.495 21.430 1.00 15.17 N ATOM 829 CA VAL A 109 5.024 29.651 20.945 1.00 15.44 C ATOM 830 C VAL A 109 4.798 30.000 19.474 1.00 15.24 C ATOM 831 O VAL A 109 4.727 31.175 19.123 1.00 15.37 O ATOM 832 CB VAL A 109 6.534 29.479 21.221 1.00 15.75 C ATOM 833 CG1 VAL A 109 7.310 30.674 20.679 1.00 16.05 C ATOM 834 CG2 VAL A 109 6.764 29.354 22.724 1.00 16.34 C ATOM 835 N ALA A 110 4.663 29.000 18.612 1.00 15.25 N ATOM 836 CA ALA A 110 4.446 29.284 17.197 1.00 15.13 C ATOM 837 C ALA A 110 3.056 29.867 16.954 1.00 15.08 C ATOM 838 O ALA A 110 2.865 30.673 16.040 1.00 15.06 O ATOM 839 CB ALA A 110 4.647 28.016 16.359 1.00 15.26 C ATOM 840 N TRP A 111 2.079 29.460 17.761 1.00 14.87 N ATOM 841 CA TRP A 111 0.728 29.987 17.596 1.00 14.84 C ATOM 842 C TRP A 111 0.730 31.462 17.976 1.00 15.25 C ATOM 843 O TRP A 111 0.184 32.309 17.266 1.00 15.25 O ATOM 844 CB TRP A 111 -0.270 29.251 18.492 1.00 14.15 C ATOM 845 CG TRP A 111 -1.655 29.838 18.406 1.00 13.68 C ATOM 846 CD1 TRP A 111 -2.599 29.588 17.447 1.00 13.27 C ATOM 847 CD2 TRP A 111 -2.227 30.819 19.285 1.00 13.30 C ATOM 848 NE1 TRP A 111 -3.721 30.354 17.676 1.00 13.15 N ATOM 849 CE2 TRP A 111 -3.521 31.113 18.798 1.00 13.11 C ATOM 850 CE3 TRP A 111 -1.770 31.471 20.439 1.00 13.04 C ATOM 851 CZ2 TRP A 111 -4.365 32.041 19.424 1.00 13.22 C ATOM 852 CZ3 TRP A 111 -2.607 32.389 21.062 1.00 12.84 C ATOM 853 CH2 TRP A 111 -3.893 32.664 20.553 1.00 13.10 C ATOM 854 N ARG A 112 1.349 31.757 19.110 1.00 15.70 N ATOM 855 CA ARG A 112 1.425 33.119 19.600 1.00 16.64 C ATOM 856 C ARG A 112 2.161 34.030 18.615 1.00 16.44 C ATOM 857 O ARG A 112 1.733 35.161 18.358 1.00 16.48 O ATOM 858 CB ARG A 112 2.127 33.126 20.960 1.00 17.92 C ATOM 859 CG ARG A 112 2.256 34.493 21.593 1.00 20.05 C ATOM 860 CD ARG A 112 2.589 34.355 23.073 1.00 21.47 C ATOM 861 NE ARG A 112 3.824 33.611 23.295 1.00 23.20 N ATOM 862 CZ ARG A 112 5.044 34.100 23.090 1.00 23.80 C ATOM 863 NH1 ARG A 112 5.210 35.345 22.654 1.00 24.44 N ATOM 864 NH2 ARG A 112 6.103 33.341 23.327 1.00 24.60 N ATOM 865 N ASN A 113 3.254 33.536 18.041 1.00 16.06 N ATOM 866 CA ASN A 113 4.030 34.358 17.118 1.00 16.21 C ATOM 867 C ASN A 113 3.629 34.334 15.662 1.00 15.91 C ATOM 868 O ASN A 113 3.928 35.273 14.923 1.00 15.92 O ATOM 869 CB ASN A 113 5.516 34.001 17.191 1.00 16.36 C ATOM 870 CG ASN A 113 6.124 34.346 18.516 1.00 16.92 C ATOM 871 OD1 ASN A 113 5.789 35.368 19.112 1.00 17.60 O ATOM 872 ND2 ASN A 113 7.038 33.508 18.988 1.00 16.89 N ATOM 873 N ARG A 114 2.941 33.284 15.242 1.00 15.83 N ATOM 874 CA ARG A 114 2.601 33.173 13.837 1.00 15.88 C ATOM 875 C ARG A 114 1.137 32.979 13.461 1.00 15.58 C ATOM 876 O ARG A 114 0.788 33.066 12.283 1.00 15.44 O ATOM 877 CB ARG A 114 3.456 32.054 13.249 1.00 16.16 C ATOM 878 CG ARG A 114 4.923 32.210 13.641 1.00 16.37 C ATOM 879 CD ARG A 114 5.788 31.140 13.042 1.00 16.79 C ATOM 880 NE ARG A 114 5.853 31.244 11.591 1.00 16.95 N ATOM 881 CZ ARG A 114 6.563 30.425 10.826 1.00 17.20 C ATOM 882 NH1 ARG A 114 7.266 29.447 11.385 1.00 17.05 N ATOM 883 NH2 ARG A 114 6.567 30.577 9.509 1.00 17.12 N ATOM 884 N CYS A 115 0.283 32.727 14.447 1.00 15.01 N ATOM 885 CA CYS A 115 -1.138 32.517 14.173 1.00 15.15 C ATOM 886 C CYS A 115 -2.013 33.556 14.843 1.00 15.54 C ATOM 887 O CYS A 115 -2.965 34.061 14.244 1.00 15.54 O ATOM 888 CB CYS A 115 -1.566 31.134 14.658 1.00 14.23 C ATOM 889 SG CYS A 115 -0.623 29.797 13.876 1.00 13.47 S ATOM 890 N LYS A 116 -1.691 33.849 16.098 1.00 16.06 N ATOM 891 CA LYS A 116 -2.445 34.816 16.889 1.00 16.77 C ATOM 892 C LYS A 116 -2.639 36.133 16.153 1.00 17.47 C ATOM 893 O LYS A 116 -1.672 36.733 15.685 1.00 17.23 O ATOM 894 CB LYS A 116 -1.723 35.092 18.210 1.00 16.77 C ATOM 895 CG LYS A 116 -2.545 35.888 19.219 1.00 16.68 C ATOM 896 CD LYS A 116 -1.766 36.057 20.515 1.00 16.86 C ATOM 897 CE LYS A 116 -2.646 36.592 21.632 1.00 17.21 C ATOM 898 NZ LYS A 116 -1.898 36.643 22.923 1.00 17.10 N ATOM 899 N GLY A 117 -3.890 36.574 16.057 1.00 18.33 N ATOM 900 CA GLY A 117 -4.186 37.839 15.399 1.00 19.50 C ATOM 901 C GLY A 117 -4.104 37.848 13.883 1.00 20.29 C ATOM 902 O GLY A 117 -4.084 38.917 13.263 1.00 20.85 O ATOM 903 N THR A 118 -4.053 36.671 13.275 1.00 20.76 N ATOM 904 CA THR A 118 -3.988 36.579 11.821 1.00 21.18 C ATOM 905 C THR A 118 -5.314 35.988 11.372 1.00 21.60 C ATOM 906 O THR A 118 -6.112 35.560 12.202 1.00 21.47 O ATOM 907 CB THR A 118 -2.828 35.661 11.356 1.00 21.26 C ATOM 908 OG1 THR A 118 -3.144 34.290 11.640 1.00 20.95 O ATOM 909 CG2 THR A 118 -1.545 36.031 12.080 1.00 21.02 C ATOM 910 N ASP A 119 -5.567 35.978 10.072 1.00 22.29 N ATOM 911 CA ASP A 119 -6.814 35.413 9.572 1.00 23.24 C ATOM 912 C ASP A 119 -6.678 33.890 9.532 1.00 23.24 C ATOM 913 O ASP A 119 -6.399 33.301 8.486 1.00 23.33 O ATOM 914 CB ASP A 119 -7.118 35.981 8.183 1.00 24.22 C ATOM 915 CG ASP A 119 -8.288 35.294 7.514 1.00 25.21 C ATOM 916 OD1 ASP A 119 -9.198 34.819 8.231 1.00 25.95 O ATOM 917 OD2 ASP A 119 -8.301 35.241 6.266 1.00 26.02 O ATOM 918 N VAL A 120 -6.882 33.255 10.682 1.00 23.40 N ATOM 919 CA VAL A 120 -6.746 31.807 10.788 1.00 23.57 C ATOM 920 C VAL A 120 -7.789 30.983 10.026 1.00 23.82 C ATOM 921 O VAL A 120 -7.566 29.801 9.755 1.00 23.57 O ATOM 922 CB VAL A 120 -6.725 31.367 12.271 1.00 23.48 C ATOM 923 CG1 VAL A 120 -5.556 32.031 12.987 1.00 23.39 C ATOM 924 CG2 VAL A 120 -8.028 31.735 12.945 1.00 23.42 C ATOM 925 N GLN A 121 -8.918 31.593 9.671 1.00 24.22 N ATOM 926 CA GLN A 121 -9.947 30.867 8.926 1.00 24.61 C ATOM 927 C GLN A 121 -9.352 30.376 7.612 1.00 24.33 C ATOM 928 O GLN A 121 -9.807 29.386 7.042 1.00 24.21 O ATOM 929 CB GLN A 121 -11.139 31.771 8.599 1.00 25.62 C ATOM 930 CG GLN A 121 -11.838 32.407 9.780 1.00 27.03 C ATOM 931 CD GLN A 121 -12.870 33.437 9.332 1.00 27.93 C ATOM 932 OE1 GLN A 121 -12.548 34.376 8.594 1.00 28.83 O ATOM 933 NE2 GLN A 121 -14.115 33.267 9.774 1.00 28.37 N ATOM 934 N ALA A 122 -8.340 31.086 7.127 1.00 24.10 N ATOM 935 CA ALA A 122 -7.690 30.723 5.874 1.00 23.85 C ATOM 936 C ALA A 122 -7.182 29.283 5.891 1.00 23.74 C ATOM 937 O ALA A 122 -7.131 28.620 4.856 1.00 23.31 O ATOM 938 CB ALA A 122 -6.538 31.675 5.592 1.00 23.99 C ATOM 939 N TRP A 123 -6.821 28.787 7.070 1.00 23.64 N ATOM 940 CA TRP A 123 -6.298 27.431 7.167 1.00 23.82 C ATOM 941 C TRP A 123 -7.301 26.309 6.915 1.00 24.13 C ATOM 942 O TRP A 123 -6.906 25.159 6.717 1.00 24.29 O ATOM 943 CB TRP A 123 -5.598 27.235 8.514 1.00 23.38 C ATOM 944 CG TRP A 123 -4.333 28.031 8.595 1.00 23.15 C ATOM 945 CD1 TRP A 123 -4.155 29.237 9.212 1.00 23.08 C ATOM 946 CD2 TRP A 123 -3.085 27.717 7.958 1.00 22.87 C ATOM 947 NE1 TRP A 123 -2.876 29.695 8.997 1.00 22.69 N ATOM 948 CE2 TRP A 123 -2.199 28.783 8.232 1.00 22.73 C ATOM 949 CE3 TRP A 123 -2.633 26.642 7.181 1.00 22.71 C ATOM 950 CZ2 TRP A 123 -0.885 28.804 7.753 1.00 22.71 C ATOM 951 CZ3 TRP A 123 -1.326 26.664 6.702 1.00 22.70 C ATOM 952 CH2 TRP A 123 -0.468 27.742 6.992 1.00 22.78 C ATOM 953 N ILE A 124 -8.592 26.629 6.920 1.00 24.52 N ATOM 954 CA ILE A 124 -9.605 25.611 6.662 1.00 25.10 C ATOM 955 C ILE A 124 -10.435 25.910 5.412 1.00 25.60 C ATOM 956 O ILE A 124 -11.361 25.174 5.083 1.00 25.37 O ATOM 957 CB ILE A 124 -10.564 25.419 7.872 1.00 25.03 C ATOM 958 CG1 ILE A 124 -11.227 26.743 8.252 1.00 25.01 C ATOM 959 CG2 ILE A 124 -9.798 24.834 9.053 1.00 24.87 C ATOM 960 CD1 ILE A 124 -12.300 26.595 9.320 1.00 25.42 C ATOM 961 N ARG A 125 -10.094 26.981 4.707 1.00 26.50 N ATOM 962 CA ARG A 125 -10.826 27.341 3.496 1.00 27.53 C ATOM 963 C ARG A 125 -10.677 26.219 2.473 1.00 27.70 C ATOM 964 O ARG A 125 -9.619 25.592 2.380 1.00 27.65 O ATOM 965 CB ARG A 125 -10.253 28.613 2.885 1.00 28.60 C ATOM 966 CG ARG A 125 -8.887 28.361 2.260 1.00 30.25 C ATOM 967 CD ARG A 125 -8.420 29.499 1.377 1.00 31.46 C ATOM 968 NE ARG A 125 -7.163 29.196 0.690 1.00 32.46 N ATOM 969 CZ ARG A 125 -6.080 28.676 1.271 1.00 33.00 C ATOM 970 NH1 ARG A 125 -6.075 28.378 2.565 1.00 33.14 N ATOM 971 NH2 ARG A 125 -4.983 28.474 0.552 1.00 33.20 N ATOM 972 N GLY A 126 -11.732 25.979 1.701 1.00 27.82 N ATOM 973 CA GLY A 126 -11.688 24.943 0.688 1.00 28.03 C ATOM 974 C GLY A 126 -11.842 23.532 1.223 1.00 28.22 C ATOM 975 O GLY A 126 -11.922 22.580 0.447 1.00 28.41 O ATOM 976 N CYS A 127 -11.886 23.388 2.544 1.00 28.33 N ATOM 977 CA CYS A 127 -12.029 22.072 3.161 1.00 28.52 C ATOM 978 C CYS A 127 -13.476 21.621 3.303 1.00 29.17 C ATOM 979 O CYS A 127 -14.347 22.403 3.678 1.00 29.03 O ATOM 980 CB CYS A 127 -11.363 22.069 4.528 1.00 28.16 C ATOM 981 SG CYS A 127 -9.535 22.368 4.437 1.00 27.05 S ATOM 982 N ARG A 128 -13.726 20.351 3.009 1.00 30.02 N ATOM 983 CA ARG A 128 -15.064 19.791 3.130 1.00 31.02 C ATOM 984 C ARG A 128 -15.222 19.345 4.577 1.00 31.39 C ATOM 985 O ARG A 128 -14.833 18.237 4.942 1.00 31.68 O ATOM 986 CB ARG A 128 -15.222 18.606 2.174 1.00 31.39 C ATOM 987 CG ARG A 128 -16.615 17.998 2.117 1.00 32.23 C ATOM 988 CD ARG A 128 -16.851 17.379 0.740 1.00 32.77 C ATOM 989 NE ARG A 128 -15.709 16.574 0.311 1.00 33.46 N ATOM 990 CZ ARG A 128 -15.431 16.272 -0.955 1.00 33.68 C ATOM 991 NH1 ARG A 128 -16.212 16.712 -1.935 1.00 33.91 N ATOM 992 NH2 ARG A 128 -14.368 15.528 -1.241 1.00 33.87 N ATOM 993 N LEU A 129 -15.783 20.230 5.395 1.00 31.86 N ATOM 994 CA LEU A 129 -15.988 19.973 6.818 1.00 32.32 C ATOM 995 C LEU A 129 -17.457 19.962 7.223 1.00 32.52 C ATOM 996 O LEU A 129 -17.782 19.246 8.194 1.00 32.73 O ATOM 997 CB LEU A 129 -15.230 21.012 7.649 1.00 32.46 C ATOM 998 CG LEU A 129 -13.788 20.673 8.051 1.00 32.74 C ATOM 999 CD1 LEU A 129 -13.094 19.891 6.956 1.00 32.83 C ATOM 1000 CD2 LEU A 129 -13.035 21.960 8.353 1.00 32.94 C ATOM 1001 OXT LEU A 129 -18.258 20.677 6.580 1.00 32.74 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 5.755 11.155 9.390 1.00 17.82 O HETATM 1004 O HOH A 131 10.366 6.155 31.096 1.00 25.83 O HETATM 1005 O HOH A 132 2.979 10.366 5.590 1.00 28.11 O HETATM 1006 O HOH A 133 3.392 7.472 10.684 1.00 33.28 O HETATM 1007 O HOH A 134 4.675 4.456 21.901 1.00 42.83 O HETATM 1008 O HOH A 135 1.063 18.603 4.296 1.00 31.39 O HETATM 1009 O HOH A 136 -1.219 20.667 3.085 1.00 43.65 O HETATM 1010 O HOH A 137 -5.834 17.153 2.780 1.00 24.47 O HETATM 1011 O HOH A 138 -11.335 18.688 1.786 1.00 30.08 O HETATM 1012 O HOH A 139 -9.114 13.240 8.350 1.00 26.76 O HETATM 1013 O HOH A 140 -14.850 20.061 16.741 1.00 25.49 O HETATM 1014 O HOH A 141 -15.073 29.373 19.327 1.00 51.15 O HETATM 1015 O HOH A 142 -11.501 31.611 17.639 1.00 26.05 O HETATM 1016 O HOH A 143 -9.685 33.417 15.660 1.00 24.16 O HETATM 1017 O HOH A 144 -6.191 33.747 16.744 1.00 24.14 O HETATM 1018 O HOH A 145 4.455 33.240 9.763 1.00 21.26 O HETATM 1019 O HOH A 146 1.742 33.767 9.762 1.00 26.09 O HETATM 1020 O HOH A 147 -3.573 39.533 18.248 1.00 32.03 O HETATM 1021 O HOH A 148 -8.227 31.650 26.269 1.00 10.08 O HETATM 1022 O HOH A 149 -10.700 31.761 23.824 1.00 20.74 O HETATM 1023 O HOH A 150 -6.350 28.488 29.585 1.00 32.54 O HETATM 1024 O HOH A 151 -2.256 27.192 28.584 1.00 24.44 O HETATM 1025 O HOH A 152 0.082 26.873 30.746 1.00 51.69 O HETATM 1026 O HOH A 153 -11.322 29.029 11.737 1.00 17.78 O HETATM 1027 O HOH A 154 -14.449 32.109 20.575 1.00 34.78 O HETATM 1028 O HOH A 155 8.287 17.974 10.535 1.00 23.30 O HETATM 1029 O HOH A 156 19.039 10.321 25.412 1.00 30.12 O HETATM 1030 O HOH A 157 -0.250 12.067 16.684 1.00 25.93 O HETATM 1031 O HOH A 158 -1.058 11.347 18.980 1.00 22.60 O HETATM 1032 O HOH A 159 -3.215 8.419 19.674 1.00 19.78 O HETATM 1033 O HOH A 160 -0.957 7.225 20.528 1.00 32.73 O HETATM 1034 O HOH A 161 11.662 13.443 15.019 1.00 15.30 O HETATM 1035 O HOH A 162 14.001 15.091 26.684 1.00 15.97 O HETATM 1036 O HOH A 163 9.160 22.695 19.131 1.00 27.74 O HETATM 1037 O HOH A 164 5.570 26.094 22.356 1.00 27.07 O HETATM 1038 O HOH A 165 3.908 21.675 25.572 1.00 20.27 O HETATM 1039 O HOH A 166 -14.165 24.891 5.077 1.00 35.17 O HETATM 1040 O HOH A 167 1.752 16.517 19.775 1.00 14.21 O HETATM 1041 O HOH A 168 9.723 13.081 30.906 1.00 16.02 O HETATM 1042 O HOH A 169 7.579 14.590 32.172 1.00 28.89 O HETATM 1043 O HOH A 170 11.790 11.712 32.861 1.00 22.77 O HETATM 1044 O HOH A 171 12.998 13.027 37.951 1.00 56.85 O HETATM 1045 O HOH A 172 -3.054 12.019 26.148 1.00 38.86 O HETATM 1046 O HOH A 173 -8.417 15.825 27.631 1.00 31.85 O HETATM 1047 O HOH A 174 -7.255 11.238 28.350 1.00 51.87 O HETATM 1048 O HOH A 175 1.057 36.302 15.219 1.00 23.08 O HETATM 1049 O HOH A 176 -1.304 12.275 4.515 1.00 43.84 O HETATM 1050 O HOH A 177 3.493 19.758 5.089 1.00 40.19 O HETATM 1051 O HOH A 178 -2.395 19.106 0.781 1.00 48.73 O HETATM 1052 O HOH A 179 2.047 20.288 38.884 1.00 51.11 O HETATM 1053 O HOH A 180 -2.974 22.833 1.053 1.00 49.75 O HETATM 1054 O HOH A 181 -0.492 24.165 4.057 1.00 46.02 O HETATM 1055 O HOH A 182 -1.812 22.026 34.783 1.00 44.69 O HETATM 1056 O HOH A 183 -5.509 19.514 2.011 1.00 30.74 O HETATM 1057 O HOH A 184 -1.940 15.447 1.016 1.00 40.35 O HETATM 1058 O HOH A 185 -7.125 19.488 34.175 1.00 52.67 O HETATM 1059 O HOH A 186 -8.712 10.944 10.080 1.00 51.11 O HETATM 1060 O HOH A 187 -16.518 18.313 -5.031 1.00 48.47 O HETATM 1061 O HOH A 188 -14.789 24.100 25.375 1.00 36.21 O HETATM 1062 O HOH A 189 -13.709 24.526 33.205 1.00 34.52 O HETATM 1063 O HOH A 190 -11.485 32.352 13.106 1.00 45.64 O HETATM 1064 O HOH A 191 -7.636 38.593 15.701 1.00 45.89 O HETATM 1065 O HOH A 192 -7.100 35.619 14.968 1.00 36.03 O HETATM 1066 O HOH A 193 -9.765 34.336 11.570 1.00 40.58 O HETATM 1067 O HOH A 194 -3.941 37.293 8.197 1.00 42.81 O HETATM 1068 O HOH A 195 7.529 24.975 19.915 1.00 35.55 O HETATM 1069 O HOH A 196 1.412 13.843 16.735 1.00 23.53 O HETATM 1070 O HOH A 197 16.256 18.702 17.965 1.00 25.01 O HETATM 1071 O HOH A 198 19.265 19.247 18.982 1.00 45.21 O HETATM 1072 O HOH A 199 20.559 17.286 26.686 1.00 49.15 O HETATM 1073 O HOH A 200 10.394 23.046 29.239 1.00 32.32 O HETATM 1074 O HOH A 201 12.654 25.253 31.439 1.00 35.55 O HETATM 1075 O HOH A 202 -17.617 22.238 4.505 1.00 33.46 O HETATM 1076 O HOH A 203 3.086 23.890 24.292 1.00 38.49 O HETATM 1077 O HOH A 204 4.348 25.724 26.842 1.00 41.44 O HETATM 1078 O HOH A 205 5.308 23.500 22.417 1.00 41.57 O HETATM 1079 O HOH A 206 -10.833 30.194 26.946 1.00 53.90 O HETATM 1080 O HOH A 207 -13.425 28.273 29.030 1.00 54.27 O HETATM 1081 O HOH A 208 -8.543 28.897 31.189 1.00 57.65 O HETATM 1082 O HOH A 209 6.556 24.022 26.465 1.00 40.42 O HETATM 1083 O HOH A 210 5.944 26.570 31.229 1.00 55.81 O HETATM 1084 O HOH A 211 7.449 12.309 33.722 1.00 40.13 O HETATM 1085 O HOH A 212 2.552 17.344 40.050 1.00 53.99 O HETATM 1086 O HOH A 213 3.426 7.278 31.374 1.00 37.48 O HETATM 1087 O HOH A 214 -4.490 9.653 25.866 1.00 42.09 O HETATM 1088 O HOH A 215 -2.322 6.603 24.095 1.00 52.21 O HETATM 1089 O HOH A 216 -1.086 5.345 22.222 1.00 57.43 O HETATM 1090 O HOH A 217 1.341 4.943 14.612 1.00 41.55 O HETATM 1091 O HOH A 218 0.223 2.484 13.366 1.00 45.85 O HETATM 1092 O HOH A 219 -9.960 17.802 29.549 1.00 50.91 O HETATM 1093 O HOH A 220 -12.500 17.359 27.677 1.00 48.44 O HETATM 1094 O HOH A 221 1.752 25.542 29.378 1.00 49.57 O HETATM 1095 O HOH A 222 4.686 37.671 19.511 1.00 39.57 O HETATM 1096 O HOH A 223 0.290 38.499 21.919 1.00 37.28 O HETATM 1097 O HOH A 224 -2.792 32.507 9.539 1.00 30.57 O HETATM 1098 O HOH A 225 -10.285 33.095 4.898 1.00 48.93 O HETATM 1099 O HOH A 226 -8.308 22.984 -0.597 1.00 39.86 O HETATM 1100 O HOH A 227 -3.822 18.545 35.753 1.00 46.04 O HETATM 1101 O HOH A 228 8.698 23.677 15.633 1.00 40.74 O HETATM 1102 O HOH A 229 17.281 8.221 29.968 1.00 37.77 O HETATM 1103 O HOH A 230 7.576 4.130 24.433 1.00 37.44 O HETATM 1104 O HOH A 231 -6.508 10.674 13.741 1.00 32.32 O HETATM 1105 O HOH A 232 -15.414 9.176 15.771 1.00 49.39 O HETATM 1106 O HOH A 233 -3.387 20.300 33.236 1.00 54.60 O HETATM 1107 O HOH A 234 -16.608 21.173 19.027 1.00 60.61 O HETATM 1108 O HOH A 235 -13.803 27.239 11.874 1.00 47.53 O HETATM 1109 O HOH A 236 -13.597 16.904 24.980 1.00 46.47 O HETATM 1110 O HOH A 237 -19.493 18.625 -0.191 1.00 46.73 O HETATM 1111 O HOH A 238 20.330 15.431 29.212 1.00 62.80 O HETATM 1112 O HOH A 239 7.843 26.212 15.338 1.00 30.87 O HETATM 1113 O HOH A 240 -17.357 31.273 21.199 1.00 46.14 O HETATM 1114 O HOH A 241 -12.452 33.213 15.736 1.00 59.08 O HETATM 1115 O HOH A 242 -15.639 28.289 24.740 1.00 42.35 O HETATM 1116 O HOH A 243 -10.705 36.602 14.723 1.00 56.56 O HETATM 1117 O HOH A 244 -5.488 11.619 30.382 1.00 46.25 O HETATM 1118 O HOH A 245 -6.251 35.275 4.746 1.00 42.82 O HETATM 1119 O HOH A 246 -3.819 28.295 4.190 1.00 51.54 O HETATM 1120 O HOH A 247 -15.563 20.096 25.445 1.00 42.99 O HETATM 1121 O HOH A 248 -12.534 18.232 30.338 1.00 50.07 O HETATM 1122 O HOH A 249 -6.897 10.821 8.256 1.00 48.35 O HETATM 1123 O HOH A 250 -14.659 15.334 10.879 1.00 33.84 O HETATM 1124 O HOH A 251 -16.062 17.400 9.320 1.00 61.10 O HETATM 1125 O HOH A 252 -19.775 17.577 2.294 1.00 50.89 O HETATM 1126 O HOH A 253 -18.866 19.911 2.018 1.00 52.30 O HETATM 1127 O HOH A 254 4.363 8.178 8.032 1.00 54.58 O HETATM 1128 O HOH A 255 19.603 19.387 25.661 1.00 35.08 O HETATM 1129 O HOH A 256 -3.159 15.375 35.332 1.00 52.40 O HETATM 1130 O HOH A 257 3.846 6.218 18.526 1.00 35.38 O HETATM 1131 O HOH A 258 0.948 41.301 20.670 1.00 50.83 O HETATM 1132 O HOH A 259 -0.747 39.064 14.832 1.00 40.18 O HETATM 1133 O HOH A 260 1.556 13.013 3.370 1.00 45.19 O HETATM 1134 O HOH A 261 -15.045 18.754 22.719 1.00 48.07 O HETATM 1135 O HOH A 262 11.541 25.700 23.435 1.00 42.57 O HETATM 1136 O HOH A 263 -12.089 29.767 -0.559 1.00 43.34 O HETATM 1137 O HOH A 264 -8.845 33.231 2.611 1.00 42.71 O HETATM 1138 O HOH A 265 -14.958 31.865 14.848 1.00 44.34 O HETATM 1139 O HOH A 266 17.325 16.323 30.574 1.00 36.89 O HETATM 1140 O HOH A 267 -4.073 7.455 33.824 1.00 41.45 O HETATM 1141 O HOH A 268 -8.040 29.085 27.804 1.00 43.92 O HETATM 1142 O HOH A 269 -0.666 39.528 18.664 1.00 42.93 O HETATM 1143 O HOH A 270 1.970 22.317 4.018 1.00 47.35 O HETATM 1144 O HOH A 271 -2.541 31.648 1.754 1.00 44.81 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 288 0 0 7 3 0 0 6 1143 1 8 10 END