HEADER GLYCOSYL HYDROLASE 06-JUN-96 1QBA TITLE BACTERIAL CHITOBIASE, GLYCOSYL HYDROLASE FAMILY 20 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHITOBIASE; COMPND 3 CHAIN: NULL; COMPND 4 SYNONYM: BETA-N-ACETYLHEXOSAMINIDASE, COMPND 5 N-ACETYL-BETA-D-GLUCOSAMINIDASE; COMPND 6 EC: 3.2.1.52; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 4 EXPRESSION_SYSTEM_STRAIN: A5484; SOURCE 5 EXPRESSION_SYSTEM_PLASMID: PEMBL18 SOURCE 6 EXPRESSION_SYSTEM_CELLULAR_LOCATION: PERIPLASM; SOURCE 7 OTHER_DETAILS: PERIPLASMATIC TARGETING SEQUENCE RESIDUES SOURCE 8 1-27 CLEAVED OFF DURING MATURATION KEYWDS GLYCOSYL HYDROLASE, CHITOBIASE, CHITINOLYSIS, BA8-BARREL EXPDTA X-RAY DIFFRACTION AUTHOR I.TEWS,A.PERRAKIS,A.OPPENHEIM,Z.DAUTER,K.S.WILSON, AUTHOR 2 C.E.VORGIAS REVDAT 1 11-JAN-97 1QBA 0 JRNL AUTH I.TEWS,A.PERRAKIS,A.OPPENHEIM,Z.DAUTER,K.S.WILSON, JRNL AUTH 2 C.E.VORGIAS JRNL TITL BACTERIAL CHITOBIASE STRUCTURE PROVIDES INSIGHT JRNL TITL 2 INTO CATALYTIC MECHANISM AND THE BASIS OF TAY-SACHS JRNL TITL 3 DISEASE JRNL REF NAT.STRUCT.BIOL. V. 3 638 1996 JRNL REFN ASTM NSBIEW US ISSN 1072-8368 2024 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH I.TEWS,R.VINCENTELLI,C.E.VORGIAS REMARK 1 TITL N-ACETYLGLUCOSAMINIDASE (CHITOBIASE) FROM SERRATIA REMARK 1 TITL 2 MARCESCENS: GENE SEQUENCE, AND PROTEIN PRODUCTION REMARK 1 TITL 3 AND PURIFICATION IN ESCHERICHIA COLI REMARK 1 REF GENE V. 170 63 1996 REMARK 1 REFN ASTM GENED6 NE ISSN 0378-1119 0861 REMARK 1 REFERENCE 2 REMARK 1 AUTH I.TEWS REMARK 1 REF SERRATIA MARCESCENS 1996 REMARK 1 REF 2 CHITOBIASE REMARK 1 PUBL HEIDELBERG : UNIVERSITY OF HEIDELBERG (THESIS) REMARK 1 REFN ASTM GW ISBN 2116 REMARK 1 REFERENCE 3 REMARK 1 AUTH H.KLESS,Y.SITRIT,I.CHET,A.B.OPPENHEIM REMARK 1 TITL CLONING OF THE GENE CODING FOR CHITOBIASE OF REMARK 1 TITL 2 SERRATIA MARCESCENS REMARK 1 REF MGG,MOL.GEN.GENET. V. 217 471 1989 REMARK 1 REFN ASTM MGGEAE GW ISSN 0026-8925 0813 REMARK 2 REMARK 2 RESOLUTION. 1.85 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.0 REMARK 3 DATA CUTOFF (SIGMA(F)) : -4.0 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 82584 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : R-FREE REMARK 3 FREE R VALUE TEST SET SELECTION : X-PLOR REMARK 3 R VALUE (WORKING + TEST SET) : 0.146 REMARK 3 R VALUE (WORKING SET) : 0.139 REMARK 3 FREE R VALUE : 0.196 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10. REMARK 3 FREE R VALUE TEST SET COUNT : 8303 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.146 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.139 REMARK 3 FREE R VALUE (NO CUTOFF) : 0.196 REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : 10. REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : 8303 REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 82854 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 6807 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 20 REMARK 3 SOLVENT ATOMS : 771 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 17.114 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.963 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) : NULL REMARK 3 ESD FROM SIGMAA (A) : 0.115 REMARK 3 LOW RESOLUTION CUTOFF (A) : 4.5 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.020 ; 0.020 REMARK 3 ANGLE DISTANCE (A) : 0.026 ; 0.020 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.031 ; 0.030 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.023 ; 0.020 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.121 ; 0.100 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.175 ; 0.300 REMARK 3 MULTIPLE TORSION (A) : 0.262 ; 0.300 REMARK 3 H-BOND (X...Y) (A) : 0.179 ; 0.300 REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : 4.6 ; 6.0 REMARK 3 STAGGERED (DEGREES) : 17.4 ; 20.0 REMARK 3 TRANSVERSE (DEGREES) : 26.6 ; 30.0 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.9 ; 2.0 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.7 ; 3.0 REMARK 3 SIDE-CHAIN BOND (A**2) : 4.8 ; 3.0 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 7.2 ; 4.0 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE MODEL WAS REFINED WITH PROLSQ AGAINST AMPLITUDES REMARK 3 (ISOTROPIC TEMPERATURE FACTORS). THE ENTIRE REFINEMENT REMARK 3 USED ARP (V.LAMZIN) TO AUTOMATICALLY FIND AND ELIMINATE REMARK 3 WATER MOLECULES (AUTOMATIC SIGMA CUTOFF) AND TO REFINE REMARK 3 THEIR POSITIONS BY REAL SPACE REFINEMENT. REMARK 3 THE CONTRIBUTION OF HYDROGENS WAS USED IN THE LAST CYCLES REMARK 3 OF REFINEMENT. HYDROGEN POSITIONS WHERE CALCULATED USING REMARK 3 HGEN (CCP4) BUT NOT REFINED, I.E. IN EVERY REFINEMENT REMARK 3 CYCLE REGENERATED. REMARK 3 THE OCCUPANCIES OF RESIDUES WITH MORE THAN ONE REMARK 3 CONFORMATION WERE ADJUSTED AFTER DENSITY INSPECTION REMARK 3 WITH CHECKDENS (V.LAMZIN) AND INTRODUCED IN THE VERY REMARK 3 LAST CYCLES OF REFINEMENT. REMARK 4 REMARK 4 1QBA COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996 REMARK 6 REMARK 6 THE FOLLOWING RESIDUES WERE MODELED IN TWO CONFORMATIONS: REMARK 6 93, 180, 193, 218, 254, 255, 407, 437, 500, 596, 642, 690, REMARK 6 697, 703, 738, 872. REMARK 7 REMARK 7 RESIDUES 155 AND 156: THERE IS ONLY WEAK DENSITY AND THESE REMARK 7 RESIDUES MAY FORM (TWO OR MORE) ALTERNATIVE LOOP REMARK 7 CONFORMATIONS. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-MAY-1994 REMARK 200 TEMPERATURE (KELVIN) : 277 REMARK 200 PH : 5.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DESY REMARK 200 BEAMLINE : X31 REMARK 200 X-RAY GENERATOR MODEL : SYNCHROTRON REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.000 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : SEGMENTED TOROIDAL MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : 200 MM IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : DESY REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 82854 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.85 REMARK 200 RESOLUTION RANGE LOW (A) : 10.0 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.0 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 5.5 REMARK 200 R MERGE (I) : 0.062 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.8 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.88 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 REMARK 200 DATA REDUNDANCY IN SHELL : 3.2 REMARK 200 R MERGE FOR SHELL (I) : 0.276 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.2 REMARK 200 REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MULTIPLE REMARK 200 ISOMORPHOUS REPLACEMENT REMARK 200 SOFTWARE USED: PHASES REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: REMARK 200 THE MONOCHROMATOR USED WAS A SI(111) CHANNEL CUT DOUBLE REMARK 200 FACE DESIGN. THE OPTICS USED WAS SEGMENTED TOROIDAL GOLD REMARK 200 PLATED QUARTZ MIRROR. THE DETECTOR USED WAS THE EMBL RED REMARK 200 IMAGING PLATE SCANNER, A PROTOTYPE OF THE MARRESEARCH REMARK 200 IMAGING PLATE SCANNER. REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.4 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.4 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: REMARK 280 CRYSTAL WERE GROWN AT ROOM TEMPERATURE FROM HANGING DROPS REMARK 280 CONTAINING 62% SATURATED AMMONIUM SULFATE, 1.5% REMARK 280 ISOPROPANOL AND 100 MM CACODYLATE, PH 5.6. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 1/2-X,1/2+Y,-Z REMARK 290 4555 1/2+X,1/2-Y,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 55.35260 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 49.95005 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 55.35260 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 49.95005 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 THE PERIPLASMATIC TARGETING SEQUENCE RESIDUES 1-27 REMARK 650 WERE CLEAVED OFF DURING MATURATION. REMARK 700 REMARK 700 SHEET REMARK 700 THE SHEET PRESENTED AS BAB ON SHEET RECORDS BELOW IS REMARK 700 ACTUALLY AN 8-STRANDED BETA-BARREL. THIS IS REMARK 700 REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND REMARK 700 LAST STRANDS ARE IDENTICAL. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 1QBB,1QBC AND 1QBD REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 THE STRUCTURE FACTORS FOR THIS EXPERIMENT ARE AVAILABLE AS REMARK 900 PDB FILE R1QBASF.ENT REMARK 999 REMARK 999 SEQUENCE REMARK 999 1QBA GB L43594 1 - 27 NOT IN ATOMS LIST DBREF 1QBA 28 885 GB 1369888 L43594 28 885 SEQADV 1QBA GLY 805 EMBL L43594 ALA 803 CONFLICT SEQRES 1 858 ASP GLN GLN LEU VAL ASP GLN LEU SER GLN LEU LYS LEU SEQRES 2 858 ASN VAL LYS MET LEU ASP ASN ARG ALA GLY GLU ASN GLY SEQRES 3 858 VAL ASP CYS ALA ALA LEU GLY ALA ASP TRP ALA SER CYS SEQRES 4 858 ASN ARG VAL LEU PHE THR LEU SER ASN ASP GLY GLN ALA SEQRES 5 858 ILE ASP GLY LYS ASP TRP VAL ILE TYR PHE HIS SER PRO SEQRES 6 858 ARG GLN THR LEU ARG VAL ASP ASN ASP GLN PHE LYS ILE SEQRES 7 858 ALA HIS LEU THR GLY ASP LEU TYR LYS LEU GLU PRO THR SEQRES 8 858 ALA LYS PHE SER GLY PHE PRO ALA GLY LYS ALA VAL GLU SEQRES 9 858 ILE PRO VAL VAL ALA GLU TYR TRP GLN LEU PHE ARG ASN SEQRES 10 858 ASP PHE LEU PRO ARG TRP TYR ALA THR SER GLY ASP ALA SEQRES 11 858 LYS PRO LYS MET LEU ALA ASN THR ASP THR GLU ASN LEU SEQRES 12 858 ASP GLN PHE VAL ALA PRO PHE THR GLY ASP GLN TRP LYS SEQRES 13 858 ARG THR LYS ASP ASP LYS ASN ILE LEU MET THR PRO ALA SEQRES 14 858 SER ARG PHE VAL SER ASN ALA ASP LEU GLN THR LEU PRO SEQRES 15 858 ALA GLY ALA LEU ARG GLY LYS ILE VAL PRO THR PRO MET SEQRES 16 858 GLN VAL LYS VAL HIS ALA GLN ASP ALA ASP LEU ARG LYS SEQRES 17 858 GLY VAL ALA LEU ASP LEU SER THR LEU VAL LYS PRO ALA SEQRES 18 858 ALA ASP VAL VAL SER GLN ARG PHE ALA LEU LEU GLY VAL SEQRES 19 858 PRO VAL GLN THR ASN GLY TYR PRO ILE LYS THR ASP ILE SEQRES 20 858 GLN PRO GLY LYS PHE LYS GLY ALA MET ALA VAL SER GLY SEQRES 21 858 ALA TYR GLU LEU LYS ILE GLY LYS LYS GLU ALA GLN VAL SEQRES 22 858 ILE GLY PHE ASP GLN ALA GLY VAL PHE TYR GLY LEU GLN SEQRES 23 858 SER ILE LEU SER LEU VAL PRO SER ASP GLY SER GLY LYS SEQRES 24 858 ILE ALA THR LEU ASP ALA SER ASP ALA PRO ARG PHE PRO SEQRES 25 858 TYR ARG GLY ILE PHE LEU ASP VAL ALA ARG ASN PHE HIS SEQRES 26 858 LYS LYS ASP ALA VAL LEU ARG LEU LEU ASP GLN MET ALA SEQRES 27 858 ALA TYR LYS LEU ASN LYS PHE HIS PHE HIS LEU SER ASP SEQRES 28 858 ASP GLU GLY TRP ARG ILE GLU ILE PRO GLY LEU PRO GLU SEQRES 29 858 LEU THR GLU VAL GLY GLY GLN ARG CYS HIS ASP LEU SER SEQRES 30 858 GLU THR THR CYS LEU LEU PRO GLN TYR GLY GLN GLY PRO SEQRES 31 858 ASP VAL TYR GLY GLY PHE PHE SER ARG GLN ASP TYR ILE SEQRES 32 858 ASP ILE ILE LYS TYR ALA GLN ALA ARG GLN ILE GLU VAL SEQRES 33 858 ILE PRO GLU ILE ASP MET PRO ALA HIS ALA ARG ALA ALA SEQRES 34 858 VAL VAL SER MET GLU ALA ARG TYR LYS LYS LEU HIS ALA SEQRES 35 858 ALA GLY LYS GLU GLN GLU ALA ASN GLU PHE ARG LEU VAL SEQRES 36 858 ASP PRO THR ASP THR SER ASN THR THR SER VAL GLN PHE SEQRES 37 858 PHE ASN ARG GLN SER TYR LEU ASN PRO CYS LEU ASP SER SEQRES 38 858 SER GLN ARG PHE VAL ASP LYS VAL ILE GLY GLU ILE ALA SEQRES 39 858 GLN MET HIS LYS GLU ALA GLY GLN PRO ILE LYS THR TRP SEQRES 40 858 HIS PHE GLY GLY ASP GLU ALA LYS ASN ILE ARG LEU GLY SEQRES 41 858 ALA GLY TYR THR ASP LYS ALA LYS PRO GLU PRO GLY LYS SEQRES 42 858 GLY ILE ILE ASP GLN GLY ASN GLU ASP LYS PRO TRP ALA SEQRES 43 858 LYS SER GLN VAL CYS GLN THR MET ILE LYS GLU GLY LYS SEQRES 44 858 VAL ALA ASP MET GLU HIS LEU PRO SER TYR PHE GLY GLN SEQRES 45 858 GLU VAL SER LYS LEU VAL LYS ALA HIS GLY ILE ASP ARG SEQRES 46 858 MET GLN ALA TRP GLN ASP GLY LEU LYS ASP ALA GLU SER SEQRES 47 858 SER LYS ALA PHE ALA THR SER ARG VAL GLY VAL ASN PHE SEQRES 48 858 TRP ASP THR LEU TYR TRP GLY GLY PHE ASP SER VAL ASN SEQRES 49 858 ASP TRP ALA ASN LYS GLY TYR GLU VAL VAL VAL SER ASN SEQRES 50 858 PRO ASP TYR VAL TYR MET ASP PHE PRO TYR GLU VAL ASN SEQRES 51 858 PRO ASP GLU ARG GLY TYR TYR TRP GLY THR ARG PHE SER SEQRES 52 858 ASP GLU ARG LYS VAL PHE SER PHE ALA PRO ASP ASN MET SEQRES 53 858 PRO GLN ASN ALA GLU THR SER VAL ASP ARG ASP GLY ASN SEQRES 54 858 HIS PHE ASN ALA LYS SER ASP LYS PRO TRP PRO GLY ALA SEQRES 55 858 TYR GLY LEU SER ALA GLN LEU TRP SER GLU THR GLN ARG SEQRES 56 858 THR ASP PRO GLN MET GLU TYR MET ILE PHE PRO ARG ALA SEQRES 57 858 LEU SER VAL ALA GLU ARG SER TRP HIS ARG ALA GLY TRP SEQRES 58 858 GLU GLN ASP TYR ARG ALA GLY ARG GLU TYR LYS GLY GLY SEQRES 59 858 GLU THR HIS PHE VAL ASP THR GLN ALA LEU GLU LYS ASP SEQRES 60 858 TRP LEU ARG PHE ALA ASN ILE LEU GLY GLN ARG GLU LEU SEQRES 61 858 ALA LYS LEU ASP LYS GLY GLY VAL ALA TYR ARG LEU PRO SEQRES 62 858 VAL PRO GLY ALA ARG VAL ALA GLY GLY LYS LEU GLU ALA SEQRES 63 858 ASN ILE ALA LEU PRO GLY LEU GLY ILE GLU TYR SER THR SEQRES 64 858 ASP GLY GLY LYS GLN TRP GLN ARG TYR ASP ALA LYS ALA SEQRES 65 858 LYS PRO ALA VAL SER GLY GLU VAL GLN VAL ARG SER VAL SEQRES 66 858 SER PRO ASP GLY LYS ARG TYR SER ARG ALA GLU LYS VAL HET SO4 1 5 HET SO4 2 5 HET SO4 3 5 HET SO4 4 5 HETNAM SO4 SULFATE ION FORMUL 2 SO4 4(O4 S1 2-) FORMUL 3 HOH *771(H2 O1) HELIX 1 1-1 ASP 28 GLN 37 1 TRUNCATED, SEE REAMRK 650 10 HELIX 2 1-2 ALA 49 ASN 52 5 D-I 3-10 HELIX-2 4 HELIX 3 1-3 ASP 62 ALA 64 5 D-I 3-10 HELIX-3 3 HELIX 4 1-4 ARG 143 ASP 145 5 D-I 3-10 HELIX-4 3 HELIX 5 1-5 ALA 163 THR 165 5 D-I 3-10 HELIX-5 3 HELIX 6 1-6 LEU 170 GLN 172 5 D-I 3-10 HELIX-6 3 HELIX 7 LI1 PRO 195 SER 201 1 LINKER-REGION HELIX-1 7 HELIX 8 LI2 ALA 210 LEU 213 5 LINKER-REGION 3-10 HELIX-2 4 HELIX 9 2-1 LYS 246 LEU 258 1 D-II HELIX-1 PARALLEL TO 2-4 13 HELIX 10 2-2 PRO 276 LYS 278 5 D-II 3-10 HELIX-2 3 HELIX 11 2-3 GLY 281 MET 283 5 D-II 3-10 HELIX-3 3 HELIX 12 2-4 GLN 305 LEU 318 1 D-II HELIX-4 PARALLEL TO 2-1 14 HELIX 13 A1 LYS 354 TYR 367 1 B/A-BARREL HELIX ALPHA-1 14 HELIX 14 L21 PRO 390 GLU 394 1 D-III LOOP-2 HELIX-1 5 HELIX 15 A2 ARG 426 ALA 438 1 B/A-BARREL HELIX ALPHA-2 13 HELIX 16 L31 ARG 454 ALA 469 1 D-III LOOP-3 HELIX-1 16 HELIX 17 L32 GLU 473 GLU 478 1 D-III LOOP-3 HELIX-2 6 HELIX 18 L33 ARG 498 SER 500 5 D-III LOOP-3 3-10 HELIX-3 3 HELIX 19 A3 ASP 507 ALA 527 1 B/A-BARREL HELIX ALPHA-3 21 HELIX 20 L41 ILE 544 LEU 546 5 D-III LOOP-4 3-10 HELIX-1 3 HELIX 21 L42 GLN 576 LYS 583 1 D-III LOOP-4 HELIX-2 8 HELIX 22 A4 MET 590 HIS 608 1 B/A-BARREL HELIX ALPHA-4 19 HELIX 23 L51 GLN 617 LEU 620 5 D-III LOOP-5 3-10 HELIX-1 4 HELIX 24 A5 SER 626 ALA 628 5 B/A-BARREL 3-10 HELIX ALPHA-5 3 HELIX 25 A6 GLY 646 LYS 656 1 B/A-BARREL HELIX ALPHA-6 11 HELIX 26 L71 PRO 665 VAL 668 1 D-III LOOP-7 HELIX-1 4 HELIX 27 L72 GLU 692 SER 697 1 D-III LOOP-7 HELIX-2 6 HELIX 28 L73 MET 703 GLU 708 5 D-III LOOP-7 3-10 HELIX-3 6 HELIX 29 A8A ASP 744 ILE 751 1 B/A-BARREL HELIX ALPHA-8A 8 HELIX 30 A8B ARG 754 TRP 763 1 B/A-BARREL HELIX ALPHA-8B 10 HELIX 31 X1 THR 788 GLN 804 1 D-III EXTRA LOOP HELIX-1 17 HELIX 32 X2 GLU 806 LYS 812 1 D-III EXTRA LOOP HELIX-2 7 HELIX 33 4-1 ASP 856 LYS 858 5 D-IV 3-10 HELIX-1 3 SHEET 1 A 4 LYS 39 ASP 46 0 SHEET 2 A 4 CYS 66 SER 74 -1 N SER 74 O LYS 39 SHEET 3 A 4 ALA 129 GLU 137 -1 N ALA 136 O ASN 67 SHEET 4 A 4 THR 95 VAL 98 -1 N LEU 96 O VAL 135 SHEET 1 B 5 LYS 160 LEU 162 0 SHEET 2 B 5 TYR 151 THR 153 -1 N ALA 152 O LYS 160 SHEET 3 B 5 VAL 86 HIS 90 -1 N TYR 88 O TYR 151 SHEET 4 B 5 LEU 112 PRO 117 -1 N LEU 115 O ILE 87 SHEET 5 B 5 PHE 103 HIS 107 -1 N ALA 106 O LYS 114 SHEET 1 C 6 GLN 223 VAL 226 0 SHEET 2 C 6 LEU 330 ASP 334 -1 N SER 333 O GLN 223 SHEET 3 C 6 TYR 289 ILE 293 -1 N ILE 293 O LEU 330 SHEET 4 C 6 GLU 297 GLY 302 -1 N ILE 301 O GLU 290 SHEET 5 C 6 TYR 268 ILE 274 1 N LYS 271 O ALA 298 SHEET 6 C 6 VAL 237 LEU 239 1 N ALA 238 O TYR 268 SHEET 1 D 2 ASP 230 ASP 232 0 SHEET 2 D 2 LYS 326 ALA 328 -1 N ILE 327 O ALA 231 SHEET 1 BAB 9 GLY 731 LEU 736 0 SHEET 2 BAB 9 TYR 340 ASP 346 1 N GLY 342 O LEU 732 SHEET 3 BAB 9 LYS 371 HIS 375 1 N LYS 371 O ARG 341 SHEET 4 BAB 9 GLU 442 MET 449 1 N GLU 442 O PHE 372 SHEET 5 BAB 9 TRP 534 GLY 537 1 N HIS 535 O PRO 445 SHEET 6 BAB 9 ARG 612 TRP 616 1 N GLN 614 O TRP 534 SHEET 7 BAB 9 ARG 633 PHE 638 1 N GLY 635 O MET 613 SHEET 8 BAB 9 GLU 659 VAL 662 1 N GLU 659 O VAL 634 SHEET 9 BAB 9 GLY 731 LEU 736 1 SHEET 1 E 2 GLY 397 ARG 399 0 SHEET 2 E 2 TYR 420 GLY 422 -1 N TYR 420 O ARG 399 SHEET 1 F 2 TYR 550 ASP 552 0 SHEET 2 F 2 GLY 561 ILE 563 1 N ILE 563 O THR 551 SHEET 1 G 2 ASN 719 LYS 721 0 SHEET 2 G 2 GLU 777 LYS 779 -1 N TYR 778 O ALA 720 SHEET 1 H 2 GLY 823 ALA 827 0 SHEET 2 H 2 LYS 830 ASN 834 -1 N ASN 834 O GLY 823 SHEET 1 I 4 GLN 853 TYR 855 0 SHEET 2 I 4 GLY 841 SER 845 -1 N TYR 844 O GLN 853 SHEET 3 I 4 GLN 868 VAL 872 -1 N VAL 872 O GLY 841 SHEET 4 I 4 GLU 883 VAL 885 -1 N GLU 883 O VAL 869 SSBOND 1 CYS 56 CYS 66 SSBOND 2 CYS 400 CYS 408 SSBOND 3 CYS 505 CYS 578 SLTBRG OD2 ASP 448 OD1 ASP 539 CISPEP 1 VAL 218 PRO 219 0 -4.35 CISPEP 2 MET 449 PRO 450 0 2.10 CISPEP 3 PHE 752 PRO 753 0 9.10 CRYST1 110.700 99.900 87.700 90.00 90.00 90.00 P 21 21 2 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.009033 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010010 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011403 0.00000 ATOM 1 N ASP 28 -2.148 60.947 49.509 1.00 19.63 N ATOM 2 CA ASP 28 -3.305 60.249 48.940 1.00 17.88 C ATOM 3 C ASP 28 -3.612 60.741 47.516 1.00 13.32 C ATOM 4 O ASP 28 -2.905 61.566 46.970 1.00 11.26 O ATOM 5 CB ASP 28 -4.514 60.473 49.836 1.00 24.03 C ATOM 6 CG ASP 28 -4.914 61.929 50.040 1.00 29.22 C ATOM 7 OD1 ASP 28 -4.301 62.885 49.577 1.00 20.06 O ATOM 8 OD2 ASP 28 -5.971 62.104 50.767 1.00 35.83 O ATOM 9 1H ASP 28 -1.345 60.783 48.936 1.00 19.63 H ATOM 10 2H ASP 28 -2.336 61.928 49.546 1.00 19.63 H ATOM 11 3H ASP 28 -1.974 60.606 50.433 1.00 19.63 H ATOM 12 HA ASP 28 -3.106 59.272 49.013 1.00 17.88 H ATOM 13 1HB ASP 28 -5.292 59.993 49.431 1.00 24.03 H ATOM 14 2HB ASP 28 -4.311 60.080 50.733 1.00 24.03 H ATOM 15 N GLN 29 -4.771 60.291 46.994 1.00 15.08 N ATOM 16 CA GLN 29 -5.168 60.638 45.645 1.00 14.30 C ATOM 17 C GLN 29 -5.443 62.114 45.438 1.00 13.18 C ATOM 18 O GLN 29 -5.043 62.693 44.419 1.00 11.50 O ATOM 19 CB GLN 29 -6.327 59.791 45.104 1.00 14.76 C ATOM 20 CG GLN 29 -6.340 59.867 43.534 1.00 11.18 C ATOM 21 CD GLN 29 -5.139 59.243 42.901 1.00 15.98 C ATOM 22 OE1 GLN 29 -4.825 58.056 43.074 1.00 15.47 O ATOM 23 NE2 GLN 29 -4.394 59.975 42.072 1.00 15.09 N ATOM 24 H GLN 29 -5.366 59.708 47.547 1.00 15.08 H ATOM 25 HA GLN 29 -4.309 60.404 45.189 1.00 14.30 H ATOM 26 1HB GLN 29 -6.208 58.841 45.391 1.00 14.76 H ATOM 27 2HB GLN 29 -7.192 60.142 45.462 1.00 14.76 H ATOM 28 1HG GLN 29 -7.156 59.395 43.200 1.00 11.18 H ATOM 29 2HG GLN 29 -6.378 60.829 43.263 1.00 11.18 H ATOM 30 1HE2 GLN 29 -3.596 59.569 41.626 1.00 15.09 H ATOM 31 2HE2 GLN 29 -4.633 60.930 41.896 1.00 15.09 H ATOM 32 N GLN 30 -6.016 62.778 46.441 1.00 13.19 N ATOM 33 CA GLN 30 -6.301 64.199 46.371 1.00 16.42 C ATOM 34 C GLN 30 -5.009 65.014 46.191 1.00 11.05 C ATOM 35 O GLN 30 -5.006 65.975 45.428 1.00 12.04 O ATOM 36 CB GLN 30 -7.052 64.772 47.575 1.00 18.57 C ATOM 37 CG GLN 30 -8.545 64.639 47.556 1.00 36.42 C ATOM 38 CD GLN 30 -9.276 65.632 48.444 1.00 46.88 C ATOM 39 OE1 GLN 30 -8.920 65.813 49.624 1.00 55.88 O ATOM 40 NE2 GLN 30 -10.300 66.297 47.905 1.00 48.78 N ATOM 41 H GLN 30 -6.259 62.279 47.273 1.00 13.19 H ATOM 42 HA GLN 30 -6.997 64.387 45.678 1.00 16.42 H ATOM 43 1HB GLN 30 -6.716 64.306 48.393 1.00 18.57 H ATOM 44 2HB GLN 30 -6.834 65.746 47.634 1.00 18.57 H ATOM 45 1HG GLN 30 -8.859 64.771 46.616 1.00 36.42 H ATOM 46 2HG GLN 30 -8.781 63.716 47.860 1.00 36.42 H ATOM 47 1HE2 GLN 30 -10.808 66.962 48.453 1.00 48.78 H ATOM 48 2HE2 GLN 30 -10.559 66.130 46.954 1.00 48.78 H ATOM 49 N LEU 31 -4.000 64.599 46.903 1.00 11.12 N ATOM 50 CA LEU 31 -2.709 65.281 46.846 1.00 10.79 C ATOM 51 C LEU 31 -2.112 65.101 45.456 1.00 7.66 C ATOM 52 O LEU 31 -1.622 66.073 44.886 1.00 8.28 O ATOM 53 CB LEU 31 -1.765 64.774 47.899 1.00 12.05 C ATOM 54 CG LEU 31 -0.434 65.435 48.125 1.00 12.23 C ATOM 55 CD1 LEU 31 -0.496 66.938 48.200 1.00 16.47 C ATOM 56 CD2 LEU 31 0.230 64.884 49.390 1.00 16.42 C ATOM 57 H LEU 31 -4.111 63.802 47.497 1.00 11.12 H ATOM 58 HA LEU 31 -2.857 66.235 47.107 1.00 10.79 H ATOM 59 1HB LEU 31 -2.257 64.820 48.768 1.00 12.05 H ATOM 60 2HB LEU 31 -1.574 63.819 47.674 1.00 12.05 H ATOM 61 HG LEU 31 0.248 65.160 47.448 1.00 12.23 H ATOM 62 1HD1 LEU 31 -1.091 67.210 48.957 1.00 16.47 H ATOM 63 2HD1 LEU 31 0.423 67.302 48.351 1.00 16.47 H ATOM 64 3HD1 LEU 31 -0.861 67.300 47.342 1.00 16.47 H ATOM 65 1HD2 LEU 31 -0.358 65.060 50.179 1.00 16.42 H ATOM 66 2HD2 LEU 31 0.369 63.899 49.291 1.00 16.42 H ATOM 67 3HD2 LEU 31 1.113 65.333 49.526 1.00 16.42 H ATOM 68 N VAL 32 -2.111 63.867 44.966 1.00 9.49 N ATOM 69 CA VAL 32 -1.611 63.641 43.599 1.00 10.73 C ATOM 70 C VAL 32 -2.447 64.443 42.602 1.00 8.69 C ATOM 71 O VAL 32 -1.861 65.030 41.674 1.00 8.95 O ATOM 72 CB VAL 32 -1.610 62.138 43.225 1.00 13.40 C ATOM 73 CG1 VAL 32 -1.451 61.948 41.724 1.00 11.86 C ATOM 74 CG2 VAL 32 -0.510 61.402 43.954 1.00 12.85 C ATOM 75 H VAL 32 -2.445 63.102 45.517 1.00 9.49 H ATOM 76 HA VAL 32 -0.669 63.973 43.554 1.00 10.73 H ATOM 77 HB VAL 32 -2.487 61.745 43.501 1.00 13.40 H ATOM 78 1HG1 VAL 32 -2.209 62.395 41.249 1.00 11.86 H ATOM 79 2HG1 VAL 32 -0.586 62.352 41.427 1.00 11.86 H ATOM 80 3HG1 VAL 32 -1.453 60.971 41.510 1.00 11.86 H ATOM 81 1HG2 VAL 32 0.375 61.796 43.706 1.00 12.85 H ATOM 82 2HG2 VAL 32 -0.649 61.488 44.941 1.00 12.85 H ATOM 83 3HG2 VAL 32 -0.529 60.436 43.697 1.00 12.85 H ATOM 84 N ASP 33 -3.744 64.507 42.726 1.00 8.68 N ATOM 85 CA ASP 33 -4.595 65.247 41.801 1.00 10.19 C ATOM 86 C ASP 33 -4.270 66.736 41.813 1.00 9.09 C ATOM 87 O ASP 33 -4.201 67.348 40.746 1.00 8.06 O ATOM 88 CB ASP 33 -6.061 65.016 42.079 1.00 9.79 C ATOM 89 CG ASP 33 -6.528 63.635 41.616 1.00 13.11 C ATOM 90 OD1 ASP 33 -5.716 62.875 41.047 1.00 13.28 O ATOM 91 OD2 ASP 33 -7.735 63.385 41.827 1.00 14.04 O ATOM 92 H ASP 33 -4.175 64.027 43.490 1.00 8.68 H ATOM 93 HA ASP 33 -4.287 64.690 41.030 1.00 10.19 H ATOM 94 1HB ASP 33 -6.218 65.096 43.063 1.00 9.79 H ATOM 95 2HB ASP 33 -6.593 65.713 41.599 1.00 9.79 H ATOM 96 N GLN 34 -4.005 67.284 42.997 1.00 9.12 N ATOM 97 CA GLN 34 -3.557 68.664 43.130 1.00 9.54 C ATOM 98 C GLN 34 -2.215 68.937 42.439 1.00 8.02 C ATOM 99 O GLN 34 -2.107 69.895 41.655 1.00 8.24 O ATOM 100 CB GLN 34 -3.456 69.075 44.599 1.00 11.37 C ATOM 101 CG GLN 34 -4.839 69.368 45.220 1.00 11.95 C ATOM 102 CD GLN 34 -4.624 69.854 46.675 1.00 15.77 C ATOM 103 OE1 GLN 34 -4.260 69.051 47.492 1.00 20.89 O ATOM 104 NE2 GLN 34 -4.745 71.158 46.831 1.00 16.95 N ATOM 105 H GLN 34 -4.117 66.730 43.822 1.00 9.12 H ATOM 106 HA GLN 34 -4.239 69.244 42.684 1.00 9.54 H ATOM 107 1HB GLN 34 -3.023 68.333 45.112 1.00 11.37 H ATOM 108 2HB GLN 34 -2.893 69.898 44.665 1.00 11.37 H ATOM 109 1HG GLN 34 -5.304 70.078 44.691 1.00 11.95 H ATOM 110 2HG GLN 34 -5.393 68.536 45.220 1.00 11.95 H ATOM 111 1HE2 GLN 34 -4.582 71.572 47.727 1.00 16.95 H ATOM 112 2HE2 GLN 34 -5.000 71.733 46.054 1.00 16.95 H ATOM 113 N LEU 35 -1.232 68.090 42.660 1.00 7.54 N ATOM 114 CA LEU 35 0.086 68.226 42.075 1.00 9.29 C ATOM 115 C LEU 35 0.085 68.116 40.544 1.00 10.12 C ATOM 116 O LEU 35 0.806 68.788 39.838 1.00 10.03 O ATOM 117 CB LEU 35 1.050 67.217 42.685 1.00 6.22 C ATOM 118 CG LEU 35 1.348 67.359 44.181 1.00 9.46 C ATOM 119 CD1 LEU 35 2.028 66.131 44.740 1.00 11.05 C ATOM 120 CD2 LEU 35 2.156 68.618 44.425 1.00 13.19 C ATOM 121 H LEU 35 -1.404 67.312 43.264 1.00 7.54 H ATOM 122 HA LEU 35 0.400 69.077 42.496 1.00 9.29 H ATOM 123 1HB LEU 35 0.666 66.305 42.539 1.00 6.22 H ATOM 124 2HB LEU 35 1.918 67.295 42.195 1.00 6.22 H ATOM 125 HG LEU 35 0.377 67.475 44.391 1.00 9.46 H ATOM 126 1HD1 LEU 35 2.893 65.982 44.261 1.00 11.05 H ATOM 127 2HD1 LEU 35 2.205 66.263 45.715 1.00 11.05 H ATOM 128 3HD1 LEU 35 1.436 65.335 44.613 1.00 11.05 H ATOM 129 1HD2 LEU 35 3.017 68.565 43.919 1.00 13.19 H ATOM 130 2HD2 LEU 35 1.636 69.413 44.114 1.00 13.19 H ATOM 131 3HD2 LEU 35 2.348 68.707 45.402 1.00 13.19 H ATOM 132 N SER 36 -0.837 67.267 40.038 1.00 9.67 N ATOM 133 CA SER 36 -0.959 67.008 38.608 1.00 10.03 C ATOM 134 C SER 36 -1.388 68.264 37.855 1.00 10.78 C ATOM 135 O SER 36 -1.228 68.336 36.654 1.00 9.05 O ATOM 136 CB SER 36 -1.940 65.844 38.306 1.00 9.74 C ATOM 137 OG SER 36 -3.298 66.208 38.448 1.00 10.80 O ATOM 138 H SER 36 -1.458 66.799 40.667 1.00 9.67 H ATOM 139 HA SER 36 -0.065 66.745 38.246 1.00 10.03 H ATOM 140 1HB SER 36 -1.790 65.538 37.366 1.00 9.74 H ATOM 141 2HB SER 36 -1.745 65.093 38.936 1.00 9.74 H ATOM 142 HG SER 36 -3.878 65.420 38.241 1.00 10.80 H ATOM 143 N GLN 37 -1.998 69.224 38.560 1.00 8.49 N ATOM 144 CA GLN 37 -2.491 70.453 38.006 1.00 7.80 C ATOM 145 C GLN 37 -1.502 71.588 38.146 1.00 8.26 C ATOM 146 O GLN 37 -1.779 72.696 37.621 1.00 10.23 O ATOM 147 CB GLN 37 -3.877 70.825 38.581 1.00 10.61 C ATOM 148 CG GLN 37 -4.952 69.775 38.233 1.00 13.23 C ATOM 149 CD GLN 37 -6.209 69.963 39.072 1.00 14.88 C ATOM 150 OE1 GLN 37 -7.011 70.845 38.736 1.00 18.56 O ATOM 151 NE2 GLN 37 -6.355 69.159 40.092 1.00 10.73 N ATOM 152 H GLN 37 -2.119 69.075 39.541 1.00 8.49 H ATOM 153 HA GLN 37 -2.714 70.179 37.070 1.00 7.80 H ATOM 154 1HB GLN 37 -3.805 70.895 39.576 1.00 10.61 H ATOM 155 2HB GLN 37 -4.156 71.708 38.204 1.00 10.61 H ATOM 156 1HG GLN 37 -5.191 69.863 37.266 1.00 13.23 H ATOM 157 2HG GLN 37 -4.581 68.862 38.403 1.00 13.23 H ATOM 158 1HE2 GLN 37 -7.163 69.234 40.676 1.00 10.73 H ATOM 159 2HE2 GLN 37 -5.658 68.469 40.289 1.00 10.73 H ATOM 160 N LEU 38 -0.359 71.348 38.708 1.00 8.03 N ATOM 161 CA LEU 38 0.736 72.328 38.698 1.00 7.98 C ATOM 162 C LEU 38 1.247 72.412 37.243 1.00 10.25 C ATOM 163 O LEU 38 1.308 71.460 36.539 1.00 12.38 O ATOM 164 CB LEU 38 1.871 71.905 39.572 1.00 9.48 C ATOM 165 CG LEU 38 1.648 71.924 41.080 1.00 11.40 C ATOM 166 CD1 LEU 38 2.844 71.377 41.807 1.00 12.51 C ATOM 167 CD2 LEU 38 1.347 73.369 41.517 1.00 14.21 C ATOM 168 H LEU 38 -0.218 70.469 39.163 1.00 8.03 H ATOM 169 HA LEU 38 0.398 73.214 39.015 1.00 7.98 H ATOM 170 1HB LEU 38 2.111 70.968 39.317 1.00 9.48 H ATOM 171 2HB LEU 38 2.641 72.512 39.376 1.00 9.48 H ATOM 172 HG LEU 38 0.875 71.367 41.383 1.00 11.40 H ATOM 173 1HD1 LEU 38 3.007 70.433 41.518 1.00 12.51 H ATOM 174 2HD1 LEU 38 3.647 71.934 41.594 1.00 12.51 H ATOM 175 3HD1 LEU 38 2.674 71.400 42.792 1.00 12.51 H ATOM 176 1HD2 LEU 38 0.526 73.695 41.048 1.00 14.21 H ATOM 177 2HD2 LEU 38 1.199 73.394 42.506 1.00 14.21 H ATOM 178 3HD2 LEU 38 2.121 73.957 41.281 1.00 14.21 H ATOM 179 N LYS 39 1.560 73.644 36.846 1.00 10.60 N ATOM 180 CA LYS 39 2.105 73.930 35.543 1.00 10.34 C ATOM 181 C LYS 39 3.628 74.189 35.690 1.00 10.43 C ATOM 182 O LYS 39 4.057 75.048 36.426 1.00 11.23 O ATOM 183 CB LYS 39 1.489 75.107 34.839 1.00 14.85 C ATOM 184 CG LYS 39 -0.030 74.980 34.650 1.00 29.47 C ATOM 185 CD LYS 39 -0.444 75.960 33.561 1.00 43.11 C ATOM 186 CE LYS 39 -1.946 75.848 33.290 1.00 54.91 C ATOM 187 NZ LYS 39 -2.722 76.167 34.544 1.00 63.35 N ATOM 188 H LYS 39 1.410 74.403 37.479 1.00 10.60 H ATOM 189 HA LYS 39 1.982 73.136 34.947 1.00 10.34 H ATOM 190 1HB LYS 39 1.674 75.930 35.377 1.00 14.85 H ATOM 191 2HB LYS 39 1.914 75.195 33.938 1.00 14.85 H ATOM 192 1HG LYS 39 -0.262 74.047 34.375 1.00 29.47 H ATOM 193 2HG LYS 39 -0.499 75.202 35.505 1.00 29.47 H ATOM 194 1HD LYS 39 -0.230 76.891 33.856 1.00 43.11 H ATOM 195 2HD LYS 39 0.059 75.753 32.722 1.00 43.11 H ATOM 196 1HE LYS 39 -2.201 76.493 32.569 1.00 54.91 H ATOM 197 2HE LYS 39 -2.161 74.917 32.995 1.00 54.91 H ATOM 198 1HZ LYS 39 -2.469 75.523 35.266 1.00 63.35 H ATOM 199 2HZ LYS 39 -2.510 77.098 34.840 1.00 63.35 H ATOM 200 3HZ LYS 39 -3.702 76.091 34.358 1.00 63.35 H ATOM 201 N LEU 40 4.363 73.379 34.949 1.00 9.02 N ATOM 202 CA LEU 40 5.810 73.479 34.957 1.00 8.56 C ATOM 203 C LEU 40 6.300 74.436 33.889 1.00 9.59 C ATOM 204 O LEU 40 5.758 74.485 32.756 1.00 11.02 O ATOM 205 CB LEU 40 6.450 72.085 34.740 1.00 10.77 C ATOM 206 CG LEU 40 7.963 72.084 34.491 1.00 8.99 C ATOM 207 CD1 LEU 40 8.704 72.397 35.821 1.00 13.27 C ATOM 208 CD2 LEU 40 8.454 70.779 33.956 1.00 9.16 C ATOM 209 H LEU 40 3.917 72.690 34.377 1.00 9.02 H ATOM 210 HA LEU 40 6.062 73.780 35.877 1.00 8.56 H ATOM 211 1HB LEU 40 6.272 71.534 35.555 1.00 10.77 H ATOM 212 2HB LEU 40 6.007 71.663 33.949 1.00 10.77 H ATOM 213 HG LEU 40 8.173 72.784 33.808 1.00 8.99 H ATOM 214 1HD1 LEU 40 8.421 73.295 36.157 1.00 13.27 H ATOM 215 2HD1 LEU 40 8.477 71.700 36.501 1.00 13.27 H ATOM 216 3HD1 LEU 40 9.691 72.397 35.661 1.00 13.27 H ATOM 217 1HD2 LEU 40 7.999 70.582 33.087 1.00 9.16 H ATOM 218 2HD2 LEU 40 9.442 70.829 33.811 1.00 9.16 H ATOM 219 3HD2 LEU 40 8.250 70.052 34.611 1.00 9.16 H ATOM 220 N ASN 41 7.322 75.194 34.183 1.00 7.82 N ATOM 221 CA ASN 41 8.062 75.998 33.242 1.00 10.29 C ATOM 222 C ASN 41 9.577 75.760 33.549 1.00 11.25 C ATOM 223 O ASN 41 9.994 75.792 34.694 1.00 11.52 O ATOM 224 CB ASN 41 7.792 77.493 33.267 1.00 17.33 C ATOM 225 CG ASN 41 8.622 78.266 32.209 1.00 20.10 C ATOM 226 OD1 ASN 41 9.628 78.948 32.517 1.00 25.25 O ATOM 227 ND2 ASN 41 8.204 78.091 30.979 1.00 20.34 N ATOM 228 H ASN 41 7.615 75.219 35.139 1.00 7.82 H ATOM 229 HA ASN 41 7.870 75.658 32.321 1.00 10.29 H ATOM 230 1HB ASN 41 6.820 77.646 33.087 1.00 17.33 H ATOM 231 2HB ASN 41 8.022 77.845 34.174 1.00 17.33 H ATOM 232 1HD2 ASN 41 8.683 78.533 30.221 1.00 20.34 H ATOM 233 2HD2 ASN 41 7.406 77.515 30.799 1.00 20.34 H ATOM 234 N VAL 42 10.311 75.473 32.490 1.00 9.86 N ATOM 235 CA VAL 42 11.737 75.255 32.572 1.00 10.95 C ATOM 236 C VAL 42 12.458 76.366 31.786 1.00 10.78 C ATOM 237 O VAL 42 12.171 76.601 30.615 1.00 10.82 O ATOM 238 CB VAL 42 12.179 73.921 31.963 1.00 12.37 C ATOM 239 CG1 VAL 42 13.665 73.751 32.113 1.00 15.55 C ATOM 240 CG2 VAL 42 11.410 72.752 32.577 1.00 13.94 C ATOM 241 H VAL 42 9.864 75.404 31.598 1.00 9.86 H ATOM 242 HA VAL 42 11.987 75.286 33.540 1.00 10.95 H ATOM 243 HB VAL 42 11.963 73.947 30.987 1.00 12.37 H ATOM 244 1HG1 VAL 42 14.135 74.498 31.643 1.00 15.55 H ATOM 245 2HG1 VAL 42 13.906 73.764 33.084 1.00 15.55 H ATOM 246 3HG1 VAL 42 13.943 72.878 31.713 1.00 15.55 H ATOM 247 1HG2 VAL 42 11.577 72.724 33.563 1.00 13.94 H ATOM 248 2HG2 VAL 42 10.432 72.871 32.408 1.00 13.94 H ATOM 249 3HG2 VAL 42 11.718 71.896 32.162 1.00 13.94 H ATOM 250 N LYS 43 13.402 76.984 32.495 1.00 10.06 N ATOM 251 CA LYS 43 14.173 78.050 31.911 1.00 11.04 C ATOM 252 C LYS 43 15.670 77.918 32.190 1.00 9.91 C ATOM 253 O LYS 43 16.055 77.819 33.323 1.00 10.86 O ATOM 254 CB LYS 43 13.714 79.406 32.478 1.00 17.87 C ATOM 255 CG LYS 43 14.231 80.590 31.679 1.00 30.68 C ATOM 256 CD LYS 43 14.237 81.876 32.462 1.00 44.45 C ATOM 257 CE LYS 43 12.862 82.449 32.669 1.00 60.43 C ATOM 258 NZ LYS 43 12.635 82.968 34.083 1.00 70.88 N ATOM 259 H LYS 43 13.576 76.705 33.439 1.00 10.06 H ATOM 260 HA LYS 43 14.024 78.048 30.922 1.00 11.04 H ATOM 261 1HB LYS 43 12.714 79.431 32.474 1.00 17.87 H ATOM 262 2HB LYS 43 14.045 79.487 33.418 1.00 17.87 H ATOM 263 1HG LYS 43 15.166 80.392 31.386 1.00 30.68 H ATOM 264 2HG LYS 43 13.648 80.710 30.875 1.00 30.68 H ATOM 265 1HD LYS 43 14.647 81.701 33.357 1.00 44.45 H ATOM 266 2HD LYS 43 14.790 82.547 31.968 1.00 44.45 H ATOM 267 1HE LYS 43 12.733 83.206 32.028 1.00 60.43 H ATOM 268 2HE LYS 43 12.188 81.735 32.481 1.00 60.43 H ATOM 269 1HZ LYS 43 12.752 82.219 34.736 1.00 70.88 H ATOM 270 2HZ LYS 43 13.297 83.691 34.283 1.00 70.88 H ATOM 271 3HZ LYS 43 11.708 83.335 34.159 1.00 70.88 H ATOM 272 N MET 44 16.438 77.914 31.122 1.00 9.75 N ATOM 273 CA MET 44 17.901 77.893 31.227 1.00 10.82 C ATOM 274 C MET 44 18.349 79.256 31.814 1.00 11.13 C ATOM 275 O MET 44 17.863 80.321 31.361 1.00 11.40 O ATOM 276 CB MET 44 18.530 77.637 29.864 1.00 11.14 C ATOM 277 CG MET 44 20.046 77.863 29.771 1.00 12.29 C ATOM 278 SD MET 44 20.926 76.861 30.992 1.00 11.64 S ATOM 279 CE MET 44 20.436 75.194 30.495 1.00 10.83 C ATOM 280 H MET 44 16.014 77.926 30.216 1.00 9.75 H ATOM 281 HA MET 44 18.143 77.242 31.946 1.00 10.82 H ATOM 282 1HB MET 44 18.346 76.686 29.616 1.00 11.14 H ATOM 283 2HB MET 44 18.089 78.245 29.204 1.00 11.14 H ATOM 284 1HG MET 44 20.359 77.612 28.855 1.00 12.29 H ATOM 285 2HG MET 44 20.244 78.829 29.937 1.00 12.29 H ATOM 286 1HE MET 44 19.441 75.108 30.552 1.00 10.83 H ATOM 287 2HE MET 44 20.732 75.026 29.555 1.00 10.83 H ATOM 288 3HE MET 44 20.864 74.526 31.103 1.00 10.83 H ATOM 289 N LEU 45 19.186 79.250 32.805 1.00 10.76 N ATOM 290 CA LEU 45 19.720 80.448 33.449 1.00 13.42 C ATOM 291 C LEU 45 21.167 80.703 33.025 1.00 14.06 C ATOM 292 O LEU 45 21.491 81.821 32.638 1.00 14.41 O ATOM 293 CB LEU 45 19.644 80.399 34.979 1.00 12.36 C ATOM 294 CG LEU 45 18.245 80.364 35.601 1.00 10.43 C ATOM 295 CD1 LEU 45 18.331 80.307 37.119 1.00 15.75 C ATOM 296 CD2 LEU 45 17.400 81.495 35.118 1.00 14.48 C ATOM 297 H LEU 45 19.487 78.362 33.153 1.00 10.76 H ATOM 298 HA LEU 45 19.171 81.229 33.152 1.00 13.42 H ATOM 299 1HB LEU 45 20.129 79.578 35.280 1.00 12.36 H ATOM 300 2HB LEU 45 20.111 81.210 35.331 1.00 12.36 H TER 300 LEU 45 HETATM13310 S SO4 1 21.013 49.760 39.284 1.00 20.20 S HETATM13311 O1 SO4 1 22.255 49.023 39.597 1.00 13.58 O HETATM13312 O2 SO4 1 19.782 48.912 39.517 1.00 20.54 O HETATM13313 O3 SO4 1 20.981 50.319 37.895 1.00 18.00 O HETATM13314 O4 SO4 1 20.855 50.954 40.243 1.00 25.42 O HETATM13315 S SO4 2 14.793 66.894 55.242 0.90 55.60 S HETATM13316 O1 SO4 2 13.468 66.263 55.087 0.90 55.79 O HETATM13317 O2 SO4 2 15.575 66.220 56.370 0.90 60.84 O HETATM13318 O3 SO4 2 15.655 66.803 54.026 0.90 57.94 O HETATM13319 O4 SO4 2 14.671 68.347 55.635 0.90 57.76 O HETATM13320 S SO4 3 29.967 40.315 3.038 0.90 28.36 S HETATM13321 O1 SO4 3 30.192 39.003 3.593 0.90 33.14 O HETATM13322 O2 SO4 3 31.082 41.236 3.370 0.90 33.76 O HETATM13323 O3 SO4 3 29.956 40.143 1.486 0.90 35.37 O HETATM13324 O4 SO4 3 28.662 40.884 3.391 0.90 35.41 O HETATM13325 S SO4 4 23.817 58.490 42.380 0.40 30.55 S HETATM13326 O1 SO4 4 23.492 59.921 42.258 0.40 32.28 O HETATM13327 O2 SO4 4 22.668 57.554 42.372 0.40 22.11 O HETATM13328 O3 SO4 4 24.661 58.125 41.112 0.40 33.62 O HETATM13329 O4 SO4 4 24.657 58.274 43.562 0.40 33.36 O HETATM13330 O HOH 5 9.405 54.906 30.330 1.00 4.92 O HETATM13331 O HOH 6 19.440 44.098 28.049 1.00 6.13 O HETATM13332 O HOH 7 7.019 54.079 31.504 1.00 6.74 O HETATM13333 O HOH 8 26.985 48.662 11.772 1.00 6.83 O HETATM13334 O HOH 9 19.870 38.257 36.682 1.00 6.83 O HETATM13335 O HOH 10 14.531 67.341 31.934 1.00 7.04 O HETATM13336 O HOH 11 9.813 50.001 26.886 1.00 7.07 O HETATM13337 O HOH 12 18.386 75.477 4.367 1.00 7.43 O HETATM13338 O HOH 13 21.730 44.258 26.153 1.00 7.57 O HETATM13339 O HOH 14 28.732 46.408 26.569 1.00 7.75 O HETATM13340 O HOH 15 8.930 57.595 31.282 1.00 7.76 O HETATM13341 O HOH 16 7.711 60.150 32.417 1.00 7.82 O HETATM13342 O HOH 17 18.331 67.977 14.286 1.00 7.91 O HETATM13343 O HOH 18 25.335 64.550 34.125 1.00 8.00 O HETATM13344 O HOH 19 11.399 48.401 28.410 1.00 8.38 O HETATM13345 O HOH 20 10.783 64.398 32.601 1.00 8.39 O HETATM13346 O HOH 21 21.721 53.047 28.221 1.00 8.42 O HETATM13347 O HOH 22 18.669 65.600 37.175 1.00 8.75 O HETATM13348 O HOH 23 20.791 61.501 34.159 1.00 8.75 O HETATM13349 O HOH 24 21.089 59.211 32.315 1.00 8.83 O HETATM13350 O HOH 25 21.800 45.562 21.486 1.00 8.96 O HETATM13351 O HOH 26 22.173 74.729 20.341 1.00 8.99 O HETATM13352 O HOH 27 24.777 52.606 -0.679 1.00 9.05 O HETATM13353 O HOH 28 27.149 62.745 13.313 1.00 9.08 O HETATM13354 O HOH 29 18.747 56.153 30.531 1.00 9.09 O HETATM13355 O HOH 30 16.700 68.335 6.272 1.00 9.19 O HETATM13356 O HOH 31 22.884 70.180 4.040 1.00 9.38 O HETATM13357 O HOH 32 19.954 53.380 -6.268 1.00 9.55 O HETATM13358 O HOH 33 16.687 31.223 35.062 1.00 9.60 O HETATM13359 O HOH 34 25.026 74.760 20.579 1.00 9.70 O HETATM13360 O HOH 35 10.737 36.527 25.558 1.00 9.70 O HETATM13361 O HOH 36 24.566 53.213 -7.852 1.00 9.80 O HETATM13362 O HOH 37 25.118 63.783 31.358 1.00 10.04 O HETATM13363 O HOH 38 20.022 46.478 -0.572 1.00 10.07 O HETATM13364 O HOH 39 17.635 60.754 29.581 1.00 10.29 O HETATM13365 O HOH 40 16.277 49.486 32.985 1.00 10.39 O HETATM13366 O HOH 41 28.986 74.289 31.523 1.00 10.41 O HETATM13367 O HOH 42 17.175 33.641 36.335 1.00 10.45 O HETATM13368 O HOH 43 30.000 61.561 -4.130 1.00 10.46 O HETATM13369 O HOH 44 38.732 39.617 10.715 1.00 10.53 O HETATM13370 O HOH 45 -4.869 72.871 44.467 1.00 10.56 O HETATM13371 O HOH 46 23.757 38.354 9.663 1.00 10.66 O HETATM13372 O HOH 47 27.193 66.847 25.317 1.00 11.05 O HETATM13373 O HOH 48 24.754 65.431 24.260 1.00 11.14 O HETATM13374 O HOH 49 19.578 58.669 30.050 1.00 11.16 O HETATM13375 O HOH 50 24.474 52.399 30.824 1.00 11.25 O HETATM13376 O HOH 51 18.839 60.930 20.984 1.00 11.42 O HETATM13377 O HOH 52 23.332 71.923 1.696 1.00 11.50 O HETATM13378 O HOH 53 13.135 66.212 24.844 1.00 11.59 O HETATM13379 O HOH 54 12.038 68.619 32.053 1.00 11.61 O HETATM13380 O HOH 55 17.651 74.124 8.373 1.00 11.65 O HETATM13381 O HOH 56 24.712 74.349 11.809 1.00 11.75 O HETATM13382 O HOH 57 11.222 78.587 34.945 1.00 11.92 O HETATM13383 O HOH 58 14.630 56.452 -6.342 1.00 11.94 O HETATM13384 O HOH 59 34.938 66.147 6.083 1.00 12.16 O HETATM13385 O HOH 60 27.427 40.413 39.338 1.00 12.23 O HETATM13386 O HOH 61 21.279 59.879 21.368 1.00 12.28 O HETATM13387 O HOH 62 13.504 30.590 18.068 1.00 12.30 O HETATM13388 O HOH 63 30.540 75.511 33.605 1.00 12.35 O HETATM13389 O HOH 64 39.659 71.588 10.663 1.00 12.39 O HETATM13390 O HOH 65 30.560 71.302 15.254 1.00 12.47 O HETATM13391 O HOH 66 31.366 52.504 -6.505 1.00 12.71 O HETATM13392 O HOH 67 15.330 28.087 33.918 1.00 12.86 O HETATM13393 O HOH 68 19.756 70.947 6.471 1.00 12.92 O HETATM13394 O HOH 69 29.205 69.542 21.159 1.00 12.95 O HETATM13395 O HOH 70 26.321 79.757 27.040 1.00 12.99 O HETATM13396 O HOH 71 39.346 47.058 7.608 1.00 13.00 O HETATM13397 O HOH 72 -9.198 61.881 39.981 1.00 13.06 O HETATM13398 O HOH 73 11.979 66.057 -4.771 1.00 13.08 O HETATM13399 O HOH 74 32.140 70.422 10.315 1.00 13.43 O HETATM13400 O HOH 75 30.582 54.578 -7.944 1.00 13.67 O HETATM13401 O HOH 76 13.484 42.194 38.796 1.00 13.69 O HETATM13402 O HOH 77 16.184 54.074 -6.484 1.00 13.75 O HETATM13403 O HOH 78 25.848 39.061 22.456 1.00 13.76 O HETATM13404 O HOH 79 15.680 71.483 20.892 1.00 13.78 O HETATM13405 O HOH 80 21.337 59.747 28.121 1.00 13.86 O HETATM13406 O HOH 81 17.444 62.020 26.959 1.00 13.87 O HETATM13407 O HOH 82 5.400 46.793 16.014 1.00 13.92 O HETATM13408 O HOH 83 24.555 80.587 29.244 1.00 13.97 O HETATM13409 O HOH 84 38.736 50.137 1.454 1.00 14.15 O HETATM13410 O HOH 85 20.854 31.375 11.578 1.00 14.15 O HETATM13411 O HOH 86 29.274 75.588 13.631 1.00 14.16 O HETATM13412 O HOH 87 -0.248 70.799 34.441 1.00 14.17 O HETATM13413 O HOH 88 24.694 58.593 -13.316 1.00 14.18 O HETATM13414 O HOH 89 37.703 58.231 1.610 1.00 14.23 O HETATM13415 O HOH 90 12.983 56.824 -2.202 1.00 14.27 O HETATM13416 O HOH 91 13.196 61.033 25.518 1.00 14.43 O HETATM13417 O HOH 92 39.955 57.859 -0.076 1.00 14.50 O HETATM13418 O HOH 93 17.227 68.073 31.477 1.00 14.54 O HETATM13419 O HOH 94 11.109 54.591 8.862 1.00 14.58 O HETATM13420 O HOH 95 42.334 43.986 19.877 1.00 14.65 O HETATM13421 O HOH 96 26.948 75.978 12.288 1.00 14.72 O HETATM13422 O HOH 97 20.770 37.577 8.755 1.00 15.20 O HETATM13423 O HOH 98 24.755 51.013 23.766 1.00 15.55 O HETATM13424 O HOH 99 24.917 58.885 20.994 1.00 15.69 O HETATM13425 O HOH 100 10.374 68.916 9.015 1.00 15.71 O HETATM13426 O HOH 101 38.456 39.300 7.987 1.00 15.86 O HETATM13427 O HOH 102 35.555 62.019 33.141 1.00 15.89 O HETATM13428 O HOH 103 39.409 35.824 13.455 1.00 15.96 O HETATM13429 O HOH 104 22.657 60.782 30.524 1.00 15.99 O HETATM13430 O HOH 105 14.886 78.650 21.455 1.00 16.11 O HETATM13431 O HOH 106 22.275 65.741 25.670 1.00 16.14 O HETATM13432 O HOH 107 15.240 78.349 28.521 1.00 16.14 O HETATM13433 O HOH 108 31.224 74.703 29.949 1.00 16.21 O HETATM13434 O HOH 109 22.355 87.527 5.514 1.00 16.21 O HETATM13435 O HOH 110 30.446 70.027 12.681 1.00 16.22 O HETATM13436 O HOH 111 24.384 33.525 40.207 1.00 16.24 O HETATM13437 O HOH 112 15.800 46.246 40.288 1.00 16.26 O HETATM13438 O HOH 113 36.871 65.317 2.876 1.00 16.28 O HETATM13439 O HOH 114 17.839 85.925 10.748 1.00 16.32 O HETATM13440 O HOH 115 18.016 84.484 -6.295 1.00 16.40 O HETATM13441 O HOH 116 28.233 54.931 21.061 1.00 16.61 O HETATM13442 O HOH 117 29.556 54.121 41.379 1.00 16.69 O HETATM13443 O HOH 118 5.061 53.993 12.793 1.00 16.70 O HETATM13444 O HOH 119 25.546 41.276 37.133 1.00 16.76 O HETATM13445 O HOH 120 33.849 48.513 26.802 1.00 16.79 O HETATM13446 O HOH 121 46.499 60.713 4.207 1.00 16.82 O HETATM13447 O HOH 122 5.279 56.627 16.986 1.00 16.89 O HETATM13448 O HOH 123 42.158 56.580 6.942 1.00 17.01 O HETATM13449 O HOH 124 36.202 51.248 34.907 1.00 17.15 O HETATM13450 O HOH 125 5.940 62.562 16.623 1.00 17.28 O HETATM13451 O HOH 126 34.233 59.724 33.085 1.00 17.36 O HETATM13452 O HOH 127 18.911 68.007 46.999 1.00 17.37 O HETATM13453 O HOH 128 8.614 41.955 0.808 1.00 17.37 O HETATM13454 O HOH 129 33.692 53.842 -6.097 1.00 17.39 O HETATM13455 O HOH 130 3.495 55.854 29.625 1.00 17.44 O HETATM13456 O HOH 131 5.793 63.914 -3.638 1.00 17.44 O HETATM13457 O HOH 132 40.861 65.987 -3.114 1.00 17.45 O HETATM13458 O HOH 133 38.782 70.147 41.387 1.00 17.49 O HETATM13459 O HOH 134 0.530 51.313 33.919 1.00 17.61 O HETATM13460 O HOH 135 -2.514 64.509 34.366 1.00 17.88 O HETATM13461 O HOH 136 -1.367 60.817 34.030 1.00 17.90 O HETATM13462 O HOH 137 9.543 80.574 44.974 1.00 18.09 O HETATM13463 O HOH 138 17.440 61.261 -16.837 1.00 18.18 O HETATM13464 O HOH 139 -3.374 72.445 42.032 1.00 18.28 O HETATM13465 O HOH 140 35.290 66.026 13.526 1.00 18.32 O HETATM13466 O HOH 141 24.182 74.303 2.890 1.00 18.36 O HETATM13467 O HOH 142 32.840 67.626 14.017 1.00 18.38 O HETATM13468 O HOH 143 7.885 85.725 -4.774 1.00 18.45 O HETATM13469 O HOH 144 5.611 43.381 27.676 1.00 18.48 O HETATM13470 O HOH 145 29.626 61.711 33.664 1.00 18.55 O HETATM13471 O HOH 146 21.953 74.896 8.352 1.00 18.60 O HETATM13472 O HOH 147 43.900 56.760 9.202 1.00 18.64 O HETATM13473 O HOH 148 5.003 77.736 35.602 1.00 18.68 O HETATM13474 O HOH 149 8.346 62.680 50.048 1.00 18.74 O HETATM13475 O HOH 150 28.030 71.429 6.546 1.00 18.92 O HETATM13476 O HOH 151 32.056 69.250 6.247 1.00 18.94 O HETATM13477 O HOH 152 26.138 55.189 25.577 1.00 19.04 O HETATM13478 O HOH 153 7.754 39.949 5.418 1.00 19.14 O HETATM13479 O HOH 154 28.261 52.154 30.743 1.00 19.16 O HETATM13480 O HOH 155 30.227 43.660 -2.621 1.00 19.28 O HETATM13481 O HOH 156 36.072 45.538 34.878 1.00 19.41 O HETATM13482 O HOH 157 27.437 63.133 38.055 1.00 19.47 O HETATM13483 O HOH 158 7.972 54.812 20.857 1.00 19.55 O HETATM13484 O HOH 159 31.193 38.816 -3.580 1.00 19.58 O HETATM13485 O HOH 160 26.169 50.110 30.953 1.00 19.67 O HETATM13486 O HOH 161 35.911 29.491 8.447 1.00 19.82 O HETATM13487 O HOH 162 11.901 71.701 10.043 1.00 19.94 O HETATM13488 O HOH 163 48.075 61.142 6.750 1.00 19.97 O HETATM13489 O HOH 164 21.310 71.044 47.312 1.00 20.09 O HETATM13490 O HOH 165 40.286 37.243 11.249 1.00 20.20 O HETATM13491 O HOH 166 -5.973 77.897 49.497 1.00 20.27 O HETATM13492 O HOH 167 28.237 59.929 31.740 1.00 20.29 O HETATM13493 O HOH 168 14.639 63.689 46.907 1.00 20.33 O HETATM13494 O HOH 169 22.737 38.088 -4.656 1.00 20.38 O HETATM13495 O HOH 170 13.595 36.574 -1.068 1.00 20.40 O HETATM13496 O HOH 171 12.009 66.320 15.348 1.00 20.42 O HETATM13497 O HOH 172 14.421 51.357 32.738 1.00 20.49 O HETATM13498 O HOH 173 27.033 82.671 16.049 1.00 20.51 O HETATM13499 O HOH 174 29.054 63.885 40.406 1.00 20.65 O HETATM13500 O HOH 175 5.937 50.912 42.929 1.00 20.73 O HETATM13501 O HOH 176 5.499 49.861 6.415 1.00 20.74 O HETATM13502 O HOH 177 10.003 55.892 -1.742 1.00 20.74 O HETATM13503 O HOH 178 9.447 78.328 47.735 1.00 20.74 O HETATM13504 O HOH 179 38.590 44.517 27.709 1.00 20.76 O HETATM13505 O HOH 180 42.759 55.546 0.977 1.00 20.89 O HETATM13506 O HOH 181 14.525 23.756 39.510 1.00 20.94 O HETATM13507 O HOH 182 22.661 36.852 7.081 1.00 20.97 O HETATM13508 O HOH 183 13.363 88.886 -8.921 1.00 20.98 O HETATM13509 O HOH 184 15.133 79.758 46.382 1.00 21.09 O HETATM13510 O HOH 185 24.893 41.256 43.404 1.00 21.20 O HETATM13511 O HOH 186 16.580 22.580 45.162 1.00 21.25 O HETATM13512 O HOH 187 29.360 68.586 23.865 1.00 21.46 O HETATM13513 O HOH 188 9.929 66.623 21.205 1.00 21.49 O HETATM13514 O HOH 189 28.339 64.678 27.570 1.00 21.51 O HETATM13515 O HOH 190 8.024 41.130 -1.674 1.00 21.52 O HETATM13516 O HOH 191 27.003 44.623 -1.948 1.00 21.55 O HETATM13517 O HOH 192 8.966 33.575 25.422 1.00 21.56 O HETATM13518 O HOH 193 -8.875 63.500 44.238 1.00 21.64 O HETATM13519 O HOH 194 32.456 29.962 25.281 1.00 21.66 O HETATM13520 O HOH 195 51.085 57.808 13.189 1.00 21.80 O HETATM13521 O HOH 196 23.433 43.208 -0.937 1.00 21.84 O HETATM13522 O HOH 197 11.150 34.897 45.499 1.00 21.90 O HETATM13523 O HOH 198 17.131 64.751 26.651 1.00 21.94 O HETATM13524 O HOH 199 22.779 58.164 26.599 1.00 22.00 O HETATM13525 O HOH 200 9.174 53.740 2.388 1.00 22.04 O HETATM13526 O HOH 201 5.197 58.600 46.769 1.00 22.05 O HETATM13527 O HOH 202 10.017 89.122 -12.528 1.00 22.14 O HETATM13528 O HOH 203 9.382 22.746 43.717 1.00 22.26 O HETATM13529 O HOH 204 24.870 62.017 10.755 1.00 22.28 O HETATM13530 O HOH 205 2.077 65.890 21.630 1.00 22.32 O HETATM13531 O HOH 206 9.542 78.274 -3.861 1.00 22.53 O HETATM13532 O HOH 207 12.237 36.997 1.385 1.00 22.55 O HETATM13533 O HOH 208 29.121 33.667 9.009 1.00 22.63 O HETATM13534 O HOH 209 24.294 84.511 19.691 1.00 22.64 O HETATM13535 O HOH 210 14.592 75.670 -4.013 1.00 22.64 O HETATM13536 O HOH 211 29.664 44.664 39.207 1.00 22.66 O HETATM13537 O HOH 212 2.020 57.460 31.136 1.00 22.72 O HETATM13538 O HOH 213 15.876 37.783 -2.095 1.00 22.74 O HETATM13539 O HOH 214 1.401 63.013 25.019 1.00 22.81 O HETATM13540 O HOH 215 4.381 42.162 20.344 1.00 22.83 O HETATM13541 O HOH 216 19.405 73.844 6.297 1.00 22.88 O HETATM13542 O HOH 217 16.367 80.827 28.724 1.00 22.99 O HETATM13543 O HOH 218 16.385 82.863 -4.576 1.00 23.03 O HETATM13544 O HOH 219 24.030 42.228 2.462 1.00 23.13 O HETATM13545 O HOH 220 34.495 55.600 -8.030 1.00 23.20 O HETATM13546 O HOH 221 25.050 60.065 29.706 1.00 23.24 O HETATM13547 O HOH 222 22.129 32.644 42.271 1.00 23.24 O HETATM13548 O HOH 223 5.969 55.065 44.338 1.00 23.37 O HETATM13549 O HOH 224 4.935 42.007 33.397 1.00 23.39 O HETATM13550 O HOH 225 5.079 34.819 17.079 1.00 23.43 O HETATM13551 O HOH 226 26.474 30.190 37.180 1.00 23.45 O HETATM13552 O HOH 227 13.030 49.501 -2.497 1.00 23.45 O HETATM13553 O HOH 228 12.380 65.207 -11.077 1.00 23.47 O HETATM13554 O HOH 229 38.344 48.162 41.332 1.00 23.54 O HETATM13555 O HOH 230 29.616 30.157 37.658 1.00 23.57 O HETATM13556 O HOH 231 9.140 64.404 11.179 1.00 23.64 O HETATM13557 O HOH 232 -7.824 61.069 36.643 1.00 23.73 O HETATM13558 O HOH 233 19.156 67.322 23.151 1.00 23.76 O HETATM13559 O HOH 234 6.951 76.672 13.272 1.00 23.80 O HETATM13560 O HOH 235 17.983 70.185 34.408 1.00 23.97 O HETATM13561 O HOH 236 5.333 76.760 30.911 1.00 24.00 O HETATM13562 O HOH 237 11.744 89.861 9.860 1.00 24.01 O HETATM13563 O HOH 238 5.873 59.681 22.978 1.00 24.01 O HETATM13564 O HOH 239 8.621 47.942 -3.418 1.00 24.13 O HETATM13565 O HOH 240 28.603 52.450 21.063 1.00 24.17 O HETATM13566 O HOH 241 14.529 82.085 42.183 1.00 24.23 O HETATM13567 O HOH 242 26.070 56.265 22.226 1.00 24.40 O HETATM13568 O HOH 243 21.319 86.382 12.316 1.00 24.41 O HETATM13569 O HOH 244 24.113 73.404 9.129 1.00 24.52 O HETATM13570 O HOH 245 33.275 77.379 13.065 1.00 24.53 O HETATM13571 O HOH 246 19.501 77.336 -2.410 1.00 24.54 O HETATM13572 O HOH 247 33.146 26.905 18.891 1.00 24.68 O HETATM13573 O HOH 248 15.973 61.707 -14.613 1.00 24.80 O HETATM13574 O HOH 249 40.866 52.733 19.287 1.00 24.81 O HETATM13575 O HOH 250 8.724 71.540 -2.439 1.00 24.88 O HETATM13576 O HOH 251 8.143 39.916 2.700 1.00 24.89 O HETATM13577 O HOH 252 5.533 44.385 17.426 1.00 25.09 O HETATM13578 O HOH 253 13.302 82.796 27.337 1.00 25.22 O HETATM13579 O HOH 254 4.307 57.703 26.154 1.00 25.24 O HETATM13580 O HOH 255 36.283 55.135 33.555 1.00 25.36 O HETATM13581 O HOH 256 32.507 82.456 21.496 1.00 25.37 O HETATM13582 O HOH 257 13.893 80.369 44.185 1.00 25.52 O HETATM13583 O HOH 258 33.165 67.228 -8.811 1.00 25.57 O HETATM13584 O HOH 259 22.718 35.127 -6.853 1.00 25.63 O HETATM13585 O HOH 260 12.532 71.459 12.657 1.00 25.68 O HETATM13586 O HOH 261 20.691 42.462 41.412 1.00 25.72 O HETATM13587 O HOH 262 31.580 56.653 26.445 1.00 25.76 O HETATM13588 O HOH 263 -2.891 69.824 50.114 1.00 25.84 O HETATM13589 O HOH 264 43.950 37.964 23.522 1.00 25.98 O HETATM13590 O HOH 265 51.247 69.519 5.739 1.00 26.02 O HETATM13591 O HOH 266 11.532 56.217 45.312 1.00 26.09 O HETATM13592 O HOH 267 9.673 81.983 37.037 1.00 26.11 O HETATM13593 O HOH 268 3.851 52.243 6.085 1.00 26.19 O HETATM13594 O HOH 269 -6.452 58.154 48.385 1.00 26.26 O HETATM13595 O HOH 270 26.752 62.052 29.963 1.00 26.33 O HETATM13596 O HOH 271 13.913 94.237 -7.954 1.00 26.41 O HETATM13597 O HOH 272 3.497 48.080 13.038 1.00 26.45 O HETATM13598 O HOH 273 28.415 33.428 43.870 1.00 26.46 O HETATM13599 O HOH 274 1.874 86.921 4.371 1.00 26.55 O HETATM13600 O HOH 275 31.851 62.036 -7.428 1.00 26.59 O HETATM13601 O HOH 276 9.860 29.792 31.370 1.00 26.62 O HETATM13602 O HOH 277 28.903 62.288 -8.348 1.00 26.63 O HETATM13603 O HOH 278 39.008 51.694 22.113 1.00 26.71 O HETATM13604 O HOH 279 23.872 31.312 38.461 1.00 26.75 O HETATM13605 O HOH 280 -2.228 80.198 49.726 1.00 26.82 O HETATM13606 O HOH 281 9.440 51.885 -2.379 1.00 26.82 O HETATM13607 O HOH 282 6.138 38.113 25.860 1.00 26.91 O HETATM13608 O HOH 283 24.716 43.194 38.913 1.00 27.02 O HETATM13609 O HOH 284 9.465 64.864 14.042 1.00 27.03 O HETATM13610 O HOH 285 41.585 72.272 0.611 1.00 27.05 O HETATM13611 O HOH 286 21.698 63.788 41.201 1.00 27.05 O HETATM13612 O HOH 287 -6.365 56.016 44.077 1.00 27.12 O HETATM13613 O HOH 288 6.800 54.084 18.377 1.00 27.20 O HETATM13614 O HOH 289 5.777 58.384 9.070 1.00 27.37 O HETATM13615 O HOH 290 8.153 60.773 -7.662 1.00 27.38 O HETATM13616 O HOH 291 7.083 76.483 48.464 1.00 27.38 O HETATM13617 O HOH 292 25.318 63.093 26.045 1.00 27.42 O HETATM13618 O HOH 293 19.449 96.763 1.085 1.00 27.50 O HETATM13619 O HOH 294 21.867 75.003 5.658 1.00 27.52 O HETATM13620 O HOH 295 13.709 96.391 -5.060 1.00 27.52 O HETATM13621 O HOH 296 10.585 36.239 -10.641 1.00 27.56 O HETATM13622 O HOH 297 10.564 91.205 -8.251 1.00 27.57 O HETATM13623 O HOH 298 20.794 29.291 45.112 1.00 27.61 O HETATM13624 O HOH 299 36.676 40.148 -6.299 1.00 27.71 O HETATM13625 O HOH 300 20.640 80.886 22.462 1.00 27.73 O HETATM13626 O HOH 301 7.856 60.553 -14.197 1.00 27.80 O HETATM13627 O HOH 302 44.728 74.062 11.881 1.00 27.94 O HETATM13628 O HOH 303 10.256 67.348 -6.585 1.00 27.98 O HETATM13629 O HOH 304 29.243 41.639 6.847 1.00 28.11 O HETATM13630 O HOH 305 33.494 75.943 47.043 1.00 28.18 O HETATM13631 O HOH 306 1.643 57.123 44.319 1.00 28.28 O HETATM13632 O HOH 307 31.397 66.843 23.937 1.00 28.33 O HETATM13633 O HOH 308 1.862 53.959 36.940 1.00 28.44 O HETATM13634 O HOH 309 17.494 37.860 -4.443 1.00 28.45 O HETATM13635 O HOH 310 8.073 30.825 26.267 1.00 28.51 O HETATM13636 O HOH 311 26.777 60.174 -12.647 1.00 28.62 O HETATM13637 O HOH 312 29.396 77.873 44.389 1.00 28.82 O HETATM13638 O HOH 313 44.384 69.691 15.906 1.00 28.91 O HETATM13639 O HOH 314 -0.876 55.737 36.788 1.00 29.05 O HETATM13640 O HOH 315 48.926 50.160 13.259 1.00 29.12 O HETATM13641 O HOH 316 25.456 81.365 37.024 1.00 29.21 O HETATM13642 O HOH 317 5.486 45.203 25.715 1.00 29.22 O HETATM13643 O HOH 318 36.696 47.151 27.330 1.00 29.23 O HETATM13644 O HOH 319 47.276 70.842 42.355 1.00 29.24 O HETATM13645 O HOH 320 10.411 97.289 -0.484 1.00 29.26 O HETATM13646 O HOH 321 23.683 43.044 41.529 1.00 29.36 O HETATM13647 O HOH 322 -1.788 64.058 31.192 1.00 29.37 O HETATM13648 O HOH 323 7.255 50.329 -3.480 1.00 29.42 O HETATM13649 O HOH 324 16.549 72.255 53.659 1.00 29.44 O HETATM13650 O HOH 325 2.600 77.322 43.930 1.00 29.64 O HETATM13651 O HOH 326 6.865 63.758 3.098 1.00 29.92 O HETATM13652 O HOH 327 18.891 68.318 35.464 1.00 30.09 O HETATM13653 O HOH 328 10.394 49.127 -1.753 1.00 30.15 O HETATM13654 O HOH 329 3.447 51.578 24.828 1.00 30.22 O HETATM13655 O HOH 330 40.352 77.689 14.618 1.00 30.23 O HETATM13656 O HOH 331 27.696 43.666 37.903 1.00 30.27 O HETATM13657 O HOH 332 27.097 63.210 -6.041 1.00 30.29 O HETATM13658 O HOH 333 36.008 52.463 -5.288 1.00 30.30 O HETATM13659 O HOH 334 26.584 67.607 44.452 1.00 30.36 O HETATM13660 O HOH 335 6.806 37.599 33.856 1.00 30.43 O HETATM13661 O HOH 336 37.235 53.188 -0.813 1.00 30.47 O HETATM13662 O HOH 337 21.922 27.402 27.062 1.00 30.48 O HETATM13663 O HOH 338 3.828 70.045 8.598 1.00 30.70 O HETATM13664 O HOH 339 23.466 55.887 22.998 1.00 30.73 O HETATM13665 O HOH 340 30.748 81.745 18.032 1.00 30.82 O HETATM13666 O HOH 341 29.298 34.592 -17.466 1.00 30.93 O HETATM13667 O HOH 342 11.469 55.028 -25.702 1.00 30.93 O HETATM13668 O HOH 343 -1.774 80.542 4.249 1.00 30.95 O HETATM13669 O HOH 344 17.092 63.663 -13.054 1.00 31.07 O HETATM13670 O HOH 345 35.960 47.261 32.755 1.00 31.08 O HETATM13671 O HOH 346 52.568 66.852 5.047 1.00 31.08 O HETATM13672 O HOH 347 42.895 63.591 39.979 1.00 31.17 O HETATM13673 O HOH 348 7.526 67.049 -7.502 1.00 31.27 O HETATM13674 O HOH 349 7.141 57.201 45.329 1.00 31.30 O HETATM13675 O HOH 350 23.043 29.505 12.021 1.00 31.34 O HETATM13676 O HOH 351 28.156 39.639 7.414 1.00 31.36 O HETATM13677 O HOH 352 31.459 58.266 -15.196 1.00 31.40 O HETATM13678 O HOH 353 13.414 78.148 15.539 1.00 31.44 O HETATM13679 O HOH 354 37.731 47.857 43.908 1.00 31.45 O HETATM13680 O HOH 355 5.910 58.725 -13.322 1.00 31.49 O HETATM13681 O HOH 356 35.213 75.010 40.284 1.00 31.59 O HETATM13682 O HOH 357 20.854 25.859 37.370 1.00 31.61 O HETATM13683 O HOH 358 0.023 52.882 28.532 1.00 31.61 O HETATM13684 O HOH 359 20.995 61.209 44.886 1.00 31.62 O HETATM13685 O HOH 360 3.206 55.242 43.440 1.00 31.71 O HETATM13686 O HOH 361 -4.477 66.501 35.725 1.00 31.77 O HETATM13687 O HOH 362 25.579 73.422 5.178 1.00 31.78 O HETATM13688 O HOH 363 27.072 77.884 -6.872 1.00 31.99 O HETATM13689 O HOH 364 17.713 71.653 49.471 1.00 32.02 O HETATM13690 O HOH 365 21.676 82.336 -2.481 1.00 32.18 O HETATM13691 O HOH 366 22.816 37.439 4.382 1.00 32.20 O HETATM13692 O HOH 367 22.398 72.489 5.955 1.00 32.32 O HETATM13693 O HOH 368 13.492 79.012 -5.085 1.00 32.35 O HETATM13694 O HOH 369 4.701 56.740 11.991 1.00 32.51 O HETATM13695 O HOH 370 7.930 59.501 -10.050 1.00 32.59 O HETATM13696 O HOH 371 25.156 60.915 -9.207 1.00 32.65 O HETATM13697 O HOH 372 5.478 75.452 9.952 1.00 32.69 O HETATM13698 O HOH 373 26.039 53.485 23.514 1.00 32.74 O HETATM13699 O HOH 374 19.672 80.388 -5.007 1.00 32.78 O HETATM13700 O HOH 375 -1.719 75.592 37.773 1.00 32.80 O HETATM13701 O HOH 376 7.784 31.063 48.470 1.00 32.87 O HETATM13702 O HOH 377 30.583 58.318 -12.300 1.00 32.90 O HETATM13703 O HOH 378 16.176 62.866 -18.971 1.00 32.91 O HETATM13704 O HOH 379 24.709 30.684 10.068 1.00 32.96 O HETATM13705 O HOH 380 40.516 41.357 7.306 1.00 33.01 O HETATM13706 O HOH 381 21.034 67.381 44.698 1.00 33.02 O HETATM13707 O HOH 382 3.280 41.657 17.879 1.00 33.20 O HETATM13708 O HOH 383 5.237 59.562 49.267 1.00 33.28 O HETATM13709 O HOH 384 15.711 96.495 1.761 1.00 33.40 O HETATM13710 O HOH 385 37.260 39.699 4.678 1.00 33.44 O HETATM13711 O HOH 386 7.170 31.728 14.911 1.00 33.47 O HETATM13712 O HOH 387 26.615 32.228 41.769 1.00 33.64 O HETATM13713 O HOH 388 16.596 81.961 40.070 1.00 33.82 O HETATM13714 O HOH 389 12.652 40.878 40.857 1.00 33.87 O HETATM13715 O HOH 390 25.225 63.379 -8.503 1.00 33.87 O HETATM13716 O HOH 391 8.795 31.564 33.809 1.00 33.88 O HETATM13717 O HOH 392 33.944 61.099 -9.556 1.00 34.12 O HETATM13718 O HOH 393 22.452 53.091 -24.298 1.00 34.14 O HETATM13719 O HOH 394 7.719 65.795 17.687 1.00 34.15 O HETATM13720 O HOH 395 35.266 57.348 31.694 1.00 34.38 O HETATM13721 O HOH 396 41.648 64.680 -5.470 1.00 34.44 O HETATM13722 O HOH 397 49.262 52.302 3.605 1.00 34.48 O HETATM13723 O HOH 398 -6.071 80.168 43.278 1.00 34.54 O HETATM13724 O HOH 399 19.591 48.269 -24.555 1.00 34.66 O HETATM13725 O HOH 400 27.002 57.346 24.562 1.00 34.73 O HETATM13726 O HOH 401 37.818 47.358 30.353 1.00 34.79 O HETATM13727 O HOH 402 32.920 74.375 -7.263 1.00 34.90 O HETATM13728 O HOH 403 -5.040 53.856 45.046 1.00 35.06 O HETATM13729 O HOH 404 6.421 53.105 -22.170 1.00 35.08 O HETATM13730 O HOH 405 28.122 42.437 0.518 1.00 35.15 O HETATM13731 O HOH 406 44.090 38.681 29.931 1.00 35.16 O HETATM13732 O HOH 407 5.499 65.618 -5.945 1.00 35.23 O HETATM13733 O HOH 408 33.223 32.034 6.314 1.00 35.26 O HETATM13734 O HOH 409 14.060 63.187 -16.828 1.00 35.32 O HETATM13735 O HOH 410 5.647 88.119 9.467 1.00 35.45 O HETATM13736 O HOH 411 12.754 77.961 53.641 1.00 35.45 O HETATM13737 O HOH 412 38.396 32.525 21.057 1.00 35.55 O HETATM13738 O HOH 413 36.066 27.200 18.532 1.00 35.56 O HETATM13739 O HOH 414 46.915 61.823 0.843 1.00 35.56 O HETATM13740 O HOH 415 30.179 70.868 5.134 1.00 35.58 O HETATM13741 O HOH 416 33.720 63.759 29.947 1.00 35.59 O HETATM13742 O HOH 417 4.920 72.015 -2.956 1.00 35.69 O HETATM13743 O HOH 418 36.755 76.959 21.183 1.00 35.88 O HETATM13744 O HOH 419 -1.778 60.692 28.514 1.00 36.01 O HETATM13745 O HOH 420 3.779 84.050 41.728 1.00 36.01 O HETATM13746 O HOH 421 42.184 45.721 36.000 1.00 36.04 O HETATM13747 O HOH 422 38.115 73.169 8.199 1.00 36.06 O HETATM13748 O HOH 423 47.552 70.200 39.875 1.00 36.07 O HETATM13749 O HOH 424 -2.595 71.718 34.038 1.00 36.11 O HETATM13750 O HOH 425 19.271 95.019 4.262 1.00 36.13 O HETATM13751 O HOH 426 42.270 74.216 4.426 1.00 36.20 O HETATM13752 O HOH 427 27.716 27.459 30.871 1.00 36.23 O HETATM13753 O HOH 428 22.152 27.164 16.186 1.00 36.26 O HETATM13754 O HOH 429 46.581 41.023 10.111 1.00 36.35 O HETATM13755 O HOH 430 32.272 60.889 32.238 1.00 36.36 O HETATM13756 O HOH 431 24.649 83.374 28.243 1.00 36.38 O HETATM13757 O HOH 432 8.981 70.760 20.266 1.00 36.40 O HETATM13758 O HOH 433 11.784 80.067 -7.116 1.00 36.46 O HETATM13759 O HOH 434 -4.094 73.569 36.002 1.00 36.50 O HETATM13760 O HOH 435 34.259 53.110 26.229 1.00 36.55 O HETATM13761 O HOH 436 22.196 47.788 42.226 1.00 36.67 O HETATM13762 O HOH 437 -4.921 69.154 34.613 1.00 36.70 O HETATM13763 O HOH 438 25.332 80.773 -6.151 1.00 36.70 O HETATM13764 O HOH 439 10.107 40.184 41.437 1.00 36.73 O HETATM13765 O HOH 440 26.862 81.946 8.605 1.00 36.80 O HETATM13766 O HOH 441 6.547 50.101 3.724 1.00 37.00 O HETATM13767 O HOH 442 18.604 77.749 -4.797 1.00 37.05 O HETATM13768 O HOH 443 52.720 65.029 1.638 1.00 37.23 O HETATM13769 O HOH 444 8.253 53.338 -0.613 1.00 37.23 O HETATM13770 O HOH 445 41.708 62.327 37.788 1.00 37.32 O HETATM13771 O HOH 446 8.078 79.865 28.314 1.00 37.40 O HETATM13772 O HOH 447 21.028 26.986 21.999 1.00 37.42 O HETATM13773 O HOH 448 39.912 73.384 -4.940 1.00 37.54 O HETATM13774 O HOH 449 28.896 75.372 -5.022 1.00 37.56 O HETATM13775 O HOH 450 33.194 45.976 -2.646 1.00 37.56 O HETATM13776 O HOH 451 14.870 73.258 -11.948 1.00 37.57 O HETATM13777 O HOH 452 16.595 77.828 -3.446 1.00 37.59 O HETATM13778 O HOH 453 3.799 64.005 2.841 1.00 37.70 O HETATM13779 O HOH 454 22.057 54.238 40.342 1.00 37.75 O HETATM13780 O HOH 455 39.220 30.102 19.667 1.00 37.80 O HETATM13781 O HOH 456 30.338 74.411 -7.450 1.00 37.80 O HETATM13782 O HOH 457 21.795 39.288 -1.685 1.00 37.81 O HETATM13783 O HOH 458 19.426 82.979 -3.381 1.00 37.82 O HETATM13784 O HOH 459 14.416 22.378 43.315 1.00 37.86 O HETATM13785 O HOH 460 30.906 26.342 13.229 1.00 37.92 O HETATM13786 O HOH 461 15.644 80.094 -3.931 1.00 37.98 O HETATM13787 O HOH 462 37.566 65.256 -8.867 1.00 38.03 O HETATM13788 O HOH 463 10.617 69.839 -5.166 1.00 38.03 O HETATM13789 O HOH 464 33.565 56.864 -10.510 1.00 38.09 O HETATM13790 O HOH 465 26.215 36.626 -4.394 1.00 38.12 O HETATM13791 O HOH 466 16.382 94.618 -5.524 1.00 38.17 O HETATM13792 O HOH 467 19.522 69.905 48.764 1.00 38.23 O HETATM13793 O HOH 468 11.107 32.424 -6.889 1.00 38.25 O HETATM13794 O HOH 469 30.545 62.197 -10.673 1.00 38.25 O HETATM13795 O HOH 470 33.317 76.749 30.373 1.00 38.26 O HETATM13796 O HOH 471 17.524 76.965 -12.513 1.00 38.35 O HETATM13797 O HOH 472 53.711 53.536 6.682 1.00 38.40 O HETATM13798 O HOH 473 16.798 57.452 45.516 1.00 38.40 O HETATM13799 O HOH 474 19.967 36.190 45.860 1.00 38.47 O HETATM13800 O HOH 475 18.663 81.232 20.295 1.00 38.49 O HETATM13801 O HOH 476 2.209 51.240 36.098 1.00 38.50 O HETATM13802 O HOH 477 30.836 61.520 46.204 1.00 38.60 O HETATM13803 O HOH 478 0.419 64.727 53.729 1.00 38.66 O HETATM13804 O HOH 479 28.342 76.352 9.724 1.00 38.79 O HETATM13805 O HOH 480 4.522 45.320 20.713 1.00 38.81 O HETATM13806 O HOH 481 24.232 59.041 23.600 1.00 38.90 O HETATM13807 O HOH 482 32.448 27.452 24.499 1.00 38.93 O HETATM13808 O HOH 483 27.336 63.869 -11.555 1.00 38.93 O HETATM13809 O HOH 484 19.461 53.508 -27.998 1.00 38.94 O HETATM13810 O HOH 485 8.555 29.263 29.201 1.00 38.96 O HETATM13811 O HOH 486 16.445 91.945 -4.732 1.00 38.97 O HETATM13812 O HOH 487 35.414 54.907 21.131 1.00 39.11 O HETATM13813 O HOH 488 35.729 76.041 23.492 1.00 39.14 O HETATM13814 O HOH 489 28.283 73.528 -3.117 1.00 39.18 O HETATM13815 O HOH 490 33.069 75.666 33.281 1.00 39.29 O HETATM13816 O HOH 491 17.498 50.660 -28.202 1.00 39.30 O HETATM13817 O HOH 492 37.372 28.084 15.611 1.00 39.32 O HETATM13818 O HOH 493 5.809 92.668 7.575 1.00 39.57 O HETATM13819 O HOH 494 3.919 60.355 22.133 1.00 39.63 O HETATM13820 O HOH 495 3.773 76.198 -1.797 1.00 39.76 O HETATM13821 O HOH 496 39.858 59.927 38.207 1.00 39.80 O HETATM13822 O HOH 497 20.429 80.118 41.959 1.00 39.89 O HETATM13823 O HOH 498 38.337 72.961 20.049 1.00 39.91 O HETATM13824 O HOH 499 29.334 37.492 -2.254 1.00 39.91 O HETATM13825 O HOH 500 2.505 59.400 24.989 1.00 39.97 O HETATM13826 O HOH 501 1.570 45.029 29.466 1.00 40.07 O HETATM13827 O HOH 502 13.583 34.839 2.700 1.00 40.15 O HETATM13828 O HOH 503 16.232 43.293 40.230 1.00 40.20 O HETATM13829 O HOH 504 26.981 79.627 44.070 1.00 40.25 O HETATM13830 O HOH 505 33.568 81.918 42.767 1.00 40.29 O HETATM13831 O HOH 506 26.581 82.631 38.963 1.00 40.33 O HETATM13832 O HOH 507 19.607 27.348 16.505 1.00 40.36 O HETATM13833 O HOH 508 16.629 65.825 -16.324 1.00 40.45 O HETATM13834 O HOH 509 4.801 66.464 9.746 1.00 40.47 O HETATM13835 O HOH 510 31.901 57.927 45.354 1.00 40.50 O HETATM13836 O HOH 511 36.530 62.482 30.415 1.00 40.61 O HETATM13837 O HOH 512 34.634 47.524 -6.143 1.00 40.62 O HETATM13838 O HOH 513 13.182 27.941 29.651 1.00 40.62 O HETATM13839 O HOH 514 12.344 26.737 25.010 1.00 40.72 O HETATM13840 O HOH 515 22.479 85.105 -4.121 1.00 40.73 O HETATM13841 O HOH 516 22.001 75.891 47.594 1.00 40.78 O HETATM13842 O HOH 517 37.206 48.883 33.850 1.00 40.85 O HETATM13843 O HOH 518 7.004 35.079 25.325 1.00 40.93 O HETATM13844 O HOH 519 33.618 73.444 30.167 1.00 40.95 O HETATM13845 O HOH 520 49.301 57.141 -1.348 1.00 41.07 O HETATM13846 O HOH 521 13.978 27.632 45.681 1.00 41.15 O HETATM13847 O HOH 522 45.598 35.502 19.756 1.00 41.21 O HETATM13848 O HOH 523 -5.342 60.295 34.627 1.00 41.24 O HETATM13849 O HOH 524 31.359 70.645 2.488 1.00 41.29 O HETATM13850 O HOH 525 9.086 37.286 1.487 1.00 41.31 O HETATM13851 O HOH 526 31.205 75.822 11.661 1.00 41.36 O HETATM13852 O HOH 527 11.207 68.888 -9.668 1.00 41.40 O HETATM13853 O HOH 528 28.244 61.267 -19.323 1.00 41.47 O HETATM13854 O HOH 529 46.850 54.583 -0.124 1.00 41.48 O HETATM13855 O HOH 530 41.306 37.899 42.284 1.00 41.56 O HETATM13856 O HOH 531 36.713 59.608 21.305 1.00 41.60 O HETATM13857 O HOH 532 5.864 63.721 -7.790 1.00 41.66 O HETATM13858 O HOH 533 51.302 55.591 2.171 1.00 41.67 O HETATM13859 O HOH 534 23.185 85.132 27.238 1.00 41.69 O HETATM13860 O HOH 535 18.925 74.471 49.294 1.00 41.79 O HETATM13861 O HOH 536 24.557 26.163 27.092 1.00 41.80 O HETATM13862 O HOH 537 4.133 42.046 30.438 1.00 41.83 O HETATM13863 O HOH 538 8.044 78.251 25.194 1.00 41.87 O HETATM13864 O HOH 539 36.276 27.417 38.383 1.00 41.98 O HETATM13865 O HOH 540 6.877 44.287 -0.688 1.00 41.98 O HETATM13866 O HOH 541 34.789 68.370 -10.774 1.00 42.19 O HETATM13867 O HOH 542 10.272 42.279 -21.186 1.00 42.20 O HETATM13868 O HOH 543 3.498 60.575 16.712 1.00 42.27 O HETATM13869 O HOH 544 33.938 58.471 20.661 1.00 42.30 O HETATM13870 O HOH 545 33.992 75.687 37.973 1.00 42.41 O HETATM13871 O HOH 546 26.873 31.652 8.564 1.00 42.70 O HETATM13872 O HOH 547 6.735 40.978 -9.676 1.00 42.75 O HETATM13873 O HOH 548 38.400 74.151 40.118 1.00 43.05 O HETATM13874 O HOH 549 14.669 48.934 41.441 1.00 43.23 O HETATM13875 O HOH 550 0.899 60.378 27.131 1.00 43.24 O HETATM13876 O HOH 551 34.983 31.481 36.496 1.00 43.27 O HETATM13877 O HOH 552 12.374 27.413 19.489 1.00 43.28 O HETATM13878 O HOH 553 30.534 71.087 7.826 1.00 43.35 O HETATM13879 O HOH 554 27.099 26.126 21.749 1.00 43.53 O HETATM13880 O HOH 555 38.750 42.700 43.039 1.00 43.55 O HETATM13881 O HOH 556 31.265 34.668 6.783 1.00 43.64 O HETATM13882 O HOH 557 25.303 59.880 26.639 1.00 43.76 O HETATM13883 O HOH 558 33.728 30.635 41.757 1.00 43.82 O HETATM13884 O HOH 559 37.983 59.041 30.822 1.00 43.84 O HETATM13885 O HOH 560 23.148 91.088 1.871 1.00 43.87 O HETATM13886 O HOH 561 9.847 26.883 28.852 1.00 43.92 O HETATM13887 O HOH 562 49.374 61.328 14.438 1.00 44.07 O HETATM13888 O HOH 563 15.163 83.878 13.894 1.00 44.10 O HETATM13889 O HOH 564 31.247 33.153 31.746 1.00 44.14 O HETATM13890 O HOH 565 45.629 35.953 36.364 1.00 44.14 O HETATM13891 O HOH 566 2.765 37.407 16.446 1.00 44.14 O HETATM13892 O HOH 567 1.006 79.191 -0.363 1.00 44.23 O HETATM13893 O HOH 568 13.968 89.634 13.018 1.00 44.28 O HETATM13894 O HOH 569 30.278 36.334 1.727 1.00 44.41 O HETATM13895 O HOH 570 16.773 79.760 -7.621 1.00 44.49 O HETATM13896 O HOH 571 18.382 27.540 22.000 1.00 44.52 O HETATM13897 O HOH 572 6.534 79.909 48.037 1.00 44.54 O HETATM13898 O HOH 573 48.717 72.365 0.910 1.00 44.54 O HETATM13899 O HOH 574 39.617 66.063 -7.530 1.00 44.57 O HETATM13900 O HOH 575 0.726 77.214 51.437 1.00 44.62 O HETATM13901 O HOH 576 3.327 46.908 -10.413 1.00 44.64 O HETATM13902 O HOH 577 5.423 78.376 50.357 1.00 44.75 O HETATM13903 O HOH 578 4.846 86.116 -4.032 1.00 44.75 O HETATM13904 O HOH 579 26.508 82.517 30.618 1.00 44.76 O HETATM13905 O HOH 580 34.707 43.697 -14.791 1.00 44.82 O HETATM13906 O HOH 581 16.893 72.504 -18.684 1.00 44.84 O HETATM13907 O HOH 582 51.798 60.610 13.935 1.00 44.85 O HETATM13908 O HOH 583 47.108 61.114 -2.248 1.00 45.02 O HETATM13909 O HOH 584 25.206 43.198 -2.427 1.00 45.12 O HETATM13910 O HOH 585 43.768 66.304 16.121 1.00 45.24 O HETATM13911 O HOH 586 -8.152 61.068 48.400 1.00 45.25 O HETATM13912 O HOH 587 35.354 73.732 32.934 1.00 45.66 O HETATM13913 O HOH 588 14.565 61.636 -27.215 1.00 45.68 O HETATM13914 O HOH 589 8.475 30.021 10.990 1.00 45.69 O HETATM13915 O HOH 590 30.522 65.451 26.497 1.00 45.92 O HETATM13916 O HOH 591 -1.437 52.912 48.227 1.00 46.09 O HETATM13917 O HOH 592 -11.549 73.646 49.277 1.00 46.14 O HETATM13918 O HOH 593 30.628 65.991 -9.587 1.00 46.15 O HETATM13919 O HOH 594 35.636 71.565 -9.943 1.00 46.16 O HETATM13920 O HOH 595 4.569 81.689 12.433 1.00 46.21 O HETATM13921 O HOH 596 34.465 64.301 -8.452 1.00 46.41 O HETATM13922 O HOH 597 30.041 59.104 24.768 1.00 46.65 O HETATM13923 O HOH 598 3.583 56.448 6.563 1.00 46.66 O HETATM13924 O HOH 599 2.305 54.614 26.983 1.00 46.70 O HETATM13925 O HOH 600 55.527 58.546 7.365 1.00 46.71 O HETATM13926 O HOH 601 31.609 40.747 47.613 1.00 46.74 O HETATM13927 O HOH 602 22.732 74.332 -17.614 1.00 46.75 O HETATM13928 O HOH 603 32.060 83.508 30.558 1.00 46.80 O HETATM13929 O HOH 604 12.871 32.807 50.573 1.00 46.82 O HETATM13930 O HOH 605 39.983 45.746 40.233 1.00 46.90 O HETATM13931 O HOH 606 26.452 74.855 7.981 1.00 46.95 O HETATM13932 O HOH 607 6.395 37.466 5.582 1.00 47.06 O HETATM13933 O HOH 608 6.799 49.555 0.151 1.00 47.08 O HETATM13934 O HOH 609 19.818 83.640 20.347 1.00 47.24 O HETATM13935 O HOH 610 32.268 49.429 47.072 1.00 47.24 O HETATM13936 O HOH 611 7.124 44.817 -24.563 1.00 47.38 O HETATM13937 O HOH 612 28.250 37.945 5.350 1.00 47.75 O HETATM13938 O HOH 613 21.910 85.188 19.711 1.00 47.78 O HETATM13939 O HOH 614 12.096 82.650 14.893 1.00 47.85 O HETATM13940 O HOH 615 23.466 63.424 27.279 1.00 47.96 O HETATM13941 O HOH 616 7.706 64.272 52.687 1.00 47.98 O HETATM13942 O HOH 617 2.358 47.212 36.604 1.00 47.98 O HETATM13943 O HOH 618 27.286 34.753 -9.015 1.00 47.99 O HETATM13944 O HOH 619 41.359 49.473 0.181 1.00 47.99 O HETATM13945 O HOH 620 21.192 58.847 -28.064 1.00 48.08 O HETATM13946 O HOH 621 3.356 62.320 -3.787 1.00 48.11 O HETATM13947 O HOH 622 53.259 56.163 14.421 1.00 48.17 O HETATM13948 O HOH 623 6.120 47.568 43.295 1.00 48.22 O HETATM13949 O HOH 624 14.875 65.416 -12.560 1.00 48.23 O HETATM13950 O HOH 625 11.947 43.389 43.428 1.00 48.26 O HETATM13951 O HOH 626 -0.007 56.413 -18.910 1.00 48.30 O HETATM13952 O HOH 627 19.997 56.066 43.996 1.00 48.38 O HETATM13953 O HOH 628 11.246 83.315 29.414 1.00 48.46 O HETATM13954 O HOH 629 39.023 50.966 41.571 1.00 48.46 O HETATM13955 O HOH 630 5.873 42.630 -17.543 1.00 48.48 O HETATM13956 O HOH 631 8.236 38.100 -11.466 1.00 48.48 O HETATM13957 O HOH 632 32.713 30.661 36.880 1.00 48.56 O HETATM13958 O HOH 633 4.256 77.648 10.110 1.00 48.82 O HETATM13959 O HOH 634 29.240 60.746 26.570 1.00 48.82 O HETATM13960 O HOH 635 40.437 74.062 5.675 1.00 48.85 O HETATM13961 O HOH 636 9.087 53.695 -25.093 1.00 49.00 O HETATM13962 O HOH 637 30.534 59.664 30.461 1.00 49.33 O HETATM13963 O HOH 638 1.975 75.252 29.552 1.00 49.33 O HETATM13964 O HOH 639 34.021 73.637 7.507 1.00 49.51 O HETATM13965 O HOH 640 38.159 53.981 -6.761 1.00 49.58 O HETATM13966 O HOH 641 14.647 77.414 -7.053 1.00 49.61 O HETATM13967 O HOH 642 -0.962 78.583 36.504 1.00 49.67 O HETATM13968 O HOH 643 0.689 48.819 -11.746 1.00 49.76 O HETATM13969 O HOH 644 2.869 72.451 54.414 1.00 49.80 O HETATM13970 O HOH 645 37.550 49.425 -0.884 1.00 49.86 O HETATM13971 O HOH 646 38.479 52.355 24.905 1.00 49.91 O HETATM13972 O HOH 647 19.454 65.671 48.267 1.00 50.13 O HETATM13973 O HOH 648 -7.431 70.271 35.322 1.00 50.14 O HETATM13974 O HOH 649 36.956 77.774 13.050 1.00 50.22 O HETATM13975 O HOH 650 6.827 64.643 14.781 1.00 50.37 O HETATM13976 O HOH 651 2.168 62.180 -0.709 1.00 50.49 O HETATM13977 O HOH 652 11.265 59.233 48.832 1.00 50.50 O HETATM13978 O HOH 653 40.831 60.156 -6.215 1.00 50.50 O HETATM13979 O HOH 654 20.221 37.215 -3.273 1.00 50.51 O HETATM13980 O HOH 655 52.116 71.120 3.740 1.00 50.63 O HETATM13981 O HOH 656 -10.705 70.324 48.851 1.00 50.76 O HETATM13982 O HOH 657 1.199 75.632 0.993 1.00 51.11 O HETATM13983 O HOH 658 -0.679 80.605 39.301 1.00 51.13 O HETATM13984 O HOH 659 4.312 60.718 9.731 1.00 51.14 O HETATM13985 O HOH 660 5.460 33.635 32.915 1.00 51.43 O HETATM13986 O HOH 661 6.947 71.544 10.946 1.00 51.44 O HETATM13987 O HOH 662 42.987 62.687 43.556 1.00 51.52 O HETATM13988 O HOH 663 3.820 40.609 26.942 1.00 51.56 O HETATM13989 O HOH 664 36.303 73.901 7.009 1.00 51.63 O HETATM13990 O HOH 665 3.673 44.778 24.109 1.00 51.85 O HETATM13991 O HOH 666 28.417 64.890 43.251 1.00 51.86 O HETATM13992 O HOH 667 34.362 78.631 39.773 1.00 51.86 O HETATM13993 O HOH 668 4.235 56.198 47.285 1.00 52.13 O HETATM13994 O HOH 669 29.271 77.026 -8.917 1.00 52.24 O HETATM13995 O HOH 670 20.834 56.265 -26.986 1.00 52.32 O HETATM13996 O HOH 671 36.800 58.400 -8.077 1.00 52.43 O HETATM13997 O HOH 672 36.959 34.866 45.943 1.00 52.46 O HETATM13998 O HOH 673 5.205 57.518 -16.251 1.00 52.53 O HETATM13999 O HOH 674 9.646 50.152 -26.621 1.00 52.72 O HETATM14000 O HOH 675 30.850 59.758 42.944 1.00 52.75 O HETATM14001 O HOH 676 53.819 63.340 -1.817 1.00 52.79 O HETATM14002 O HOH 677 45.654 44.374 22.971 1.00 53.01 O HETATM14003 O HOH 678 1.744 42.446 10.531 1.00 53.01 O HETATM14004 O HOH 679 17.257 40.311 42.784 1.00 53.04 O HETATM14005 O HOH 680 29.497 27.676 27.515 1.00 53.12 O HETATM14006 O HOH 681 22.483 39.756 1.596 1.00 53.13 O HETATM14007 O HOH 682 5.572 42.076 6.461 1.00 53.16 O HETATM14008 O HOH 683 0.596 50.993 26.822 1.00 53.20 O HETATM14009 O HOH 684 10.323 73.785 19.910 1.00 53.44 O HETATM14010 O HOH 685 32.764 31.182 33.148 1.00 53.56 O HETATM14011 O HOH 686 40.566 55.332 -0.966 1.00 53.70 O HETATM14012 O HOH 687 27.522 57.391 41.526 1.00 53.89 O HETATM14013 O HOH 688 10.527 77.594 55.342 1.00 53.92 O HETATM14014 O HOH 689 -0.595 68.642 27.274 1.00 54.24 O HETATM14015 O HOH 690 26.855 62.033 -15.594 1.00 54.36 O HETATM14016 O HOH 691 -4.865 65.632 50.543 1.00 54.42 O HETATM14017 O HOH 692 11.884 62.621 52.047 1.00 54.69 O HETATM14018 O HOH 693 41.923 39.561 26.395 1.00 55.22 O HETATM14019 O HOH 694 31.423 26.439 22.560 1.00 55.25 O HETATM14020 O HOH 695 14.348 43.927 40.591 1.00 55.62 O HETATM14021 O HOH 696 29.124 25.361 23.094 1.00 55.80 O HETATM14022 O HOH 697 5.535 52.546 0.087 1.00 56.04 O HETATM14023 O HOH 698 6.025 64.662 11.295 1.00 56.06 O HETATM14024 O HOH 699 25.363 38.802 3.673 1.00 56.08 O HETATM14025 O HOH 700 -1.509 72.309 29.399 1.00 56.12 O HETATM14026 O HOH 701 38.712 71.759 33.953 1.00 56.18 O HETATM14027 O HOH 702 0.707 70.714 21.864 1.00 56.33 O HETATM14028 O HOH 703 3.780 57.872 18.817 1.00 56.63 O HETATM14029 O HOH 704 24.304 24.564 23.162 1.00 56.68 O HETATM14030 O HOH 705 30.983 65.478 45.337 1.00 56.71 O HETATM14031 O HOH 706 11.923 71.274 -8.228 1.00 56.98 O HETATM14032 O HOH 707 7.693 32.094 22.952 1.00 56.99 O HETATM14033 O HOH 708 40.962 52.265 39.850 1.00 57.80 O HETATM14034 O HOH 709 3.978 53.645 15.484 1.00 58.06 O HETATM14035 O HOH 710 29.932 30.931 45.019 1.00 58.34 O HETATM14036 O HOH 711 16.651 25.678 26.277 1.00 58.36 O HETATM14037 O HOH 712 3.306 61.869 19.415 1.00 58.63 O HETATM14038 O HOH 713 48.195 74.412 13.928 1.00 59.32 O HETATM14039 O HOH 714 20.879 34.944 2.708 1.00 59.65 O HETATM14040 O HOH 715 40.601 62.635 -8.890 1.00 59.65 O HETATM14041 O HOH 716 39.646 35.353 45.992 1.00 59.90 O HETATM14042 O HOH 717 39.996 69.630 18.637 1.00 60.70 O HETATM14043 O HOH 718 9.972 77.944 15.335 1.00 60.80 O HETATM14044 O HOH 719 8.694 31.202 7.461 1.00 61.01 O HETATM14045 O HOH 720 38.789 52.689 34.993 1.00 61.03 O HETATM14046 O HOH 721 32.746 57.719 30.216 1.00 61.04 O HETATM14047 O HOH 722 3.001 57.451 14.331 1.00 61.26 O HETATM14048 O HOH 723 2.089 52.385 12.904 1.00 61.44 O HETATM14049 O HOH 724 41.982 68.154 18.174 1.00 61.73 O HETATM14050 O HOH 725 38.920 52.581 43.877 1.00 61.77 O HETATM14051 O HOH 726 20.506 26.018 29.200 1.00 61.91 O HETATM14052 O HOH 727 35.435 29.340 39.974 1.00 62.22 O HETATM14053 O HOH 728 43.936 68.041 -5.038 1.00 62.62 O HETATM14054 O HOH 729 -1.309 71.334 3.033 1.00 62.78 O HETATM14055 O HOH 730 36.916 70.793 21.345 1.00 62.94 O HETATM14056 O HOH 731 4.773 50.173 -2.463 1.00 62.95 O HETATM14057 O HOH 732 9.073 90.536 14.389 1.00 63.96 O HETATM14058 O HOH 733 46.176 57.193 17.861 1.00 64.10 O HETATM14059 O HOH 734 35.585 50.378 27.885 1.00 64.15 O HETATM14060 O HOH 735 7.405 80.642 50.787 1.00 64.31 O HETATM14061 O HOH 736 0.617 52.530 49.541 1.00 64.51 O HETATM14062 O HOH 737 2.935 43.289 14.647 1.00 64.52 O HETATM14063 O HOH 738 55.733 62.053 9.322 1.00 64.61 O HETATM14064 O HOH 739 13.610 33.966 -1.267 1.00 64.77 O HETATM14065 O HOH 740 31.774 73.013 9.115 1.00 65.29 O HETATM14066 O HOH 741 -9.134 76.898 50.422 1.00 65.30 O HETATM14067 O HOH 742 3.962 58.335 -8.732 1.00 66.00 O HETATM14068 O HOH 743 9.206 38.455 -14.698 1.00 66.18 O HETATM14069 O HOH 744 25.344 62.931 41.316 1.00 66.25 O HETATM14070 O HOH 745 13.708 51.366 42.610 1.00 66.32 O HETATM14071 O HOH 746 4.509 65.694 -10.264 1.00 67.28 O HETATM14072 O HOH 747 21.970 87.413 -2.737 1.00 67.29 O HETATM14073 O HOH 748 28.125 78.158 7.506 1.00 67.66 O HETATM14074 O HOH 749 5.837 47.031 1.126 1.00 67.82 O HETATM14075 O HOH 750 40.571 71.698 17.499 1.00 67.85 O HETATM14076 O HOH 751 21.853 73.487 48.788 1.00 68.34 O HETATM14077 O HOH 752 31.828 46.307 49.713 1.00 70.18 O HETATM14078 O HOH 753 19.666 51.357 -28.646 1.00 70.49 O HETATM14079 O HOH 754 18.679 33.572 -10.064 1.00 70.55 O HETATM14080 O HOH 755 2.250 52.572 39.938 1.00 71.69 O HETATM14081 O HOH 756 16.540 79.481 16.809 1.00 71.96 O HETATM14082 O HOH 757 4.010 78.527 33.168 1.00 73.32 O HETATM14083 O HOH 758 -0.328 79.747 10.058 1.00 74.56 O HETATM14084 O HOH 759 9.578 56.262 -27.561 1.00 74.99 O HETATM14085 O HOH 760 34.087 58.689 23.537 1.00 75.04 O HETATM14086 O HOH 761 -4.484 79.538 51.073 1.00 75.58 O HETATM14087 O HOH 762 12.984 96.304 2.987 1.00 75.67 O HETATM14088 O HOH 763 36.880 49.727 -3.264 1.00 76.05 O HETATM14089 O HOH 764 51.086 50.528 15.976 1.00 76.31 O HETATM14090 O HOH 765 -3.061 80.987 1.999 1.00 81.50 O HETATM14091 O HOH 766 37.813 50.694 30.850 1.00 82.02 O HETATM14092 O HOH 767 6.324 32.526 8.522 1.00 82.52 O HETATM14093 O HOH 768 38.237 71.580 -9.418 1.00 90.99 O HETATM14094 O HOH 769 37.829 75.558 32.406 1.00 91.58 O HETATM14095 O HOH 770 4.549 87.844 15.108 1.00 91.76 O HETATM14096 O HOH 771 42.130 51.100 22.132 1.00 96.38 O HETATM14097 O HOH 772 0.373 69.454 55.753 1.00 97.24 O HETATM14098 O HOH 773 41.360 32.884 22.549 1.00 98.97 O HETATM14099 O HOH 774 40.440 76.975 20.517 1.00100.21 O HETATM14100 O HOH 775 41.970 78.312 13.093 1.00100.22 O CONECT 444 443 568 CONECT 568 444 567 CONECT 5773 5772 5883 CONECT 5883 5773 5882 CONECT 6526 6524 7935 CONECT 7407 7406 8524 CONECT 7935 7934 6526 CONECT 8524 7407 8523 CONECT1331013311133121331313314 CONECT1331113310 CONECT1331213310 CONECT1331313310 CONECT1331413310 CONECT1331513316133171331813319 CONECT1331613315 CONECT1331713315 CONECT1331813315 CONECT1331913315 CONECT1332013321133221332313324 CONECT1332113320 CONECT1332213320 CONECT1332313320 CONECT1332413320 CONECT1332513326133271332813329 CONECT1332613325 CONECT1332713325 CONECT1332813325 CONECT1332913325 MASTER 240 0 4 33 38 0 0614099 1 26 66 END