USER MOD reduce.3.24.130724 H: found=0, std=0, add=1615, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 03-MAR-06 2G8T TITLE INDOLE-AMIDINE COMPLEXES WITH BOVINE TRYPSIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATIONIC TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BETA-TRYPSIN; COMPND 5 EC: 3.4.21.4 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: CATTLE; SOURCE 4 ORGANISM_TAXID: 9913; SOURCE 5 ORGAN: PANCREAS KEYWDS TRYPSIN AMIDINE INDOLE INHIBITION, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR A.D.KLINE,S.L.BRIGGS,S.SUBRAMANIAM REVDAT 2 24-FEB-09 2G8T 1 VERSN REVDAT 1 05-SEP-06 2G8T 0 JRNL AUTH A.D.KLINE,S.L.BRIGGS,S.SUBRAMANIAM JRNL TITL LIGAND EPITOPING BY PROTON NMR CHEMICAL SHIFT JRNL TITL 2 DIFFERENCES JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.41 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNX 2002 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN,ACCELRYS REMARK 3 : SOFTWARE INC.(BADGER,BERARD,KUMAR,SZALMA, REMARK 3 : YIP,DZAKULA) REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.41 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.25 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 2611570.430 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 36505 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.191 REMARK 3 R VALUE (WORKING SET) : 0.190 REMARK 3 FREE R VALUE : 0.200 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3644 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.003 REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 36557 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) : 1.41 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.50 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 5360 REMARK 3 BIN R VALUE (WORKING SET) : 0.2120 REMARK 3 BIN FREE R VALUE : 0.2260 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.70 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 576 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.009 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1632 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 298 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 13.90 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.50 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.03000 REMARK 3 B22 (A**2) : -0.03000 REMARK 3 B33 (A**2) : 0.06000 REMARK 3 B12 (A**2) : -0.28000 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) : 0.15 REMARK 3 ESD FROM SIGMAA (A) : 0.06 REMARK 3 LOW RESOLUTION CUTOFF (A) : 50.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.16 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.09 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.30 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) : 0.900 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.380 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.000 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.560 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.38 REMARK 3 BSOL : 50.07 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.P REMARK 3 PARAMETER FILE 2 : NULL REMARK 3 PARAMETER FILE 3 : WATER_REP.PAR REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : INH.PAR REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : INH.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : ION.TOP REMARK 3 TOPOLOGY FILE 5 : INH.TOP REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2G8T COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAR-06. REMARK 100 THE RCSB ID CODE IS RCSB036832. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 17-DEC-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 17-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1 REMARK 200 MONOCHROMATOR : SI REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 36505 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.410 REMARK 200 RESOLUTION RANGE LOW (A) : 43.250 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 4.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.41 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.50 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.98 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: TRYPSIN, FINAL CONCENTRATION OF 0.6 REMARK 280 MM, WAS DISSOLVED IN 20 MM HEPES PH 7.0, 10 MM CALCIUM REMARK 280 CHLORIDE, 3% DMSO, AND 3 MM OF LIGAND OF INTEREST (COMPOUNDS REMARK 280 3, 6, AND 9). THE WELL SOLUTION CONSISTED OF 100 MM CACODYLATE REMARK 280 PH 6.5, 200 MM AMMONIUM SULFATE, 50% PEG (17% TO 28%). THE REMARK 280 LIGANDS WERE CO CRYSTALLIZED WITH PROTEIN USING VAPOR REMARK 280 DIFFUSION AND HANGING DROP METHOD. THE DROPS WERE 1:1 REMARK 280 (PROTEIN:WELL SOLUTION) AND THE PLATES WERE STORED AT 20 REMARK 280 DEGREES CENTIGRADE. THE CRYSTALS WERE GENERALLY PRESENT WITHIN REMARK 280 TWO DAYS. THE CRYO-PROTECTANT CONSISTED OF ADDING 75 L OF AN REMARK 280 ADJUSTED WELL SOLUTION, ADJUSTED WITH PEG 8000 TO 0.5% HIGHER, REMARK 280 AND 25 L OF GLYCEROL. DROP 1:1, VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+2/3 REMARK 290 6555 -X,-X+Y,-Z+1/3 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 35.93567 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 71.87133 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 71.87133 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 35.93567 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS 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 648 O HOH A 648 6555 1.40 REMARK 500 O HOH A 687 O HOH A 687 4465 1.54 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 59 -82.84 -129.84 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 402 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 58 OE1 REMARK 620 2 ASN A 60 O 93.7 REMARK 620 3 VAL A 63 O 167.4 77.6 REMARK 620 4 GLU A 68 OE2 106.4 154.4 84.6 REMARK 620 5 HOH A 411 O 87.4 88.7 101.3 76.7 REMARK 620 6 HOH A 406 O 78.7 106.4 94.9 93.3 160.0 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 402 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 403 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MI2 A 401 DBREF 2G8T A 7 229 UNP P00760 TRY1_BOVIN 21 243 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET CA A 402 1 HET SO4 A 403 5 HET MI2 A 401 19 HETNAM CA CALCIUM ION HETNAM SO4 SULFATE ION HETNAM MI2 2-(2-METHYLPHENYL)-1H-INDOLE-5-CARBOXIMIDAMIDE FORMUL 2 CA CA 2+ FORMUL 3 SO4 O4 S 2- FORMUL 4 MI2 C16 H15 N3 FORMUL 5 HOH *298(H2 O) HELIX 1 1 ALA A 44 TYR A 48 5 5 HELIX 2 2 SER A 150 TYR A 158 1 9 HELIX 3 3 TYR A 218 SER A 228 1 11 SHEET 1 A 7 TYR A 11 THR A 12 0 SHEET 2 A 7 LYS A 142 PRO A 147 -1 O CYS A 143 N TYR A 11 SHEET 3 A 7 GLN A 121 GLY A 126 -1 N ILE A 124 O LEU A 144 SHEET 4 A 7 PRO A 186 CYS A 189 -1 O VAL A 188 N LEU A 123 SHEET 5 A 7 LYS A 192 TRP A 199 -1 O LYS A 192 N CYS A 189 SHEET 6 A 7 GLY A 210 LYS A 214 -1 O VAL A 211 N TRP A 199 SHEET 7 A 7 MET A 166 ALA A 169 -1 N PHE A 167 O TYR A 212 SHEET 1 B 7 GLN A 21 ASN A 25 0 SHEET 2 B 7 HIS A 29 ASN A 37 -1 O CYS A 31 N LEU A 24 SHEET 3 B 7 TRP A 40 SER A 43 -1 O VAL A 42 N SER A 34 SHEET 4 B 7 MET A 92 LEU A 96 -1 O ILE A 94 N VAL A 41 SHEET 5 B 7 GLN A 69 VAL A 78 -1 N ILE A 77 O LEU A 93 SHEET 6 B 7 GLN A 53 LEU A 56 -1 N VAL A 54 O ILE A 71 SHEET 7 B 7 GLN A 21 ASN A 25 -1 N ASN A 25 O GLN A 53 SSBOND *** CYS A 13 CYS A 143 1555 1555 2.03 SSBOND *** CYS A 31 CYS A 47 1555 1555 2.03 SSBOND *** CYS A 115 CYS A 216 1555 1555 2.03 SSBOND *** CYS A 122 CYS A 189 1555 1555 2.03 SSBOND *** CYS A 154 CYS A 168 1555 1555 2.03 SSBOND *** CYS A 179 CYS A 203 1555 1555 2.03 LINK OE1 GLU A 58 CA CA A 402 1555 1555 2.41 LINK O ASN A 60 CA CA A 402 1555 1555 2.48 LINK O VAL A 63 CA CA A 402 1555 1555 2.43 LINK OE2 GLU A 68 CA CA A 402 1555 1555 2.48 LINK CA CA A 402 O HOH A 411 1555 1555 2.62 LINK CA CA A 402 O HOH A 406 1555 1555 2.59 SITE *** AC1 6 GLU A 58 ASN A 60 VAL A 63 GLU A 68 SITE *** AC1 6 HOH A 406 HOH A 411 SITE *** AC2 7 HIS A 46 GLN A 180 GLY A 181 SER A 183 SITE *** AC2 7 MI2 A 401 HOH A 670 HOH A 685 SITE *** AC3 15 HIS A 46 LEU A 87 ASP A 177 SER A 178 SITE *** AC3 15 GLN A 180 SER A 183 SER A 198 TRP A 199 SITE *** AC3 15 GLY A 200 GLY A 202 CYS A 203 GLY A 210 SITE *** AC3 15 SO4 A 403 HOH A 423 HOH A 581 CRYST1 54.525 54.525 107.807 90.00 90.00 120.00 P 31 2 1 6 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018340 0.010589 0.000000 0.00000 SCALE2 0.000000 0.021177 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009276 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 LYS NZ :NH3+ -108:sc= 0.867 (180deg=0.145) USER MOD Set 1.2: A 229 ASN : amide:sc= 2.25 K(o=3.1,f=-3.5!) USER MOD Set 2.1: A 110 SER OG : rot -56:sc= -2.46! USER MOD Set 2.2: A 192 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.13) USER MOD Set 3.1: A 46 HIS : no HE2:sc= -0.304 K(o=1.3,f=-6.8!) USER MOD Set 3.2: A 183 SER OG : rot 143:sc= 1.6 USER MOD Set 4.1: A 178 SER OG : rot 19:sc= 2.26 USER MOD Set 4.2: A 212 TYR OH : rot 43:sc= 1.82 USER MOD Set 4.3: A 401 MI2 N18 :NH3+ -175:sc= 2.45 (180deg=1.37) USER MOD Set 5.1: A 88 ASN : amide:sc= 1.73 K(o=6,f=-0.36) USER MOD Set 5.2: A 163 THR OG1 : rot 180:sc= 1.14 USER MOD Set 5.3: A 165 ASN : amide:sc= 1.79 K(o=6,f=3) USER MOD Set 5.4: A 166 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.5: A 217 ASN : amide:sc= 1.35 K(o=6,f=3.6) USER MOD Set 6.1: A 150 SER OG : rot 126:sc= 0.129 USER MOD Set 6.2: A 152 SER OG : rot -80:sc= 0.541 USER MOD Set 6.3: A 153 SER OG : rot -39:sc= 0.965 USER MOD Set 7.1: A 12 THR OG1 : rot 156:sc= 1.61 USER MOD Set 7.2: A 142 LYS NZ :NH3+ 174:sc= 0.861 (180deg=0) USER MOD Set 8.1: A 132 SER OG : rot 64:sc=0.000389 USER MOD Set 8.2: A 205 GLN : amide:sc= -0.877 K(o=-0.88,f=0.59) USER MOD Set 9.1: A 21 GLN : amide:sc= -1.15 K(o=-1.2,f=2.8) USER MOD Set 9.2: A 125 SER OG : rot -93:sc= -0.0348 USER MOD Set10.1: A 117 SER OG : rot -98:sc= 0.0282 USER MOD Set10.2: A 120 THR OG1 : rot 89:sc= 1.71 USER MOD Set11.1: A 89 ASN : amide:sc= 1.44 K(o=-0.87,f=1.5) USER MOD Set11.2: A 218 TYR OH : rot -139:sc= -2.32 USER MOD Set12.1: A 26 SER OG : rot 68:sc= 0.641 USER MOD Set12.2: A 28 TYR OH : rot -150:sc= 1.36 USER MOD Set12.3: A 49 LYS NZ :NH3+ 169:sc= 1.93 (180deg=1.03) USER MOD Set13.1: A 39 GLN : amide:sc= 0.146 K(o=0.32,f=-0.54) USER MOD Set13.2: A 95 LYS NZ :NH3+ 140:sc= 0.17 (180deg=-0.894) USER MOD Set14.1: A 23 SER OG : rot 81:sc= 2.38 USER MOD Set14.2: A 29 HIS : no HD1:sc= 1.37 K(o=3.7,f=-5.9!) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 2.84 X(o=2.8,f=2.6) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -15:sc= 2.07 USER MOD Single : A 25 ASN : amide:sc= 2.46 K(o=2.5,f=-3.3!) USER MOD Single : A 34 SER OG : rot 93:sc= -1.4! USER MOD Single : A 37 ASN : amide:sc= 0.254 K(o=0.25,f=-8.8!) USER MOD Single : A 38 SER OG : rot -83:sc= 1.05 USER MOD Single : A 43 SER OG : rot 95:sc= 0.805 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 93:sc= 0.00336 USER MOD Single : A 53 GLN : amide:sc= 1.3 K(o=1.3,f=-5.1!) USER MOD Single : A 60 ASN : amide:sc= 0.174 K(o=0.17,f=-7.5!) USER MOD Single : A 62 ASN : amide:sc= 1.49 K(o=1.5,f=-0.62) USER MOD Single : A 67 ASN : amide:sc= -1.36! C(o=-1.4!,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 3.01 K(o=3,f=-4.2!) USER MOD Single : A 72 SER OG : rot 49:sc= 0.989 USER MOD Single : A 74 SER OG : rot -51:sc= 0.779 USER MOD Single : A 76 SER OG : rot 116:sc= 1.34 USER MOD Single : A 79 HIS : no HD1:sc= 0.554 K(o=0.55,f=-7.6!) USER MOD Single : A 81 SER OG : rot -140:sc= 0.0669 USER MOD Single : A 82 TYR OH : rot -3:sc= 1.13 USER MOD Single : A 83 ASN : amide:sc= -0.836 K(o=-0.84,f=-8.3!) USER MOD Single : A 84 SER OG : rot 94:sc= 2.27 USER MOD Single : A 85 ASN : amide:sc= -0.687 K(o=-0.69,f=1.8) USER MOD Single : A 86 THR OG1 : rot -152:sc= 1.14 USER MOD Single : A 92 MET CE :methyl 164:sc= -1.61 (180deg=-3.23!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -103:sc= 2.39 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.702 K(o=0.7,f=-6.5!) USER MOD Single : A 104 SER OG : rot -132:sc= 0.971 USER MOD Single : A 108 SER OG : rot 78:sc= 1.07 USER MOD Single : A 113 THR OG1 : rot -79:sc= 0.522 USER MOD Single : A 114 SER OG : rot 92:sc= 0.5 USER MOD Single : A 121 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.9) USER MOD Single : A 129 ASN : amide:sc= 0.795 K(o=0.8,f=-5.9!) USER MOD Single : A 130 THR OG1 : rot -50:sc= 1.89 USER MOD Single : A 131 LYS NZ :NH3+ 158:sc= -0.174 (180deg=-0.883) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot -81:sc= 0.864 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 154:sc= 0.277 (180deg=0.214) USER MOD Single : A 156 SER OG : rot 72:sc= 1.73 USER MOD Single : A 158 TYR OH : rot 25:sc= 1.28 USER MOD Single : A 161 GLN : amide:sc= 0.359 X(o=0.36,f=0.6) USER MOD Single : A 164 SER OG : rot 109:sc= 0.616 USER MOD Single : A 171 TYR OH : rot -11:sc= 1.88 USER MOD Single : A 176 LYS NZ :NH3+ 163:sc= 0.307 (180deg=0.221) USER MOD Single : A 180 GLN : amide:sc= 1.77 X(o=1.8,f=1.8) USER MOD Single : A 190 SER OG : rot 140:sc= 1.04 USER MOD Single : A 194 GLN : amide:sc= 1.75 K(o=1.7,f=-0.87) USER MOD Single : A 198 SER OG : rot 56:sc= 1.89 USER MOD Single : A 201 SER OG : rot -107:sc= 1.3 USER MOD Single : A 206 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.76) USER MOD Single : A 208 LYS NZ :NH3+ -130:sc= 0.766 (180deg=-0.407) USER MOD Single : A 213 THR OG1 : rot -170:sc= 0.843 USER MOD Single : A 214 LYS NZ :NH3+ 162:sc= 0.39 (180deg=0.277) USER MOD Single : A 220 SER OG : rot 70:sc= 0.276 USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 GLN : amide:sc= -0.86 K(o=-0.86,f=0) USER MOD Single : A 225 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 228 SER OG : rot 86:sc= 0.903 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 7 -12.570 52.416 6.229 1.00 11.53 N ATOM 2 CA ILE A 7 -13.588 51.809 5.326 1.00 12.57 C ATOM 3 C ILE A 7 -14.217 52.896 4.459 1.00 13.87 C ATOM 4 O ILE A 7 -14.764 53.870 4.978 1.00 14.11 O ATOM 5 CB ILE A 7 -14.714 51.121 6.131 1.00 12.77 C ATOM 6 CG1 ILE A 7 -14.134 50.058 7.069 1.00 12.91 C ATOM 7 CG2 ILE A 7 -15.707 50.477 5.176 1.00 14.31 C ATOM 8 CD1 ILE A 7 -13.672 48.792 6.365 1.00 12.11 C ATOM 0 HA ILE A 7 -13.139 51.147 4.778 1.00 12.57 H new ATOM 0 HB ILE A 7 -15.167 51.792 6.666 1.00 12.77 H new ATOM 0 HG12 ILE A 7 -13.384 50.440 7.551 1.00 12.91 H new ATOM 0 HG13 ILE A 7 -14.805 49.823 7.729 1.00 12.91 H new ATOM 0 HG21 ILE A 7 -16.412 50.046 5.684 1.00 14.31 H new ATOM 0 HG22 ILE A 7 -16.092 51.157 4.602 1.00 14.31 H new ATOM 0 HG23 ILE A 7 -15.251 49.816 4.632 1.00 14.31 H new ATOM 0 HD11 ILE A 7 -13.319 48.169 7.019 1.00 12.11 H new ATOM 0 HD12 ILE A 7 -14.422 48.386 5.904 1.00 12.11 H new ATOM 0 HD13 ILE A 7 -12.980 49.013 5.723 1.00 12.11 H new ATOM 9 N VAL A 8 -14.131 52.729 3.144 1.00 13.91 N ATOM 10 CA VAL A 8 -14.705 53.696 2.212 1.00 14.56 C ATOM 11 C VAL A 8 -15.985 53.144 1.597 1.00 15.42 C ATOM 12 O VAL A 8 -16.030 51.989 1.171 1.00 15.35 O ATOM 13 CB VAL A 8 -13.724 54.034 1.071 1.00 14.72 C ATOM 14 CG1 VAL A 8 -14.394 54.968 0.071 1.00 14.95 C ATOM 15 CG2 VAL A 8 -12.466 54.678 1.635 1.00 15.89 C ATOM 0 H VAL A 8 -13.743 52.060 2.769 1.00 13.91 H new ATOM 0 HA VAL A 8 -14.894 54.502 2.718 1.00 14.56 H new ATOM 0 HB VAL A 8 -13.474 53.215 0.616 1.00 14.72 H new ATOM 0 HG11 VAL A 8 -13.772 55.177 -0.644 1.00 14.95 H new ATOM 0 HG12 VAL A 8 -15.179 54.536 -0.300 1.00 14.95 H new ATOM 0 HG13 VAL A 8 -14.658 55.787 0.519 1.00 14.95 H new ATOM 0 HG21 VAL A 8 -11.856 54.886 0.910 1.00 15.89 H new ATOM 0 HG22 VAL A 8 -12.702 55.494 2.103 1.00 15.89 H new ATOM 0 HG23 VAL A 8 -12.037 54.065 2.252 1.00 15.89 H new ATOM 16 N GLY A 9 -17.027 53.969 1.563 1.00 15.91 N ATOM 17 CA GLY A 9 -18.291 53.541 0.990 1.00 16.29 C ATOM 18 C GLY A 9 -19.050 52.581 1.883 1.00 16.11 C ATOM 19 O GLY A 9 -19.971 51.896 1.435 1.00 17.02 O ATOM 0 H GLY A 9 -17.020 54.774 1.865 1.00 15.91 H new ATOM 0 HA2 GLY A 9 -18.843 54.320 0.818 1.00 16.29 H new ATOM 0 HA3 GLY A 9 -18.125 53.116 0.134 1.00 16.29 H new ATOM 20 N GLY A 10 -18.659 52.524 3.152 1.00 16.70 N ATOM 21 CA GLY A 10 -19.321 51.636 4.086 1.00 16.50 C ATOM 22 C GLY A 10 -20.410 52.329 4.877 1.00 16.67 C ATOM 23 O GLY A 10 -20.981 53.327 4.434 1.00 17.37 O ATOM 0 H GLY A 10 -18.017 52.989 3.486 1.00 16.70 H new ATOM 0 HA2 GLY A 10 -19.704 50.889 3.600 1.00 16.50 H new ATOM 0 HA3 GLY A 10 -18.665 51.269 4.699 1.00 16.50 H new ATOM 24 N TYR A 11 -20.697 51.801 6.060 1.00 14.54 N ATOM 25 CA TYR A 11 -21.728 52.363 6.918 1.00 14.41 C ATOM 26 C TYR A 11 -21.356 52.170 8.381 1.00 14.20 C ATOM 27 O TYR A 11 -20.509 51.335 8.715 1.00 13.71 O ATOM 28 CB TYR A 11 -23.068 51.681 6.626 1.00 14.88 C ATOM 29 CG TYR A 11 -23.032 50.178 6.815 1.00 14.03 C ATOM 30 CD1 TYR A 11 -23.450 49.595 8.003 1.00 14.08 C ATOM 31 CD2 TYR A 11 -22.548 49.345 5.811 1.00 14.26 C ATOM 32 CE1 TYR A 11 -23.387 48.221 8.189 1.00 15.12 C ATOM 33 CE2 TYR A 11 -22.480 47.976 5.987 1.00 15.31 C ATOM 34 CZ TYR A 11 -22.900 47.420 7.176 1.00 15.68 C ATOM 35 OH TYR A 11 -22.817 46.059 7.356 1.00 18.03 O ATOM 0 H TYR A 11 -20.301 51.110 6.386 1.00 14.54 H new ATOM 0 HA TYR A 11 -21.806 53.313 6.739 1.00 14.41 H new ATOM 0 HB2 TYR A 11 -23.748 52.057 7.207 1.00 14.88 H new ATOM 0 HB3 TYR A 11 -23.332 51.879 5.714 1.00 14.88 H new ATOM 0 HD1 TYR A 11 -23.778 50.134 8.686 1.00 14.08 H new ATOM 0 HD2 TYR A 11 -22.265 49.716 5.007 1.00 14.26 H new ATOM 0 HE1 TYR A 11 -23.671 47.843 8.990 1.00 15.12 H new ATOM 0 HE2 TYR A 11 -22.153 47.433 5.307 1.00 15.31 H new ATOM 0 HH TYR A 11 -23.422 45.808 7.883 1.00 18.03 H new ATOM 36 N THR A 12 -21.978 52.954 9.252 1.00 14.52 N ATOM 37 CA THR A 12 -21.725 52.842 10.679 1.00 14.37 C ATOM 38 C THR A 12 -22.310 51.510 11.145 1.00 14.89 C ATOM 39 O THR A 12 -23.519 51.285 11.053 1.00 15.76 O ATOM 40 CB THR A 12 -22.384 54.001 11.446 1.00 15.02 C ATOM 41 OG1 THR A 12 -21.807 55.241 11.014 1.00 16.27 O ATOM 42 CG2 THR A 12 -22.178 53.835 12.943 1.00 16.20 C ATOM 0 H THR A 12 -22.551 53.558 9.036 1.00 14.52 H new ATOM 0 HA THR A 12 -20.771 52.882 10.851 1.00 14.37 H new ATOM 0 HB THR A 12 -23.337 53.999 11.264 1.00 15.02 H new ATOM 0 HG1 THR A 12 -22.347 55.868 11.160 1.00 16.27 H new ATOM 0 HG21 THR A 12 -22.599 54.573 13.412 1.00 16.20 H new ATOM 0 HG22 THR A 12 -22.575 52.999 13.234 1.00 16.20 H new ATOM 0 HG23 THR A 12 -21.228 53.827 13.140 1.00 16.20 H new ATOM 43 N CYS A 13 -21.445 50.629 11.638 1.00 14.22 N ATOM 44 CA CYS A 13 -21.864 49.307 12.091 1.00 14.33 C ATOM 45 C CYS A 13 -22.957 49.325 13.144 1.00 14.54 C ATOM 46 O CYS A 13 -23.982 48.660 13.011 1.00 15.48 O ATOM 47 CB CYS A 13 -20.691 48.542 12.700 1.00 14.37 C ATOM 48 SG CYS A 13 -19.164 48.354 11.732 1.00 12.23 S ATOM 0 H CYS A 13 -20.602 50.780 11.719 1.00 14.22 H new ATOM 0 HA CYS A 13 -22.207 48.880 11.290 1.00 14.33 H new ATOM 0 HB2 CYS A 13 -20.457 48.979 13.534 1.00 14.37 H new ATOM 0 HB3 CYS A 13 -21.006 47.653 12.925 1.00 14.37 H new ATOM 49 N GLY A 14 -22.712 50.088 14.200 1.00 13.69 N ATOM 50 CA GLY A 14 -23.621 50.155 15.323 1.00 14.14 C ATOM 51 C GLY A 14 -22.750 49.702 16.476 1.00 14.36 C ATOM 52 O GLY A 14 -21.979 48.752 16.335 1.00 14.59 O ATOM 0 H GLY A 14 -22.012 50.581 14.282 1.00 13.69 H new ATOM 0 HA2 GLY A 14 -23.962 51.053 15.459 1.00 14.14 H new ATOM 0 HA3 GLY A 14 -24.389 49.575 15.201 1.00 14.14 H new ATOM 53 N ALA A 15 -22.852 50.376 17.612 1.00 14.33 N ATOM 54 CA ALA A 15 -22.028 50.049 18.769 1.00 13.87 C ATOM 55 C ALA A 15 -21.981 48.573 19.167 1.00 14.52 C ATOM 56 O ALA A 15 -23.006 47.960 19.473 1.00 14.77 O ATOM 57 CB ALA A 15 -22.465 50.891 19.960 1.00 14.40 C ATOM 0 H ALA A 15 -23.396 51.031 17.736 1.00 14.33 H new ATOM 0 HA ALA A 15 -21.121 50.256 18.495 1.00 13.87 H new ATOM 0 HB1 ALA A 15 -21.916 50.673 20.730 1.00 14.40 H new ATOM 0 HB2 ALA A 15 -22.363 51.832 19.747 1.00 14.40 H new ATOM 0 HB3 ALA A 15 -23.395 50.706 20.164 1.00 14.40 H new ATOM 58 N ASN A 16 -20.773 48.012 19.149 1.00 13.80 N ATOM 59 CA ASN A 16 -20.526 46.628 19.542 1.00 14.53 C ATOM 60 C ASN A 16 -21.223 45.545 18.719 1.00 14.00 C ATOM 61 O ASN A 16 -21.429 44.436 19.209 1.00 14.34 O ATOM 62 CB ASN A 16 -20.881 46.454 21.024 1.00 15.02 C ATOM 63 CG ASN A 16 -20.193 47.478 21.913 1.00 15.15 C ATOM 64 OD1 ASN A 16 -20.849 48.264 22.600 1.00 17.28 O ATOM 65 ND2 ASN A 16 -18.866 47.475 21.900 1.00 13.27 N ATOM 0 H ASN A 16 -20.064 48.432 18.904 1.00 13.80 H new ATOM 0 HA ASN A 16 -19.582 46.489 19.367 1.00 14.53 H new ATOM 0 HB2 ASN A 16 -21.842 46.529 21.134 1.00 15.02 H new ATOM 0 HB3 ASN A 16 -20.631 45.562 21.311 1.00 15.02 H new ATOM 0 HD21 ASN A 16 -18.430 48.037 22.384 1.00 13.27 H new ATOM 0 HD22 ASN A 16 -18.442 46.911 21.408 1.00 13.27 H new ATOM 66 N THR A 17 -21.567 45.860 17.474 1.00 14.26 N ATOM 67 CA THR A 17 -22.230 44.902 16.594 1.00 14.24 C ATOM 68 C THR A 17 -21.218 43.936 15.969 1.00 12.67 C ATOM 69 O THR A 17 -21.592 42.953 15.328 1.00 13.25 O ATOM 70 CB THR A 17 -23.018 45.634 15.483 1.00 15.62 C ATOM 71 OG1 THR A 17 -24.117 46.343 16.074 1.00 18.38 O ATOM 72 CG2 THR A 17 -23.553 44.650 14.453 1.00 20.05 C ATOM 0 H THR A 17 -21.424 46.629 17.117 1.00 14.26 H new ATOM 0 HA THR A 17 -22.852 44.389 17.133 1.00 14.24 H new ATOM 0 HB THR A 17 -22.418 46.252 15.036 1.00 15.62 H new ATOM 0 HG1 THR A 17 -24.547 46.744 15.474 1.00 18.38 H new ATOM 0 HG21 THR A 17 -24.042 45.132 13.768 1.00 20.05 H new ATOM 0 HG22 THR A 17 -22.813 44.173 14.046 1.00 20.05 H new ATOM 0 HG23 THR A 17 -24.145 44.016 14.888 1.00 20.05 H new ATOM 73 N VAL A 18 -19.937 44.228 16.170 1.00 11.67 N ATOM 74 CA VAL A 18 -18.837 43.404 15.666 1.00 10.41 C ATOM 75 C VAL A 18 -17.961 43.206 16.904 1.00 10.32 C ATOM 76 O VAL A 18 -16.863 43.755 17.009 1.00 8.96 O ATOM 77 CB VAL A 18 -18.037 44.158 14.575 1.00 9.56 C ATOM 78 CG1 VAL A 18 -17.033 43.224 13.933 1.00 10.82 C ATOM 79 CG2 VAL A 18 -18.987 44.736 13.524 1.00 10.93 C ATOM 0 H VAL A 18 -19.676 44.920 16.609 1.00 11.67 H new ATOM 0 HA VAL A 18 -19.141 42.576 15.262 1.00 10.41 H new ATOM 0 HB VAL A 18 -17.557 44.893 14.987 1.00 9.56 H new ATOM 0 HG11 VAL A 18 -16.536 43.702 13.251 1.00 10.82 H new ATOM 0 HG12 VAL A 18 -16.420 42.894 14.608 1.00 10.82 H new ATOM 0 HG13 VAL A 18 -17.499 42.476 13.528 1.00 10.82 H new ATOM 0 HG21 VAL A 18 -18.474 45.205 12.847 1.00 10.93 H new ATOM 0 HG22 VAL A 18 -19.487 44.016 13.109 1.00 10.93 H new ATOM 0 HG23 VAL A 18 -19.603 45.354 13.949 1.00 10.93 H new ATOM 80 N PRO A 19 -18.444 42.402 17.862 1.00 10.25 N ATOM 81 CA PRO A 19 -17.758 42.114 19.125 1.00 9.70 C ATOM 82 C PRO A 19 -16.363 41.518 19.111 1.00 9.47 C ATOM 83 O PRO A 19 -15.689 41.529 20.137 1.00 10.09 O ATOM 84 CB PRO A 19 -18.764 41.236 19.866 1.00 10.39 C ATOM 85 CG PRO A 19 -19.409 40.477 18.747 1.00 9.87 C ATOM 86 CD PRO A 19 -19.645 41.557 17.716 1.00 10.87 C ATOM 0 HA PRO A 19 -17.531 42.958 19.547 1.00 9.70 H new ATOM 0 HB2 PRO A 19 -18.330 40.645 20.501 1.00 10.39 H new ATOM 0 HB3 PRO A 19 -19.408 41.764 20.364 1.00 10.39 H new ATOM 0 HG2 PRO A 19 -18.833 39.774 18.408 1.00 9.87 H new ATOM 0 HG3 PRO A 19 -20.237 40.056 19.026 1.00 9.87 H new ATOM 0 HD2 PRO A 19 -19.723 41.191 16.821 1.00 10.87 H new ATOM 0 HD3 PRO A 19 -20.460 42.053 17.892 1.00 10.87 H new ATOM 87 N TYR A 20 -15.934 40.997 17.967 1.00 9.21 N ATOM 88 CA TYR A 20 -14.599 40.412 17.852 1.00 8.50 C ATOM 89 C TYR A 20 -13.584 41.411 17.311 1.00 8.30 C ATOM 90 O TYR A 20 -12.383 41.127 17.280 1.00 8.54 O ATOM 91 CB TYR A 20 -14.640 39.179 16.949 1.00 8.20 C ATOM 92 CG TYR A 20 -15.319 39.432 15.631 1.00 8.14 C ATOM 93 CD1 TYR A 20 -14.634 40.011 14.572 1.00 8.29 C ATOM 94 CD2 TYR A 20 -16.665 39.129 15.458 1.00 7.48 C ATOM 95 CE1 TYR A 20 -15.276 40.285 13.374 1.00 8.97 C ATOM 96 CE2 TYR A 20 -17.313 39.398 14.269 1.00 8.35 C ATOM 97 CZ TYR A 20 -16.616 39.976 13.229 1.00 8.90 C ATOM 98 OH TYR A 20 -17.266 40.254 12.047 1.00 9.26 O ATOM 0 H TYR A 20 -16.399 40.971 17.244 1.00 9.21 H new ATOM 0 HA TYR A 20 -14.317 40.155 18.744 1.00 8.50 H new ATOM 0 HB2 TYR A 20 -13.734 38.874 16.786 1.00 8.20 H new ATOM 0 HB3 TYR A 20 -15.101 38.462 17.411 1.00 8.20 H new ATOM 0 HD1 TYR A 20 -13.732 40.218 14.667 1.00 8.29 H new ATOM 0 HD2 TYR A 20 -17.138 38.738 16.157 1.00 7.48 H new ATOM 0 HE1 TYR A 20 -14.808 40.675 12.671 1.00 8.97 H new ATOM 0 HE2 TYR A 20 -18.214 39.191 14.170 1.00 8.35 H new ATOM 0 HH TYR A 20 -16.800 40.782 11.588 1.00 9.26 H new ATOM 99 N GLN A 21 -14.069 42.573 16.881 1.00 7.48 N ATOM 100 CA GLN A 21 -13.202 43.620 16.352 1.00 8.18 C ATOM 101 C GLN A 21 -12.414 44.282 17.472 1.00 8.39 C ATOM 102 O GLN A 21 -12.975 44.697 18.484 1.00 8.75 O ATOM 103 CB GLN A 21 -14.024 44.691 15.635 1.00 8.40 C ATOM 104 CG GLN A 21 -13.220 45.947 15.284 1.00 8.49 C ATOM 105 CD GLN A 21 -12.419 45.810 13.993 1.00 9.55 C ATOM 106 OE1 GLN A 21 -11.209 46.057 13.960 1.00 11.72 O ATOM 107 NE2 GLN A 21 -13.096 45.434 12.923 1.00 7.56 N ATOM 0 H GLN A 21 -14.905 42.775 16.888 1.00 7.48 H new ATOM 0 HA GLN A 21 -12.590 43.204 15.725 1.00 8.18 H new ATOM 0 HB2 GLN A 21 -14.393 44.314 14.821 1.00 8.40 H new ATOM 0 HB3 GLN A 21 -14.774 44.942 16.196 1.00 8.40 H new ATOM 0 HG2 GLN A 21 -13.827 46.699 15.202 1.00 8.49 H new ATOM 0 HG3 GLN A 21 -12.614 46.149 16.013 1.00 8.49 H new ATOM 0 HE21 GLN A 21 -13.938 45.270 12.983 1.00 7.56 H new ATOM 0 HE22 GLN A 21 -12.695 45.353 12.167 1.00 7.56 H new ATOM 108 N VAL A 22 -11.107 44.387 17.280 1.00 8.67 N ATOM 109 CA VAL A 22 -10.254 45.017 18.268 1.00 9.95 C ATOM 110 C VAL A 22 -9.494 46.181 17.643 1.00 8.49 C ATOM 111 O VAL A 22 -9.336 46.259 16.422 1.00 8.49 O ATOM 112 CB VAL A 22 -9.239 44.005 18.839 1.00 13.78 C ATOM 113 CG1 VAL A 22 -8.194 44.723 19.662 1.00 18.84 C ATOM 114 CG2 VAL A 22 -9.961 42.967 19.683 1.00 17.28 C ATOM 0 H VAL A 22 -10.696 44.099 16.582 1.00 8.67 H new ATOM 0 HA VAL A 22 -10.819 45.342 18.986 1.00 9.95 H new ATOM 0 HB VAL A 22 -8.794 43.554 18.104 1.00 13.78 H new ATOM 0 HG11 VAL A 22 -7.562 44.078 20.016 1.00 18.84 H new ATOM 0 HG12 VAL A 22 -7.725 45.362 19.103 1.00 18.84 H new ATOM 0 HG13 VAL A 22 -8.624 45.190 20.396 1.00 18.84 H new ATOM 0 HG21 VAL A 22 -9.317 42.334 20.039 1.00 17.28 H new ATOM 0 HG22 VAL A 22 -10.420 43.407 20.416 1.00 17.28 H new ATOM 0 HG23 VAL A 22 -10.607 42.496 19.134 1.00 17.28 H new ATOM 115 N SER A 23 -9.063 47.101 18.496 1.00 8.46 N ATOM 116 CA SER A 23 -8.271 48.237 18.070 1.00 8.71 C ATOM 117 C SER A 23 -6.914 48.081 18.734 1.00 8.92 C ATOM 118 O SER A 23 -6.834 47.855 19.943 1.00 8.65 O ATOM 119 CB SER A 23 -8.900 49.552 18.529 1.00 8.22 C ATOM 120 OG SER A 23 -7.961 50.611 18.401 1.00 8.44 O ATOM 0 H SER A 23 -9.224 47.081 19.341 1.00 8.46 H new ATOM 0 HA SER A 23 -8.210 48.262 17.102 1.00 8.71 H new ATOM 0 HB2 SER A 23 -9.689 49.744 17.999 1.00 8.22 H new ATOM 0 HB3 SER A 23 -9.189 49.476 19.452 1.00 8.22 H new ATOM 0 HG SER A 23 -7.942 50.874 17.603 1.00 8.44 H new ATOM 121 N LEU A 24 -5.850 48.165 17.946 1.00 7.93 N ATOM 122 CA LEU A 24 -4.506 48.073 18.500 1.00 8.25 C ATOM 123 C LEU A 24 -4.080 49.512 18.756 1.00 8.61 C ATOM 124 O LEU A 24 -4.124 50.356 17.853 1.00 7.85 O ATOM 125 CB LEU A 24 -3.557 47.382 17.517 1.00 9.36 C ATOM 126 CG LEU A 24 -3.964 45.947 17.158 1.00 9.09 C ATOM 127 CD1 LEU A 24 -2.890 45.307 16.297 1.00 10.62 C ATOM 128 CD2 LEU A 24 -4.170 45.129 18.427 1.00 10.12 C ATOM 0 H LEU A 24 -5.883 48.275 17.094 1.00 7.93 H new ATOM 0 HA LEU A 24 -4.484 47.543 19.312 1.00 8.25 H new ATOM 0 HB2 LEU A 24 -3.510 47.908 16.703 1.00 9.36 H new ATOM 0 HB3 LEU A 24 -2.665 47.369 17.898 1.00 9.36 H new ATOM 0 HG LEU A 24 -4.797 45.970 16.661 1.00 9.09 H new ATOM 0 HD11 LEU A 24 -3.152 44.400 16.073 1.00 10.62 H new ATOM 0 HD12 LEU A 24 -2.779 45.822 15.482 1.00 10.62 H new ATOM 0 HD13 LEU A 24 -2.052 45.290 16.785 1.00 10.62 H new ATOM 0 HD21 LEU A 24 -4.427 44.224 18.191 1.00 10.12 H new ATOM 0 HD22 LEU A 24 -3.345 45.108 18.936 1.00 10.12 H new ATOM 0 HD23 LEU A 24 -4.870 45.534 18.963 1.00 10.12 H new ATOM 129 N ASN A 25 -3.674 49.787 19.991 1.00 7.59 N ATOM 130 CA ASN A 25 -3.299 51.138 20.394 1.00 8.40 C ATOM 131 C ASN A 25 -1.880 51.242 20.947 1.00 8.66 C ATOM 132 O ASN A 25 -1.480 50.458 21.808 1.00 9.32 O ATOM 133 CB ASN A 25 -4.317 51.620 21.439 1.00 9.01 C ATOM 134 CG ASN A 25 -4.133 53.073 21.831 1.00 8.04 C ATOM 135 OD1 ASN A 25 -3.161 53.437 22.495 1.00 9.38 O ATOM 136 ND2 ASN A 25 -5.083 53.913 21.430 1.00 9.03 N ATOM 0 H ASN A 25 -3.608 49.200 20.616 1.00 7.59 H new ATOM 0 HA ASN A 25 -3.309 51.700 19.603 1.00 8.40 H new ATOM 0 HB2 ASN A 25 -5.213 51.497 21.089 1.00 9.01 H new ATOM 0 HB3 ASN A 25 -4.244 51.066 22.232 1.00 9.01 H new ATOM 0 HD21 ASN A 25 -5.033 54.747 21.633 1.00 9.03 H new ATOM 0 HD22 ASN A 25 -5.747 53.622 20.968 1.00 9.03 H new ATOM 137 N SER A 26 -1.125 52.211 20.438 1.00 9.26 N ATOM 138 CA SER A 26 0.237 52.460 20.904 1.00 9.63 C ATOM 139 C SER A 26 0.321 53.955 21.202 1.00 11.11 C ATOM 140 O SER A 26 1.297 54.622 20.852 1.00 11.68 O ATOM 141 CB SER A 26 1.259 52.076 19.829 1.00 10.42 C ATOM 142 OG SER A 26 1.152 52.911 18.689 1.00 11.34 O ATOM 0 H SER A 26 -1.387 52.742 19.814 1.00 9.26 H new ATOM 0 HA SER A 26 0.437 51.928 21.690 1.00 9.63 H new ATOM 0 HB2 SER A 26 2.155 52.140 20.195 1.00 10.42 H new ATOM 0 HB3 SER A 26 1.124 51.151 19.568 1.00 10.42 H new ATOM 0 HG SER A 26 1.391 53.691 18.889 1.00 11.34 H new ATOM 143 N GLY A 27 -0.719 54.461 21.861 1.00 9.88 N ATOM 144 CA GLY A 27 -0.812 55.873 22.184 1.00 11.02 C ATOM 145 C GLY A 27 -1.849 56.481 21.256 1.00 10.10 C ATOM 146 O GLY A 27 -2.254 57.633 21.408 1.00 9.96 O ATOM 0 H GLY A 27 -1.388 53.992 22.131 1.00 9.88 H new ATOM 0 HA2 GLY A 27 -1.069 55.995 23.111 1.00 11.02 H new ATOM 0 HA3 GLY A 27 0.047 56.308 22.068 1.00 11.02 H new ATOM 147 N TYR A 28 -2.282 55.673 20.290 1.00 9.39 N ATOM 148 CA TYR A 28 -3.266 56.059 19.282 1.00 8.87 C ATOM 149 C TYR A 28 -3.628 54.777 18.539 1.00 8.80 C ATOM 150 O TYR A 28 -2.875 53.804 18.584 1.00 8.55 O ATOM 151 CB TYR A 28 -2.640 57.051 18.291 1.00 10.78 C ATOM 152 CG TYR A 28 -1.273 56.608 17.813 1.00 11.48 C ATOM 153 CD1 TYR A 28 -0.126 56.929 18.531 1.00 13.53 C ATOM 154 CD2 TYR A 28 -1.139 55.800 16.694 1.00 12.52 C ATOM 155 CE1 TYR A 28 1.114 56.451 18.151 1.00 14.25 C ATOM 156 CE2 TYR A 28 0.101 55.315 16.305 1.00 12.64 C ATOM 157 CZ TYR A 28 1.220 55.642 17.039 1.00 12.93 C ATOM 158 OH TYR A 28 2.447 55.141 16.670 1.00 16.91 O ATOM 0 H TYR A 28 -2.004 54.864 20.201 1.00 9.39 H new ATOM 0 HA TYR A 28 -4.040 56.480 19.688 1.00 8.87 H new ATOM 0 HB2 TYR A 28 -3.228 57.155 17.527 1.00 10.78 H new ATOM 0 HB3 TYR A 28 -2.566 57.921 18.713 1.00 10.78 H new ATOM 0 HD1 TYR A 28 -0.195 57.475 19.281 1.00 13.53 H new ATOM 0 HD2 TYR A 28 -1.893 55.580 16.196 1.00 12.52 H new ATOM 0 HE1 TYR A 28 1.872 56.673 18.642 1.00 14.25 H new ATOM 0 HE2 TYR A 28 0.176 54.772 15.553 1.00 12.64 H new ATOM 0 HH TYR A 28 2.468 55.037 15.837 1.00 16.91 H new ATOM 159 N HIS A 29 -4.775 54.772 17.870 1.00 7.64 N ATOM 160 CA HIS A 29 -5.189 53.603 17.100 1.00 7.59 C ATOM 161 C HIS A 29 -4.313 53.510 15.851 1.00 8.52 C ATOM 162 O HIS A 29 -4.145 54.497 15.137 1.00 9.48 O ATOM 163 CB HIS A 29 -6.648 53.748 16.671 1.00 7.97 C ATOM 164 CG HIS A 29 -7.047 52.801 15.581 1.00 7.50 C ATOM 165 ND1 HIS A 29 -7.489 51.520 15.830 1.00 8.29 N ATOM 166 CD2 HIS A 29 -7.023 52.936 14.233 1.00 9.30 C ATOM 167 CE1 HIS A 29 -7.721 50.906 14.683 1.00 7.96 C ATOM 168 NE2 HIS A 29 -7.445 51.743 13.699 1.00 9.07 N ATOM 0 H HIS A 29 -5.327 55.432 17.848 1.00 7.64 H new ATOM 0 HA HIS A 29 -5.095 52.806 17.645 1.00 7.59 H new ATOM 0 HB2 HIS A 29 -7.220 53.603 17.441 1.00 7.97 H new ATOM 0 HB3 HIS A 29 -6.801 54.658 16.371 1.00 7.97 H new ATOM 0 HD2 HIS A 29 -6.769 53.694 13.758 1.00 9.30 H new ATOM 0 HE1 HIS A 29 -8.027 50.033 14.585 1.00 7.96 H new ATOM 0 HE2 HIS A 29 -7.518 51.569 12.860 1.00 9.07 H new ATOM 169 N PHE A 30 -3.762 52.334 15.574 1.00 8.19 N ATOM 170 CA PHE A 30 -2.924 52.195 14.388 1.00 9.09 C ATOM 171 C PHE A 30 -3.266 50.992 13.510 1.00 9.00 C ATOM 172 O PHE A 30 -2.809 50.904 12.374 1.00 10.26 O ATOM 173 CB PHE A 30 -1.444 52.149 14.789 1.00 9.12 C ATOM 174 CG PHE A 30 -1.045 50.905 15.533 1.00 8.95 C ATOM 175 CD1 PHE A 30 -0.673 49.757 14.846 1.00 10.72 C ATOM 176 CD2 PHE A 30 -1.040 50.882 16.917 1.00 10.62 C ATOM 177 CE1 PHE A 30 -0.302 48.611 15.530 1.00 10.33 C ATOM 178 CE2 PHE A 30 -0.673 49.743 17.604 1.00 9.97 C ATOM 179 CZ PHE A 30 -0.301 48.602 16.906 1.00 10.07 C ATOM 0 H PHE A 30 -3.856 51.621 16.045 1.00 8.19 H new ATOM 0 HA PHE A 30 -3.105 52.979 13.846 1.00 9.09 H new ATOM 0 HB2 PHE A 30 -0.900 52.224 13.989 1.00 9.12 H new ATOM 0 HB3 PHE A 30 -1.245 52.922 15.341 1.00 9.12 H new ATOM 0 HD1 PHE A 30 -0.673 49.758 13.916 1.00 10.72 H new ATOM 0 HD2 PHE A 30 -1.287 51.644 17.390 1.00 10.62 H new ATOM 0 HE1 PHE A 30 -0.054 47.848 15.060 1.00 10.33 H new ATOM 0 HE2 PHE A 30 -0.675 49.740 18.534 1.00 9.97 H new ATOM 0 HZ PHE A 30 -0.052 47.834 17.367 1.00 10.07 H new ATOM 180 N CYS A 31 -4.070 50.071 14.031 1.00 7.28 N ATOM 181 CA CYS A 31 -4.460 48.878 13.277 1.00 7.95 C ATOM 182 C CYS A 31 -5.618 48.173 13.959 1.00 7.44 C ATOM 183 O CYS A 31 -5.896 48.394 15.139 1.00 7.40 O ATOM 184 CB CYS A 31 -3.303 47.877 13.187 1.00 8.58 C ATOM 185 SG CYS A 31 -2.109 48.075 11.825 1.00 8.87 S ATOM 0 H CYS A 31 -4.403 50.116 14.823 1.00 7.28 H new ATOM 0 HA CYS A 31 -4.713 49.175 12.389 1.00 7.95 H new ATOM 0 HB2 CYS A 31 -2.811 47.915 14.022 1.00 8.58 H new ATOM 0 HB3 CYS A 31 -3.684 46.987 13.122 1.00 8.58 H new ATOM 186 N GLY A 32 -6.291 47.321 13.197 1.00 7.58 N ATOM 187 CA GLY A 32 -7.379 46.538 13.741 1.00 7.38 C ATOM 188 C GLY A 32 -6.853 45.148 14.049 1.00 8.46 C ATOM 189 O GLY A 32 -5.678 44.853 13.820 1.00 7.12 O ATOM 0 H GLY A 32 -6.130 47.184 12.363 1.00 7.58 H new ATOM 0 HA2 GLY A 32 -7.727 46.954 14.545 1.00 7.38 H new ATOM 0 HA3 GLY A 32 -8.112 46.490 13.107 1.00 7.38 H new ATOM 190 N GLY A 33 -7.730 44.298 14.568 1.00 7.37 N ATOM 191 CA GLY A 33 -7.373 42.931 14.896 1.00 7.01 C ATOM 192 C GLY A 33 -8.649 42.171 15.197 1.00 7.45 C ATOM 193 O GLY A 33 -9.726 42.766 15.249 1.00 8.01 O ATOM 0 H GLY A 33 -8.548 44.500 14.739 1.00 7.37 H new ATOM 0 HA2 GLY A 33 -6.899 42.518 14.157 1.00 7.01 H new ATOM 0 HA3 GLY A 33 -6.778 42.911 15.662 1.00 7.01 H new ATOM 194 N SER A 34 -8.532 40.862 15.390 1.00 6.98 N ATOM 195 CA SER A 34 -9.687 40.023 15.681 1.00 7.34 C ATOM 196 C SER A 34 -9.409 39.128 16.883 1.00 7.22 C ATOM 197 O SER A 34 -8.366 38.483 16.951 1.00 8.16 O ATOM 198 CB SER A 34 -10.018 39.146 14.473 1.00 7.49 C ATOM 199 OG SER A 34 -10.254 39.928 13.316 1.00 8.55 O ATOM 0 H SER A 34 -7.785 40.437 15.356 1.00 6.98 H new ATOM 0 HA SER A 34 -10.439 40.603 15.880 1.00 7.34 H new ATOM 0 HB2 SER A 34 -9.286 38.532 14.307 1.00 7.49 H new ATOM 0 HB3 SER A 34 -10.801 38.608 14.667 1.00 7.49 H new ATOM 0 HG SER A 34 -9.538 40.016 12.886 1.00 8.55 H new ATOM 200 N LEU A 35 -10.347 39.092 17.825 1.00 7.49 N ATOM 201 CA LEU A 35 -10.207 38.254 19.013 1.00 7.98 C ATOM 202 C LEU A 35 -10.578 36.816 18.644 1.00 8.29 C ATOM 203 O LEU A 35 -11.682 36.575 18.157 1.00 8.89 O ATOM 204 CB LEU A 35 -11.145 38.762 20.115 1.00 8.93 C ATOM 205 CG LEU A 35 -10.978 38.151 21.507 1.00 8.25 C ATOM 206 CD1 LEU A 35 -9.629 38.564 22.072 1.00 8.76 C ATOM 207 CD2 LEU A 35 -12.101 38.623 22.423 1.00 11.15 C ATOM 0 H LEU A 35 -11.076 39.548 17.795 1.00 7.49 H new ATOM 0 HA LEU A 35 -9.293 38.287 19.336 1.00 7.98 H new ATOM 0 HB2 LEU A 35 -11.028 39.722 20.191 1.00 8.93 H new ATOM 0 HB3 LEU A 35 -12.059 38.610 19.827 1.00 8.93 H new ATOM 0 HG LEU A 35 -11.019 37.184 21.445 1.00 8.25 H new ATOM 0 HD11 LEU A 35 -9.517 38.180 22.955 1.00 8.76 H new ATOM 0 HD12 LEU A 35 -8.922 38.245 21.489 1.00 8.76 H new ATOM 0 HD13 LEU A 35 -9.586 39.531 22.133 1.00 8.76 H new ATOM 0 HD21 LEU A 35 -11.987 38.231 23.303 1.00 11.15 H new ATOM 0 HD22 LEU A 35 -12.076 39.590 22.495 1.00 11.15 H new ATOM 0 HD23 LEU A 35 -12.956 38.349 22.055 1.00 11.15 H new ATOM 208 N ILE A 36 -9.670 35.863 18.857 1.00 8.54 N ATOM 209 CA ILE A 36 -9.989 34.477 18.515 1.00 10.08 C ATOM 210 C ILE A 36 -10.278 33.606 19.740 1.00 10.57 C ATOM 211 O ILE A 36 -10.790 32.498 19.616 1.00 10.85 O ATOM 212 CB ILE A 36 -8.901 33.836 17.616 1.00 10.46 C ATOM 213 CG1 ILE A 36 -7.527 33.936 18.269 1.00 12.05 C ATOM 214 CG2 ILE A 36 -8.897 34.526 16.252 1.00 13.63 C ATOM 215 CD1 ILE A 36 -6.478 33.062 17.583 1.00 13.83 C ATOM 0 H ILE A 36 -8.887 35.991 19.188 1.00 8.54 H new ATOM 0 HA ILE A 36 -10.812 34.516 18.004 1.00 10.08 H new ATOM 0 HB ILE A 36 -9.105 32.895 17.499 1.00 10.46 H new ATOM 0 HG12 ILE A 36 -7.233 34.860 18.252 1.00 12.05 H new ATOM 0 HG13 ILE A 36 -7.597 33.677 19.201 1.00 12.05 H new ATOM 0 HG21 ILE A 36 -8.216 34.126 15.689 1.00 13.63 H new ATOM 0 HG22 ILE A 36 -9.766 34.421 15.833 1.00 13.63 H new ATOM 0 HG23 ILE A 36 -8.706 35.470 16.367 1.00 13.63 H new ATOM 0 HD11 ILE A 36 -5.626 33.163 18.036 1.00 13.83 H new ATOM 0 HD12 ILE A 36 -6.756 32.133 17.620 1.00 13.83 H new ATOM 0 HD13 ILE A 36 -6.385 33.334 16.657 1.00 13.83 H new ATOM 216 N ASN A 37 -9.919 34.115 20.914 1.00 10.80 N ATOM 217 CA ASN A 37 -10.225 33.480 22.199 1.00 10.24 C ATOM 218 C ASN A 37 -9.896 34.502 23.283 1.00 11.25 C ATOM 219 O ASN A 37 -9.410 35.587 22.971 1.00 12.04 O ATOM 220 CB ASN A 37 -9.522 32.113 22.415 1.00 11.20 C ATOM 221 CG ASN A 37 -8.016 32.204 22.538 1.00 12.59 C ATOM 222 OD1 ASN A 37 -7.478 33.025 23.276 1.00 13.59 O ATOM 223 ND2 ASN A 37 -7.323 31.315 21.830 1.00 16.50 N ATOM 0 H ASN A 37 -9.483 34.852 20.991 1.00 10.80 H new ATOM 0 HA ASN A 37 -11.165 33.242 22.228 1.00 10.24 H new ATOM 0 HB2 ASN A 37 -9.878 31.701 23.218 1.00 11.20 H new ATOM 0 HB3 ASN A 37 -9.741 31.527 21.674 1.00 11.20 H new ATOM 0 HD21 ASN A 37 -6.465 31.301 21.879 1.00 16.50 H new ATOM 0 HD22 ASN A 37 -7.734 30.755 21.323 1.00 16.50 H new ATOM 224 N SER A 38 -10.173 34.190 24.544 1.00 11.52 N ATOM 225 CA SER A 38 -9.936 35.165 25.610 1.00 11.39 C ATOM 226 C SER A 38 -8.505 35.669 25.777 1.00 10.61 C ATOM 227 O SER A 38 -8.283 36.714 26.384 1.00 10.89 O ATOM 228 CB SER A 38 -10.426 34.612 26.952 1.00 11.53 C ATOM 229 OG SER A 38 -9.564 33.599 27.435 1.00 14.52 O ATOM 0 H SER A 38 -10.493 33.435 24.803 1.00 11.52 H new ATOM 0 HA SER A 38 -10.443 35.941 25.324 1.00 11.39 H new ATOM 0 HB2 SER A 38 -10.479 35.331 27.601 1.00 11.53 H new ATOM 0 HB3 SER A 38 -11.322 34.256 26.850 1.00 11.53 H new ATOM 0 HG SER A 38 -9.766 32.866 27.078 1.00 14.52 H new ATOM 230 N GLN A 39 -7.534 34.951 25.229 1.00 10.37 N ATOM 231 CA GLN A 39 -6.145 35.355 25.386 1.00 10.88 C ATOM 232 C GLN A 39 -5.399 35.725 24.109 1.00 10.07 C ATOM 233 O GLN A 39 -4.268 36.202 24.183 1.00 10.46 O ATOM 234 CB GLN A 39 -5.364 34.242 26.098 1.00 13.03 C ATOM 235 CG GLN A 39 -5.879 33.901 27.489 1.00 15.49 C ATOM 236 CD GLN A 39 -5.000 32.894 28.200 1.00 17.96 C ATOM 237 OE1 GLN A 39 -3.781 33.053 28.255 1.00 22.49 O ATOM 238 NE2 GLN A 39 -5.613 31.855 28.758 1.00 17.39 N ATOM 0 H GLN A 39 -7.655 34.235 24.768 1.00 10.37 H new ATOM 0 HA GLN A 39 -6.192 36.173 25.905 1.00 10.88 H new ATOM 0 HB2 GLN A 39 -5.391 33.442 25.550 1.00 13.03 H new ATOM 0 HB3 GLN A 39 -4.434 34.508 26.166 1.00 13.03 H new ATOM 0 HG2 GLN A 39 -5.932 34.712 28.019 1.00 15.49 H new ATOM 0 HG3 GLN A 39 -6.780 33.548 27.420 1.00 15.49 H new ATOM 0 HE21 GLN A 39 -6.467 31.777 28.699 1.00 17.39 H new ATOM 0 HE22 GLN A 39 -5.155 31.260 29.178 1.00 17.39 H new ATOM 239 N TRP A 40 -6.025 35.539 22.950 1.00 9.84 N ATOM 240 CA TRP A 40 -5.339 35.810 21.690 1.00 9.14 C ATOM 241 C TRP A 40 -6.061 36.641 20.643 1.00 8.16 C ATOM 242 O TRP A 40 -7.267 36.525 20.454 1.00 8.90 O ATOM 243 CB TRP A 40 -4.924 34.490 21.046 1.00 9.48 C ATOM 244 CG TRP A 40 -3.889 33.738 21.816 1.00 8.51 C ATOM 245 CD1 TRP A 40 -4.101 32.838 22.821 1.00 10.09 C ATOM 246 CD2 TRP A 40 -2.473 33.817 21.638 1.00 8.40 C ATOM 247 NE1 TRP A 40 -2.900 32.348 23.275 1.00 9.72 N ATOM 248 CE2 TRP A 40 -1.884 32.934 22.564 1.00 9.50 C ATOM 249 CE3 TRP A 40 -1.645 34.548 20.780 1.00 9.22 C ATOM 250 CZ2 TRP A 40 -0.504 32.761 22.657 1.00 8.73 C ATOM 251 CZ3 TRP A 40 -0.275 34.374 20.871 1.00 9.31 C ATOM 252 CH2 TRP A 40 0.282 33.487 21.802 1.00 9.25 C ATOM 0 H TRP A 40 -6.835 35.261 22.871 1.00 9.84 H new ATOM 0 HA TRP A 40 -4.594 36.367 21.965 1.00 9.14 H new ATOM 0 HB2 TRP A 40 -5.709 33.929 20.944 1.00 9.48 H new ATOM 0 HB3 TRP A 40 -4.585 34.668 20.155 1.00 9.48 H new ATOM 0 HD1 TRP A 40 -4.936 32.593 23.150 1.00 10.09 H new ATOM 0 HE1 TRP A 40 -2.802 31.768 23.903 1.00 9.72 H new ATOM 0 HE3 TRP A 40 -2.008 35.139 20.161 1.00 9.22 H new ATOM 0 HZ2 TRP A 40 -0.131 32.175 23.276 1.00 8.73 H new ATOM 0 HZ3 TRP A 40 0.285 34.854 20.305 1.00 9.31 H new ATOM 0 HH2 TRP A 40 1.206 33.389 21.840 1.00 9.25 H new ATOM 253 N VAL A 41 -5.277 37.454 19.940 1.00 7.62 N ATOM 254 CA VAL A 41 -5.765 38.312 18.869 1.00 8.57 C ATOM 255 C VAL A 41 -4.960 38.049 17.596 1.00 8.17 C ATOM 256 O VAL A 41 -3.749 37.819 17.652 1.00 9.37 O ATOM 257 CB VAL A 41 -5.610 39.809 19.239 1.00 8.01 C ATOM 258 CG1 VAL A 41 -5.774 40.679 17.998 1.00 9.37 C ATOM 259 CG2 VAL A 41 -6.639 40.198 20.287 1.00 8.80 C ATOM 0 H VAL A 41 -4.431 37.522 20.076 1.00 7.62 H new ATOM 0 HA VAL A 41 -6.704 38.112 18.731 1.00 8.57 H new ATOM 0 HB VAL A 41 -4.722 39.949 19.603 1.00 8.01 H new ATOM 0 HG11 VAL A 41 -5.675 41.613 18.242 1.00 9.37 H new ATOM 0 HG12 VAL A 41 -5.097 40.442 17.345 1.00 9.37 H new ATOM 0 HG13 VAL A 41 -6.654 40.536 17.617 1.00 9.37 H new ATOM 0 HG21 VAL A 41 -6.534 41.136 20.512 1.00 8.80 H new ATOM 0 HG22 VAL A 41 -7.531 40.048 19.936 1.00 8.80 H new ATOM 0 HG23 VAL A 41 -6.510 39.659 21.083 1.00 8.80 H new ATOM 260 N VAL A 42 -5.646 38.057 16.457 1.00 7.85 N ATOM 261 CA VAL A 42 -5.010 37.872 15.155 1.00 8.31 C ATOM 262 C VAL A 42 -5.027 39.213 14.425 1.00 7.97 C ATOM 263 O VAL A 42 -6.046 39.901 14.402 1.00 7.59 O ATOM 264 CB VAL A 42 -5.767 36.841 14.287 1.00 9.86 C ATOM 265 CG1 VAL A 42 -5.309 36.954 12.833 1.00 13.27 C ATOM 266 CG2 VAL A 42 -5.530 35.434 14.814 1.00 12.64 C ATOM 0 H VAL A 42 -6.498 38.170 16.417 1.00 7.85 H new ATOM 0 HA VAL A 42 -4.108 37.546 15.298 1.00 8.31 H new ATOM 0 HB VAL A 42 -6.718 37.026 14.330 1.00 9.86 H new ATOM 0 HG11 VAL A 42 -5.786 36.306 12.292 1.00 13.27 H new ATOM 0 HG12 VAL A 42 -5.494 37.848 12.504 1.00 13.27 H new ATOM 0 HG13 VAL A 42 -4.356 36.781 12.779 1.00 13.27 H new ATOM 0 HG21 VAL A 42 -6.009 34.796 14.262 1.00 12.64 H new ATOM 0 HG22 VAL A 42 -4.581 35.234 14.788 1.00 12.64 H new ATOM 0 HG23 VAL A 42 -5.848 35.373 15.728 1.00 12.64 H new ATOM 267 N SER A 43 -3.892 39.589 13.848 1.00 7.34 N ATOM 268 CA SER A 43 -3.798 40.845 13.109 1.00 6.82 C ATOM 269 C SER A 43 -2.832 40.657 11.944 1.00 7.07 C ATOM 270 O SER A 43 -2.427 39.535 11.644 1.00 7.33 O ATOM 271 CB SER A 43 -3.313 41.974 14.034 1.00 7.09 C ATOM 272 OG SER A 43 -3.384 43.248 13.401 1.00 7.34 O ATOM 0 H SER A 43 -3.164 39.132 13.872 1.00 7.34 H new ATOM 0 HA SER A 43 -4.672 41.092 12.769 1.00 6.82 H new ATOM 0 HB2 SER A 43 -3.851 41.984 14.841 1.00 7.09 H new ATOM 0 HB3 SER A 43 -2.398 41.799 14.305 1.00 7.09 H new ATOM 0 HG SER A 43 -4.109 43.621 13.602 1.00 7.34 H new ATOM 273 N ALA A 44 -2.475 41.753 11.284 1.00 6.24 N ATOM 274 CA ALA A 44 -1.543 41.696 10.164 1.00 7.68 C ATOM 275 C ALA A 44 -0.109 41.831 10.661 1.00 7.43 C ATOM 276 O ALA A 44 0.164 42.583 11.591 1.00 7.81 O ATOM 277 CB ALA A 44 -1.845 42.811 9.176 1.00 8.24 C ATOM 0 H ALA A 44 -2.762 42.542 11.470 1.00 6.24 H new ATOM 0 HA ALA A 44 -1.646 40.839 9.722 1.00 7.68 H new ATOM 0 HB1 ALA A 44 -1.221 42.765 8.435 1.00 8.24 H new ATOM 0 HB2 ALA A 44 -2.750 42.711 8.842 1.00 8.24 H new ATOM 0 HB3 ALA A 44 -1.757 43.669 9.620 1.00 8.24 H new ATOM 278 N ALA A 45 0.809 41.102 10.038 1.00 7.36 N ATOM 279 CA ALA A 45 2.210 41.186 10.427 1.00 7.05 C ATOM 280 C ALA A 45 2.759 42.592 10.197 1.00 7.00 C ATOM 281 O ALA A 45 3.628 43.045 10.947 1.00 7.38 O ATOM 282 CB ALA A 45 3.043 40.169 9.644 1.00 7.18 C ATOM 0 H ALA A 45 0.644 40.557 9.393 1.00 7.36 H new ATOM 0 HA ALA A 45 2.269 40.984 11.374 1.00 7.05 H new ATOM 0 HB1 ALA A 45 3.973 40.236 9.913 1.00 7.18 H new ATOM 0 HB2 ALA A 45 2.718 39.274 9.828 1.00 7.18 H new ATOM 0 HB3 ALA A 45 2.968 40.351 8.694 1.00 7.18 H new ATOM 283 N HIS A 46 2.259 43.295 9.180 1.00 7.25 N ATOM 284 CA HIS A 46 2.781 44.630 8.926 1.00 7.33 C ATOM 285 C HIS A 46 2.315 45.644 9.968 1.00 8.84 C ATOM 286 O HIS A 46 2.699 46.813 9.929 1.00 10.48 O ATOM 287 CB HIS A 46 2.478 45.097 7.486 1.00 9.01 C ATOM 288 CG HIS A 46 1.107 45.663 7.274 1.00 7.36 C ATOM 289 ND1 HIS A 46 0.063 44.924 6.756 1.00 8.69 N ATOM 290 CD2 HIS A 46 0.634 46.923 7.425 1.00 9.38 C ATOM 291 CE1 HIS A 46 -0.990 45.705 6.595 1.00 10.42 C ATOM 292 NE2 HIS A 46 -0.669 46.924 6.993 1.00 10.95 N ATOM 0 H HIS A 46 1.641 43.027 8.645 1.00 7.25 H new ATOM 0 HA HIS A 46 3.746 44.574 9.011 1.00 7.33 H new ATOM 0 HB2 HIS A 46 3.132 45.768 7.235 1.00 9.01 H new ATOM 0 HB3 HIS A 46 2.598 44.345 6.885 1.00 9.01 H new ATOM 0 HD1 HIS A 46 0.093 44.085 6.567 1.00 8.69 H new ATOM 0 HD2 HIS A 46 1.105 47.652 7.759 1.00 9.38 H new ATOM 0 HE1 HIS A 46 -1.816 45.442 6.259 1.00 10.42 H new ATOM 293 N CYS A 47 1.512 45.179 10.922 1.00 8.43 N ATOM 294 CA CYS A 47 1.047 46.031 12.013 1.00 8.88 C ATOM 295 C CYS A 47 1.955 45.859 13.229 1.00 10.36 C ATOM 296 O CYS A 47 1.762 46.513 14.253 1.00 11.83 O ATOM 297 CB CYS A 47 -0.375 45.665 12.434 1.00 7.79 C ATOM 298 SG CYS A 47 -1.697 46.158 11.289 1.00 9.14 S ATOM 0 H CYS A 47 1.224 44.369 10.955 1.00 8.43 H new ATOM 0 HA CYS A 47 1.065 46.947 11.695 1.00 8.88 H new ATOM 0 HB2 CYS A 47 -0.420 44.704 12.557 1.00 7.79 H new ATOM 0 HB3 CYS A 47 -0.552 46.070 13.298 1.00 7.79 H new ATOM 299 N TYR A 48 2.936 44.971 13.124 1.00 9.21 N ATOM 300 CA TYR A 48 3.833 44.729 14.241 1.00 9.45 C ATOM 301 C TYR A 48 4.526 45.980 14.753 1.00 9.99 C ATOM 302 O TYR A 48 4.980 46.829 13.983 1.00 10.41 O ATOM 303 CB TYR A 48 4.896 43.685 13.883 1.00 9.60 C ATOM 304 CG TYR A 48 6.032 43.669 14.884 1.00 11.58 C ATOM 305 CD1 TYR A 48 7.180 44.420 14.664 1.00 12.75 C ATOM 306 CD2 TYR A 48 5.911 42.997 16.095 1.00 12.06 C ATOM 307 CE1 TYR A 48 8.168 44.511 15.620 1.00 14.20 C ATOM 308 CE2 TYR A 48 6.901 43.085 17.062 1.00 13.18 C ATOM 309 CZ TYR A 48 8.024 43.848 16.813 1.00 14.62 C ATOM 310 OH TYR A 48 9.017 43.973 17.756 1.00 17.15 O ATOM 0 H TYR A 48 3.097 44.503 12.421 1.00 9.21 H new ATOM 0 HA TYR A 48 3.263 44.399 14.953 1.00 9.45 H new ATOM 0 HB2 TYR A 48 4.486 42.807 13.845 1.00 9.60 H new ATOM 0 HB3 TYR A 48 5.247 43.872 12.998 1.00 9.60 H new ATOM 0 HD1 TYR A 48 7.283 44.870 13.857 1.00 12.75 H new ATOM 0 HD2 TYR A 48 5.155 42.481 16.259 1.00 12.06 H new ATOM 0 HE1 TYR A 48 8.929 45.020 15.458 1.00 14.20 H new ATOM 0 HE2 TYR A 48 6.809 42.634 17.870 1.00 13.18 H new ATOM 0 HH TYR A 48 8.815 43.525 18.437 1.00 17.15 H new ATOM 311 N LYS A 49 4.613 46.063 16.074 1.00 11.06 N ATOM 312 CA LYS A 49 5.255 47.177 16.752 1.00 14.04 C ATOM 313 C LYS A 49 5.383 46.794 18.218 1.00 14.24 C ATOM 314 O LYS A 49 4.716 45.867 18.679 1.00 13.88 O ATOM 315 CB LYS A 49 4.390 48.432 16.636 1.00 18.10 C ATOM 316 CG LYS A 49 4.991 49.663 17.275 1.00 22.39 C ATOM 317 CD LYS A 49 3.931 50.727 17.502 1.00 22.36 C ATOM 318 CE LYS A 49 3.050 50.899 16.276 1.00 21.03 C ATOM 319 NZ LYS A 49 2.502 52.280 16.189 1.00 19.15 N ATOM 0 H LYS A 49 4.297 45.467 16.607 1.00 11.06 H new ATOM 0 HA LYS A 49 6.121 47.362 16.356 1.00 14.04 H new ATOM 0 HB2 LYS A 49 4.227 48.614 15.697 1.00 18.10 H new ATOM 0 HB3 LYS A 49 3.528 48.257 17.044 1.00 18.10 H new ATOM 0 HG2 LYS A 49 5.402 49.425 18.121 1.00 22.39 H new ATOM 0 HG3 LYS A 49 5.694 50.017 16.707 1.00 22.39 H new ATOM 0 HD2 LYS A 49 3.383 50.483 18.265 1.00 22.36 H new ATOM 0 HD3 LYS A 49 4.358 51.571 17.717 1.00 22.36 H new ATOM 0 HE2 LYS A 49 3.563 50.702 15.477 1.00 21.03 H new ATOM 0 HE3 LYS A 49 2.320 50.261 16.308 1.00 21.03 H new ATOM 0 HZ1 LYS A 49 2.126 52.401 15.391 1.00 19.15 H new ATOM 0 HZ2 LYS A 49 1.891 52.398 16.825 1.00 19.15 H new ATOM 0 HZ3 LYS A 49 3.161 52.868 16.298 1.00 19.15 H new ATOM 320 N SER A 50 6.247 47.494 18.944 1.00 16.59 N ATOM 321 CA SER A 50 6.413 47.235 20.367 1.00 18.22 C ATOM 322 C SER A 50 5.396 48.094 21.115 1.00 16.80 C ATOM 323 O SER A 50 4.834 49.033 20.549 1.00 17.43 O ATOM 324 CB SER A 50 7.831 47.600 20.817 1.00 19.98 C ATOM 325 OG SER A 50 8.798 46.846 20.107 1.00 25.34 O ATOM 0 H SER A 50 6.745 48.122 18.632 1.00 16.59 H new ATOM 0 HA SER A 50 6.273 46.293 20.553 1.00 18.22 H new ATOM 0 HB2 SER A 50 7.986 48.547 20.674 1.00 19.98 H new ATOM 0 HB3 SER A 50 7.924 47.437 21.769 1.00 19.98 H new ATOM 0 HG SER A 50 9.051 47.279 19.433 1.00 25.34 H new ATOM 326 N GLY A 51 5.154 47.761 22.380 1.00 17.13 N ATOM 327 CA GLY A 51 4.224 48.527 23.193 1.00 16.28 C ATOM 328 C GLY A 51 2.786 48.568 22.709 1.00 14.89 C ATOM 329 O GLY A 51 2.175 49.638 22.643 1.00 16.49 O ATOM 0 H GLY A 51 5.519 47.095 22.783 1.00 17.13 H new ATOM 0 HA2 GLY A 51 4.233 48.162 24.092 1.00 16.28 H new ATOM 0 HA3 GLY A 51 4.551 49.438 23.254 1.00 16.28 H new ATOM 330 N ILE A 52 2.231 47.406 22.387 1.00 13.39 N ATOM 331 CA ILE A 52 0.856 47.338 21.912 1.00 12.24 C ATOM 332 C ILE A 52 -0.156 47.124 23.032 1.00 11.68 C ATOM 333 O ILE A 52 0.033 46.272 23.900 1.00 13.06 O ATOM 334 CB ILE A 52 0.664 46.179 20.903 1.00 10.46 C ATOM 335 CG1 ILE A 52 1.495 46.426 19.643 1.00 11.81 C ATOM 336 CG2 ILE A 52 -0.816 46.026 20.559 1.00 11.90 C ATOM 337 CD1 ILE A 52 1.366 45.327 18.612 1.00 15.12 C ATOM 0 H ILE A 52 2.633 46.647 22.436 1.00 13.39 H new ATOM 0 HA ILE A 52 0.696 48.199 21.494 1.00 12.24 H new ATOM 0 HB ILE A 52 0.972 45.353 21.308 1.00 10.46 H new ATOM 0 HG12 ILE A 52 1.223 47.267 19.244 1.00 11.81 H new ATOM 0 HG13 ILE A 52 2.428 46.518 19.892 1.00 11.81 H new ATOM 0 HG21 ILE A 52 -0.928 45.299 19.927 1.00 11.90 H new ATOM 0 HG22 ILE A 52 -1.318 45.832 21.366 1.00 11.90 H new ATOM 0 HG23 ILE A 52 -1.144 46.850 20.165 1.00 11.90 H new ATOM 0 HD11 ILE A 52 1.914 45.541 17.841 1.00 15.12 H new ATOM 0 HD12 ILE A 52 1.662 44.487 18.996 1.00 15.12 H new ATOM 0 HD13 ILE A 52 0.439 45.248 18.338 1.00 15.12 H new ATOM 338 N GLN A 53 -1.221 47.917 23.018 1.00 10.55 N ATOM 339 CA GLN A 53 -2.298 47.751 23.984 1.00 10.01 C ATOM 340 C GLN A 53 -3.519 47.354 23.166 1.00 8.93 C ATOM 341 O GLN A 53 -3.902 48.044 22.219 1.00 10.07 O ATOM 342 CB GLN A 53 -2.606 49.039 24.756 1.00 10.45 C ATOM 343 CG GLN A 53 -3.672 48.824 25.835 1.00 11.75 C ATOM 344 CD GLN A 53 -4.122 50.107 26.508 1.00 12.65 C ATOM 345 OE1 GLN A 53 -4.664 51.005 25.865 1.00 12.82 O ATOM 346 NE2 GLN A 53 -3.905 50.193 27.815 1.00 14.39 N ATOM 0 H GLN A 53 -1.339 48.558 22.457 1.00 10.55 H new ATOM 0 HA GLN A 53 -2.047 47.090 24.648 1.00 10.01 H new ATOM 0 HB2 GLN A 53 -1.793 49.370 25.168 1.00 10.45 H new ATOM 0 HB3 GLN A 53 -2.908 49.722 24.136 1.00 10.45 H new ATOM 0 HG2 GLN A 53 -4.442 48.390 25.436 1.00 11.75 H new ATOM 0 HG3 GLN A 53 -3.323 48.220 26.508 1.00 11.75 H new ATOM 0 HE21 GLN A 53 -3.523 49.544 28.231 1.00 14.39 H new ATOM 0 HE22 GLN A 53 -4.146 50.897 28.246 1.00 14.39 H new ATOM 347 N VAL A 54 -4.117 46.226 23.518 1.00 8.41 N ATOM 348 CA VAL A 54 -5.295 45.753 22.815 1.00 8.52 C ATOM 349 C VAL A 54 -6.535 46.381 23.444 1.00 8.12 C ATOM 350 O VAL A 54 -6.707 46.364 24.665 1.00 9.17 O ATOM 351 CB VAL A 54 -5.391 44.215 22.884 1.00 8.30 C ATOM 352 CG1 VAL A 54 -6.692 43.738 22.269 1.00 10.79 C ATOM 353 CG2 VAL A 54 -4.203 43.601 22.154 1.00 11.18 C ATOM 0 H VAL A 54 -3.855 45.720 24.162 1.00 8.41 H new ATOM 0 HA VAL A 54 -5.232 46.010 21.882 1.00 8.52 H new ATOM 0 HB VAL A 54 -5.375 43.936 23.813 1.00 8.30 H new ATOM 0 HG11 VAL A 54 -6.738 42.770 22.319 1.00 10.79 H new ATOM 0 HG12 VAL A 54 -7.439 44.123 22.753 1.00 10.79 H new ATOM 0 HG13 VAL A 54 -6.732 44.015 21.340 1.00 10.79 H new ATOM 0 HG21 VAL A 54 -4.262 42.634 22.196 1.00 11.18 H new ATOM 0 HG22 VAL A 54 -4.211 43.885 21.226 1.00 11.18 H new ATOM 0 HG23 VAL A 54 -3.379 43.893 22.574 1.00 11.18 H new ATOM 354 N ARG A 55 -7.388 46.958 22.606 1.00 8.02 N ATOM 355 CA ARG A 55 -8.605 47.585 23.095 1.00 7.07 C ATOM 356 C ARG A 55 -9.824 46.851 22.555 1.00 7.47 C ATOM 357 O ARG A 55 -10.084 46.844 21.346 1.00 7.90 O ATOM 358 CB ARG A 55 -8.627 49.066 22.704 1.00 7.51 C ATOM 359 CG ARG A 55 -7.454 49.817 23.316 1.00 8.37 C ATOM 360 CD ARG A 55 -7.647 51.323 23.314 1.00 7.60 C ATOM 361 NE ARG A 55 -6.819 51.918 24.357 1.00 8.85 N ATOM 362 CZ ARG A 55 -6.998 53.136 24.856 1.00 10.01 C ATOM 363 NH1 ARG A 55 -7.970 53.913 24.398 1.00 9.74 N ATOM 364 NH2 ARG A 55 -6.237 53.553 25.859 1.00 12.55 N ATOM 0 H ARG A 55 -7.280 46.997 21.754 1.00 8.02 H new ATOM 0 HA ARG A 55 -8.627 47.531 24.063 1.00 7.07 H new ATOM 0 HB2 ARG A 55 -8.598 49.148 21.738 1.00 7.51 H new ATOM 0 HB3 ARG A 55 -9.460 49.468 22.998 1.00 7.51 H new ATOM 0 HG2 ARG A 55 -7.323 49.514 24.228 1.00 8.37 H new ATOM 0 HG3 ARG A 55 -6.646 49.599 22.826 1.00 8.37 H new ATOM 0 HD2 ARG A 55 -7.407 51.689 22.448 1.00 7.60 H new ATOM 0 HD3 ARG A 55 -8.580 51.540 23.465 1.00 7.60 H new ATOM 0 HE ARG A 55 -6.170 51.448 24.670 1.00 8.85 H new ATOM 0 HH11 ARG A 55 -8.489 53.629 23.774 1.00 9.74 H new ATOM 0 HH12 ARG A 55 -8.081 54.701 24.725 1.00 9.74 H new ATOM 0 HH21 ARG A 55 -5.631 53.036 26.183 1.00 12.55 H new ATOM 0 HH22 ARG A 55 -6.349 54.341 26.185 1.00 12.55 H new ATOM 365 N LEU A 56 -10.564 46.228 23.470 1.00 8.10 N ATOM 366 CA LEU A 56 -11.752 45.457 23.126 1.00 8.25 C ATOM 367 C LEU A 56 -13.031 46.180 23.539 1.00 8.53 C ATOM 368 O LEU A 56 -12.997 47.103 24.360 1.00 9.61 O ATOM 369 CB LEU A 56 -11.697 44.082 23.806 1.00 10.72 C ATOM 370 CG LEU A 56 -10.361 43.331 23.723 1.00 10.36 C ATOM 371 CD1 LEU A 56 -9.457 43.726 24.890 1.00 16.26 C ATOM 372 CD2 LEU A 56 -10.618 41.834 23.754 1.00 17.00 C ATOM 0 H LEU A 56 -10.388 46.242 24.312 1.00 8.10 H new ATOM 0 HA LEU A 56 -11.765 45.348 22.162 1.00 8.25 H new ATOM 0 HB2 LEU A 56 -11.923 44.197 24.742 1.00 10.72 H new ATOM 0 HB3 LEU A 56 -12.385 43.522 23.414 1.00 10.72 H new ATOM 0 HG LEU A 56 -9.917 43.566 22.893 1.00 10.36 H new ATOM 0 HD11 LEU A 56 -8.617 43.245 24.826 1.00 16.26 H new ATOM 0 HD12 LEU A 56 -9.286 44.680 24.859 1.00 16.26 H new ATOM 0 HD13 LEU A 56 -9.893 43.504 25.727 1.00 16.26 H new ATOM 0 HD21 LEU A 56 -9.774 41.359 23.702 1.00 17.00 H new ATOM 0 HD22 LEU A 56 -11.069 41.600 24.580 1.00 17.00 H new ATOM 0 HD23 LEU A 56 -11.175 41.585 23.000 1.00 17.00 H new ATOM 373 N GLY A 57 -14.153 45.761 22.958 1.00 8.27 N ATOM 374 CA GLY A 57 -15.440 46.362 23.273 1.00 8.75 C ATOM 375 C GLY A 57 -15.569 47.811 22.842 1.00 9.64 C ATOM 376 O GLY A 57 -16.363 48.571 23.398 1.00 11.59 O ATOM 0 H GLY A 57 -14.187 45.128 22.377 1.00 8.27 H new ATOM 0 HA2 GLY A 57 -16.141 45.844 22.847 1.00 8.75 H new ATOM 0 HA3 GLY A 57 -15.587 46.305 24.230 1.00 8.75 H new ATOM 377 N GLU A 58 -14.798 48.183 21.829 1.00 8.70 N ATOM 378 CA GLU A 58 -14.769 49.544 21.310 1.00 9.96 C ATOM 379 C GLU A 58 -15.775 49.914 20.225 1.00 10.56 C ATOM 380 O GLU A 58 -16.127 49.093 19.380 1.00 10.69 O ATOM 381 CB GLU A 58 -13.375 49.823 20.732 1.00 10.07 C ATOM 382 CG GLU A 58 -12.263 49.974 21.745 1.00 10.04 C ATOM 383 CD GLU A 58 -12.238 51.356 22.325 1.00 10.63 C ATOM 384 OE1 GLU A 58 -13.284 52.018 22.230 1.00 10.38 O ATOM 385 OE2 GLU A 58 -11.201 51.779 22.866 1.00 9.54 O ATOM 0 H GLU A 58 -14.269 47.644 21.417 1.00 8.70 H new ATOM 0 HA GLU A 58 -15.010 50.081 22.081 1.00 9.96 H new ATOM 0 HB2 GLU A 58 -13.143 49.101 20.127 1.00 10.07 H new ATOM 0 HB3 GLU A 58 -13.419 50.634 20.202 1.00 10.07 H new ATOM 0 HG2 GLU A 58 -12.380 49.325 22.456 1.00 10.04 H new ATOM 0 HG3 GLU A 58 -11.411 49.782 21.324 1.00 10.04 H new ATOM 386 N ASP A 59 -16.249 51.157 20.271 1.00 11.82 N ATOM 387 CA ASP A 59 -17.078 51.689 19.200 1.00 9.91 C ATOM 388 C ASP A 59 -16.391 53.015 18.891 1.00 10.50 C ATOM 389 O ASP A 59 -15.578 53.085 17.976 1.00 11.40 O ATOM 390 CB ASP A 59 -18.538 51.924 19.569 1.00 11.83 C ATOM 391 CG ASP A 59 -19.360 52.305 18.349 1.00 13.37 C ATOM 392 OD1 ASP A 59 -19.090 51.731 17.267 1.00 13.02 O ATOM 393 OD2 ASP A 59 -20.256 53.165 18.455 1.00 15.30 O ATOM 0 H ASP A 59 -16.100 51.707 20.915 1.00 11.82 H new ATOM 0 HA ASP A 59 -17.137 51.063 18.462 1.00 9.91 H new ATOM 0 HB2 ASP A 59 -18.905 51.122 19.972 1.00 11.83 H new ATOM 0 HB3 ASP A 59 -18.597 52.628 20.234 1.00 11.83 H new ATOM 394 N ASN A 60 -16.688 54.061 19.658 1.00 10.20 N ATOM 395 CA ASN A 60 -16.010 55.332 19.423 1.00 9.93 C ATOM 396 C ASN A 60 -14.653 55.201 20.097 1.00 9.87 C ATOM 397 O ASN A 60 -14.574 55.214 21.313 1.00 10.55 O ATOM 398 CB ASN A 60 -16.766 56.495 20.060 1.00 11.06 C ATOM 399 CG ASN A 60 -16.147 57.834 19.718 1.00 10.84 C ATOM 400 OD1 ASN A 60 -14.929 58.003 19.792 1.00 12.42 O ATOM 401 ND2 ASN A 60 -16.980 58.793 19.339 1.00 12.74 N ATOM 0 H ASN A 60 -17.260 54.059 20.300 1.00 10.20 H new ATOM 0 HA ASN A 60 -15.947 55.514 18.472 1.00 9.93 H new ATOM 0 HB2 ASN A 60 -17.689 56.481 19.761 1.00 11.06 H new ATOM 0 HB3 ASN A 60 -16.778 56.382 21.023 1.00 11.06 H new ATOM 0 HD21 ASN A 60 -16.675 59.570 19.133 1.00 12.74 H new ATOM 0 HD22 ASN A 60 -17.825 58.638 19.299 1.00 12.74 H new ATOM 402 N ILE A 61 -13.583 55.085 19.321 1.00 9.30 N ATOM 403 CA ILE A 61 -12.261 54.923 19.922 1.00 9.43 C ATOM 404 C ILE A 61 -11.671 56.142 20.633 1.00 9.13 C ATOM 405 O ILE A 61 -10.608 56.040 21.247 1.00 9.36 O ATOM 406 CB ILE A 61 -11.234 54.412 18.889 1.00 10.01 C ATOM 407 CG1 ILE A 61 -11.258 55.287 17.635 1.00 11.00 C ATOM 408 CG2 ILE A 61 -11.524 52.959 18.551 1.00 11.48 C ATOM 409 CD1 ILE A 61 -10.157 54.946 16.639 1.00 13.45 C ATOM 0 H ILE A 61 -13.596 55.097 18.461 1.00 9.30 H new ATOM 0 HA ILE A 61 -12.427 54.270 20.619 1.00 9.43 H new ATOM 0 HB ILE A 61 -10.344 54.466 19.270 1.00 10.01 H new ATOM 0 HG12 ILE A 61 -12.120 55.193 17.199 1.00 11.00 H new ATOM 0 HG13 ILE A 61 -11.172 56.217 17.896 1.00 11.00 H new ATOM 0 HG21 ILE A 61 -10.877 52.642 17.902 1.00 11.48 H new ATOM 0 HG22 ILE A 61 -11.464 52.421 19.356 1.00 11.48 H new ATOM 0 HG23 ILE A 61 -12.417 52.885 18.179 1.00 11.48 H new ATOM 0 HD11 ILE A 61 -10.224 55.532 15.869 1.00 13.45 H new ATOM 0 HD12 ILE A 61 -9.291 55.064 17.060 1.00 13.45 H new ATOM 0 HD13 ILE A 61 -10.253 54.024 16.353 1.00 13.45 H new ATOM 410 N ASN A 62 -12.351 57.285 20.566 1.00 9.26 N ATOM 411 CA ASN A 62 -11.863 58.489 21.238 1.00 8.02 C ATOM 412 C ASN A 62 -12.629 58.817 22.515 1.00 9.38 C ATOM 413 O ASN A 62 -12.298 59.778 23.208 1.00 9.93 O ATOM 414 CB ASN A 62 -11.935 59.702 20.304 1.00 9.00 C ATOM 415 CG ASN A 62 -10.667 59.896 19.508 1.00 9.44 C ATOM 416 OD1 ASN A 62 -9.568 59.668 20.014 1.00 9.43 O ATOM 417 ND2 ASN A 62 -10.805 60.345 18.264 1.00 11.01 N ATOM 0 H ASN A 62 -13.091 57.385 20.140 1.00 9.26 H new ATOM 0 HA ASN A 62 -10.943 58.298 21.479 1.00 8.02 H new ATOM 0 HB2 ASN A 62 -12.682 59.593 19.695 1.00 9.00 H new ATOM 0 HB3 ASN A 62 -12.110 60.500 20.828 1.00 9.00 H new ATOM 0 HD21 ASN A 62 -10.109 60.488 17.779 1.00 11.01 H new ATOM 0 HD22 ASN A 62 -11.590 60.493 17.945 1.00 11.01 H new ATOM 418 N VAL A 63 -13.641 58.017 22.833 1.00 9.82 N ATOM 419 CA VAL A 63 -14.460 58.262 24.018 1.00 10.82 C ATOM 420 C VAL A 63 -14.700 56.990 24.814 1.00 10.62 C ATOM 421 O VAL A 63 -15.100 55.989 24.243 1.00 11.22 O ATOM 422 CB VAL A 63 -15.843 58.815 23.614 1.00 10.39 C ATOM 423 CG1 VAL A 63 -16.708 59.013 24.842 1.00 11.21 C ATOM 424 CG2 VAL A 63 -15.682 60.107 22.835 1.00 10.30 C ATOM 0 H VAL A 63 -13.871 57.326 22.376 1.00 9.82 H new ATOM 0 HA VAL A 63 -13.972 58.901 24.561 1.00 10.82 H new ATOM 0 HB VAL A 63 -16.287 58.173 23.039 1.00 10.39 H new ATOM 0 HG11 VAL A 63 -17.574 59.360 24.576 1.00 11.21 H new ATOM 0 HG12 VAL A 63 -16.826 58.163 25.295 1.00 11.21 H new ATOM 0 HG13 VAL A 63 -16.278 59.642 25.443 1.00 11.21 H new ATOM 0 HG21 VAL A 63 -16.556 60.446 22.586 1.00 10.30 H new ATOM 0 HG22 VAL A 63 -15.226 60.763 23.386 1.00 10.30 H new ATOM 0 HG23 VAL A 63 -15.161 59.940 22.034 1.00 10.30 H new ATOM 425 N VAL A 64 -14.467 57.015 26.123 1.00 11.02 N ATOM 426 CA VAL A 64 -14.728 55.829 26.929 1.00 10.92 C ATOM 427 C VAL A 64 -16.243 55.754 27.109 1.00 11.72 C ATOM 428 O VAL A 64 -16.842 56.592 27.790 1.00 12.91 O ATOM 429 CB VAL A 64 -14.046 55.912 28.307 1.00 10.76 C ATOM 430 CG1 VAL A 64 -14.518 54.766 29.189 1.00 11.81 C ATOM 431 CG2 VAL A 64 -12.536 55.855 28.136 1.00 12.20 C ATOM 0 H VAL A 64 -14.164 57.694 26.556 1.00 11.02 H new ATOM 0 HA VAL A 64 -14.372 55.042 26.487 1.00 10.92 H new ATOM 0 HB VAL A 64 -14.284 56.751 28.732 1.00 10.76 H new ATOM 0 HG11 VAL A 64 -14.085 54.824 30.055 1.00 11.81 H new ATOM 0 HG12 VAL A 64 -15.480 54.821 29.305 1.00 11.81 H new ATOM 0 HG13 VAL A 64 -14.291 53.921 28.771 1.00 11.81 H new ATOM 0 HG21 VAL A 64 -12.109 55.908 29.006 1.00 12.20 H new ATOM 0 HG22 VAL A 64 -12.290 55.021 27.706 1.00 12.20 H new ATOM 0 HG23 VAL A 64 -12.244 56.600 27.588 1.00 12.20 H new ATOM 432 N GLU A 65 -16.859 54.754 26.486 1.00 12.48 N ATOM 433 CA GLU A 65 -18.304 54.594 26.542 1.00 12.82 C ATOM 434 C GLU A 65 -18.833 53.619 27.591 1.00 12.53 C ATOM 435 O GLU A 65 -20.029 53.616 27.882 1.00 15.69 O ATOM 436 CB GLU A 65 -18.826 54.237 25.149 1.00 11.76 C ATOM 437 CG GLU A 65 -18.569 55.353 24.137 1.00 12.78 C ATOM 438 CD GLU A 65 -19.087 55.041 22.746 1.00 15.40 C ATOM 439 OE1 GLU A 65 -18.467 54.220 22.043 1.00 12.60 O ATOM 440 OE2 GLU A 65 -20.121 55.619 22.352 1.00 18.59 O ATOM 0 H GLU A 65 -16.453 54.154 26.023 1.00 12.48 H new ATOM 0 HA GLU A 65 -18.648 55.452 26.837 1.00 12.82 H new ATOM 0 HB2 GLU A 65 -18.400 53.421 24.844 1.00 11.76 H new ATOM 0 HB3 GLU A 65 -19.778 54.059 25.197 1.00 11.76 H new ATOM 0 HG2 GLU A 65 -18.986 56.169 24.454 1.00 12.78 H new ATOM 0 HG3 GLU A 65 -17.615 55.522 24.089 1.00 12.78 H new ATOM 441 N GLY A 66 -17.956 52.793 28.155 1.00 13.61 N ATOM 442 CA GLY A 66 -18.394 51.886 29.201 1.00 13.50 C ATOM 443 C GLY A 66 -18.252 50.388 29.018 1.00 13.93 C ATOM 444 O GLY A 66 -18.350 49.644 29.994 1.00 16.35 O ATOM 0 H GLY A 66 -17.122 52.744 27.950 1.00 13.61 H new ATOM 0 HA2 GLY A 66 -17.913 52.124 30.009 1.00 13.50 H new ATOM 0 HA3 GLY A 66 -19.332 52.068 29.366 1.00 13.50 H new ATOM 445 N ASN A 67 -18.022 49.929 27.794 1.00 13.48 N ATOM 446 CA ASN A 67 -17.895 48.494 27.563 1.00 13.30 C ATOM 447 C ASN A 67 -16.503 48.062 27.120 1.00 13.11 C ATOM 448 O ASN A 67 -16.306 46.926 26.684 1.00 12.80 O ATOM 449 CB ASN A 67 -18.933 48.046 26.532 1.00 15.60 C ATOM 450 CG ASN A 67 -20.351 48.356 26.969 1.00 14.62 C ATOM 451 OD1 ASN A 67 -20.826 47.843 27.982 1.00 18.34 O ATOM 452 ND2 ASN A 67 -21.031 49.209 26.212 1.00 16.46 N ATOM 0 H ASN A 67 -17.937 50.421 27.094 1.00 13.48 H new ATOM 0 HA ASN A 67 -18.052 48.063 28.417 1.00 13.30 H new ATOM 0 HB2 ASN A 67 -18.755 48.485 25.685 1.00 15.60 H new ATOM 0 HB3 ASN A 67 -18.845 47.092 26.381 1.00 15.60 H new ATOM 0 HD21 ASN A 67 -21.837 49.423 26.423 1.00 16.46 H new ATOM 0 HD22 ASN A 67 -20.666 49.547 25.511 1.00 16.46 H new ATOM 453 N GLU A 68 -15.533 48.960 27.258 1.00 12.07 N ATOM 454 CA GLU A 68 -14.166 48.666 26.847 1.00 11.10 C ATOM 455 C GLU A 68 -13.346 47.866 27.841 1.00 11.16 C ATOM 456 O GLU A 68 -13.629 47.820 29.039 1.00 11.68 O ATOM 457 CB GLU A 68 -13.386 49.955 26.551 1.00 10.87 C ATOM 458 CG GLU A 68 -14.031 50.871 25.544 1.00 11.78 C ATOM 459 CD GLU A 68 -14.900 51.921 26.191 1.00 10.15 C ATOM 460 OE1 GLU A 68 -15.369 51.714 27.327 1.00 11.10 O ATOM 461 OE2 GLU A 68 -15.127 52.958 25.552 1.00 10.65 O ATOM 0 H GLU A 68 -15.646 49.746 27.588 1.00 12.07 H new ATOM 0 HA GLU A 68 -14.284 48.119 26.055 1.00 11.10 H new ATOM 0 HB2 GLU A 68 -13.266 50.442 27.381 1.00 10.87 H new ATOM 0 HB3 GLU A 68 -12.502 49.716 26.231 1.00 10.87 H new ATOM 0 HG2 GLU A 68 -13.341 51.305 25.018 1.00 11.78 H new ATOM 0 HG3 GLU A 68 -14.567 50.345 24.930 1.00 11.78 H new ATOM 462 N GLN A 69 -12.318 47.230 27.296 1.00 11.56 N ATOM 463 CA GLN A 69 -11.351 46.468 28.061 1.00 10.62 C ATOM 464 C GLN A 69 -10.021 46.807 27.402 1.00 10.01 C ATOM 465 O GLN A 69 -9.839 46.586 26.201 1.00 9.62 O ATOM 466 CB GLN A 69 -11.626 44.962 27.985 1.00 11.92 C ATOM 467 CG GLN A 69 -12.771 44.509 28.884 1.00 11.12 C ATOM 468 CD GLN A 69 -12.978 43.006 28.872 1.00 12.87 C ATOM 469 OE1 GLN A 69 -12.066 42.239 29.183 1.00 13.47 O ATOM 470 NE2 GLN A 69 -14.185 42.579 28.517 1.00 12.36 N ATOM 0 H GLN A 69 -12.162 47.231 26.450 1.00 11.56 H new ATOM 0 HA GLN A 69 -11.376 46.687 29.006 1.00 10.62 H new ATOM 0 HB2 GLN A 69 -11.830 44.723 27.067 1.00 11.92 H new ATOM 0 HB3 GLN A 69 -10.821 44.480 28.231 1.00 11.92 H new ATOM 0 HG2 GLN A 69 -12.595 44.799 29.793 1.00 11.12 H new ATOM 0 HG3 GLN A 69 -13.590 44.945 28.600 1.00 11.12 H new ATOM 0 HE21 GLN A 69 -14.797 43.146 28.306 1.00 12.36 H new ATOM 0 HE22 GLN A 69 -14.355 41.736 28.498 1.00 12.36 H new ATOM 471 N PHE A 70 -9.118 47.392 28.180 1.00 10.27 N ATOM 472 CA PHE A 70 -7.797 47.774 27.695 1.00 10.42 C ATOM 473 C PHE A 70 -6.815 46.786 28.309 1.00 10.94 C ATOM 474 O PHE A 70 -6.652 46.749 29.530 1.00 12.61 O ATOM 475 CB PHE A 70 -7.453 49.195 28.157 1.00 9.80 C ATOM 476 CG PHE A 70 -8.387 50.259 27.635 1.00 10.71 C ATOM 477 CD1 PHE A 70 -8.451 51.493 28.264 1.00 11.86 C ATOM 478 CD2 PHE A 70 -9.179 50.040 26.516 1.00 10.00 C ATOM 479 CE1 PHE A 70 -9.286 52.493 27.793 1.00 11.84 C ATOM 480 CE2 PHE A 70 -10.019 51.038 26.036 1.00 11.87 C ATOM 481 CZ PHE A 70 -10.073 52.265 26.676 1.00 12.20 C ATOM 0 H PHE A 70 -9.255 47.580 29.008 1.00 10.27 H new ATOM 0 HA PHE A 70 -7.763 47.759 26.726 1.00 10.42 H new ATOM 0 HB2 PHE A 70 -7.461 49.220 29.127 1.00 9.80 H new ATOM 0 HB3 PHE A 70 -6.549 49.406 27.875 1.00 9.80 H new ATOM 0 HD1 PHE A 70 -7.925 51.652 29.014 1.00 11.86 H new ATOM 0 HD2 PHE A 70 -9.147 49.217 26.083 1.00 10.00 H new ATOM 0 HE1 PHE A 70 -9.318 53.316 28.226 1.00 11.84 H new ATOM 0 HE2 PHE A 70 -10.545 50.882 25.285 1.00 11.87 H new ATOM 0 HZ PHE A 70 -10.636 52.933 26.357 1.00 12.20 H new ATOM 482 N ILE A 71 -6.162 45.988 27.470 1.00 11.21 N ATOM 483 CA ILE A 71 -5.219 44.990 27.960 1.00 11.26 C ATOM 484 C ILE A 71 -3.918 45.027 27.170 1.00 11.16 C ATOM 485 O ILE A 71 -3.928 44.950 25.938 1.00 10.81 O ATOM 486 CB ILE A 71 -5.823 43.572 27.853 1.00 11.45 C ATOM 487 CG1 ILE A 71 -7.177 43.525 28.567 1.00 12.45 C ATOM 488 CG2 ILE A 71 -4.875 42.555 28.465 1.00 12.58 C ATOM 489 CD1 ILE A 71 -7.946 42.228 28.363 1.00 13.50 C ATOM 0 H ILE A 71 -6.251 46.009 26.615 1.00 11.21 H new ATOM 0 HA ILE A 71 -5.035 45.200 28.889 1.00 11.26 H new ATOM 0 HB ILE A 71 -5.954 43.355 26.917 1.00 11.45 H new ATOM 0 HG12 ILE A 71 -7.035 43.659 29.517 1.00 12.45 H new ATOM 0 HG13 ILE A 71 -7.722 44.264 28.255 1.00 12.45 H new ATOM 0 HG21 ILE A 71 -5.262 41.668 28.394 1.00 12.58 H new ATOM 0 HG22 ILE A 71 -4.028 42.577 27.993 1.00 12.58 H new ATOM 0 HG23 ILE A 71 -4.729 42.770 29.400 1.00 12.58 H new ATOM 0 HD11 ILE A 71 -8.788 42.272 28.842 1.00 13.50 H new ATOM 0 HD12 ILE A 71 -8.119 42.099 27.417 1.00 13.50 H new ATOM 0 HD13 ILE A 71 -7.422 41.484 28.699 1.00 13.50 H new ATOM 490 N SER A 72 -2.799 45.146 27.877 1.00 11.15 N ATOM 491 CA SER A 72 -1.498 45.191 27.230 1.00 12.14 C ATOM 492 C SER A 72 -1.139 43.829 26.658 1.00 12.21 C ATOM 493 O SER A 72 -1.525 42.798 27.203 1.00 13.27 O ATOM 494 CB SER A 72 -0.416 45.606 28.232 1.00 13.86 C ATOM 495 OG SER A 72 -0.658 46.901 28.752 1.00 17.54 O ATOM 0 H SER A 72 -2.774 45.202 28.735 1.00 11.15 H new ATOM 0 HA SER A 72 -1.545 45.842 26.513 1.00 12.14 H new ATOM 0 HB2 SER A 72 -0.384 44.965 28.959 1.00 13.86 H new ATOM 0 HB3 SER A 72 0.452 45.587 27.799 1.00 13.86 H new ATOM 0 HG SER A 72 -1.455 46.955 29.011 1.00 17.54 H new ATOM 496 N ALA A 73 -0.402 43.835 25.554 1.00 12.37 N ATOM 497 CA ALA A 73 0.042 42.598 24.932 1.00 11.70 C ATOM 498 C ALA A 73 1.269 42.117 25.703 1.00 12.38 C ATOM 499 O ALA A 73 2.099 42.923 26.126 1.00 13.42 O ATOM 500 CB ALA A 73 0.399 42.846 23.472 1.00 13.99 C ATOM 0 H ALA A 73 -0.148 44.550 25.148 1.00 12.37 H new ATOM 0 HA ALA A 73 -0.660 41.929 24.957 1.00 11.70 H new ATOM 0 HB1 ALA A 73 0.694 42.016 23.065 1.00 13.99 H new ATOM 0 HB2 ALA A 73 -0.381 43.178 23.000 1.00 13.99 H new ATOM 0 HB3 ALA A 73 1.111 43.502 23.420 1.00 13.99 H new ATOM 501 N SER A 74 1.377 40.809 25.900 1.00 11.55 N ATOM 502 CA SER A 74 2.517 40.251 26.615 1.00 12.64 C ATOM 503 C SER A 74 3.539 39.696 25.631 1.00 12.50 C ATOM 504 O SER A 74 4.725 39.598 25.941 1.00 12.29 O ATOM 505 CB SER A 74 2.056 39.144 27.566 1.00 13.28 C ATOM 506 OG SER A 74 1.383 38.115 26.864 1.00 14.88 O ATOM 0 H SER A 74 0.803 40.229 25.629 1.00 11.55 H new ATOM 0 HA SER A 74 2.932 40.959 27.133 1.00 12.64 H new ATOM 0 HB2 SER A 74 2.822 38.774 28.032 1.00 13.28 H new ATOM 0 HB3 SER A 74 1.467 39.518 28.241 1.00 13.28 H new ATOM 0 HG SER A 74 0.787 38.451 26.377 1.00 14.88 H new ATOM 507 N LYS A 75 3.071 39.350 24.436 1.00 12.08 N ATOM 508 CA LYS A 75 3.939 38.803 23.402 1.00 12.93 C ATOM 509 C LYS A 75 3.289 38.937 22.031 1.00 12.25 C ATOM 510 O LYS A 75 2.064 38.912 21.905 1.00 12.89 O ATOM 511 CB LYS A 75 4.239 37.322 23.686 1.00 15.79 C ATOM 512 CG LYS A 75 5.079 36.640 22.611 1.00 20.36 C ATOM 513 CD LYS A 75 5.154 35.119 22.787 1.00 22.86 C ATOM 514 CE LYS A 75 6.102 34.699 23.903 1.00 24.35 C ATOM 515 NZ LYS A 75 6.193 33.212 24.040 1.00 24.88 N ATOM 0 H LYS A 75 2.246 39.425 24.204 1.00 12.08 H new ATOM 0 HA LYS A 75 4.769 39.304 23.408 1.00 12.93 H new ATOM 0 HB2 LYS A 75 4.701 37.253 24.536 1.00 15.79 H new ATOM 0 HB3 LYS A 75 3.400 36.844 23.779 1.00 15.79 H new ATOM 0 HG2 LYS A 75 4.705 36.842 21.739 1.00 20.36 H new ATOM 0 HG3 LYS A 75 5.977 37.007 22.627 1.00 20.36 H new ATOM 0 HD2 LYS A 75 4.267 34.775 22.976 1.00 22.86 H new ATOM 0 HD3 LYS A 75 5.443 34.715 21.954 1.00 22.86 H new ATOM 0 HE2 LYS A 75 6.985 35.060 23.728 1.00 24.35 H new ATOM 0 HE3 LYS A 75 5.800 35.081 24.742 1.00 24.35 H new ATOM 0 HZ1 LYS A 75 5.773 32.956 24.782 1.00 24.88 H new ATOM 0 HZ2 LYS A 75 5.812 32.825 23.335 1.00 24.88 H new ATOM 0 HZ3 LYS A 75 7.048 32.970 24.085 1.00 24.88 H new ATOM 516 N SER A 76 4.123 39.099 21.012 1.00 10.79 N ATOM 517 CA SER A 76 3.660 39.199 19.636 1.00 11.76 C ATOM 518 C SER A 76 4.443 38.176 18.836 1.00 11.27 C ATOM 519 O SER A 76 5.640 37.990 19.057 1.00 11.63 O ATOM 520 CB SER A 76 3.905 40.601 19.071 1.00 14.08 C ATOM 521 OG SER A 76 3.001 41.540 19.627 1.00 18.79 O ATOM 0 H SER A 76 4.977 39.154 21.100 1.00 10.79 H new ATOM 0 HA SER A 76 2.705 39.034 19.589 1.00 11.76 H new ATOM 0 HB2 SER A 76 4.816 40.874 19.260 1.00 14.08 H new ATOM 0 HB3 SER A 76 3.807 40.586 18.106 1.00 14.08 H new ATOM 0 HG SER A 76 3.427 42.109 20.074 1.00 18.79 H new ATOM 522 N ILE A 77 3.765 37.507 17.914 1.00 9.78 N ATOM 523 CA ILE A 77 4.418 36.508 17.085 1.00 9.17 C ATOM 524 C ILE A 77 4.069 36.727 15.629 1.00 8.43 C ATOM 525 O ILE A 77 2.951 36.454 15.198 1.00 7.47 O ATOM 526 CB ILE A 77 4.001 35.076 17.488 1.00 8.80 C ATOM 527 CG1 ILE A 77 4.396 34.812 18.941 1.00 10.04 C ATOM 528 CG2 ILE A 77 4.667 34.051 16.569 1.00 8.97 C ATOM 529 CD1 ILE A 77 3.856 33.506 19.492 1.00 12.37 C ATOM 0 H ILE A 77 2.927 37.617 17.753 1.00 9.78 H new ATOM 0 HA ILE A 77 5.374 36.603 17.217 1.00 9.17 H new ATOM 0 HB ILE A 77 3.039 34.992 17.399 1.00 8.80 H new ATOM 0 HG12 ILE A 77 5.364 34.807 19.009 1.00 10.04 H new ATOM 0 HG13 ILE A 77 4.077 35.543 19.493 1.00 10.04 H new ATOM 0 HG21 ILE A 77 4.398 33.157 16.832 1.00 8.97 H new ATOM 0 HG22 ILE A 77 4.395 34.214 15.652 1.00 8.97 H new ATOM 0 HG23 ILE A 77 5.631 34.131 16.639 1.00 8.97 H new ATOM 0 HD11 ILE A 77 4.142 33.400 20.413 1.00 12.37 H new ATOM 0 HD12 ILE A 77 2.887 33.514 19.453 1.00 12.37 H new ATOM 0 HD13 ILE A 77 4.194 32.767 18.962 1.00 12.37 H new ATOM 530 N VAL A 78 5.035 37.242 14.880 1.00 8.79 N ATOM 531 CA VAL A 78 4.856 37.477 13.454 1.00 8.38 C ATOM 532 C VAL A 78 5.103 36.151 12.743 1.00 8.50 C ATOM 533 O VAL A 78 5.963 35.369 13.154 1.00 8.69 O ATOM 534 CB VAL A 78 5.851 38.539 12.947 1.00 8.66 C ATOM 535 CG1 VAL A 78 5.820 38.613 11.437 1.00 9.95 C ATOM 536 CG2 VAL A 78 5.508 39.896 13.550 1.00 10.12 C ATOM 0 H VAL A 78 5.809 37.464 15.182 1.00 8.79 H new ATOM 0 HA VAL A 78 3.961 37.806 13.277 1.00 8.38 H new ATOM 0 HB VAL A 78 6.747 38.288 13.222 1.00 8.66 H new ATOM 0 HG11 VAL A 78 6.450 39.285 11.133 1.00 9.95 H new ATOM 0 HG12 VAL A 78 6.063 37.750 11.066 1.00 9.95 H new ATOM 0 HG13 VAL A 78 4.927 38.851 11.143 1.00 9.95 H new ATOM 0 HG21 VAL A 78 6.136 40.561 13.229 1.00 10.12 H new ATOM 0 HG22 VAL A 78 4.609 40.148 13.289 1.00 10.12 H new ATOM 0 HG23 VAL A 78 5.560 39.843 14.517 1.00 10.12 H new ATOM 537 N HIS A 79 4.339 35.883 11.689 1.00 8.30 N ATOM 538 CA HIS A 79 4.509 34.631 10.965 1.00 8.34 C ATOM 539 C HIS A 79 5.965 34.463 10.540 1.00 8.83 C ATOM 540 O HIS A 79 6.583 35.393 10.029 1.00 8.07 O ATOM 541 CB HIS A 79 3.593 34.590 9.745 1.00 8.27 C ATOM 542 CG HIS A 79 3.475 33.230 9.143 1.00 8.64 C ATOM 543 ND1 HIS A 79 4.436 32.697 8.309 1.00 8.87 N ATOM 544 CD2 HIS A 79 2.547 32.261 9.317 1.00 9.09 C ATOM 545 CE1 HIS A 79 4.103 31.458 7.998 1.00 9.76 C ATOM 546 NE2 HIS A 79 2.961 31.169 8.597 1.00 10.54 N ATOM 0 H HIS A 79 3.727 36.403 11.382 1.00 8.30 H new ATOM 0 HA HIS A 79 4.269 33.898 11.554 1.00 8.34 H new ATOM 0 HB2 HIS A 79 2.711 34.902 10.000 1.00 8.27 H new ATOM 0 HB3 HIS A 79 3.929 35.206 9.075 1.00 8.27 H new ATOM 0 HD2 HIS A 79 1.773 32.323 9.829 1.00 9.09 H new ATOM 0 HE1 HIS A 79 4.590 30.885 7.450 1.00 9.76 H new ATOM 0 HE2 HIS A 79 2.545 30.418 8.544 1.00 10.54 H new ATOM 547 N PRO A 80 6.526 33.261 10.736 1.00 8.75 N ATOM 548 CA PRO A 80 7.922 33.016 10.365 1.00 8.85 C ATOM 549 C PRO A 80 8.276 33.326 8.917 1.00 9.05 C ATOM 550 O PRO A 80 9.410 33.705 8.627 1.00 10.61 O ATOM 551 CB PRO A 80 8.119 31.538 10.713 1.00 9.85 C ATOM 552 CG PRO A 80 6.739 30.962 10.552 1.00 11.54 C ATOM 553 CD PRO A 80 5.878 32.020 11.194 1.00 10.19 C ATOM 0 HA PRO A 80 8.519 33.616 10.840 1.00 8.85 H new ATOM 0 HB2 PRO A 80 8.757 31.112 10.119 1.00 9.85 H new ATOM 0 HB3 PRO A 80 8.452 31.424 11.617 1.00 9.85 H new ATOM 0 HG2 PRO A 80 6.510 30.825 9.620 1.00 11.54 H new ATOM 0 HG3 PRO A 80 6.650 30.104 10.995 1.00 11.54 H new ATOM 0 HD2 PRO A 80 4.955 31.963 10.902 1.00 10.19 H new ATOM 0 HD3 PRO A 80 5.875 31.948 12.161 1.00 10.19 H new ATOM 554 N SER A 81 7.312 33.179 8.014 1.00 8.68 N ATOM 555 CA SER A 81 7.556 33.422 6.596 1.00 8.73 C ATOM 556 C SER A 81 7.103 34.783 6.081 1.00 7.60 C ATOM 557 O SER A 81 7.103 35.018 4.872 1.00 8.52 O ATOM 558 CB SER A 81 6.896 32.319 5.766 1.00 10.43 C ATOM 559 OG SER A 81 7.411 31.049 6.126 1.00 13.08 O ATOM 0 H SER A 81 6.508 32.939 8.202 1.00 8.68 H new ATOM 0 HA SER A 81 8.521 33.416 6.498 1.00 8.73 H new ATOM 0 HB2 SER A 81 5.936 32.335 5.903 1.00 10.43 H new ATOM 0 HB3 SER A 81 7.051 32.481 4.822 1.00 10.43 H new ATOM 0 HG SER A 81 7.513 30.582 5.435 1.00 13.08 H new ATOM 560 N TYR A 82 6.714 35.677 6.985 1.00 6.58 N ATOM 561 CA TYR A 82 6.281 37.007 6.573 1.00 6.92 C ATOM 562 C TYR A 82 7.370 37.731 5.784 1.00 7.36 C ATOM 563 O TYR A 82 8.522 37.803 6.214 1.00 8.36 O ATOM 564 CB TYR A 82 5.894 37.856 7.792 1.00 7.03 C ATOM 565 CG TYR A 82 5.632 39.311 7.458 1.00 7.50 C ATOM 566 CD1 TYR A 82 6.363 40.323 8.068 1.00 7.71 C ATOM 567 CD2 TYR A 82 4.649 39.674 6.542 1.00 7.96 C ATOM 568 CE1 TYR A 82 6.122 41.653 7.779 1.00 7.75 C ATOM 569 CE2 TYR A 82 4.404 41.003 6.245 1.00 8.08 C ATOM 570 CZ TYR A 82 5.141 41.986 6.867 1.00 6.99 C ATOM 571 OH TYR A 82 4.888 43.310 6.574 1.00 9.16 O ATOM 0 H TYR A 82 6.693 35.535 7.833 1.00 6.58 H new ATOM 0 HA TYR A 82 5.507 36.890 6.001 1.00 6.92 H new ATOM 0 HB2 TYR A 82 5.100 37.478 8.202 1.00 7.03 H new ATOM 0 HB3 TYR A 82 6.604 37.806 8.451 1.00 7.03 H new ATOM 0 HD1 TYR A 82 7.026 40.102 8.681 1.00 7.71 H new ATOM 0 HD2 TYR A 82 4.148 39.012 6.122 1.00 7.96 H new ATOM 0 HE1 TYR A 82 6.618 42.320 8.197 1.00 7.75 H new ATOM 0 HE2 TYR A 82 3.746 41.231 5.629 1.00 8.08 H new ATOM 0 HH TYR A 82 5.374 43.801 7.052 1.00 9.16 H new ATOM 572 N ASN A 83 7.005 38.248 4.617 1.00 7.78 N ATOM 573 CA ASN A 83 7.935 38.994 3.782 1.00 8.46 C ATOM 574 C ASN A 83 7.371 40.406 3.705 1.00 9.29 C ATOM 575 O ASN A 83 6.334 40.626 3.090 1.00 10.11 O ATOM 576 CB ASN A 83 8.016 38.381 2.381 1.00 9.54 C ATOM 577 CG ASN A 83 9.010 39.104 1.493 1.00 11.58 C ATOM 578 OD1 ASN A 83 8.932 40.318 1.320 1.00 11.45 O ATOM 579 ND2 ASN A 83 9.951 38.360 0.926 1.00 14.53 N ATOM 0 H ASN A 83 6.214 38.176 4.288 1.00 7.78 H new ATOM 0 HA ASN A 83 8.833 38.980 4.150 1.00 8.46 H new ATOM 0 HB2 ASN A 83 8.269 37.447 2.453 1.00 9.54 H new ATOM 0 HB3 ASN A 83 7.139 38.406 1.968 1.00 9.54 H new ATOM 0 HD21 ASN A 83 10.538 38.725 0.414 1.00 14.53 H new ATOM 0 HD22 ASN A 83 9.974 37.513 1.070 1.00 14.53 H new ATOM 580 N SER A 84 8.053 41.358 4.332 1.00 8.52 N ATOM 581 CA SER A 84 7.575 42.736 4.352 1.00 9.81 C ATOM 582 C SER A 84 7.594 43.445 3.002 1.00 10.52 C ATOM 583 O SER A 84 6.872 44.420 2.814 1.00 13.14 O ATOM 584 CB SER A 84 8.359 43.558 5.383 1.00 11.52 C ATOM 585 OG SER A 84 9.743 43.563 5.090 1.00 12.16 O ATOM 0 H SER A 84 8.793 41.228 4.751 1.00 8.52 H new ATOM 0 HA SER A 84 6.640 42.674 4.601 1.00 9.81 H new ATOM 0 HB2 SER A 84 8.025 44.469 5.395 1.00 11.52 H new ATOM 0 HB3 SER A 84 8.215 43.191 6.269 1.00 11.52 H new ATOM 0 HG SER A 84 9.930 44.240 4.629 1.00 12.16 H new ATOM 586 N ASN A 85 8.409 42.965 2.065 1.00 9.42 N ATOM 587 CA ASN A 85 8.471 43.590 0.744 1.00 11.27 C ATOM 588 C ASN A 85 7.217 43.299 -0.082 1.00 10.37 C ATOM 589 O ASN A 85 6.682 44.185 -0.751 1.00 13.11 O ATOM 590 CB ASN A 85 9.691 43.093 -0.047 1.00 11.48 C ATOM 591 CG ASN A 85 10.970 43.850 0.285 1.00 15.18 C ATOM 592 OD1 ASN A 85 11.971 43.730 -0.426 1.00 19.74 O ATOM 593 ND2 ASN A 85 10.946 44.628 1.357 1.00 14.65 N ATOM 0 H ASN A 85 8.928 42.287 2.171 1.00 9.42 H new ATOM 0 HA ASN A 85 8.540 44.545 0.898 1.00 11.27 H new ATOM 0 HB2 ASN A 85 9.824 42.149 0.134 1.00 11.48 H new ATOM 0 HB3 ASN A 85 9.510 43.177 -0.996 1.00 11.48 H new ATOM 0 HD21 ASN A 85 11.647 45.074 1.580 1.00 14.65 H new ATOM 0 HD22 ASN A 85 10.230 44.687 1.829 1.00 14.65 H new ATOM 594 N THR A 86 6.749 42.056 -0.018 1.00 9.94 N ATOM 595 CA THR A 86 5.592 41.611 -0.793 1.00 9.47 C ATOM 596 C THR A 86 4.319 41.430 0.022 1.00 8.24 C ATOM 597 O THR A 86 3.233 41.284 -0.541 1.00 9.30 O ATOM 598 CB THR A 86 5.884 40.258 -1.455 1.00 8.77 C ATOM 599 OG1 THR A 86 6.058 39.266 -0.434 1.00 10.72 O ATOM 600 CG2 THR A 86 7.151 40.333 -2.293 1.00 10.42 C ATOM 0 H THR A 86 7.094 41.444 0.478 1.00 9.94 H new ATOM 0 HA THR A 86 5.444 42.320 -1.438 1.00 9.47 H new ATOM 0 HB THR A 86 5.140 40.025 -2.032 1.00 8.77 H new ATOM 0 HG1 THR A 86 6.569 38.661 -0.715 1.00 10.72 H new ATOM 0 HG21 THR A 86 7.320 39.470 -2.703 1.00 10.42 H new ATOM 0 HG22 THR A 86 7.042 41.004 -2.985 1.00 10.42 H new ATOM 0 HG23 THR A 86 7.901 40.573 -1.726 1.00 10.42 H new ATOM 601 N LEU A 87 4.468 41.427 1.342 1.00 8.93 N ATOM 602 CA LEU A 87 3.363 41.225 2.272 1.00 8.91 C ATOM 603 C LEU A 87 2.814 39.800 2.233 1.00 8.58 C ATOM 604 O LEU A 87 1.699 39.542 2.674 1.00 8.27 O ATOM 605 CB LEU A 87 2.239 42.236 2.024 1.00 10.33 C ATOM 606 CG LEU A 87 2.595 43.685 2.358 1.00 12.47 C ATOM 607 CD1 LEU A 87 1.314 44.484 2.504 1.00 14.00 C ATOM 608 CD2 LEU A 87 3.392 43.744 3.652 1.00 13.43 C ATOM 0 H LEU A 87 5.227 41.544 1.729 1.00 8.93 H new ATOM 0 HA LEU A 87 3.724 41.370 3.161 1.00 8.91 H new ATOM 0 HB2 LEU A 87 1.977 42.187 1.091 1.00 10.33 H new ATOM 0 HB3 LEU A 87 1.466 41.977 2.550 1.00 10.33 H new ATOM 0 HG LEU A 87 3.136 44.059 1.645 1.00 12.47 H new ATOM 0 HD11 LEU A 87 1.530 45.406 2.716 1.00 14.00 H new ATOM 0 HD12 LEU A 87 0.816 44.452 1.672 1.00 14.00 H new ATOM 0 HD13 LEU A 87 0.776 44.106 3.217 1.00 14.00 H new ATOM 0 HD21 LEU A 87 3.613 44.667 3.855 1.00 13.43 H new ATOM 0 HD22 LEU A 87 2.863 43.372 4.375 1.00 13.43 H new ATOM 0 HD23 LEU A 87 4.209 43.231 3.553 1.00 13.43 H new ATOM 609 N ASN A 88 3.600 38.873 1.699 1.00 8.31 N ATOM 610 CA ASN A 88 3.181 37.479 1.672 1.00 6.80 C ATOM 611 C ASN A 88 3.248 36.985 3.122 1.00 7.26 C ATOM 612 O ASN A 88 4.222 37.257 3.837 1.00 7.15 O ATOM 613 CB ASN A 88 4.110 36.661 0.767 1.00 7.95 C ATOM 614 CG ASN A 88 3.618 35.238 0.550 1.00 8.02 C ATOM 615 OD1 ASN A 88 2.415 34.969 0.575 1.00 8.91 O ATOM 616 ND2 ASN A 88 4.551 34.323 0.315 1.00 10.30 N ATOM 0 H ASN A 88 4.371 39.028 1.351 1.00 8.31 H new ATOM 0 HA ASN A 88 2.285 37.382 1.314 1.00 6.80 H new ATOM 0 HB2 ASN A 88 4.192 37.105 -0.092 1.00 7.95 H new ATOM 0 HB3 ASN A 88 4.997 36.636 1.159 1.00 7.95 H new ATOM 0 HD21 ASN A 88 4.325 33.505 0.172 1.00 10.30 H new ATOM 0 HD22 ASN A 88 5.381 34.548 0.305 1.00 10.30 H new ATOM 617 N ASN A 89 2.208 36.273 3.548 1.00 7.21 N ATOM 618 CA ASN A 89 2.100 35.757 4.918 1.00 6.84 C ATOM 619 C ASN A 89 1.943 36.914 5.906 1.00 6.56 C ATOM 620 O ASN A 89 2.583 36.937 6.960 1.00 6.69 O ATOM 621 CB ASN A 89 3.337 34.933 5.301 1.00 8.23 C ATOM 622 CG ASN A 89 3.610 33.798 4.335 1.00 8.08 C ATOM 623 OD1 ASN A 89 4.612 33.810 3.617 1.00 11.88 O ATOM 624 ND2 ASN A 89 2.722 32.817 4.308 1.00 6.64 N ATOM 0 H ASN A 89 1.538 36.072 3.048 1.00 7.21 H new ATOM 0 HA ASN A 89 1.319 35.183 4.956 1.00 6.84 H new ATOM 0 HB2 ASN A 89 4.111 35.516 5.335 1.00 8.23 H new ATOM 0 HB3 ASN A 89 3.216 34.571 6.193 1.00 8.23 H new ATOM 0 HD21 ASN A 89 2.832 32.152 3.774 1.00 6.64 H new ATOM 0 HD22 ASN A 89 2.035 32.844 4.825 1.00 6.64 H new ATOM 625 N ASP A 90 1.076 37.861 5.565 1.00 6.81 N ATOM 626 CA ASP A 90 0.842 39.035 6.404 1.00 7.23 C ATOM 627 C ASP A 90 -0.107 38.712 7.559 1.00 6.85 C ATOM 628 O ASP A 90 -1.279 39.096 7.561 1.00 7.40 O ATOM 629 CB ASP A 90 0.275 40.169 5.543 1.00 7.02 C ATOM 630 CG ASP A 90 0.307 41.513 6.247 1.00 7.73 C ATOM 631 OD1 ASP A 90 0.918 41.609 7.332 1.00 7.75 O ATOM 632 OD2 ASP A 90 -0.268 42.480 5.705 1.00 8.29 O ATOM 0 H ASP A 90 0.608 37.843 4.844 1.00 6.81 H new ATOM 0 HA ASP A 90 1.687 39.314 6.791 1.00 7.23 H new ATOM 0 HB2 ASP A 90 0.782 40.228 4.718 1.00 7.02 H new ATOM 0 HB3 ASP A 90 -0.640 39.958 5.299 1.00 7.02 H new ATOM 633 N ILE A 91 0.421 38.010 8.553 1.00 6.29 N ATOM 634 CA ILE A 91 -0.375 37.619 9.704 1.00 6.95 C ATOM 635 C ILE A 91 0.504 37.561 10.950 1.00 6.29 C ATOM 636 O ILE A 91 1.693 37.223 10.877 1.00 6.57 O ATOM 637 CB ILE A 91 -1.056 36.244 9.438 1.00 7.47 C ATOM 638 CG1 ILE A 91 -1.982 35.870 10.595 1.00 9.19 C ATOM 639 CG2 ILE A 91 -0.001 35.167 9.210 1.00 8.43 C ATOM 640 CD1 ILE A 91 -2.845 34.650 10.304 1.00 9.85 C ATOM 0 H ILE A 91 1.240 37.750 8.579 1.00 6.29 H new ATOM 0 HA ILE A 91 -1.070 38.279 9.852 1.00 6.95 H new ATOM 0 HB ILE A 91 -1.596 36.314 8.635 1.00 7.47 H new ATOM 0 HG12 ILE A 91 -1.448 35.699 11.387 1.00 9.19 H new ATOM 0 HG13 ILE A 91 -2.557 36.624 10.798 1.00 9.19 H new ATOM 0 HG21 ILE A 91 -0.437 34.316 9.046 1.00 8.43 H new ATOM 0 HG22 ILE A 91 0.543 35.404 8.443 1.00 8.43 H new ATOM 0 HG23 ILE A 91 0.563 35.094 9.996 1.00 8.43 H new ATOM 0 HD11 ILE A 91 -3.409 34.462 11.071 1.00 9.85 H new ATOM 0 HD12 ILE A 91 -3.402 34.824 9.529 1.00 9.85 H new ATOM 0 HD13 ILE A 91 -2.275 33.885 10.127 1.00 9.85 H new ATOM 641 N MET A 92 -0.084 37.926 12.086 1.00 6.82 N ATOM 642 CA MET A 92 0.623 37.921 13.358 1.00 8.51 C ATOM 643 C MET A 92 -0.353 37.607 14.486 1.00 7.86 C ATOM 644 O MET A 92 -1.553 37.873 14.383 1.00 8.27 O ATOM 645 CB MET A 92 1.276 39.288 13.606 1.00 10.96 C ATOM 646 CG MET A 92 1.913 39.468 14.981 1.00 14.81 C ATOM 647 SD MET A 92 2.463 41.173 15.247 1.00 22.43 S ATOM 648 CE MET A 92 1.269 41.995 14.427 1.00 3.42 C ATOM 0 H MET A 92 -0.903 38.183 12.139 1.00 6.82 H new ATOM 0 HA MET A 92 1.315 37.242 13.331 1.00 8.51 H new ATOM 0 HB2 MET A 92 1.956 39.432 12.930 1.00 10.96 H new ATOM 0 HB3 MET A 92 0.604 39.977 13.484 1.00 10.96 H new ATOM 0 HG2 MET A 92 1.274 39.223 15.668 1.00 14.81 H new ATOM 0 HG3 MET A 92 2.669 38.866 15.069 1.00 14.81 H new ATOM 0 HE1 MET A 92 1.282 42.930 14.687 1.00 3.42 H new ATOM 0 HE2 MET A 92 1.423 41.923 13.472 1.00 3.42 H new ATOM 0 HE3 MET A 92 0.405 41.612 14.644 1.00 3.42 H new ATOM 649 N LEU A 93 0.172 37.022 15.555 1.00 7.12 N ATOM 650 CA LEU A 93 -0.627 36.700 16.731 1.00 6.85 C ATOM 651 C LEU A 93 -0.167 37.579 17.888 1.00 7.80 C ATOM 652 O LEU A 93 1.024 37.857 18.033 1.00 8.53 O ATOM 653 CB LEU A 93 -0.466 35.227 17.104 1.00 8.16 C ATOM 654 CG LEU A 93 -1.213 34.244 16.204 1.00 9.30 C ATOM 655 CD1 LEU A 93 -0.618 32.855 16.349 1.00 9.83 C ATOM 656 CD2 LEU A 93 -2.693 34.256 16.565 1.00 12.03 C ATOM 0 H LEU A 93 1.000 36.800 15.620 1.00 7.12 H new ATOM 0 HA LEU A 93 -1.564 36.863 16.538 1.00 6.85 H new ATOM 0 HB2 LEU A 93 0.478 35.005 17.088 1.00 8.16 H new ATOM 0 HB3 LEU A 93 -0.771 35.104 18.017 1.00 8.16 H new ATOM 0 HG LEU A 93 -1.122 34.510 15.276 1.00 9.30 H new ATOM 0 HD11 LEU A 93 -1.097 32.236 15.775 1.00 9.83 H new ATOM 0 HD12 LEU A 93 0.317 32.875 16.093 1.00 9.83 H new ATOM 0 HD13 LEU A 93 -0.694 32.565 17.271 1.00 9.83 H new ATOM 0 HD21 LEU A 93 -3.170 33.633 15.995 1.00 12.03 H new ATOM 0 HD22 LEU A 93 -2.802 33.994 17.493 1.00 12.03 H new ATOM 0 HD23 LEU A 93 -3.050 35.149 16.437 1.00 12.03 H new ATOM 657 N ILE A 94 -1.119 38.024 18.699 1.00 7.53 N ATOM 658 CA ILE A 94 -0.826 38.872 19.848 1.00 7.57 C ATOM 659 C ILE A 94 -1.477 38.251 21.078 1.00 9.16 C ATOM 660 O ILE A 94 -2.675 37.969 21.074 1.00 8.40 O ATOM 661 CB ILE A 94 -1.403 40.289 19.641 1.00 8.12 C ATOM 662 CG1 ILE A 94 -0.777 40.929 18.402 1.00 9.86 C ATOM 663 CG2 ILE A 94 -1.152 41.144 20.878 1.00 9.70 C ATOM 664 CD1 ILE A 94 -1.463 42.223 17.975 1.00 10.37 C ATOM 0 H ILE A 94 -1.954 37.843 18.599 1.00 7.53 H new ATOM 0 HA ILE A 94 0.135 38.941 19.958 1.00 7.57 H new ATOM 0 HB ILE A 94 -2.361 40.227 19.505 1.00 8.12 H new ATOM 0 HG12 ILE A 94 0.159 41.110 18.578 1.00 9.86 H new ATOM 0 HG13 ILE A 94 -0.810 40.296 17.668 1.00 9.86 H new ATOM 0 HG21 ILE A 94 -1.518 42.031 20.738 1.00 9.70 H new ATOM 0 HG22 ILE A 94 -1.581 40.736 21.646 1.00 9.70 H new ATOM 0 HG23 ILE A 94 -0.198 41.210 21.038 1.00 9.70 H new ATOM 0 HD11 ILE A 94 -1.022 42.579 17.188 1.00 10.37 H new ATOM 0 HD12 ILE A 94 -2.394 42.044 17.771 1.00 10.37 H new ATOM 0 HD13 ILE A 94 -1.410 42.871 18.695 1.00 10.37 H new ATOM 665 N LYS A 95 -0.688 38.028 22.122 1.00 8.55 N ATOM 666 CA LYS A 95 -1.224 37.443 23.343 1.00 9.51 C ATOM 667 C LYS A 95 -1.486 38.541 24.367 1.00 9.51 C ATOM 668 O LYS A 95 -0.675 39.449 24.533 1.00 10.73 O ATOM 669 CB LYS A 95 -0.250 36.417 23.924 1.00 9.62 C ATOM 670 CG LYS A 95 -0.876 35.577 25.029 1.00 11.35 C ATOM 671 CD LYS A 95 0.096 34.555 25.587 1.00 12.73 C ATOM 672 CE LYS A 95 -0.607 33.675 26.603 1.00 15.84 C ATOM 673 NZ LYS A 95 -1.812 33.054 26.003 1.00 21.64 N ATOM 0 H LYS A 95 0.153 38.206 22.144 1.00 8.55 H new ATOM 0 HA LYS A 95 -2.056 36.992 23.130 1.00 9.51 H new ATOM 0 HB2 LYS A 95 0.061 35.833 23.215 1.00 9.62 H new ATOM 0 HB3 LYS A 95 0.529 36.877 24.274 1.00 9.62 H new ATOM 0 HG2 LYS A 95 -1.178 36.158 25.744 1.00 11.35 H new ATOM 0 HG3 LYS A 95 -1.660 35.122 24.683 1.00 11.35 H new ATOM 0 HD2 LYS A 95 0.453 34.011 24.868 1.00 12.73 H new ATOM 0 HD3 LYS A 95 0.848 35.005 26.003 1.00 12.73 H new ATOM 0 HE2 LYS A 95 -0.002 32.984 26.915 1.00 15.84 H new ATOM 0 HE3 LYS A 95 -0.859 34.202 27.377 1.00 15.84 H new ATOM 0 HZ1 LYS A 95 -1.880 32.211 26.279 1.00 21.64 H new ATOM 0 HZ2 LYS A 95 -2.536 33.507 26.253 1.00 21.64 H new ATOM 0 HZ3 LYS A 95 -1.744 33.071 25.116 1.00 21.64 H new ATOM 674 N LEU A 96 -2.627 38.453 25.042 1.00 9.52 N ATOM 675 CA LEU A 96 -3.002 39.435 26.059 1.00 11.32 C ATOM 676 C LEU A 96 -2.342 39.091 27.397 1.00 11.45 C ATOM 677 O LEU A 96 -2.283 37.923 27.783 1.00 12.42 O ATOM 678 CB LEU A 96 -4.524 39.455 26.225 1.00 12.07 C ATOM 679 CG LEU A 96 -5.353 39.690 24.955 1.00 14.27 C ATOM 680 CD1 LEU A 96 -6.840 39.669 25.290 1.00 14.83 C ATOM 681 CD2 LEU A 96 -4.966 41.021 24.327 1.00 15.73 C ATOM 0 H LEU A 96 -3.204 37.826 24.926 1.00 9.52 H new ATOM 0 HA LEU A 96 -2.698 40.311 25.774 1.00 11.32 H new ATOM 0 HB2 LEU A 96 -4.797 38.609 26.613 1.00 12.07 H new ATOM 0 HB3 LEU A 96 -4.750 40.147 26.866 1.00 12.07 H new ATOM 0 HG LEU A 96 -5.172 38.981 24.319 1.00 14.27 H new ATOM 0 HD11 LEU A 96 -7.356 39.818 24.482 1.00 14.83 H new ATOM 0 HD12 LEU A 96 -7.075 38.807 25.668 1.00 14.83 H new ATOM 0 HD13 LEU A 96 -7.037 40.368 25.933 1.00 14.83 H new ATOM 0 HD21 LEU A 96 -5.492 41.166 23.525 1.00 15.73 H new ATOM 0 HD22 LEU A 96 -5.135 41.738 24.958 1.00 15.73 H new ATOM 0 HD23 LEU A 96 -4.024 41.009 24.097 1.00 15.73 H new ATOM 682 N LYS A 97 -1.847 40.104 28.105 1.00 12.08 N ATOM 683 CA LYS A 97 -1.198 39.879 29.398 1.00 13.88 C ATOM 684 C LYS A 97 -2.147 39.219 30.387 1.00 12.94 C ATOM 685 O LYS A 97 -1.723 38.462 31.259 1.00 15.02 O ATOM 686 CB LYS A 97 -0.681 41.196 29.989 1.00 17.06 C ATOM 687 CG LYS A 97 0.620 41.698 29.374 1.00 22.61 C ATOM 688 CD LYS A 97 1.164 42.906 30.133 1.00 26.06 C ATOM 689 CE LYS A 97 1.658 42.527 31.524 1.00 28.14 C ATOM 690 NZ LYS A 97 2.944 41.771 31.489 1.00 30.09 N ATOM 0 H LYS A 97 -1.876 40.927 27.857 1.00 12.08 H new ATOM 0 HA LYS A 97 -0.448 39.284 29.241 1.00 13.88 H new ATOM 0 HB2 LYS A 97 -1.362 41.877 29.877 1.00 17.06 H new ATOM 0 HB3 LYS A 97 -0.551 41.080 30.943 1.00 17.06 H new ATOM 0 HG2 LYS A 97 1.279 40.986 29.380 1.00 22.61 H new ATOM 0 HG3 LYS A 97 0.470 41.937 28.446 1.00 22.61 H new ATOM 0 HD2 LYS A 97 1.891 43.304 29.629 1.00 26.06 H new ATOM 0 HD3 LYS A 97 0.470 43.579 30.209 1.00 26.06 H new ATOM 0 HE2 LYS A 97 1.774 43.332 32.053 1.00 28.14 H new ATOM 0 HE3 LYS A 97 0.983 41.990 31.968 1.00 28.14 H new ATOM 0 HZ1 LYS A 97 3.194 41.571 32.320 1.00 30.09 H new ATOM 0 HZ2 LYS A 97 2.835 41.020 31.024 1.00 30.09 H new ATOM 0 HZ3 LYS A 97 3.572 42.270 31.103 1.00 30.09 H new ATOM 691 N SER A 98 -3.430 39.531 30.260 1.00 12.59 N ATOM 692 CA SER A 98 -4.456 38.951 31.114 1.00 12.99 C ATOM 693 C SER A 98 -5.630 38.591 30.213 1.00 13.15 C ATOM 694 O SER A 98 -5.907 39.282 29.231 1.00 12.61 O ATOM 695 CB SER A 98 -4.890 39.946 32.197 1.00 14.22 C ATOM 696 OG SER A 98 -5.360 41.155 31.633 1.00 17.36 O ATOM 0 H SER A 98 -3.730 40.086 29.675 1.00 12.59 H new ATOM 0 HA SER A 98 -4.118 38.165 31.571 1.00 12.99 H new ATOM 0 HB2 SER A 98 -5.588 39.549 32.742 1.00 14.22 H new ATOM 0 HB3 SER A 98 -4.142 40.132 32.786 1.00 14.22 H new ATOM 0 HG SER A 98 -4.768 41.747 31.704 1.00 17.36 H new ATOM 697 N ALA A 99 -6.306 37.495 30.531 1.00 11.96 N ATOM 698 CA ALA A 99 -7.440 37.050 29.735 1.00 12.37 C ATOM 699 C ALA A 99 -8.571 38.073 29.734 1.00 12.53 C ATOM 700 O ALA A 99 -8.922 38.638 30.771 1.00 14.41 O ATOM 701 CB ALA A 99 -7.947 35.713 30.260 1.00 12.51 C ATOM 0 H ALA A 99 -6.123 36.994 31.206 1.00 11.96 H new ATOM 0 HA ALA A 99 -7.137 36.948 28.819 1.00 12.37 H new ATOM 0 HB1 ALA A 99 -8.702 35.421 29.726 1.00 12.51 H new ATOM 0 HB2 ALA A 99 -7.238 35.053 30.204 1.00 12.51 H new ATOM 0 HB3 ALA A 99 -8.224 35.812 31.184 1.00 12.51 H new ATOM 702 N ALA A 100 -9.135 38.313 28.557 1.00 11.90 N ATOM 703 CA ALA A 100 -10.241 39.246 28.437 1.00 12.02 C ATOM 704 C ALA A 100 -11.482 38.609 29.055 1.00 12.38 C ATOM 705 O ALA A 100 -11.597 37.382 29.129 1.00 12.41 O ATOM 706 CB ALA A 100 -10.493 39.570 26.967 1.00 13.16 C ATOM 0 H ALA A 100 -8.891 37.946 27.818 1.00 11.90 H new ATOM 0 HA ALA A 100 -10.030 40.072 28.900 1.00 12.02 H new ATOM 0 HB1 ALA A 100 -11.233 40.193 26.895 1.00 13.16 H new ATOM 0 HB2 ALA A 100 -9.697 39.968 26.582 1.00 13.16 H new ATOM 0 HB3 ALA A 100 -10.710 38.755 26.488 1.00 13.16 H new ATOM 707 N SER A 101 -12.399 39.446 29.525 1.00 12.81 N ATOM 708 CA SER A 101 -13.642 38.956 30.097 1.00 14.50 C ATOM 709 C SER A 101 -14.632 38.925 28.943 1.00 14.50 C ATOM 710 O SER A 101 -15.074 39.967 28.465 1.00 15.66 O ATOM 711 CB SER A 101 -14.140 39.897 31.194 1.00 16.37 C ATOM 712 OG SER A 101 -13.211 39.970 32.260 1.00 23.65 O ATOM 0 H SER A 101 -12.319 40.302 29.521 1.00 12.81 H new ATOM 0 HA SER A 101 -13.528 38.083 30.504 1.00 14.50 H new ATOM 0 HB2 SER A 101 -14.284 40.782 30.825 1.00 16.37 H new ATOM 0 HB3 SER A 101 -14.996 39.586 31.527 1.00 16.37 H new ATOM 0 HG SER A 101 -13.502 40.492 32.850 1.00 23.65 H new ATOM 713 N LEU A 102 -14.963 37.728 28.481 1.00 14.35 N ATOM 714 CA LEU A 102 -15.885 37.586 27.366 1.00 13.87 C ATOM 715 C LEU A 102 -17.332 37.890 27.740 1.00 14.69 C ATOM 716 O LEU A 102 -17.833 37.441 28.771 1.00 15.79 O ATOM 717 CB LEU A 102 -15.785 36.172 26.786 1.00 14.60 C ATOM 718 CG LEU A 102 -14.393 35.759 26.305 1.00 14.72 C ATOM 719 CD1 LEU A 102 -14.430 34.330 25.786 1.00 18.04 C ATOM 720 CD2 LEU A 102 -13.923 36.715 25.219 1.00 16.18 C ATOM 0 H LEU A 102 -14.665 36.986 28.799 1.00 14.35 H new ATOM 0 HA LEU A 102 -15.624 38.243 26.702 1.00 13.87 H new ATOM 0 HB2 LEU A 102 -16.078 35.540 27.461 1.00 14.60 H new ATOM 0 HB3 LEU A 102 -16.403 36.099 26.042 1.00 14.60 H new ATOM 0 HG LEU A 102 -13.768 35.800 27.045 1.00 14.72 H new ATOM 0 HD11 LEU A 102 -13.545 34.073 25.482 1.00 18.04 H new ATOM 0 HD12 LEU A 102 -14.713 33.734 26.497 1.00 18.04 H new ATOM 0 HD13 LEU A 102 -15.055 34.270 25.047 1.00 18.04 H new ATOM 0 HD21 LEU A 102 -13.040 36.451 24.915 1.00 16.18 H new ATOM 0 HD22 LEU A 102 -14.543 36.688 24.473 1.00 16.18 H new ATOM 0 HD23 LEU A 102 -13.886 37.617 25.575 1.00 16.18 H new ATOM 721 N ASN A 103 -17.990 38.671 26.893 1.00 14.39 N ATOM 722 CA ASN A 103 -19.389 39.035 27.088 1.00 15.00 C ATOM 723 C ASN A 103 -19.995 39.332 25.719 1.00 15.98 C ATOM 724 O ASN A 103 -19.330 39.150 24.701 1.00 16.42 O ATOM 725 CB ASN A 103 -19.520 40.240 28.034 1.00 15.00 C ATOM 726 CG ASN A 103 -18.767 41.460 27.550 1.00 15.20 C ATOM 727 OD1 ASN A 103 -19.013 41.962 26.456 1.00 15.58 O ATOM 728 ND2 ASN A 103 -17.849 41.952 28.374 1.00 15.22 N ATOM 0 H ASN A 103 -17.637 39.007 26.185 1.00 14.39 H new ATOM 0 HA ASN A 103 -19.868 38.302 27.506 1.00 15.00 H new ATOM 0 HB2 ASN A 103 -20.458 40.465 28.135 1.00 15.00 H new ATOM 0 HB3 ASN A 103 -19.192 39.992 28.912 1.00 15.00 H new ATOM 0 HD21 ASN A 103 -17.399 42.650 28.149 1.00 15.22 H new ATOM 0 HD22 ASN A 103 -17.705 41.573 29.132 1.00 15.22 H new ATOM 729 N SER A 104 -21.245 39.782 25.681 1.00 16.86 N ATOM 730 CA SER A 104 -21.899 40.050 24.401 1.00 16.87 C ATOM 731 C SER A 104 -21.197 41.098 23.537 1.00 16.26 C ATOM 732 O SER A 104 -21.316 41.079 22.311 1.00 16.78 O ATOM 733 CB SER A 104 -23.354 40.477 24.624 1.00 18.50 C ATOM 734 OG SER A 104 -23.433 41.819 25.071 1.00 19.92 O ATOM 0 H SER A 104 -21.728 39.938 26.375 1.00 16.86 H new ATOM 0 HA SER A 104 -21.853 39.213 23.913 1.00 16.87 H new ATOM 0 HB2 SER A 104 -23.852 40.379 23.798 1.00 18.50 H new ATOM 0 HB3 SER A 104 -23.769 39.891 25.277 1.00 18.50 H new ATOM 0 HG SER A 104 -23.947 41.864 25.734 1.00 19.92 H new ATOM 735 N ARG A 105 -20.462 42.006 24.173 1.00 15.83 N ATOM 736 CA ARG A 105 -19.766 43.070 23.455 1.00 16.13 C ATOM 737 C ARG A 105 -18.296 42.766 23.186 1.00 15.00 C ATOM 738 O ARG A 105 -17.628 43.477 22.435 1.00 15.17 O ATOM 739 CB ARG A 105 -19.907 44.379 24.235 1.00 17.96 C ATOM 740 CG ARG A 105 -21.312 44.959 24.160 1.00 23.03 C ATOM 741 CD ARG A 105 -21.630 45.910 25.306 1.00 26.01 C ATOM 742 NE ARG A 105 -22.047 45.204 26.517 1.00 31.86 N ATOM 743 CZ ARG A 105 -21.217 44.708 27.430 1.00 32.61 C ATOM 744 NH1 ARG A 105 -19.906 44.839 27.285 1.00 34.62 N ATOM 745 NH2 ARG A 105 -21.700 44.074 28.492 1.00 34.23 N ATOM 0 H ARG A 105 -20.353 42.023 25.026 1.00 15.83 H new ATOM 0 HA ARG A 105 -20.184 43.147 22.583 1.00 16.13 H new ATOM 0 HB2 ARG A 105 -19.674 44.224 25.164 1.00 17.96 H new ATOM 0 HB3 ARG A 105 -19.274 45.028 23.888 1.00 17.96 H new ATOM 0 HG2 ARG A 105 -21.417 45.430 23.318 1.00 23.03 H new ATOM 0 HG3 ARG A 105 -21.956 44.233 24.161 1.00 23.03 H new ATOM 0 HD2 ARG A 105 -20.848 46.449 25.502 1.00 26.01 H new ATOM 0 HD3 ARG A 105 -22.333 46.519 25.032 1.00 26.01 H new ATOM 0 HE ARG A 105 -22.891 45.102 26.648 1.00 31.86 H new ATOM 0 HH11 ARG A 105 -19.588 45.247 26.598 1.00 34.62 H new ATOM 0 HH12 ARG A 105 -19.373 44.516 27.878 1.00 34.62 H new ATOM 0 HH21 ARG A 105 -22.550 43.984 28.589 1.00 34.23 H new ATOM 0 HH22 ARG A 105 -21.163 43.753 29.082 1.00 34.23 H new ATOM 746 N VAL A 106 -17.800 41.704 23.808 1.00 14.16 N ATOM 747 CA VAL A 106 -16.420 41.276 23.636 1.00 12.72 C ATOM 748 C VAL A 106 -16.471 39.768 23.426 1.00 12.94 C ATOM 749 O VAL A 106 -16.559 39.002 24.385 1.00 13.44 O ATOM 750 CB VAL A 106 -15.571 41.605 24.884 1.00 12.54 C ATOM 751 CG1 VAL A 106 -14.145 41.109 24.696 1.00 13.41 C ATOM 752 CG2 VAL A 106 -15.580 43.109 25.129 1.00 13.32 C ATOM 0 H VAL A 106 -18.257 41.210 24.344 1.00 14.16 H new ATOM 0 HA VAL A 106 -16.009 41.735 22.887 1.00 12.72 H new ATOM 0 HB VAL A 106 -15.953 41.157 25.655 1.00 12.54 H new ATOM 0 HG11 VAL A 106 -13.622 41.321 25.485 1.00 13.41 H new ATOM 0 HG12 VAL A 106 -14.151 40.148 24.561 1.00 13.41 H new ATOM 0 HG13 VAL A 106 -13.751 41.541 23.922 1.00 13.41 H new ATOM 0 HG21 VAL A 106 -15.046 43.313 25.913 1.00 13.32 H new ATOM 0 HG22 VAL A 106 -15.208 43.565 24.358 1.00 13.32 H new ATOM 0 HG23 VAL A 106 -16.491 43.408 25.272 1.00 13.32 H new ATOM 753 N ALA A 107 -16.427 39.348 22.165 1.00 12.09 N ATOM 754 CA ALA A 107 -16.511 37.932 21.840 1.00 12.00 C ATOM 755 C ALA A 107 -15.492 37.527 20.792 1.00 11.60 C ATOM 756 O ALA A 107 -15.011 38.355 20.018 1.00 11.04 O ATOM 757 CB ALA A 107 -17.921 37.599 21.353 1.00 13.88 C ATOM 0 H ALA A 107 -16.349 39.868 21.485 1.00 12.09 H new ATOM 0 HA ALA A 107 -16.313 37.431 22.647 1.00 12.00 H new ATOM 0 HB1 ALA A 107 -17.974 36.655 21.137 1.00 13.88 H new ATOM 0 HB2 ALA A 107 -18.562 37.808 22.050 1.00 13.88 H new ATOM 0 HB3 ALA A 107 -18.123 38.123 20.562 1.00 13.88 H new ATOM 758 N SER A 108 -15.170 36.240 20.768 1.00 11.61 N ATOM 759 CA SER A 108 -14.213 35.716 19.809 1.00 11.06 C ATOM 760 C SER A 108 -14.906 35.316 18.512 1.00 11.32 C ATOM 761 O SER A 108 -16.114 35.064 18.489 1.00 12.72 O ATOM 762 CB SER A 108 -13.483 34.508 20.407 1.00 12.76 C ATOM 763 OG SER A 108 -14.398 33.517 20.842 1.00 15.11 O ATOM 0 H SER A 108 -15.498 35.652 21.303 1.00 11.61 H new ATOM 0 HA SER A 108 -13.569 36.413 19.608 1.00 11.06 H new ATOM 0 HB2 SER A 108 -12.884 34.129 19.745 1.00 12.76 H new ATOM 0 HB3 SER A 108 -12.935 34.796 21.154 1.00 12.76 H new ATOM 0 HG SER A 108 -14.681 33.086 20.179 1.00 15.11 H new ATOM 764 N ILE A 109 -14.137 35.288 17.430 1.00 9.90 N ATOM 765 CA ILE A 109 -14.650 34.887 16.128 1.00 9.87 C ATOM 766 C ILE A 109 -13.965 33.557 15.812 1.00 10.32 C ATOM 767 O ILE A 109 -12.767 33.395 16.052 1.00 10.61 O ATOM 768 CB ILE A 109 -14.317 35.950 15.046 1.00 9.70 C ATOM 769 CG1 ILE A 109 -14.876 35.514 13.690 1.00 11.97 C ATOM 770 CG2 ILE A 109 -12.818 36.173 14.974 1.00 10.90 C ATOM 771 CD1 ILE A 109 -16.388 35.487 13.631 1.00 12.91 C ATOM 0 H ILE A 109 -13.304 35.501 17.431 1.00 9.90 H new ATOM 0 HA ILE A 109 -15.616 34.801 16.137 1.00 9.87 H new ATOM 0 HB ILE A 109 -14.735 36.791 15.288 1.00 9.70 H new ATOM 0 HG12 ILE A 109 -14.545 36.116 13.005 1.00 11.97 H new ATOM 0 HG13 ILE A 109 -14.537 34.630 13.479 1.00 11.97 H new ATOM 0 HG21 ILE A 109 -12.622 36.838 14.296 1.00 10.90 H new ATOM 0 HG22 ILE A 109 -12.495 36.484 15.834 1.00 10.90 H new ATOM 0 HG23 ILE A 109 -12.377 35.340 14.746 1.00 10.90 H new ATOM 0 HD11 ILE A 109 -16.673 35.204 12.748 1.00 12.91 H new ATOM 0 HD12 ILE A 109 -16.727 34.866 14.294 1.00 12.91 H new ATOM 0 HD13 ILE A 109 -16.735 36.374 13.813 1.00 12.91 H new ATOM 772 N SER A 110 -14.722 32.599 15.291 1.00 11.13 N ATOM 773 CA SER A 110 -14.163 31.288 14.989 1.00 11.54 C ATOM 774 C SER A 110 -13.258 31.261 13.763 1.00 11.24 C ATOM 775 O SER A 110 -13.440 32.024 12.812 1.00 10.64 O ATOM 776 CB SER A 110 -15.286 30.269 14.791 1.00 15.41 C ATOM 777 OG SER A 110 -15.908 30.449 13.534 1.00 23.51 O ATOM 0 H SER A 110 -15.557 32.687 15.106 1.00 11.13 H new ATOM 0 HA SER A 110 -13.611 31.061 15.754 1.00 11.54 H new ATOM 0 HB2 SER A 110 -14.928 29.370 14.854 1.00 15.41 H new ATOM 0 HB3 SER A 110 -15.943 30.363 15.499 1.00 15.41 H new ATOM 0 HG SER A 110 -16.189 31.238 13.470 1.00 23.51 H new ATOM 778 N LEU A 111 -12.271 30.374 13.803 1.00 11.08 N ATOM 779 CA LEU A 111 -11.354 30.208 12.689 1.00 11.56 C ATOM 780 C LEU A 111 -12.043 29.296 11.684 1.00 13.05 C ATOM 781 O LEU A 111 -12.881 28.467 12.049 1.00 14.27 O ATOM 782 CB LEU A 111 -10.046 29.570 13.158 1.00 11.73 C ATOM 783 CG LEU A 111 -9.182 30.428 14.086 1.00 11.80 C ATOM 784 CD1 LEU A 111 -7.927 29.661 14.475 1.00 14.09 C ATOM 785 CD2 LEU A 111 -8.819 31.728 13.384 1.00 13.07 C ATOM 0 H LEU A 111 -12.116 29.856 14.472 1.00 11.08 H new ATOM 0 HA LEU A 111 -11.136 31.067 12.295 1.00 11.56 H new ATOM 0 HB2 LEU A 111 -10.256 28.740 13.615 1.00 11.73 H new ATOM 0 HB3 LEU A 111 -9.520 29.339 12.376 1.00 11.73 H new ATOM 0 HG LEU A 111 -9.678 30.637 14.893 1.00 11.80 H new ATOM 0 HD11 LEU A 111 -7.382 30.208 15.063 1.00 14.09 H new ATOM 0 HD12 LEU A 111 -8.176 28.843 14.934 1.00 14.09 H new ATOM 0 HD13 LEU A 111 -7.421 29.442 13.677 1.00 14.09 H new ATOM 0 HD21 LEU A 111 -8.272 32.272 13.972 1.00 13.07 H new ATOM 0 HD22 LEU A 111 -8.325 31.531 12.573 1.00 13.07 H new ATOM 0 HD23 LEU A 111 -9.629 32.211 13.159 1.00 13.07 H new ATOM 786 N PRO A 112 -11.708 29.440 10.399 1.00 13.07 N ATOM 787 CA PRO A 112 -12.340 28.590 9.392 1.00 14.13 C ATOM 788 C PRO A 112 -11.885 27.136 9.465 1.00 13.38 C ATOM 789 O PRO A 112 -10.788 26.837 9.935 1.00 14.39 O ATOM 790 CB PRO A 112 -11.941 29.260 8.083 1.00 16.26 C ATOM 791 CG PRO A 112 -10.596 29.807 8.390 1.00 16.02 C ATOM 792 CD PRO A 112 -10.769 30.389 9.778 1.00 13.48 C ATOM 0 HA PRO A 112 -13.301 28.524 9.510 1.00 14.13 H new ATOM 0 HB2 PRO A 112 -11.913 28.627 7.349 1.00 16.26 H new ATOM 0 HB3 PRO A 112 -12.565 29.959 7.832 1.00 16.26 H new ATOM 0 HG2 PRO A 112 -9.916 29.116 8.373 1.00 16.02 H new ATOM 0 HG3 PRO A 112 -10.329 30.484 7.748 1.00 16.02 H new ATOM 0 HD2 PRO A 112 -9.928 30.434 10.259 1.00 13.48 H new ATOM 0 HD3 PRO A 112 -11.129 31.289 9.751 1.00 13.48 H new ATOM 793 N THR A 113 -12.750 26.235 9.015 1.00 15.23 N ATOM 794 CA THR A 113 -12.432 24.814 8.986 1.00 16.25 C ATOM 795 C THR A 113 -12.105 24.491 7.532 1.00 15.61 C ATOM 796 O THR A 113 -11.599 23.418 7.211 1.00 18.23 O ATOM 797 CB THR A 113 -13.626 23.965 9.443 1.00 18.50 C ATOM 798 OG1 THR A 113 -14.785 24.347 8.698 1.00 20.83 O ATOM 799 CG2 THR A 113 -13.893 24.173 10.926 1.00 19.55 C ATOM 0 H THR A 113 -13.534 26.429 8.719 1.00 15.23 H new ATOM 0 HA THR A 113 -11.695 24.616 9.585 1.00 16.25 H new ATOM 0 HB THR A 113 -13.422 23.029 9.290 1.00 18.50 H new ATOM 0 HG1 THR A 113 -15.103 25.056 9.018 1.00 20.83 H new ATOM 0 HG21 THR A 113 -14.649 23.630 11.198 1.00 19.55 H new ATOM 0 HG22 THR A 113 -13.109 23.914 11.436 1.00 19.55 H new ATOM 0 HG23 THR A 113 -14.091 25.108 11.091 1.00 19.55 H new ATOM 800 N SER A 114 -12.398 25.454 6.663 1.00 12.91 N ATOM 801 CA SER A 114 -12.149 25.342 5.230 1.00 12.21 C ATOM 802 C SER A 114 -12.174 26.741 4.620 1.00 11.78 C ATOM 803 O SER A 114 -12.729 27.670 5.206 1.00 11.64 O ATOM 804 CB SER A 114 -13.215 24.463 4.570 1.00 12.47 C ATOM 805 OG SER A 114 -14.507 25.016 4.741 1.00 14.97 O ATOM 0 H SER A 114 -12.753 26.203 6.894 1.00 12.91 H new ATOM 0 HA SER A 114 -11.283 24.931 5.081 1.00 12.21 H new ATOM 0 HB2 SER A 114 -13.022 24.370 3.624 1.00 12.47 H new ATOM 0 HB3 SER A 114 -13.187 23.573 4.954 1.00 12.47 H new ATOM 0 HG SER A 114 -14.689 25.510 4.087 1.00 14.97 H new ATOM 806 N CYS A 115 -11.573 26.890 3.446 1.00 11.13 N ATOM 807 CA CYS A 115 -11.538 28.184 2.780 1.00 11.35 C ATOM 808 C CYS A 115 -12.896 28.559 2.200 1.00 12.52 C ATOM 809 O CYS A 115 -13.737 27.697 1.941 1.00 12.54 O ATOM 810 CB CYS A 115 -10.485 28.174 1.669 1.00 10.94 C ATOM 811 SG CYS A 115 -8.794 27.817 2.244 1.00 9.99 S ATOM 0 H CYS A 115 -11.180 26.255 3.019 1.00 11.13 H new ATOM 0 HA CYS A 115 -11.305 28.850 3.446 1.00 11.35 H new ATOM 0 HB2 CYS A 115 -10.736 27.513 1.005 1.00 10.94 H new ATOM 0 HB3 CYS A 115 -10.489 29.037 1.226 1.00 10.94 H new ATOM 812 N ALA A 116 -13.114 29.856 2.014 1.00 11.27 N ATOM 813 CA ALA A 116 -14.364 30.348 1.451 1.00 11.79 C ATOM 814 C ALA A 116 -14.246 30.423 -0.067 1.00 13.17 C ATOM 815 O ALA A 116 -13.159 30.606 -0.611 1.00 13.50 O ATOM 816 CB ALA A 116 -14.693 31.723 2.019 1.00 11.68 C ATOM 0 H ALA A 116 -12.546 30.471 2.209 1.00 11.27 H new ATOM 0 HA ALA A 116 -15.080 29.737 1.686 1.00 11.79 H new ATOM 0 HB1 ALA A 116 -15.526 32.040 1.637 1.00 11.68 H new ATOM 0 HB2 ALA A 116 -14.782 31.662 2.983 1.00 11.68 H new ATOM 0 HB3 ALA A 116 -13.980 32.343 1.799 1.00 11.68 H new ATOM 817 N SER A 117 -15.374 30.282 -0.750 1.00 13.69 N ATOM 818 CA SER A 117 -15.393 30.326 -2.206 1.00 13.67 C ATOM 819 C SER A 117 -15.619 31.734 -2.748 1.00 13.12 C ATOM 820 O SER A 117 -16.121 32.612 -2.046 1.00 13.51 O ATOM 821 CB SER A 117 -16.499 29.412 -2.730 1.00 16.69 C ATOM 822 OG SER A 117 -17.760 29.854 -2.262 1.00 20.50 O ATOM 0 H SER A 117 -16.144 30.159 -0.387 1.00 13.69 H new ATOM 0 HA SER A 117 -14.522 30.028 -2.511 1.00 13.67 H new ATOM 0 HB2 SER A 117 -16.490 29.406 -3.700 1.00 16.69 H new ATOM 0 HB3 SER A 117 -16.340 28.500 -2.439 1.00 16.69 H new ATOM 0 HG SER A 117 -17.983 29.403 -1.590 1.00 20.50 H new ATOM 823 N ALA A 118 -15.240 31.946 -4.002 1.00 13.64 N ATOM 824 CA ALA A 118 -15.450 33.237 -4.636 1.00 14.16 C ATOM 825 C ALA A 118 -16.955 33.486 -4.660 1.00 13.53 C ATOM 826 O ALA A 118 -17.744 32.551 -4.813 1.00 13.91 O ATOM 827 CB ALA A 118 -14.898 33.223 -6.053 1.00 14.38 C ATOM 0 H ALA A 118 -14.861 31.357 -4.501 1.00 13.64 H new ATOM 0 HA ALA A 118 -14.992 33.939 -4.147 1.00 14.16 H new ATOM 0 HB1 ALA A 118 -15.044 34.089 -6.466 1.00 14.38 H new ATOM 0 HB2 ALA A 118 -13.947 33.033 -6.028 1.00 14.38 H new ATOM 0 HB3 ALA A 118 -15.351 32.538 -6.570 1.00 14.38 H new ATOM 828 N GLY A 119 -17.352 34.743 -4.500 1.00 12.51 N ATOM 829 CA GLY A 119 -18.764 35.072 -4.511 1.00 12.63 C ATOM 830 C GLY A 119 -19.385 35.143 -3.129 1.00 12.66 C ATOM 831 O GLY A 119 -20.452 35.728 -2.955 1.00 14.54 O ATOM 0 H GLY A 119 -16.823 35.412 -4.385 1.00 12.51 H new ATOM 0 HA2 GLY A 119 -18.885 35.926 -4.956 1.00 12.63 H new ATOM 0 HA3 GLY A 119 -19.238 34.409 -5.036 1.00 12.63 H new ATOM 832 N THR A 120 -18.730 34.539 -2.142 1.00 12.60 N ATOM 833 CA THR A 120 -19.247 34.561 -0.779 1.00 12.48 C ATOM 834 C THR A 120 -19.198 35.988 -0.239 1.00 12.95 C ATOM 835 O THR A 120 -18.185 36.679 -0.373 1.00 11.93 O ATOM 836 CB THR A 120 -18.417 33.648 0.147 1.00 12.50 C ATOM 837 OG1 THR A 120 -18.392 32.319 -0.390 1.00 15.12 O ATOM 838 CG2 THR A 120 -19.024 33.610 1.544 1.00 13.38 C ATOM 0 H THR A 120 -17.989 34.114 -2.240 1.00 12.60 H new ATOM 0 HA THR A 120 -20.161 34.237 -0.798 1.00 12.48 H new ATOM 0 HB THR A 120 -17.515 34.001 0.204 1.00 12.50 H new ATOM 0 HG1 THR A 120 -17.739 32.240 -0.913 1.00 15.12 H new ATOM 0 HG21 THR A 120 -18.491 33.033 2.113 1.00 13.38 H new ATOM 0 HG22 THR A 120 -19.038 34.506 1.916 1.00 13.38 H new ATOM 0 HG23 THR A 120 -19.930 33.267 1.494 1.00 13.38 H new ATOM 839 N GLN A 121 -20.297 36.428 0.365 1.00 13.09 N ATOM 840 CA GLN A 121 -20.360 37.772 0.919 1.00 13.80 C ATOM 841 C GLN A 121 -19.713 37.776 2.296 1.00 12.98 C ATOM 842 O GLN A 121 -19.922 36.856 3.089 1.00 13.72 O ATOM 843 CB GLN A 121 -21.811 38.233 1.039 1.00 16.06 C ATOM 844 CG GLN A 121 -21.961 39.741 0.963 1.00 21.68 C ATOM 845 CD GLN A 121 -21.743 40.267 -0.445 1.00 22.72 C ATOM 846 OE1 GLN A 121 -21.287 41.394 -0.637 1.00 27.98 O ATOM 847 NE2 GLN A 121 -22.085 39.455 -1.440 1.00 26.19 N ATOM 0 H GLN A 121 -21.014 35.964 0.464 1.00 13.09 H new ATOM 0 HA GLN A 121 -19.888 38.379 0.328 1.00 13.80 H new ATOM 0 HB2 GLN A 121 -22.335 37.825 0.332 1.00 16.06 H new ATOM 0 HB3 GLN A 121 -22.177 37.918 1.881 1.00 16.06 H new ATOM 0 HG2 GLN A 121 -22.847 39.992 1.267 1.00 21.68 H new ATOM 0 HG3 GLN A 121 -21.325 40.159 1.565 1.00 21.68 H new ATOM 0 HE21 GLN A 121 -22.401 38.674 -1.268 1.00 26.19 H new ATOM 0 HE22 GLN A 121 -21.991 39.711 -2.256 1.00 26.19 H new ATOM 848 N CYS A 122 -18.930 38.811 2.582 1.00 12.54 N ATOM 849 CA CYS A 122 -18.254 38.916 3.870 1.00 11.59 C ATOM 850 C CYS A 122 -18.443 40.290 4.492 1.00 12.16 C ATOM 851 O CYS A 122 -18.878 41.230 3.827 1.00 13.54 O ATOM 852 CB CYS A 122 -16.755 38.672 3.710 1.00 12.30 C ATOM 853 SG CYS A 122 -16.282 37.175 2.795 1.00 13.16 S ATOM 0 H CYS A 122 -18.777 39.464 2.043 1.00 12.54 H new ATOM 0 HA CYS A 122 -18.648 38.244 4.448 1.00 11.59 H new ATOM 0 HB2 CYS A 122 -16.367 39.439 3.261 1.00 12.30 H new ATOM 0 HB3 CYS A 122 -16.357 38.629 4.593 1.00 12.30 H new ATOM 854 N LEU A 123 -18.096 40.394 5.770 1.00 10.57 N ATOM 855 CA LEU A 123 -18.194 41.649 6.496 1.00 9.92 C ATOM 856 C LEU A 123 -16.794 42.119 6.858 1.00 10.66 C ATOM 857 O LEU A 123 -16.048 41.419 7.552 1.00 9.49 O ATOM 858 CB LEU A 123 -19.018 41.471 7.772 1.00 11.35 C ATOM 859 CG LEU A 123 -19.185 42.745 8.602 1.00 12.05 C ATOM 860 CD1 LEU A 123 -20.056 43.739 7.847 1.00 14.01 C ATOM 861 CD2 LEU A 123 -19.806 42.404 9.942 1.00 14.88 C ATOM 0 H LEU A 123 -17.797 39.738 6.239 1.00 10.57 H new ATOM 0 HA LEU A 123 -18.634 42.306 5.935 1.00 9.92 H new ATOM 0 HB2 LEU A 123 -19.897 41.137 7.532 1.00 11.35 H new ATOM 0 HB3 LEU A 123 -18.598 40.792 8.323 1.00 11.35 H new ATOM 0 HG LEU A 123 -18.316 43.148 8.756 1.00 12.05 H new ATOM 0 HD11 LEU A 123 -20.160 44.545 8.376 1.00 14.01 H new ATOM 0 HD12 LEU A 123 -19.636 43.960 7.001 1.00 14.01 H new ATOM 0 HD13 LEU A 123 -20.928 43.346 7.683 1.00 14.01 H new ATOM 0 HD21 LEU A 123 -19.911 43.214 10.466 1.00 14.88 H new ATOM 0 HD22 LEU A 123 -20.675 41.996 9.802 1.00 14.88 H new ATOM 0 HD23 LEU A 123 -19.231 41.784 10.417 1.00 14.88 H new ATOM 862 N ILE A 124 -16.445 43.301 6.366 1.00 10.09 N ATOM 863 CA ILE A 124 -15.145 43.905 6.624 1.00 10.32 C ATOM 864 C ILE A 124 -15.400 45.113 7.522 1.00 10.11 C ATOM 865 O ILE A 124 -16.357 45.859 7.307 1.00 10.82 O ATOM 866 CB ILE A 124 -14.486 44.351 5.307 1.00 10.95 C ATOM 867 CG1 ILE A 124 -14.481 43.178 4.322 1.00 11.30 C ATOM 868 CG2 ILE A 124 -13.066 44.830 5.568 1.00 11.54 C ATOM 869 CD1 ILE A 124 -13.839 43.491 2.994 1.00 13.46 C ATOM 0 H ILE A 124 -16.960 43.779 5.869 1.00 10.09 H new ATOM 0 HA ILE A 124 -14.545 43.271 7.047 1.00 10.32 H new ATOM 0 HB ILE A 124 -14.991 45.086 4.925 1.00 10.95 H new ATOM 0 HG12 ILE A 124 -14.015 42.430 4.727 1.00 11.30 H new ATOM 0 HG13 ILE A 124 -15.395 42.893 4.169 1.00 11.30 H new ATOM 0 HG21 ILE A 124 -12.660 45.109 4.732 1.00 11.54 H new ATOM 0 HG22 ILE A 124 -13.085 45.579 6.184 1.00 11.54 H new ATOM 0 HG23 ILE A 124 -12.547 44.108 5.955 1.00 11.54 H new ATOM 0 HD11 ILE A 124 -13.872 42.706 2.425 1.00 13.46 H new ATOM 0 HD12 ILE A 124 -14.317 44.219 2.567 1.00 13.46 H new ATOM 0 HD13 ILE A 124 -12.915 43.749 3.134 1.00 13.46 H new ATOM 870 N SER A 125 -14.565 45.304 8.539 1.00 9.61 N ATOM 871 CA SER A 125 -14.771 46.420 9.455 1.00 9.33 C ATOM 872 C SER A 125 -13.483 47.076 9.932 1.00 9.97 C ATOM 873 O SER A 125 -12.414 46.468 9.896 1.00 8.86 O ATOM 874 CB SER A 125 -15.592 45.947 10.660 1.00 10.45 C ATOM 875 OG SER A 125 -15.065 44.745 11.201 1.00 10.26 O ATOM 0 H SER A 125 -13.885 44.808 8.714 1.00 9.61 H new ATOM 0 HA SER A 125 -15.249 47.100 8.956 1.00 9.33 H new ATOM 0 HB2 SER A 125 -15.597 46.637 11.342 1.00 10.45 H new ATOM 0 HB3 SER A 125 -16.514 45.807 10.392 1.00 10.45 H new ATOM 0 HG SER A 125 -15.456 44.087 10.856 1.00 10.26 H new ATOM 876 N GLY A 126 -13.596 48.324 10.380 1.00 9.93 N ATOM 877 CA GLY A 126 -12.427 49.038 10.861 1.00 9.27 C ATOM 878 C GLY A 126 -12.652 50.520 11.101 1.00 9.14 C ATOM 879 O GLY A 126 -13.716 51.067 10.793 1.00 10.20 O ATOM 0 H GLY A 126 -14.332 48.767 10.412 1.00 9.93 H new ATOM 0 HA2 GLY A 126 -12.130 48.629 11.689 1.00 9.27 H new ATOM 0 HA3 GLY A 126 -11.709 48.931 10.218 1.00 9.27 H new ATOM 880 N TRP A 127 -11.633 51.161 11.666 1.00 9.57 N ATOM 881 CA TRP A 127 -11.656 52.586 11.976 1.00 9.85 C ATOM 882 C TRP A 127 -10.762 53.356 11.010 1.00 10.78 C ATOM 883 O TRP A 127 -10.295 54.454 11.322 1.00 12.53 O ATOM 884 CB TRP A 127 -11.168 52.814 13.409 1.00 9.66 C ATOM 885 CG TRP A 127 -12.151 52.407 14.469 1.00 9.87 C ATOM 886 CD1 TRP A 127 -13.218 53.132 14.919 1.00 10.32 C ATOM 887 CD2 TRP A 127 -12.154 51.183 15.218 1.00 8.90 C ATOM 888 NE1 TRP A 127 -13.880 52.439 15.903 1.00 10.19 N ATOM 889 CE2 TRP A 127 -13.247 51.239 16.106 1.00 9.65 C ATOM 890 CE3 TRP A 127 -11.336 50.047 15.225 1.00 8.70 C ATOM 891 CZ2 TRP A 127 -13.545 50.204 16.992 1.00 9.13 C ATOM 892 CZ3 TRP A 127 -11.633 49.018 16.109 1.00 9.03 C ATOM 893 CH2 TRP A 127 -12.728 49.106 16.980 1.00 10.49 C ATOM 0 H TRP A 127 -10.897 50.773 11.883 1.00 9.57 H new ATOM 0 HA TRP A 127 -12.567 52.906 11.887 1.00 9.85 H new ATOM 0 HB2 TRP A 127 -10.343 52.321 13.541 1.00 9.66 H new ATOM 0 HB3 TRP A 127 -10.957 53.754 13.522 1.00 9.66 H new ATOM 0 HD1 TRP A 127 -13.461 53.973 14.605 1.00 10.32 H new ATOM 0 HE1 TRP A 127 -14.578 52.713 16.324 1.00 10.19 H new ATOM 0 HE3 TRP A 127 -10.608 49.983 14.649 1.00 8.70 H new ATOM 0 HZ2 TRP A 127 -14.272 50.258 17.570 1.00 9.13 H new ATOM 0 HZ3 TRP A 127 -11.097 48.258 16.123 1.00 9.03 H new ATOM 0 HH2 TRP A 127 -12.903 48.403 17.563 1.00 10.49 H new ATOM 894 N GLY A 128 -10.523 52.776 9.839 1.00 10.80 N ATOM 895 CA GLY A 128 -9.680 53.423 8.851 1.00 11.81 C ATOM 896 C GLY A 128 -10.303 54.593 8.108 1.00 11.94 C ATOM 897 O GLY A 128 -11.466 54.943 8.308 1.00 12.71 O ATOM 0 H GLY A 128 -10.839 52.012 9.601 1.00 10.80 H new ATOM 0 HA2 GLY A 128 -8.875 53.735 9.293 1.00 11.81 H new ATOM 0 HA3 GLY A 128 -9.406 52.758 8.200 1.00 11.81 H new ATOM 898 N ASN A 129 -9.499 55.200 7.243 1.00 13.09 N ATOM 899 CA ASN A 129 -9.912 56.338 6.427 1.00 13.89 C ATOM 900 C ASN A 129 -11.203 56.018 5.668 1.00 14.16 C ATOM 901 O ASN A 129 -11.363 54.920 5.131 1.00 14.64 O ATOM 902 CB ASN A 129 -8.779 56.678 5.451 1.00 15.07 C ATOM 903 CG ASN A 129 -9.063 57.911 4.615 1.00 15.59 C ATOM 904 OD1 ASN A 129 -9.998 58.663 4.883 1.00 16.96 O ATOM 905 ND2 ASN A 129 -8.238 58.129 3.595 1.00 18.99 N ATOM 0 H ASN A 129 -8.684 54.959 7.111 1.00 13.09 H new ATOM 0 HA ASN A 129 -10.090 57.102 6.998 1.00 13.89 H new ATOM 0 HB2 ASN A 129 -7.959 56.815 5.951 1.00 15.07 H new ATOM 0 HB3 ASN A 129 -8.629 55.922 4.862 1.00 15.07 H new ATOM 0 HD21 ASN A 129 -8.348 58.818 3.093 1.00 18.99 H new ATOM 0 HD22 ASN A 129 -7.594 57.581 3.438 1.00 18.99 H new ATOM 906 N THR A 130 -12.122 56.979 5.625 1.00 14.84 N ATOM 907 CA THR A 130 -13.394 56.786 4.934 1.00 16.06 C ATOM 908 C THR A 130 -13.461 57.498 3.586 1.00 18.13 C ATOM 909 O THR A 130 -14.491 57.466 2.914 1.00 18.44 O ATOM 910 CB THR A 130 -14.582 57.276 5.794 1.00 15.56 C ATOM 911 OG1 THR A 130 -14.405 58.662 6.117 1.00 16.40 O ATOM 912 CG2 THR A 130 -14.683 56.469 7.076 1.00 14.70 C ATOM 0 H THR A 130 -12.028 57.752 5.990 1.00 14.84 H new ATOM 0 HA THR A 130 -13.455 55.830 4.782 1.00 16.06 H new ATOM 0 HB THR A 130 -15.400 57.159 5.285 1.00 15.56 H new ATOM 0 HG1 THR A 130 -13.634 58.781 6.428 1.00 16.40 H new ATOM 0 HG21 THR A 130 -15.432 56.789 7.602 1.00 14.70 H new ATOM 0 HG22 THR A 130 -14.817 55.533 6.860 1.00 14.70 H new ATOM 0 HG23 THR A 130 -13.864 56.568 7.586 1.00 14.70 H new ATOM 913 N LYS A 131 -12.365 58.133 3.188 1.00 19.89 N ATOM 914 CA LYS A 131 -12.334 58.849 1.917 1.00 23.22 C ATOM 915 C LYS A 131 -11.479 58.152 0.868 1.00 24.66 C ATOM 916 O LYS A 131 -10.385 57.668 1.161 1.00 24.30 O ATOM 917 CB LYS A 131 -11.815 60.272 2.129 1.00 24.63 C ATOM 918 CG LYS A 131 -12.687 61.111 3.041 1.00 26.39 C ATOM 919 CD LYS A 131 -14.105 61.208 2.512 1.00 28.77 C ATOM 920 CE LYS A 131 -14.910 62.185 3.342 1.00 29.97 C ATOM 921 NZ LYS A 131 -14.247 63.516 3.351 1.00 30.24 N ATOM 0 H LYS A 131 -11.631 58.162 3.636 1.00 19.89 H new ATOM 0 HA LYS A 131 -13.245 58.868 1.585 1.00 23.22 H new ATOM 0 HB2 LYS A 131 -10.920 60.229 2.501 1.00 24.63 H new ATOM 0 HB3 LYS A 131 -11.744 60.713 1.268 1.00 24.63 H new ATOM 0 HG2 LYS A 131 -12.697 60.722 3.930 1.00 26.39 H new ATOM 0 HG3 LYS A 131 -12.309 62.001 3.125 1.00 26.39 H new ATOM 0 HD2 LYS A 131 -14.092 61.495 1.586 1.00 28.77 H new ATOM 0 HD3 LYS A 131 -14.525 60.334 2.532 1.00 28.77 H new ATOM 0 HE2 LYS A 131 -15.807 62.265 2.981 1.00 29.97 H new ATOM 0 HE3 LYS A 131 -14.998 61.854 4.249 1.00 29.97 H new ATOM 0 HZ1 LYS A 131 -14.845 64.144 3.550 1.00 30.24 H new ATOM 0 HZ2 LYS A 131 -13.599 63.521 3.961 1.00 30.24 H new ATOM 0 HZ3 LYS A 131 -13.900 63.680 2.548 1.00 30.24 H new ATOM 922 N SER A 132 -11.991 58.104 -0.358 1.00 27.11 N ATOM 923 CA SER A 132 -11.284 57.480 -1.471 1.00 29.34 C ATOM 924 C SER A 132 -10.209 58.440 -1.969 1.00 30.56 C ATOM 925 O SER A 132 -9.174 58.024 -2.490 1.00 31.03 O ATOM 926 CB SER A 132 -12.263 57.163 -2.603 1.00 29.23 C ATOM 927 OG SER A 132 -11.601 56.550 -3.695 1.00 31.25 O ATOM 0 H SER A 132 -12.758 58.432 -0.568 1.00 27.11 H new ATOM 0 HA SER A 132 -10.875 56.652 -1.175 1.00 29.34 H new ATOM 0 HB2 SER A 132 -12.962 56.576 -2.275 1.00 29.23 H new ATOM 0 HB3 SER A 132 -12.694 57.980 -2.900 1.00 29.23 H new ATOM 0 HG SER A 132 -11.290 55.808 -3.454 1.00 31.25 H new ATOM 928 N SER A 133 -10.476 59.731 -1.803 1.00 31.98 N ATOM 929 CA SER A 133 -9.556 60.788 -2.203 1.00 33.13 C ATOM 930 C SER A 133 -9.531 61.828 -1.092 1.00 33.24 C ATOM 931 O SER A 133 -10.449 62.637 -0.964 1.00 34.66 O ATOM 932 CB SER A 133 -10.020 61.439 -3.507 1.00 34.18 C ATOM 933 OG SER A 133 -9.216 62.562 -3.821 1.00 36.32 O ATOM 0 H SER A 133 -11.205 60.021 -1.451 1.00 31.98 H new ATOM 0 HA SER A 133 -8.671 60.418 -2.349 1.00 33.13 H new ATOM 0 HB2 SER A 133 -9.977 60.793 -4.229 1.00 34.18 H new ATOM 0 HB3 SER A 133 -10.947 61.712 -3.425 1.00 34.18 H new ATOM 0 HG SER A 133 -9.483 62.906 -4.539 1.00 36.32 H new ATOM 934 N GLY A 134 -8.474 61.800 -0.291 1.00 32.47 N ATOM 935 CA GLY A 134 -8.363 62.731 0.813 1.00 31.06 C ATOM 936 C GLY A 134 -8.267 61.934 2.096 1.00 29.71 C ATOM 937 O GLY A 134 -7.998 60.732 2.056 1.00 29.72 O ATOM 0 H GLY A 134 -7.816 61.252 -0.371 1.00 32.47 H new ATOM 0 HA2 GLY A 134 -7.580 63.293 0.704 1.00 31.06 H new ATOM 0 HA3 GLY A 134 -9.133 63.320 0.838 1.00 31.06 H new ATOM 938 N THR A 135 -8.494 62.581 3.234 1.00 27.87 N ATOM 939 CA THR A 135 -8.408 61.875 4.503 1.00 25.65 C ATOM 940 C THR A 135 -9.423 62.308 5.551 1.00 24.04 C ATOM 941 O THR A 135 -9.597 63.496 5.823 1.00 23.40 O ATOM 942 CB THR A 135 -7.000 62.011 5.113 1.00 26.17 C ATOM 943 OG1 THR A 135 -6.047 61.347 4.273 1.00 27.74 O ATOM 944 CG2 THR A 135 -6.960 61.394 6.498 1.00 26.43 C ATOM 0 H THR A 135 -8.696 63.415 3.292 1.00 27.87 H new ATOM 0 HA THR A 135 -8.610 60.954 4.275 1.00 25.65 H new ATOM 0 HB THR A 135 -6.781 62.953 5.181 1.00 26.17 H new ATOM 0 HG1 THR A 135 -5.279 61.423 4.606 1.00 27.74 H new ATOM 0 HG21 THR A 135 -6.068 61.487 6.868 1.00 26.43 H new ATOM 0 HG22 THR A 135 -7.597 61.846 7.073 1.00 26.43 H new ATOM 0 HG23 THR A 135 -7.189 60.453 6.440 1.00 26.43 H new ATOM 945 N SER A 136 -10.091 61.320 6.134 1.00 21.84 N ATOM 946 CA SER A 136 -11.075 61.547 7.181 1.00 20.42 C ATOM 947 C SER A 136 -11.191 60.259 7.979 1.00 19.09 C ATOM 948 O SER A 136 -11.573 59.218 7.445 1.00 18.11 O ATOM 949 CB SER A 136 -12.438 61.907 6.592 1.00 20.22 C ATOM 950 OG SER A 136 -13.380 62.139 7.627 1.00 20.93 O ATOM 0 H SER A 136 -9.984 60.491 5.930 1.00 21.84 H new ATOM 0 HA SER A 136 -10.793 62.288 7.740 1.00 20.42 H new ATOM 0 HB2 SER A 136 -12.358 62.698 6.037 1.00 20.22 H new ATOM 0 HB3 SER A 136 -12.749 61.189 6.019 1.00 20.22 H new ATOM 0 HG SER A 136 -13.681 61.405 7.902 1.00 20.93 H new ATOM 951 N TYR A 137 -10.846 60.330 9.257 1.00 18.39 N ATOM 952 CA TYR A 137 -10.904 59.163 10.118 1.00 17.54 C ATOM 953 C TYR A 137 -12.102 59.221 11.038 1.00 17.35 C ATOM 954 O TYR A 137 -12.304 60.198 11.763 1.00 16.98 O ATOM 955 CB TYR A 137 -9.612 59.051 10.923 1.00 19.30 C ATOM 956 CG TYR A 137 -8.467 58.524 10.098 1.00 20.75 C ATOM 957 CD1 TYR A 137 -8.208 57.163 10.029 1.00 22.81 C ATOM 958 CD2 TYR A 137 -7.672 59.381 9.351 1.00 22.06 C ATOM 959 CE1 TYR A 137 -7.191 56.669 9.240 1.00 23.91 C ATOM 960 CE2 TYR A 137 -6.651 58.895 8.558 1.00 23.59 C ATOM 961 CZ TYR A 137 -6.416 57.539 8.505 1.00 24.39 C ATOM 962 OH TYR A 137 -5.403 57.052 7.712 1.00 26.76 O ATOM 0 H TYR A 137 -10.575 61.048 9.645 1.00 18.39 H new ATOM 0 HA TYR A 137 -11.000 58.374 9.561 1.00 17.54 H new ATOM 0 HB2 TYR A 137 -9.378 59.923 11.277 1.00 19.30 H new ATOM 0 HB3 TYR A 137 -9.757 58.466 11.683 1.00 19.30 H new ATOM 0 HD1 TYR A 137 -8.730 56.573 10.524 1.00 22.81 H new ATOM 0 HD2 TYR A 137 -7.829 60.297 9.385 1.00 22.06 H new ATOM 0 HE1 TYR A 137 -7.029 55.754 9.204 1.00 23.91 H new ATOM 0 HE2 TYR A 137 -6.125 59.480 8.062 1.00 23.59 H new ATOM 0 HH TYR A 137 -5.019 57.691 7.325 1.00 26.76 H new ATOM 963 N PRO A 138 -12.928 58.171 11.009 1.00 16.59 N ATOM 964 CA PRO A 138 -14.123 58.092 11.843 1.00 16.97 C ATOM 965 C PRO A 138 -13.730 57.745 13.267 1.00 17.14 C ATOM 966 O PRO A 138 -12.630 57.254 13.518 1.00 20.06 O ATOM 967 CB PRO A 138 -14.920 56.978 11.179 1.00 16.62 C ATOM 968 CG PRO A 138 -13.830 56.025 10.777 1.00 16.30 C ATOM 969 CD PRO A 138 -12.780 56.956 10.187 1.00 16.26 C ATOM 0 HA PRO A 138 -14.628 58.918 11.906 1.00 16.97 H new ATOM 0 HB2 PRO A 138 -15.554 56.570 11.789 1.00 16.62 H new ATOM 0 HB3 PRO A 138 -15.426 57.297 10.415 1.00 16.62 H new ATOM 0 HG2 PRO A 138 -13.487 55.528 11.536 1.00 16.30 H new ATOM 0 HG3 PRO A 138 -14.141 55.374 10.129 1.00 16.30 H new ATOM 0 HD2 PRO A 138 -11.888 56.582 10.254 1.00 16.26 H new ATOM 0 HD3 PRO A 138 -12.943 57.134 9.248 1.00 16.26 H new ATOM 970 N ASP A 139 -14.627 58.012 14.200 1.00 16.88 N ATOM 971 CA ASP A 139 -14.361 57.694 15.589 1.00 16.63 C ATOM 972 C ASP A 139 -15.060 56.381 15.904 1.00 14.55 C ATOM 973 O ASP A 139 -14.585 55.595 16.720 1.00 12.39 O ATOM 974 CB ASP A 139 -14.867 58.816 16.494 1.00 19.57 C ATOM 975 CG ASP A 139 -14.106 60.113 16.284 1.00 22.93 C ATOM 976 OD1 ASP A 139 -12.874 60.117 16.480 1.00 22.58 O ATOM 977 OD2 ASP A 139 -14.738 61.128 15.921 1.00 24.26 O ATOM 0 H ASP A 139 -15.392 58.375 14.051 1.00 16.88 H new ATOM 0 HA ASP A 139 -13.408 57.606 15.744 1.00 16.63 H new ATOM 0 HB2 ASP A 139 -15.810 58.966 16.324 1.00 19.57 H new ATOM 0 HB3 ASP A 139 -14.786 58.542 17.421 1.00 19.57 H new ATOM 978 N VAL A 140 -16.182 56.141 15.231 1.00 13.60 N ATOM 979 CA VAL A 140 -16.945 54.916 15.428 1.00 13.57 C ATOM 980 C VAL A 140 -16.603 53.873 14.364 1.00 11.86 C ATOM 981 O VAL A 140 -16.137 54.202 13.270 1.00 11.35 O ATOM 982 CB VAL A 140 -18.463 55.193 15.408 1.00 13.25 C ATOM 983 CG1 VAL A 140 -18.836 56.119 16.561 1.00 14.86 C ATOM 984 CG2 VAL A 140 -18.865 55.810 14.079 1.00 15.22 C ATOM 0 H VAL A 140 -16.519 56.680 14.652 1.00 13.60 H new ATOM 0 HA VAL A 140 -16.701 54.567 16.300 1.00 13.57 H new ATOM 0 HB VAL A 140 -18.940 54.355 15.514 1.00 13.25 H new ATOM 0 HG11 VAL A 140 -19.791 56.290 16.543 1.00 14.86 H new ATOM 0 HG12 VAL A 140 -18.598 55.700 17.403 1.00 14.86 H new ATOM 0 HG13 VAL A 140 -18.357 56.957 16.471 1.00 14.86 H new ATOM 0 HG21 VAL A 140 -19.820 55.980 14.077 1.00 15.22 H new ATOM 0 HG22 VAL A 140 -18.388 56.645 13.952 1.00 15.22 H new ATOM 0 HG23 VAL A 140 -18.644 55.199 13.358 1.00 15.22 H new ATOM 985 N LEU A 141 -16.843 52.610 14.695 1.00 11.27 N ATOM 986 CA LEU A 141 -16.536 51.500 13.802 1.00 11.93 C ATOM 987 C LEU A 141 -17.377 51.501 12.532 1.00 11.28 C ATOM 988 O LEU A 141 -18.600 51.645 12.586 1.00 12.34 O ATOM 989 CB LEU A 141 -16.737 50.175 14.542 1.00 12.82 C ATOM 990 CG ALEU A 141 -16.241 48.916 13.826 0.50 10.78 C ATOM 991 CG BLEU A 141 -15.743 49.043 14.268 0.50 20.25 C ATOM 992 CD1ALEU A 141 -14.717 48.938 13.728 0.50 11.00 C ATOM 993 CD1BLEU A 141 -16.488 47.784 13.845 0.50 22.12 C ATOM 994 CD2ALEU A 141 -16.691 47.682 14.601 0.50 12.27 C ATOM 995 CD2BLEU A 141 -14.762 49.471 13.197 0.50 22.85 C ATOM 0 H LEU A 141 -17.189 52.372 15.445 1.00 11.27 H new ATOM 0 HA LEU A 141 -15.611 51.607 13.531 1.00 11.93 H new ATOM 0 HB2ALEU A 141 -16.288 50.234 15.400 0.50 12.82 H new ATOM 0 HB2BLEU A 141 -16.722 50.361 15.494 0.50 12.82 H new ATOM 0 HB3ALEU A 141 -17.684 50.069 14.724 0.50 12.82 H new ATOM 0 HB3BLEU A 141 -17.626 49.848 14.331 0.50 12.82 H new ATOM 0 HG ALEU A 141 -16.613 48.889 12.931 0.50 20.25 H new ATOM 0 HG BLEU A 141 -15.249 48.846 15.079 0.50 20.25 H new ATOM 0 HD11ALEU A 141 -14.410 48.138 13.274 0.50 22.12 H new ATOM 0 HD11BLEU A 141 -15.851 47.073 13.674 0.50 22.12 H new ATOM 0 HD12ALEU A 141 -14.436 49.721 13.229 0.50 22.12 H new ATOM 0 HD12BLEU A 141 -17.093 47.512 14.553 0.50 22.12 H new ATOM 0 HD13ALEU A 141 -14.336 48.969 14.619 0.50 22.12 H new ATOM 0 HD13BLEU A 141 -16.996 47.964 13.038 0.50 22.12 H new ATOM 0 HD21ALEU A 141 -16.377 46.883 14.149 0.50 22.85 H new ATOM 0 HD21BLEU A 141 -14.134 48.751 13.027 0.50 22.85 H new ATOM 0 HD22ALEU A 141 -16.323 47.711 15.498 0.50 22.85 H new ATOM 0 HD22BLEU A 141 -15.244 49.679 12.381 0.50 22.85 H new ATOM 0 HD23ALEU A 141 -17.660 47.666 14.650 0.50 22.85 H new ATOM 0 HD23BLEU A 141 -14.279 50.257 13.496 0.50 22.85 H new ATOM 996 N LYS A 142 -16.715 51.323 11.393 1.00 10.84 N ATOM 997 CA LYS A 142 -17.396 51.296 10.104 1.00 11.71 C ATOM 998 C LYS A 142 -17.444 49.873 9.562 1.00 11.46 C ATOM 999 O LYS A 142 -16.553 49.061 9.834 1.00 11.05 O ATOM 1000 CB LYS A 142 -16.685 52.221 9.112 1.00 12.00 C ATOM 1001 CG LYS A 142 -16.713 53.693 9.516 1.00 13.29 C ATOM 1002 CD LYS A 142 -18.131 54.243 9.530 1.00 16.70 C ATOM 1003 CE LYS A 142 -18.150 55.704 9.956 1.00 19.11 C ATOM 1004 NZ LYS A 142 -19.506 56.309 9.833 1.00 21.59 N ATOM 0 H LYS A 142 -15.863 51.215 11.346 1.00 10.84 H new ATOM 0 HA LYS A 142 -18.305 51.611 10.225 1.00 11.71 H new ATOM 0 HB2 LYS A 142 -15.762 51.936 9.021 1.00 12.00 H new ATOM 0 HB3 LYS A 142 -17.098 52.125 8.240 1.00 12.00 H new ATOM 0 HG2 LYS A 142 -16.317 53.795 10.395 1.00 13.29 H new ATOM 0 HG3 LYS A 142 -16.171 54.209 8.899 1.00 13.29 H new ATOM 0 HD2 LYS A 142 -18.523 54.156 8.647 1.00 16.70 H new ATOM 0 HD3 LYS A 142 -18.678 53.719 10.136 1.00 16.70 H new ATOM 0 HE2 LYS A 142 -17.848 55.775 10.875 1.00 19.11 H new ATOM 0 HE3 LYS A 142 -17.523 56.206 9.412 1.00 19.11 H new ATOM 0 HZ1 LYS A 142 -19.496 57.132 10.171 1.00 21.59 H new ATOM 0 HZ2 LYS A 142 -19.739 56.344 8.975 1.00 21.59 H new ATOM 0 HZ3 LYS A 142 -20.094 55.813 10.280 1.00 21.59 H new ATOM 1005 N CYS A 143 -18.491 49.585 8.795 1.00 12.00 N ATOM 1006 CA CYS A 143 -18.717 48.265 8.218 1.00 12.42 C ATOM 1007 C CYS A 143 -18.888 48.286 6.704 1.00 12.42 C ATOM 1008 O CYS A 143 -19.270 49.301 6.123 1.00 13.55 O ATOM 1009 CB CYS A 143 -19.956 47.639 8.869 1.00 12.72 C ATOM 1010 SG CYS A 143 -19.570 46.833 10.449 1.00 12.72 S ATOM 0 H CYS A 143 -19.098 50.159 8.593 1.00 12.00 H new ATOM 0 HA CYS A 143 -17.924 47.736 8.398 1.00 12.42 H new ATOM 0 HB2 CYS A 143 -20.625 48.326 9.014 1.00 12.72 H new ATOM 0 HB3 CYS A 143 -20.344 46.989 8.263 1.00 12.72 H new ATOM 1011 N LEU A 144 -18.599 47.151 6.074 1.00 12.91 N ATOM 1012 CA LEU A 144 -18.730 47.009 4.631 1.00 12.66 C ATOM 1013 C LEU A 144 -18.991 45.561 4.250 1.00 13.30 C ATOM 1014 O LEU A 144 -18.245 44.661 4.639 1.00 12.56 O ATOM 1015 CB LEU A 144 -17.462 47.486 3.918 1.00 13.72 C ATOM 1016 CG LEU A 144 -17.446 47.254 2.403 1.00 15.98 C ATOM 1017 CD1 LEU A 144 -18.453 48.178 1.740 1.00 16.55 C ATOM 1018 CD2 LEU A 144 -16.054 47.508 1.853 1.00 17.71 C ATOM 0 H LEU A 144 -18.321 46.442 6.473 1.00 12.91 H new ATOM 0 HA LEU A 144 -19.482 47.556 4.354 1.00 12.66 H new ATOM 0 HB2 LEU A 144 -17.349 48.434 4.088 1.00 13.72 H new ATOM 0 HB3 LEU A 144 -16.698 47.035 4.309 1.00 13.72 H new ATOM 0 HG LEU A 144 -17.688 46.334 2.215 1.00 15.98 H new ATOM 0 HD11 LEU A 144 -18.444 48.032 0.781 1.00 16.55 H new ATOM 0 HD12 LEU A 144 -19.340 47.992 2.086 1.00 16.55 H new ATOM 0 HD13 LEU A 144 -18.219 49.100 1.929 1.00 16.55 H new ATOM 0 HD21 LEU A 144 -16.052 47.359 0.894 1.00 17.71 H new ATOM 0 HD22 LEU A 144 -15.795 48.424 2.038 1.00 17.71 H new ATOM 0 HD23 LEU A 144 -15.424 46.903 2.275 1.00 17.71 H new ATOM 1019 N LYS A 145 -20.059 45.337 3.494 1.00 13.14 N ATOM 1020 CA LYS A 145 -20.381 44.000 3.026 1.00 14.50 C ATOM 1021 C LYS A 145 -19.751 43.919 1.644 1.00 13.97 C ATOM 1022 O LYS A 145 -19.996 44.774 0.793 1.00 14.73 O ATOM 1023 CB LYS A 145 -21.897 43.800 2.934 1.00 15.31 C ATOM 1024 CG LYS A 145 -22.604 43.859 4.280 1.00 19.80 C ATOM 1025 CD LYS A 145 -24.080 43.499 4.162 1.00 22.75 C ATOM 1026 CE LYS A 145 -24.272 42.069 3.677 1.00 25.83 C ATOM 1027 NZ LYS A 145 -25.711 41.678 3.652 1.00 27.41 N ATOM 0 H LYS A 145 -20.609 45.948 3.242 1.00 13.14 H new ATOM 0 HA LYS A 145 -20.052 43.314 3.628 1.00 14.50 H new ATOM 0 HB2 LYS A 145 -22.270 44.480 2.351 1.00 15.31 H new ATOM 0 HB3 LYS A 145 -22.078 42.942 2.520 1.00 15.31 H new ATOM 0 HG2 LYS A 145 -22.171 43.250 4.899 1.00 19.80 H new ATOM 0 HG3 LYS A 145 -22.518 44.751 4.652 1.00 19.80 H new ATOM 0 HD2 LYS A 145 -24.510 43.609 5.024 1.00 22.75 H new ATOM 0 HD3 LYS A 145 -24.515 44.111 3.548 1.00 22.75 H new ATOM 0 HE2 LYS A 145 -23.897 41.977 2.787 1.00 25.83 H new ATOM 0 HE3 LYS A 145 -23.783 41.463 4.256 1.00 25.83 H new ATOM 0 HZ1 LYS A 145 -25.786 40.839 3.365 1.00 27.41 H new ATOM 0 HZ2 LYS A 145 -26.050 41.742 4.472 1.00 27.41 H new ATOM 0 HZ3 LYS A 145 -26.157 42.220 3.104 1.00 27.41 H new ATOM 1028 N ALA A 146 -18.919 42.908 1.426 1.00 13.10 N ATOM 1029 CA ALA A 146 -18.249 42.759 0.143 1.00 12.94 C ATOM 1030 C ALA A 146 -18.019 41.294 -0.188 1.00 12.11 C ATOM 1031 O ALA A 146 -17.741 40.481 0.693 1.00 12.84 O ATOM 1032 CB ALA A 146 -16.914 43.504 0.162 1.00 15.17 C ATOM 0 H ALA A 146 -18.730 42.301 2.005 1.00 13.10 H new ATOM 0 HA ALA A 146 -18.821 43.139 -0.543 1.00 12.94 H new ATOM 0 HB1 ALA A 146 -16.473 43.400 -0.696 1.00 15.17 H new ATOM 0 HB2 ALA A 146 -17.071 44.446 0.333 1.00 15.17 H new ATOM 0 HB3 ALA A 146 -16.349 43.139 0.861 1.00 15.17 H new ATOM 1033 N PRO A 147 -18.136 40.940 -1.474 1.00 11.68 N ATOM 1034 CA PRO A 147 -17.941 39.565 -1.926 1.00 11.59 C ATOM 1035 C PRO A 147 -16.488 39.232 -2.245 1.00 11.73 C ATOM 1036 O PRO A 147 -15.710 40.091 -2.669 1.00 11.72 O ATOM 1037 CB PRO A 147 -18.813 39.498 -3.171 1.00 12.60 C ATOM 1038 CG PRO A 147 -18.582 40.859 -3.772 1.00 12.34 C ATOM 1039 CD PRO A 147 -18.667 41.782 -2.564 1.00 11.64 C ATOM 0 HA PRO A 147 -18.176 38.918 -1.242 1.00 11.59 H new ATOM 0 HB2 PRO A 147 -18.542 38.784 -3.769 1.00 12.60 H new ATOM 0 HB3 PRO A 147 -19.747 39.348 -2.955 1.00 12.60 H new ATOM 0 HG2 PRO A 147 -17.718 40.917 -4.209 1.00 12.34 H new ATOM 0 HG3 PRO A 147 -19.252 41.076 -4.439 1.00 12.34 H new ATOM 0 HD2 PRO A 147 -18.139 42.587 -2.687 1.00 11.64 H new ATOM 0 HD3 PRO A 147 -19.578 42.064 -2.390 1.00 11.64 H new ATOM 1040 N ILE A 148 -16.122 37.977 -2.023 1.00 11.39 N ATOM 1041 CA ILE A 148 -14.783 37.525 -2.350 1.00 11.06 C ATOM 1042 C ILE A 148 -14.753 37.487 -3.873 1.00 11.90 C ATOM 1043 O ILE A 148 -15.700 37.014 -4.508 1.00 13.25 O ATOM 1044 CB ILE A 148 -14.518 36.112 -1.786 1.00 10.51 C ATOM 1045 CG1 ILE A 148 -14.501 36.166 -0.257 1.00 11.74 C ATOM 1046 CG2 ILE A 148 -13.200 35.567 -2.326 1.00 9.51 C ATOM 1047 CD1 ILE A 148 -14.284 34.817 0.403 1.00 14.37 C ATOM 0 H ILE A 148 -16.634 37.374 -1.685 1.00 11.39 H new ATOM 0 HA ILE A 148 -14.105 38.107 -1.971 1.00 11.06 H new ATOM 0 HB ILE A 148 -15.228 35.514 -2.068 1.00 10.51 H new ATOM 0 HG12 ILE A 148 -13.800 36.773 0.029 1.00 11.74 H new ATOM 0 HG13 ILE A 148 -15.341 36.537 0.054 1.00 11.74 H new ATOM 0 HG21 ILE A 148 -13.044 34.680 -1.965 1.00 9.51 H new ATOM 0 HG22 ILE A 148 -13.242 35.519 -3.294 1.00 9.51 H new ATOM 0 HG23 ILE A 148 -12.475 36.155 -2.063 1.00 9.51 H new ATOM 0 HD11 ILE A 148 -14.284 34.924 1.367 1.00 14.37 H new ATOM 0 HD12 ILE A 148 -14.997 34.212 0.145 1.00 14.37 H new ATOM 0 HD13 ILE A 148 -13.432 34.451 0.119 1.00 14.37 H new ATOM 1048 N LEU A 149 -13.681 37.996 -4.463 1.00 11.39 N ATOM 1049 CA LEU A 149 -13.562 38.019 -5.911 1.00 12.48 C ATOM 1050 C LEU A 149 -12.808 36.801 -6.421 1.00 12.57 C ATOM 1051 O LEU A 149 -12.081 36.150 -5.672 1.00 13.31 O ATOM 1052 CB LEU A 149 -12.845 39.298 -6.350 1.00 13.91 C ATOM 1053 CG LEU A 149 -13.557 40.600 -5.969 1.00 15.31 C ATOM 1054 CD1 LEU A 149 -12.677 41.788 -6.313 1.00 18.22 C ATOM 1055 CD2 LEU A 149 -14.894 40.694 -6.697 1.00 17.39 C ATOM 0 H LEU A 149 -13.011 38.333 -4.042 1.00 11.39 H new ATOM 0 HA LEU A 149 -14.455 38.000 -6.290 1.00 12.48 H new ATOM 0 HB2 LEU A 149 -11.956 39.305 -5.961 1.00 13.91 H new ATOM 0 HB3 LEU A 149 -12.733 39.276 -7.313 1.00 13.91 H new ATOM 0 HG LEU A 149 -13.725 40.606 -5.014 1.00 15.31 H new ATOM 0 HD11 LEU A 149 -13.132 42.609 -6.070 1.00 18.22 H new ATOM 0 HD12 LEU A 149 -11.842 41.725 -5.824 1.00 18.22 H new ATOM 0 HD13 LEU A 149 -12.494 41.790 -7.266 1.00 18.22 H new ATOM 0 HD21 LEU A 149 -15.339 41.520 -6.451 1.00 17.39 H new ATOM 0 HD22 LEU A 149 -14.743 40.681 -7.655 1.00 17.39 H new ATOM 0 HD23 LEU A 149 -15.452 39.940 -6.448 1.00 17.39 H new ATOM 1056 N SER A 150 -12.995 36.486 -7.698 1.00 13.75 N ATOM 1057 CA SER A 150 -12.309 35.353 -8.298 1.00 13.90 C ATOM 1058 C SER A 150 -10.808 35.619 -8.248 1.00 13.80 C ATOM 1059 O SER A 150 -10.365 36.764 -8.337 1.00 13.16 O ATOM 1060 CB SER A 150 -12.748 35.172 -9.755 1.00 13.96 C ATOM 1061 OG SER A 150 -12.348 36.274 -10.549 1.00 16.96 O ATOM 0 H SER A 150 -13.514 36.916 -8.232 1.00 13.75 H new ATOM 0 HA SER A 150 -12.528 34.544 -7.809 1.00 13.90 H new ATOM 0 HB2 SER A 150 -12.364 34.356 -10.112 1.00 13.96 H new ATOM 0 HB3 SER A 150 -13.712 35.074 -9.795 1.00 13.96 H new ATOM 0 HG SER A 150 -11.907 35.999 -11.209 1.00 16.96 H new ATOM 1062 N ASP A 151 -10.022 34.562 -8.099 1.00 16.80 N ATOM 1063 CA ASP A 151 -8.582 34.734 -8.046 1.00 17.69 C ATOM 1064 C ASP A 151 -8.062 35.329 -9.349 1.00 16.78 C ATOM 1065 O ASP A 151 -7.074 36.058 -9.347 1.00 16.19 O ATOM 1066 CB ASP A 151 -7.892 33.400 -7.754 1.00 21.93 C ATOM 1067 CG ASP A 151 -8.211 32.876 -6.367 1.00 24.75 C ATOM 1068 OD1 ASP A 151 -8.093 33.655 -5.396 1.00 26.50 O ATOM 1069 OD2 ASP A 151 -8.578 31.689 -6.244 1.00 27.44 O ATOM 0 H ASP A 151 -10.298 33.750 -8.028 1.00 16.80 H new ATOM 0 HA ASP A 151 -8.376 35.351 -7.326 1.00 17.69 H new ATOM 0 HB2 ASP A 151 -8.166 32.745 -8.415 1.00 21.93 H new ATOM 0 HB3 ASP A 151 -6.932 33.509 -7.843 1.00 21.93 H new ATOM 1070 N SER A 152 -8.733 35.033 -10.459 1.00 16.76 N ATOM 1071 CA SER A 152 -8.305 35.570 -11.747 1.00 16.50 C ATOM 1072 C SER A 152 -8.481 37.089 -11.794 1.00 16.37 C ATOM 1073 O SER A 152 -7.607 37.803 -12.284 1.00 16.95 O ATOM 1074 CB SER A 152 -9.078 34.904 -12.893 1.00 17.76 C ATOM 1075 OG SER A 152 -10.476 35.093 -12.765 1.00 20.21 O ATOM 0 H SER A 152 -9.430 34.530 -10.489 1.00 16.76 H new ATOM 0 HA SER A 152 -7.362 35.372 -11.855 1.00 16.50 H new ATOM 0 HB2 SER A 152 -8.779 35.269 -13.740 1.00 17.76 H new ATOM 0 HB3 SER A 152 -8.880 33.955 -12.908 1.00 17.76 H new ATOM 0 HG SER A 152 -10.783 34.544 -12.208 1.00 20.21 H new ATOM 1076 N SER A 153 -9.602 37.589 -11.279 1.00 15.71 N ATOM 1077 CA SER A 153 -9.832 39.031 -11.275 1.00 15.85 C ATOM 1078 C SER A 153 -8.832 39.699 -10.330 1.00 13.76 C ATOM 1079 O SER A 153 -8.385 40.819 -10.566 1.00 14.97 O ATOM 1080 CB SER A 153 -11.264 39.351 -10.831 1.00 18.19 C ATOM 1081 OG SER A 153 -11.478 39.018 -9.472 1.00 22.75 O ATOM 0 H SER A 153 -10.233 37.119 -10.932 1.00 15.71 H new ATOM 0 HA SER A 153 -9.710 39.371 -12.175 1.00 15.85 H new ATOM 0 HB2 SER A 153 -11.441 40.295 -10.965 1.00 18.19 H new ATOM 0 HB3 SER A 153 -11.892 38.863 -11.387 1.00 18.19 H new ATOM 0 HG SER A 153 -11.083 38.299 -9.294 1.00 22.75 H new ATOM 1082 N CYS A 154 -8.484 38.990 -9.262 1.00 12.82 N ATOM 1083 CA CYS A 154 -7.534 39.481 -8.269 1.00 12.10 C ATOM 1084 C CYS A 154 -6.143 39.602 -8.875 1.00 12.27 C ATOM 1085 O CYS A 154 -5.500 40.645 -8.781 1.00 11.76 O ATOM 1086 CB CYS A 154 -7.483 38.504 -7.097 1.00 11.71 C ATOM 1087 SG CYS A 154 -6.652 39.039 -5.562 1.00 12.10 S ATOM 0 H CYS A 154 -8.794 38.206 -9.092 1.00 12.82 H new ATOM 0 HA CYS A 154 -7.823 40.356 -7.966 1.00 12.10 H new ATOM 0 HB2 CYS A 154 -8.395 38.264 -6.872 1.00 11.71 H new ATOM 0 HB3 CYS A 154 -7.045 37.695 -7.405 1.00 11.71 H new ATOM 1088 N LYS A 155 -5.682 38.520 -9.492 1.00 13.08 N ATOM 1089 CA LYS A 155 -4.361 38.497 -10.101 1.00 13.44 C ATOM 1090 C LYS A 155 -4.231 39.434 -11.297 1.00 13.38 C ATOM 1091 O LYS A 155 -3.149 39.951 -11.568 1.00 13.92 O ATOM 1092 CB LYS A 155 -4.002 37.060 -10.490 1.00 12.57 C ATOM 1093 CG LYS A 155 -3.781 36.163 -9.275 1.00 13.49 C ATOM 1094 CD LYS A 155 -3.562 34.704 -9.643 1.00 15.20 C ATOM 1095 CE LYS A 155 -3.360 33.866 -8.388 1.00 16.31 C ATOM 1096 NZ LYS A 155 -3.280 32.411 -8.684 1.00 17.03 N ATOM 0 H LYS A 155 -6.122 37.785 -9.569 1.00 13.08 H new ATOM 0 HA LYS A 155 -3.733 38.826 -9.439 1.00 13.44 H new ATOM 0 HB2 LYS A 155 -4.712 36.689 -11.037 1.00 12.57 H new ATOM 0 HB3 LYS A 155 -3.199 37.066 -11.034 1.00 12.57 H new ATOM 0 HG2 LYS A 155 -3.013 36.484 -8.778 1.00 13.49 H new ATOM 0 HG3 LYS A 155 -4.549 36.231 -8.686 1.00 13.49 H new ATOM 0 HD2 LYS A 155 -4.325 34.372 -10.142 1.00 15.20 H new ATOM 0 HD3 LYS A 155 -2.788 34.623 -10.222 1.00 15.20 H new ATOM 0 HE2 LYS A 155 -2.546 34.148 -7.942 1.00 16.31 H new ATOM 0 HE3 LYS A 155 -4.092 34.028 -7.773 1.00 16.31 H new ATOM 0 HZ1 LYS A 155 -2.808 32.004 -8.049 1.00 17.03 H new ATOM 0 HZ2 LYS A 155 -4.101 32.067 -8.709 1.00 17.03 H new ATOM 0 HZ3 LYS A 155 -2.883 32.289 -9.471 1.00 17.03 H new ATOM 1097 N SER A 156 -5.330 39.664 -12.006 1.00 15.01 N ATOM 1098 CA SER A 156 -5.296 40.562 -13.156 1.00 17.14 C ATOM 1099 C SER A 156 -5.077 42.001 -12.698 1.00 18.67 C ATOM 1100 O SER A 156 -4.403 42.783 -13.368 1.00 19.56 O ATOM 1101 CB SER A 156 -6.603 40.469 -13.949 1.00 17.55 C ATOM 1102 OG SER A 156 -6.739 39.201 -14.564 1.00 20.87 O ATOM 0 H SER A 156 -6.098 39.315 -11.841 1.00 15.01 H new ATOM 0 HA SER A 156 -4.560 40.294 -13.728 1.00 17.14 H new ATOM 0 HB2 SER A 156 -7.355 40.627 -13.357 1.00 17.55 H new ATOM 0 HB3 SER A 156 -6.624 41.164 -14.626 1.00 17.55 H new ATOM 0 HG SER A 156 -6.908 38.622 -13.979 1.00 20.87 H new ATOM 1103 N ALA A 157 -5.648 42.342 -11.548 1.00 18.33 N ATOM 1104 CA ALA A 157 -5.517 43.685 -10.995 1.00 17.93 C ATOM 1105 C ALA A 157 -4.114 43.925 -10.447 1.00 17.52 C ATOM 1106 O ALA A 157 -3.607 45.047 -10.493 1.00 19.21 O ATOM 1107 CB ALA A 157 -6.549 43.898 -9.895 1.00 17.83 C ATOM 0 H ALA A 157 -6.119 41.805 -11.069 1.00 18.33 H new ATOM 0 HA ALA A 157 -5.673 44.321 -11.711 1.00 17.93 H new ATOM 0 HB1 ALA A 157 -6.456 44.793 -9.532 1.00 17.83 H new ATOM 0 HB2 ALA A 157 -7.440 43.790 -10.262 1.00 17.83 H new ATOM 0 HB3 ALA A 157 -6.409 43.247 -9.189 1.00 17.83 H new ATOM 1108 N TYR A 158 -3.489 42.874 -9.927 1.00 16.51 N ATOM 1109 CA TYR A 158 -2.146 42.985 -9.364 1.00 16.27 C ATOM 1110 C TYR A 158 -1.225 41.900 -9.917 1.00 18.25 C ATOM 1111 O TYR A 158 -0.830 40.978 -9.203 1.00 16.84 O ATOM 1112 CB TYR A 158 -2.205 42.877 -7.836 1.00 14.06 C ATOM 1113 CG TYR A 158 -3.142 43.866 -7.177 1.00 13.07 C ATOM 1114 CD1 TYR A 158 -4.420 43.488 -6.777 1.00 12.53 C ATOM 1115 CD2 TYR A 158 -2.749 45.179 -6.952 1.00 12.80 C ATOM 1116 CE1 TYR A 158 -5.277 44.390 -6.170 1.00 12.66 C ATOM 1117 CE2 TYR A 158 -3.594 46.085 -6.350 1.00 12.73 C ATOM 1118 CZ TYR A 158 -4.857 45.688 -5.959 1.00 11.81 C ATOM 1119 OH TYR A 158 -5.700 46.590 -5.355 1.00 12.77 O ATOM 0 H TYR A 158 -3.826 42.084 -9.890 1.00 16.51 H new ATOM 0 HA TYR A 158 -1.788 43.851 -9.616 1.00 16.27 H new ATOM 0 HB2 TYR A 158 -2.480 41.978 -7.596 1.00 14.06 H new ATOM 0 HB3 TYR A 158 -1.312 43.006 -7.479 1.00 14.06 H new ATOM 0 HD1 TYR A 158 -4.703 42.614 -6.920 1.00 12.53 H new ATOM 0 HD2 TYR A 158 -1.899 45.452 -7.213 1.00 12.80 H new ATOM 0 HE1 TYR A 158 -6.128 44.124 -5.907 1.00 12.66 H new ATOM 0 HE2 TYR A 158 -3.315 46.961 -6.208 1.00 12.73 H new ATOM 0 HH TYR A 158 -6.259 46.178 -4.882 1.00 12.77 H new ATOM 1120 N PRO A 159 -0.863 42.005 -11.204 1.00 19.18 N ATOM 1121 CA PRO A 159 0.012 41.046 -11.887 1.00 20.20 C ATOM 1122 C PRO A 159 1.299 40.715 -11.133 1.00 19.83 C ATOM 1123 O PRO A 159 2.063 41.609 -10.768 1.00 22.36 O ATOM 1124 CB PRO A 159 0.287 41.732 -13.223 1.00 20.50 C ATOM 1125 CG PRO A 159 -0.975 42.489 -13.471 1.00 20.48 C ATOM 1126 CD PRO A 159 -1.258 43.093 -12.116 1.00 20.96 C ATOM 0 HA PRO A 159 -0.407 40.175 -11.970 1.00 20.20 H new ATOM 0 HB2 PRO A 159 1.056 42.321 -13.174 1.00 20.50 H new ATOM 0 HB3 PRO A 159 0.466 41.090 -13.927 1.00 20.50 H new ATOM 0 HG2 PRO A 159 -0.861 43.169 -14.154 1.00 20.48 H new ATOM 0 HG3 PRO A 159 -1.694 41.908 -13.766 1.00 20.48 H new ATOM 0 HD2 PRO A 159 -0.741 43.900 -11.963 1.00 20.96 H new ATOM 0 HD3 PRO A 159 -2.193 43.331 -12.013 1.00 20.96 H new ATOM 1127 N GLY A 160 1.525 39.423 -10.905 1.00 19.50 N ATOM 1128 CA GLY A 160 2.723 38.970 -10.216 1.00 19.50 C ATOM 1129 C GLY A 160 2.860 39.350 -8.752 1.00 18.79 C ATOM 1130 O GLY A 160 3.928 39.169 -8.166 1.00 19.96 O ATOM 0 H GLY A 160 0.992 38.792 -11.144 1.00 19.50 H new ATOM 0 HA2 GLY A 160 2.761 38.003 -10.282 1.00 19.50 H new ATOM 0 HA3 GLY A 160 3.494 39.317 -10.691 1.00 19.50 H new ATOM 1131 N GLN A 161 1.788 39.858 -8.151 1.00 16.97 N ATOM 1132 CA GLN A 161 1.826 40.262 -6.747 1.00 15.85 C ATOM 1133 C GLN A 161 0.974 39.407 -5.816 1.00 14.78 C ATOM 1134 O GLN A 161 1.166 39.422 -4.600 1.00 15.02 O ATOM 1135 CB GLN A 161 1.372 41.708 -6.609 1.00 16.95 C ATOM 1136 CG GLN A 161 2.334 42.735 -7.142 1.00 20.27 C ATOM 1137 CD GLN A 161 1.776 44.125 -6.990 1.00 23.14 C ATOM 1138 OE1 GLN A 161 0.904 44.540 -7.753 1.00 27.11 O ATOM 1139 NE2 GLN A 161 2.249 44.847 -5.983 1.00 21.67 N ATOM 0 H GLN A 161 1.029 39.977 -8.537 1.00 16.97 H new ATOM 0 HA GLN A 161 2.750 40.144 -6.476 1.00 15.85 H new ATOM 0 HB2 GLN A 161 0.524 41.811 -7.068 1.00 16.95 H new ATOM 0 HB3 GLN A 161 1.211 41.893 -5.671 1.00 16.95 H new ATOM 0 HG2 GLN A 161 3.179 42.668 -6.670 1.00 20.27 H new ATOM 0 HG3 GLN A 161 2.517 42.557 -8.078 1.00 20.27 H new ATOM 0 HE21 GLN A 161 2.859 44.523 -5.471 1.00 21.67 H new ATOM 0 HE22 GLN A 161 1.946 45.639 -5.842 1.00 21.67 H new ATOM 1140 N ILE A 162 0.025 38.672 -6.377 1.00 12.77 N ATOM 1141 CA ILE A 162 -0.858 37.846 -5.564 1.00 11.44 C ATOM 1142 C ILE A 162 -0.320 36.433 -5.386 1.00 12.06 C ATOM 1143 O ILE A 162 0.063 35.779 -6.357 1.00 12.93 O ATOM 1144 CB ILE A 162 -2.263 37.758 -6.200 1.00 10.79 C ATOM 1145 CG1 ILE A 162 -2.843 39.161 -6.384 1.00 10.79 C ATOM 1146 CG2 ILE A 162 -3.182 36.920 -5.331 1.00 10.70 C ATOM 1147 CD1 ILE A 162 -2.919 39.984 -5.099 1.00 12.47 C ATOM 0 H ILE A 162 -0.125 38.636 -7.223 1.00 12.77 H new ATOM 0 HA ILE A 162 -0.909 38.273 -4.694 1.00 11.44 H new ATOM 0 HB ILE A 162 -2.187 37.334 -7.069 1.00 10.79 H new ATOM 0 HG12 ILE A 162 -2.303 39.641 -7.031 1.00 10.79 H new ATOM 0 HG13 ILE A 162 -3.734 39.084 -6.760 1.00 10.79 H new ATOM 0 HG21 ILE A 162 -4.060 36.872 -5.740 1.00 10.70 H new ATOM 0 HG22 ILE A 162 -2.818 36.025 -5.243 1.00 10.70 H new ATOM 0 HG23 ILE A 162 -3.257 37.326 -4.453 1.00 10.70 H new ATOM 0 HD11 ILE A 162 -3.295 40.856 -5.295 1.00 12.47 H new ATOM 0 HD12 ILE A 162 -3.482 39.527 -4.455 1.00 12.47 H new ATOM 0 HD13 ILE A 162 -2.028 40.092 -4.730 1.00 12.47 H new ATOM 1148 N THR A 163 -0.277 35.973 -4.139 1.00 10.48 N ATOM 1149 CA THR A 163 0.186 34.627 -3.829 1.00 10.82 C ATOM 1150 C THR A 163 -1.012 33.809 -3.357 1.00 10.68 C ATOM 1151 O THR A 163 -2.120 34.332 -3.198 1.00 9.79 O ATOM 1152 CB THR A 163 1.234 34.625 -2.704 1.00 10.52 C ATOM 1153 OG1 THR A 163 0.599 34.978 -1.468 1.00 11.01 O ATOM 1154 CG2 THR A 163 2.350 35.617 -3.006 1.00 12.60 C ATOM 0 H THR A 163 -0.515 36.432 -3.452 1.00 10.48 H new ATOM 0 HA THR A 163 0.592 34.255 -4.627 1.00 10.82 H new ATOM 0 HB THR A 163 1.621 33.738 -2.637 1.00 10.52 H new ATOM 0 HG1 THR A 163 1.167 34.970 -0.849 1.00 11.01 H new ATOM 0 HG21 THR A 163 3.000 35.602 -2.286 1.00 12.60 H new ATOM 0 HG22 THR A 163 2.784 35.373 -3.839 1.00 12.60 H new ATOM 0 HG23 THR A 163 1.978 36.509 -3.085 1.00 12.60 H new ATOM 1155 N SER A 164 -0.783 32.524 -3.128 1.00 10.93 N ATOM 1156 CA SER A 164 -1.842 31.641 -2.669 1.00 10.47 C ATOM 1157 C SER A 164 -2.309 32.006 -1.263 1.00 10.22 C ATOM 1158 O SER A 164 -3.314 31.481 -0.789 1.00 10.80 O ATOM 1159 CB SER A 164 -1.356 30.189 -2.682 1.00 13.27 C ATOM 1160 OG SER A 164 -0.198 30.033 -1.879 1.00 18.48 O ATOM 0 H SER A 164 -0.019 32.143 -3.233 1.00 10.93 H new ATOM 0 HA SER A 164 -2.593 31.744 -3.275 1.00 10.47 H new ATOM 0 HB2 SER A 164 -2.060 29.606 -2.357 1.00 13.27 H new ATOM 0 HB3 SER A 164 -1.161 29.918 -3.593 1.00 13.27 H new ATOM 0 HG SER A 164 -0.393 29.600 -1.186 1.00 18.48 H new ATOM 1161 N ASN A 165 -1.582 32.905 -0.602 1.00 8.90 N ATOM 1162 CA ASN A 165 -1.931 33.319 0.755 1.00 8.33 C ATOM 1163 C ASN A 165 -2.676 34.648 0.789 1.00 9.23 C ATOM 1164 O ASN A 165 -2.771 35.291 1.837 1.00 7.74 O ATOM 1165 CB ASN A 165 -0.669 33.415 1.617 1.00 10.15 C ATOM 1166 CG ASN A 165 0.076 32.101 1.699 1.00 11.27 C ATOM 1167 OD1 ASN A 165 -0.511 31.067 2.012 1.00 11.96 O ATOM 1168 ND2 ASN A 165 1.377 32.132 1.421 1.00 11.45 N ATOM 0 H ASN A 165 -0.882 33.288 -0.923 1.00 8.90 H new ATOM 0 HA ASN A 165 -2.527 32.642 1.112 1.00 8.33 H new ATOM 0 HB2 ASN A 165 -0.081 34.094 1.251 1.00 10.15 H new ATOM 0 HB3 ASN A 165 -0.912 33.702 2.511 1.00 10.15 H new ATOM 0 HD21 ASN A 165 1.842 31.409 1.457 1.00 11.45 H new ATOM 0 HD22 ASN A 165 1.753 32.875 1.206 1.00 11.45 H new ATOM 1169 N MET A 166 -3.210 35.046 -0.360 1.00 8.20 N ATOM 1170 CA MET A 166 -3.948 36.297 -0.469 1.00 8.45 C ATOM 1171 C MET A 166 -5.191 36.089 -1.318 1.00 9.05 C ATOM 1172 O MET A 166 -5.232 35.198 -2.165 1.00 10.60 O ATOM 1173 CB MET A 166 -3.096 37.368 -1.162 1.00 8.90 C ATOM 1174 CG MET A 166 -1.724 37.619 -0.576 1.00 7.91 C ATOM 1175 SD MET A 166 -0.765 38.644 -1.719 1.00 9.17 S ATOM 1176 CE MET A 166 0.833 38.631 -0.909 1.00 9.00 C ATOM 0 H MET A 166 -3.155 34.601 -1.094 1.00 8.20 H new ATOM 0 HA MET A 166 -4.182 36.582 0.428 1.00 8.45 H new ATOM 0 HB2 MET A 166 -2.988 37.115 -2.092 1.00 8.90 H new ATOM 0 HB3 MET A 166 -3.589 38.203 -1.150 1.00 8.90 H new ATOM 0 HG2 MET A 166 -1.804 38.062 0.283 1.00 7.91 H new ATOM 0 HG3 MET A 166 -1.268 36.777 -0.420 1.00 7.91 H new ATOM 0 HE1 MET A 166 1.463 39.157 -1.427 1.00 9.00 H new ATOM 0 HE2 MET A 166 0.749 39.011 -0.021 1.00 9.00 H new ATOM 0 HE3 MET A 166 1.154 37.718 -0.840 1.00 9.00 H new ATOM 1177 N PHE A 167 -6.203 36.915 -1.086 1.00 8.38 N ATOM 1178 CA PHE A 167 -7.412 36.878 -1.889 1.00 7.62 C ATOM 1179 C PHE A 167 -7.950 38.295 -1.937 1.00 8.72 C ATOM 1180 O PHE A 167 -7.637 39.118 -1.072 1.00 9.64 O ATOM 1181 CB PHE A 167 -8.449 35.885 -1.320 1.00 8.95 C ATOM 1182 CG PHE A 167 -9.137 36.343 -0.062 1.00 8.49 C ATOM 1183 CD1 PHE A 167 -10.266 37.148 -0.121 1.00 9.06 C ATOM 1184 CD2 PHE A 167 -8.687 35.923 1.180 1.00 9.48 C ATOM 1185 CE1 PHE A 167 -10.933 37.519 1.036 1.00 9.00 C ATOM 1186 CE2 PHE A 167 -9.351 36.294 2.341 1.00 8.73 C ATOM 1187 CZ PHE A 167 -10.476 37.091 2.266 1.00 9.06 C ATOM 0 H PHE A 167 -6.207 37.508 -0.463 1.00 8.38 H new ATOM 0 HA PHE A 167 -7.217 36.559 -2.784 1.00 7.62 H new ATOM 0 HB2 PHE A 167 -9.122 35.715 -1.998 1.00 8.95 H new ATOM 0 HB3 PHE A 167 -8.006 35.041 -1.142 1.00 8.95 H new ATOM 0 HD1 PHE A 167 -10.579 37.442 -0.946 1.00 9.06 H new ATOM 0 HD2 PHE A 167 -7.930 35.385 1.236 1.00 9.48 H new ATOM 0 HE1 PHE A 167 -11.690 38.057 0.983 1.00 9.00 H new ATOM 0 HE2 PHE A 167 -9.039 36.006 3.168 1.00 8.73 H new ATOM 0 HZ PHE A 167 -10.925 37.339 3.042 1.00 9.06 H new ATOM 1188 N CYS A 168 -8.720 38.600 -2.973 1.00 8.33 N ATOM 1189 CA CYS A 168 -9.292 39.929 -3.107 1.00 8.96 C ATOM 1190 C CYS A 168 -10.782 39.891 -2.793 1.00 9.11 C ATOM 1191 O CYS A 168 -11.452 38.868 -2.974 1.00 9.16 O ATOM 1192 CB CYS A 168 -9.127 40.461 -4.528 1.00 9.63 C ATOM 1193 SG CYS A 168 -7.463 40.854 -5.161 1.00 10.87 S ATOM 0 H CYS A 168 -8.922 38.054 -3.606 1.00 8.33 H new ATOM 0 HA CYS A 168 -8.824 40.509 -2.486 1.00 8.96 H new ATOM 0 HB2 CYS A 168 -9.518 39.808 -5.129 1.00 9.63 H new ATOM 0 HB3 CYS A 168 -9.661 41.267 -4.599 1.00 9.63 H new ATOM 1194 N ALA A 169 -11.292 41.021 -2.325 1.00 9.03 N ATOM 1195 CA ALA A 169 -12.705 41.154 -2.009 1.00 10.25 C ATOM 1196 C ALA A 169 -13.083 42.604 -2.255 1.00 11.33 C ATOM 1197 O ALA A 169 -12.243 43.504 -2.144 1.00 12.41 O ATOM 1198 CB ALA A 169 -12.967 40.774 -0.556 1.00 10.56 C ATOM 0 H ALA A 169 -10.829 41.732 -2.182 1.00 9.03 H new ATOM 0 HA ALA A 169 -13.237 40.561 -2.563 1.00 10.25 H new ATOM 0 HB1 ALA A 169 -13.913 40.868 -0.362 1.00 10.56 H new ATOM 0 HB2 ALA A 169 -12.697 39.854 -0.408 1.00 10.56 H new ATOM 0 HB3 ALA A 169 -12.458 41.358 0.028 1.00 10.56 H new ATOM 1199 N GLY A 170 -14.340 42.832 -2.608 1.00 13.00 N ATOM 1200 CA GLY A 170 -14.772 44.193 -2.851 1.00 14.69 C ATOM 1201 C GLY A 170 -15.514 44.340 -4.159 1.00 15.38 C ATOM 1202 O GLY A 170 -16.172 43.404 -4.618 1.00 16.03 O ATOM 0 H GLY A 170 -14.943 42.228 -2.710 1.00 13.00 H new ATOM 0 HA2 GLY A 170 -15.345 44.482 -2.123 1.00 14.69 H new ATOM 0 HA3 GLY A 170 -13.999 44.779 -2.854 1.00 14.69 H new ATOM 1203 N TYR A 171 -15.403 45.519 -4.763 1.00 16.73 N ATOM 1204 CA TYR A 171 -16.083 45.803 -6.019 1.00 17.20 C ATOM 1205 C TYR A 171 -15.139 46.439 -7.033 1.00 18.62 C ATOM 1206 O TYR A 171 -14.526 47.474 -6.763 1.00 18.19 O ATOM 1207 CB TYR A 171 -17.274 46.730 -5.761 1.00 17.66 C ATOM 1208 CG TYR A 171 -18.211 46.217 -4.688 1.00 17.57 C ATOM 1209 CD1 TYR A 171 -17.901 46.352 -3.338 1.00 18.09 C ATOM 1210 CD2 TYR A 171 -19.385 45.561 -5.027 1.00 19.31 C ATOM 1211 CE1 TYR A 171 -18.737 45.843 -2.358 1.00 18.81 C ATOM 1212 CE2 TYR A 171 -20.225 45.048 -4.056 1.00 18.89 C ATOM 1213 CZ TYR A 171 -19.896 45.191 -2.725 1.00 18.65 C ATOM 1214 OH TYR A 171 -20.733 44.675 -1.761 1.00 20.35 O ATOM 0 H TYR A 171 -14.934 46.172 -4.458 1.00 16.73 H new ATOM 0 HA TYR A 171 -16.396 44.963 -6.390 1.00 17.20 H new ATOM 0 HB2 TYR A 171 -16.945 47.605 -5.503 1.00 17.66 H new ATOM 0 HB3 TYR A 171 -17.770 46.846 -6.586 1.00 17.66 H new ATOM 0 HD1 TYR A 171 -17.120 46.791 -3.090 1.00 18.09 H new ATOM 0 HD2 TYR A 171 -19.611 45.464 -5.924 1.00 19.31 H new ATOM 0 HE1 TYR A 171 -18.519 45.940 -1.459 1.00 18.81 H new ATOM 0 HE2 TYR A 171 -21.008 44.609 -4.300 1.00 18.89 H new ATOM 0 HH TYR A 171 -20.347 44.694 -1.015 1.00 20.35 H new ATOM 1215 N LEU A 172 -15.028 45.815 -8.201 1.00 18.91 N ATOM 1216 CA LEU A 172 -14.153 46.316 -9.252 1.00 19.52 C ATOM 1217 C LEU A 172 -14.580 47.687 -9.772 1.00 20.01 C ATOM 1218 O LEU A 172 -13.766 48.419 -10.334 1.00 19.99 O ATOM 1219 CB LEU A 172 -14.093 45.316 -10.411 1.00 19.56 C ATOM 1220 CG LEU A 172 -13.544 43.932 -10.051 1.00 19.54 C ATOM 1221 CD1 LEU A 172 -13.502 43.054 -11.290 1.00 19.62 C ATOM 1222 CD2 LEU A 172 -12.154 44.073 -9.453 1.00 20.69 C ATOM 0 H LEU A 172 -15.454 45.096 -8.405 1.00 18.91 H new ATOM 0 HA LEU A 172 -13.272 46.420 -8.859 1.00 19.52 H new ATOM 0 HB2 LEU A 172 -14.986 45.209 -10.774 1.00 19.56 H new ATOM 0 HB3 LEU A 172 -13.544 45.693 -11.116 1.00 19.56 H new ATOM 0 HG LEU A 172 -14.126 43.515 -9.396 1.00 19.54 H new ATOM 0 HD11 LEU A 172 -13.154 42.180 -11.056 1.00 19.62 H new ATOM 0 HD12 LEU A 172 -14.398 42.959 -11.650 1.00 19.62 H new ATOM 0 HD13 LEU A 172 -12.928 43.462 -11.957 1.00 19.62 H new ATOM 0 HD21 LEU A 172 -11.809 43.195 -9.226 1.00 20.69 H new ATOM 0 HD22 LEU A 172 -11.565 44.495 -10.098 1.00 20.69 H new ATOM 0 HD23 LEU A 172 -12.200 44.619 -8.653 1.00 20.69 H new ATOM 1223 N GLU A 173 -15.851 48.036 -9.588 1.00 21.08 N ATOM 1224 CA GLU A 173 -16.339 49.330 -10.054 1.00 22.17 C ATOM 1225 C GLU A 173 -15.830 50.453 -9.155 1.00 22.51 C ATOM 1226 O GLU A 173 -15.870 51.624 -9.532 1.00 23.19 O ATOM 1227 CB GLU A 173 -17.870 49.360 -10.085 1.00 23.43 C ATOM 1228 CG GLU A 173 -18.529 49.200 -8.726 1.00 26.24 C ATOM 1229 CD GLU A 173 -19.055 47.799 -8.495 1.00 27.85 C ATOM 1230 OE1 GLU A 173 -18.288 46.832 -8.687 1.00 28.59 O ATOM 1231 OE2 GLU A 173 -20.239 47.668 -8.116 1.00 28.27 O ATOM 0 H GLU A 173 -16.440 47.544 -9.200 1.00 21.08 H new ATOM 0 HA GLU A 173 -16.003 49.463 -10.954 1.00 22.17 H new ATOM 0 HB2 GLU A 173 -18.158 50.200 -10.475 1.00 23.43 H new ATOM 0 HB3 GLU A 173 -18.185 48.653 -10.670 1.00 23.43 H new ATOM 0 HG2 GLU A 173 -17.888 49.420 -8.032 1.00 26.24 H new ATOM 0 HG3 GLU A 173 -19.260 49.833 -8.648 1.00 26.24 H new ATOM 1232 N GLY A 174 -15.354 50.087 -7.967 1.00 22.15 N ATOM 1233 CA GLY A 174 -14.843 51.077 -7.035 1.00 21.62 C ATOM 1234 C GLY A 174 -15.921 51.669 -6.147 1.00 20.64 C ATOM 1235 O GLY A 174 -17.103 51.369 -6.314 1.00 22.16 O ATOM 0 H GLY A 174 -15.320 49.275 -7.686 1.00 22.15 H new ATOM 0 HA2 GLY A 174 -14.161 50.668 -6.479 1.00 21.62 H new ATOM 0 HA3 GLY A 174 -14.413 51.790 -7.532 1.00 21.62 H new ATOM 1236 N GLY A 175 -15.514 52.507 -5.197 1.00 19.19 N ATOM 1237 CA GLY A 175 -16.469 53.137 -4.303 1.00 18.04 C ATOM 1238 C GLY A 175 -16.612 52.493 -2.934 1.00 17.36 C ATOM 1239 O GLY A 175 -16.995 53.162 -1.975 1.00 17.25 O ATOM 0 H GLY A 175 -14.693 52.721 -5.057 1.00 19.19 H new ATOM 0 HA2 GLY A 175 -16.210 54.064 -4.181 1.00 18.04 H new ATOM 0 HA3 GLY A 175 -17.338 53.139 -4.734 1.00 18.04 H new ATOM 1240 N LYS A 176 -16.311 51.202 -2.841 1.00 17.05 N ATOM 1241 CA LYS A 176 -16.414 50.467 -1.578 1.00 16.07 C ATOM 1242 C LYS A 176 -15.153 49.636 -1.357 1.00 15.19 C ATOM 1243 O LYS A 176 -14.817 48.780 -2.176 1.00 16.57 O ATOM 1244 CB LYS A 176 -17.650 49.564 -1.605 1.00 17.13 C ATOM 1245 CG LYS A 176 -18.966 50.333 -1.612 1.00 20.19 C ATOM 1246 CD LYS A 176 -20.162 49.396 -1.660 1.00 23.08 C ATOM 1247 CE LYS A 176 -21.453 50.144 -1.359 1.00 25.27 C ATOM 1248 NZ LYS A 176 -22.635 49.238 -1.356 1.00 27.76 N ATOM 0 H LYS A 176 -16.042 50.726 -3.505 1.00 17.05 H new ATOM 0 HA LYS A 176 -16.503 51.097 -0.846 1.00 16.07 H new ATOM 0 HB2 LYS A 176 -17.611 48.998 -2.392 1.00 17.13 H new ATOM 0 HB3 LYS A 176 -17.630 48.978 -0.832 1.00 17.13 H new ATOM 0 HG2 LYS A 176 -19.021 50.889 -0.819 1.00 20.19 H new ATOM 0 HG3 LYS A 176 -18.990 50.928 -2.377 1.00 20.19 H new ATOM 0 HD2 LYS A 176 -20.220 48.984 -2.536 1.00 23.08 H new ATOM 0 HD3 LYS A 176 -20.042 48.680 -1.017 1.00 23.08 H new ATOM 0 HE2 LYS A 176 -21.379 50.581 -0.496 1.00 25.27 H new ATOM 0 HE3 LYS A 176 -21.583 50.842 -2.020 1.00 25.27 H new ATOM 0 HZ1 LYS A 176 -23.315 49.639 -0.945 1.00 27.76 H new ATOM 0 HZ2 LYS A 176 -22.866 49.048 -2.194 1.00 27.76 H new ATOM 0 HZ3 LYS A 176 -22.431 48.485 -0.927 1.00 27.76 H new ATOM 1249 N ASP A 177 -14.465 49.873 -0.242 1.00 14.69 N ATOM 1250 CA ASP A 177 -13.216 49.167 0.027 1.00 14.37 C ATOM 1251 C ASP A 177 -12.731 49.441 1.454 1.00 14.82 C ATOM 1252 O ASP A 177 -13.275 50.302 2.149 1.00 15.39 O ATOM 1253 CB ASP A 177 -12.178 49.678 -0.981 1.00 14.92 C ATOM 1254 CG ASP A 177 -10.898 48.868 -0.995 1.00 14.01 C ATOM 1255 OD1 ASP A 177 -9.942 49.324 -1.659 1.00 15.71 O ATOM 1256 OD2 ASP A 177 -10.839 47.790 -0.368 1.00 13.97 O ATOM 0 H ASP A 177 -14.702 50.433 0.366 1.00 14.69 H new ATOM 0 HA ASP A 177 -13.348 48.210 -0.060 1.00 14.37 H new ATOM 0 HB2 ASP A 177 -12.568 49.668 -1.869 1.00 14.92 H new ATOM 0 HB3 ASP A 177 -11.965 50.602 -0.775 1.00 14.92 H new ATOM 1257 N SER A 178 -11.729 48.687 1.904 1.00 14.39 N ATOM 1258 CA SER A 178 -11.147 48.935 3.218 1.00 14.08 C ATOM 1259 C SER A 178 -10.072 49.981 2.916 1.00 14.13 C ATOM 1260 O SER A 178 -9.867 50.327 1.751 1.00 14.40 O ATOM 1261 CB SER A 178 -10.537 47.657 3.816 1.00 14.34 C ATOM 1262 OG SER A 178 -9.651 47.019 2.918 1.00 14.76 O ATOM 0 H SER A 178 -11.376 48.035 1.469 1.00 14.39 H new ATOM 0 HA SER A 178 -11.796 49.230 3.876 1.00 14.08 H new ATOM 0 HB2 SER A 178 -10.063 47.878 4.633 1.00 14.34 H new ATOM 0 HB3 SER A 178 -11.248 47.043 4.057 1.00 14.34 H new ATOM 0 HG SER A 178 -9.414 47.563 2.323 1.00 14.76 H new ATOM 1263 N CYS A 179 -9.383 50.493 3.930 1.00 13.27 N ATOM 1264 CA CYS A 179 -8.386 51.528 3.670 1.00 14.52 C ATOM 1265 C CYS A 179 -7.399 51.674 4.828 1.00 14.47 C ATOM 1266 O CYS A 179 -7.450 50.909 5.792 1.00 14.66 O ATOM 1267 CB CYS A 179 -9.119 52.854 3.414 1.00 13.95 C ATOM 1268 SG CYS A 179 -8.161 54.175 2.605 1.00 15.17 S ATOM 0 H CYS A 179 -9.472 50.264 4.754 1.00 13.27 H new ATOM 0 HA CYS A 179 -7.866 51.275 2.891 1.00 14.52 H new ATOM 0 HB2 CYS A 179 -9.899 52.668 2.869 1.00 13.95 H new ATOM 0 HB3 CYS A 179 -9.441 53.191 4.265 1.00 13.95 H new ATOM 1269 N GLN A 180 -6.490 52.643 4.721 1.00 15.53 N ATOM 1270 CA GLN A 180 -5.506 52.888 5.773 1.00 15.93 C ATOM 1271 C GLN A 180 -6.191 52.981 7.128 1.00 14.31 C ATOM 1272 O GLN A 180 -7.190 53.684 7.279 1.00 14.82 O ATOM 1273 CB GLN A 180 -4.751 54.195 5.512 1.00 17.36 C ATOM 1274 CG GLN A 180 -3.473 54.043 4.705 1.00 20.38 C ATOM 1275 CD GLN A 180 -3.708 53.390 3.362 1.00 21.23 C ATOM 1276 OE1 GLN A 180 -4.521 53.858 2.567 1.00 21.98 O ATOM 1277 NE2 GLN A 180 -2.993 52.301 3.100 1.00 21.39 N ATOM 0 H GLN A 180 -6.427 53.171 4.045 1.00 15.53 H new ATOM 0 HA GLN A 180 -4.880 52.147 5.773 1.00 15.93 H new ATOM 0 HB2 GLN A 180 -5.342 54.807 5.046 1.00 17.36 H new ATOM 0 HB3 GLN A 180 -4.534 54.604 6.364 1.00 17.36 H new ATOM 0 HG2 GLN A 180 -3.073 54.917 4.571 1.00 20.38 H new ATOM 0 HG3 GLN A 180 -2.836 53.515 5.211 1.00 20.38 H new ATOM 0 HE21 GLN A 180 -2.434 52.004 3.682 1.00 21.39 H new ATOM 0 HE22 GLN A 180 -3.090 51.894 2.349 1.00 21.39 H new ATOM 1278 N GLY A 181 -5.648 52.274 8.113 1.00 13.58 N ATOM 1279 CA GLY A 181 -6.237 52.305 9.436 1.00 12.67 C ATOM 1280 C GLY A 181 -7.070 51.069 9.694 1.00 11.20 C ATOM 1281 O GLY A 181 -7.329 50.725 10.845 1.00 10.85 O ATOM 0 H GLY A 181 -4.949 51.779 8.035 1.00 13.58 H new ATOM 0 HA2 GLY A 181 -5.536 52.371 10.103 1.00 12.67 H new ATOM 0 HA3 GLY A 181 -6.791 53.096 9.528 1.00 12.67 H new ATOM 1282 N ASP A 182 -7.498 50.403 8.623 1.00 10.82 N ATOM 1283 CA ASP A 182 -8.297 49.185 8.750 1.00 10.10 C ATOM 1284 C ASP A 182 -7.392 47.959 8.805 1.00 8.98 C ATOM 1285 O ASP A 182 -7.828 46.874 9.199 1.00 8.55 O ATOM 1286 CB ASP A 182 -9.252 49.020 7.559 1.00 10.56 C ATOM 1287 CG ASP A 182 -10.330 50.081 7.511 1.00 10.53 C ATOM 1288 OD1 ASP A 182 -10.894 50.412 8.572 1.00 11.07 O ATOM 1289 OD2 ASP A 182 -10.632 50.569 6.398 1.00 11.86 O ATOM 0 H ASP A 182 -7.336 50.640 7.812 1.00 10.82 H new ATOM 0 HA ASP A 182 -8.810 49.263 9.569 1.00 10.10 H new ATOM 0 HB2 ASP A 182 -8.741 49.049 6.735 1.00 10.56 H new ATOM 0 HB3 ASP A 182 -9.669 48.145 7.604 1.00 10.56 H new ATOM 1290 N SER A 183 -6.138 48.136 8.397 1.00 9.34 N ATOM 1291 CA SER A 183 -5.166 47.049 8.369 1.00 9.61 C ATOM 1292 C SER A 183 -5.141 46.204 9.632 1.00 7.64 C ATOM 1293 O SER A 183 -5.168 46.732 10.746 1.00 7.89 O ATOM 1294 CB SER A 183 -3.768 47.604 8.106 1.00 11.94 C ATOM 1295 OG SER A 183 -3.696 48.154 6.807 1.00 17.69 O ATOM 0 H SER A 183 -5.827 48.892 8.128 1.00 9.34 H new ATOM 0 HA SER A 183 -5.448 46.462 7.650 1.00 9.61 H new ATOM 0 HB2 SER A 183 -3.554 48.284 8.764 1.00 11.94 H new ATOM 0 HB3 SER A 183 -3.110 46.898 8.202 1.00 11.94 H new ATOM 0 HG SER A 183 -3.211 48.840 6.819 1.00 17.69 H new ATOM 1296 N GLY A 184 -5.071 44.889 9.444 1.00 7.40 N ATOM 1297 CA GLY A 184 -5.039 43.969 10.565 1.00 6.72 C ATOM 1298 C GLY A 184 -6.434 43.539 10.986 1.00 6.14 C ATOM 1299 O GLY A 184 -6.585 42.562 11.719 1.00 7.21 O ATOM 0 H GLY A 184 -5.041 44.513 8.671 1.00 7.40 H new ATOM 0 HA2 GLY A 184 -4.518 43.186 10.326 1.00 6.72 H new ATOM 0 HA3 GLY A 184 -4.591 44.390 11.315 1.00 6.72 H new ATOM 1300 N GLY A 185 -7.440 44.272 10.506 1.00 6.95 N ATOM 1301 CA GLY A 185 -8.828 43.996 10.833 1.00 7.77 C ATOM 1302 C GLY A 185 -9.400 42.757 10.184 1.00 8.01 C ATOM 1303 O GLY A 185 -8.794 42.171 9.291 1.00 7.73 O ATOM 0 H GLY A 185 -7.330 44.944 9.981 1.00 6.95 H new ATOM 0 HA2 GLY A 185 -8.909 43.908 11.796 1.00 7.77 H new ATOM 0 HA3 GLY A 185 -9.366 44.760 10.572 1.00 7.77 H new ATOM 1304 N PRO A 186 -10.606 42.360 10.602 1.00 7.32 N ATOM 1305 CA PRO A 186 -11.322 41.183 10.115 1.00 7.81 C ATOM 1306 C PRO A 186 -12.122 41.255 8.825 1.00 8.32 C ATOM 1307 O PRO A 186 -12.660 42.297 8.454 1.00 8.64 O ATOM 1308 CB PRO A 186 -12.243 40.858 11.281 1.00 8.05 C ATOM 1309 CG PRO A 186 -12.655 42.219 11.724 1.00 8.94 C ATOM 1310 CD PRO A 186 -11.336 42.984 11.722 1.00 8.56 C ATOM 0 HA PRO A 186 -10.660 40.523 9.856 1.00 7.81 H new ATOM 0 HB2 PRO A 186 -13.001 40.318 11.008 1.00 8.05 H new ATOM 0 HB3 PRO A 186 -11.785 40.369 11.982 1.00 8.05 H new ATOM 0 HG2 PRO A 186 -13.302 42.615 11.119 1.00 8.94 H new ATOM 0 HG3 PRO A 186 -13.062 42.204 12.604 1.00 8.94 H new ATOM 0 HD2 PRO A 186 -11.470 43.934 11.581 1.00 8.56 H new ATOM 0 HD3 PRO A 186 -10.861 42.886 12.562 1.00 8.56 H new ATOM 1311 N VAL A 187 -12.176 40.105 8.160 1.00 8.83 N ATOM 1312 CA VAL A 187 -12.990 39.884 6.971 1.00 8.80 C ATOM 1313 C VAL A 187 -13.664 38.587 7.405 1.00 8.84 C ATOM 1314 O VAL A 187 -13.038 37.527 7.429 1.00 8.50 O ATOM 1315 CB VAL A 187 -12.172 39.612 5.703 1.00 8.93 C ATOM 1316 CG1 VAL A 187 -13.123 39.297 4.543 1.00 10.94 C ATOM 1317 CG2 VAL A 187 -11.316 40.817 5.366 1.00 12.44 C ATOM 0 H VAL A 187 -11.726 39.411 8.396 1.00 8.83 H new ATOM 0 HA VAL A 187 -13.550 40.640 6.735 1.00 8.80 H new ATOM 0 HB VAL A 187 -11.588 38.852 5.854 1.00 8.93 H new ATOM 0 HG11 VAL A 187 -12.608 39.125 3.740 1.00 10.94 H new ATOM 0 HG12 VAL A 187 -13.652 38.514 4.762 1.00 10.94 H new ATOM 0 HG13 VAL A 187 -13.712 40.053 4.393 1.00 10.94 H new ATOM 0 HG21 VAL A 187 -10.803 40.635 4.563 1.00 12.44 H new ATOM 0 HG22 VAL A 187 -11.886 41.588 5.217 1.00 12.44 H new ATOM 0 HG23 VAL A 187 -10.711 41.000 6.102 1.00 12.44 H new ATOM 1318 N VAL A 188 -14.926 38.684 7.799 1.00 8.40 N ATOM 1319 CA VAL A 188 -15.665 37.528 8.276 1.00 8.85 C ATOM 1320 C VAL A 188 -16.706 37.094 7.261 1.00 9.70 C ATOM 1321 O VAL A 188 -17.468 37.910 6.743 1.00 9.73 O ATOM 1322 CB VAL A 188 -16.335 37.848 9.636 1.00 8.25 C ATOM 1323 CG1 VAL A 188 -17.377 36.805 9.968 1.00 10.41 C ATOM 1324 CG2 VAL A 188 -15.273 37.905 10.736 1.00 9.54 C ATOM 0 H VAL A 188 -15.375 39.417 7.797 1.00 8.40 H new ATOM 0 HA VAL A 188 -15.041 36.795 8.398 1.00 8.85 H new ATOM 0 HB VAL A 188 -16.774 38.711 9.575 1.00 8.25 H new ATOM 0 HG11 VAL A 188 -17.788 37.018 10.821 1.00 10.41 H new ATOM 0 HG12 VAL A 188 -18.057 36.794 9.276 1.00 10.41 H new ATOM 0 HG13 VAL A 188 -16.956 35.933 10.021 1.00 10.41 H new ATOM 0 HG21 VAL A 188 -15.697 38.106 11.585 1.00 9.54 H new ATOM 0 HG22 VAL A 188 -14.821 37.049 10.795 1.00 9.54 H new ATOM 0 HG23 VAL A 188 -14.627 38.597 10.526 1.00 9.54 H new ATOM 1325 N CYS A 189 -16.715 35.802 6.964 1.00 9.34 N ATOM 1326 CA CYS A 189 -17.658 35.255 6.002 1.00 10.39 C ATOM 1327 C CYS A 189 -18.294 34.007 6.599 1.00 11.36 C ATOM 1328 O CYS A 189 -17.594 33.104 7.057 1.00 10.27 O ATOM 1329 CB CYS A 189 -16.939 34.880 4.704 1.00 11.55 C ATOM 1330 SG CYS A 189 -15.533 35.937 4.217 1.00 11.44 S ATOM 0 H CYS A 189 -16.181 35.224 7.310 1.00 9.34 H new ATOM 0 HA CYS A 189 -18.335 35.920 5.803 1.00 10.39 H new ATOM 0 HB2 CYS A 189 -16.619 33.968 4.787 1.00 11.55 H new ATOM 0 HB3 CYS A 189 -17.589 34.888 3.984 1.00 11.55 H new ATOM 1331 N SER A 190 -19.621 33.962 6.604 1.00 12.16 N ATOM 1332 CA SER A 190 -20.338 32.814 7.145 1.00 13.74 C ATOM 1333 C SER A 190 -19.881 32.469 8.562 1.00 13.15 C ATOM 1334 O SER A 190 -19.704 31.297 8.898 1.00 14.87 O ATOM 1335 CB SER A 190 -20.149 31.598 6.235 1.00 15.60 C ATOM 1336 OG SER A 190 -20.553 31.889 4.909 1.00 18.66 O ATOM 0 H SER A 190 -20.126 34.587 6.298 1.00 12.16 H new ATOM 0 HA SER A 190 -21.277 33.053 7.185 1.00 13.74 H new ATOM 0 HB2 SER A 190 -19.218 31.327 6.241 1.00 15.60 H new ATOM 0 HB3 SER A 190 -20.664 30.851 6.577 1.00 15.60 H new ATOM 0 HG SER A 190 -20.016 31.536 4.368 1.00 18.66 H new ATOM 1337 N GLY A 191 -19.682 33.496 9.384 1.00 12.24 N ATOM 1338 CA GLY A 191 -19.275 33.284 10.761 1.00 12.55 C ATOM 1339 C GLY A 191 -17.838 32.859 11.010 1.00 12.00 C ATOM 1340 O GLY A 191 -17.494 32.487 12.133 1.00 13.03 O ATOM 0 H GLY A 191 -19.778 34.321 9.161 1.00 12.24 H new ATOM 0 HA2 GLY A 191 -19.433 34.107 11.250 1.00 12.55 H new ATOM 0 HA3 GLY A 191 -19.857 32.610 11.145 1.00 12.55 H new ATOM 1341 N LYS A 192 -16.996 32.912 9.984 1.00 10.61 N ATOM 1342 CA LYS A 192 -15.598 32.513 10.132 1.00 10.53 C ATOM 1343 C LYS A 192 -14.656 33.634 9.708 1.00 9.90 C ATOM 1344 O LYS A 192 -14.938 34.363 8.758 1.00 9.38 O ATOM 1345 CB LYS A 192 -15.297 31.283 9.269 1.00 11.43 C ATOM 1346 CG LYS A 192 -16.225 30.096 9.476 1.00 13.73 C ATOM 1347 CD LYS A 192 -16.084 29.506 10.862 1.00 16.36 C ATOM 1348 CE LYS A 192 -16.975 28.289 11.032 1.00 18.35 C ATOM 1349 NZ LYS A 192 -16.862 27.711 12.396 1.00 21.24 N ATOM 0 H LYS A 192 -17.212 33.175 9.194 1.00 10.61 H new ATOM 0 HA LYS A 192 -15.456 32.308 11.070 1.00 10.53 H new ATOM 0 HB2 LYS A 192 -15.335 31.545 8.336 1.00 11.43 H new ATOM 0 HB3 LYS A 192 -14.387 30.997 9.447 1.00 11.43 H new ATOM 0 HG2 LYS A 192 -17.143 30.375 9.335 1.00 13.73 H new ATOM 0 HG3 LYS A 192 -16.031 29.415 8.813 1.00 13.73 H new ATOM 0 HD2 LYS A 192 -15.159 29.258 11.018 1.00 16.36 H new ATOM 0 HD3 LYS A 192 -16.314 30.174 11.526 1.00 16.36 H new ATOM 0 HE2 LYS A 192 -17.897 28.536 10.861 1.00 18.35 H new ATOM 0 HE3 LYS A 192 -16.735 27.617 10.375 1.00 18.35 H new ATOM 0 HZ1 LYS A 192 -17.530 27.139 12.532 1.00 21.24 H new ATOM 0 HZ2 LYS A 192 -16.085 27.284 12.474 1.00 21.24 H new ATOM 0 HZ3 LYS A 192 -16.903 28.364 13.000 1.00 21.24 H new ATOM 1350 N LEU A 193 -13.536 33.764 10.415 1.00 8.78 N ATOM 1351 CA LEU A 193 -12.532 34.770 10.077 1.00 8.75 C ATOM 1352 C LEU A 193 -11.738 34.245 8.881 1.00 8.74 C ATOM 1353 O LEU A 193 -10.809 33.455 9.044 1.00 10.65 O ATOM 1354 CB LEU A 193 -11.581 34.994 11.257 1.00 9.41 C ATOM 1355 CG LEU A 193 -10.469 36.017 11.002 1.00 8.60 C ATOM 1356 CD1 LEU A 193 -11.070 37.415 10.916 1.00 9.29 C ATOM 1357 CD2 LEU A 193 -9.440 35.955 12.120 1.00 9.42 C ATOM 0 H LEU A 193 -13.338 33.278 11.096 1.00 8.78 H new ATOM 0 HA LEU A 193 -12.963 35.613 9.868 1.00 8.75 H new ATOM 0 HB2 LEU A 193 -12.100 35.284 12.024 1.00 9.41 H new ATOM 0 HB3 LEU A 193 -11.175 34.146 11.494 1.00 9.41 H new ATOM 0 HG LEU A 193 -10.029 35.810 10.163 1.00 8.60 H new ATOM 0 HD11 LEU A 193 -10.365 38.061 10.755 1.00 9.29 H new ATOM 0 HD12 LEU A 193 -11.711 37.448 10.189 1.00 9.29 H new ATOM 0 HD13 LEU A 193 -11.517 37.627 11.750 1.00 9.29 H new ATOM 0 HD21 LEU A 193 -8.740 36.605 11.952 1.00 9.42 H new ATOM 0 HD22 LEU A 193 -9.869 36.155 12.967 1.00 9.42 H new ATOM 0 HD23 LEU A 193 -9.054 35.066 12.156 1.00 9.42 H new ATOM 1358 N GLN A 194 -12.106 34.681 7.680 1.00 8.10 N ATOM 1359 CA GLN A 194 -11.423 34.224 6.473 1.00 7.14 C ATOM 1360 C GLN A 194 -10.327 35.168 5.984 1.00 7.25 C ATOM 1361 O GLN A 194 -9.434 34.750 5.246 1.00 8.36 O ATOM 1362 CB GLN A 194 -12.438 33.994 5.347 1.00 7.23 C ATOM 1363 CG GLN A 194 -13.443 32.882 5.617 1.00 10.04 C ATOM 1364 CD GLN A 194 -12.857 31.487 5.476 1.00 8.91 C ATOM 1365 OE1 GLN A 194 -11.655 31.315 5.280 1.00 9.52 O ATOM 1366 NE2 GLN A 194 -13.714 30.478 5.584 1.00 10.09 N ATOM 0 H GLN A 194 -12.746 35.239 7.542 1.00 8.10 H new ATOM 0 HA GLN A 194 -10.985 33.393 6.715 1.00 7.14 H new ATOM 0 HB2 GLN A 194 -12.922 34.820 5.190 1.00 7.23 H new ATOM 0 HB3 GLN A 194 -11.957 33.788 4.531 1.00 7.23 H new ATOM 0 HG2 GLN A 194 -13.797 32.987 6.514 1.00 10.04 H new ATOM 0 HG3 GLN A 194 -14.189 32.975 5.004 1.00 10.04 H new ATOM 0 HE21 GLN A 194 -14.548 30.635 5.721 1.00 10.09 H new ATOM 0 HE22 GLN A 194 -13.435 29.667 5.517 1.00 10.09 H new ATOM 1367 N GLY A 195 -10.384 36.434 6.384 1.00 7.09 N ATOM 1368 CA GLY A 195 -9.364 37.358 5.927 1.00 7.77 C ATOM 1369 C GLY A 195 -8.915 38.393 6.938 1.00 8.29 C ATOM 1370 O GLY A 195 -9.561 38.617 7.962 1.00 8.51 O ATOM 0 H GLY A 195 -10.985 36.766 6.902 1.00 7.09 H new ATOM 0 HA2 GLY A 195 -8.589 36.846 5.647 1.00 7.77 H new ATOM 0 HA3 GLY A 195 -9.698 37.820 5.142 1.00 7.77 H new ATOM 1371 N ILE A 196 -7.780 39.014 6.628 1.00 7.62 N ATOM 1372 CA ILE A 196 -7.187 40.068 7.441 1.00 7.11 C ATOM 1373 C ILE A 196 -6.886 41.209 6.474 1.00 6.74 C ATOM 1374 O ILE A 196 -6.293 40.979 5.416 1.00 7.84 O ATOM 1375 CB ILE A 196 -5.859 39.611 8.075 1.00 7.41 C ATOM 1376 CG1 ILE A 196 -6.103 38.405 8.984 1.00 8.24 C ATOM 1377 CG2 ILE A 196 -5.231 40.760 8.855 1.00 7.63 C ATOM 1378 CD1 ILE A 196 -4.822 37.733 9.453 1.00 9.35 C ATOM 0 H ILE A 196 -7.324 38.829 5.923 1.00 7.62 H new ATOM 0 HA ILE A 196 -7.788 40.319 8.160 1.00 7.11 H new ATOM 0 HB ILE A 196 -5.244 39.346 7.374 1.00 7.41 H new ATOM 0 HG12 ILE A 196 -6.613 38.690 9.758 1.00 8.24 H new ATOM 0 HG13 ILE A 196 -6.646 37.756 8.510 1.00 8.24 H new ATOM 0 HG21 ILE A 196 -4.396 40.465 9.251 1.00 7.63 H new ATOM 0 HG22 ILE A 196 -5.059 41.503 8.255 1.00 7.63 H new ATOM 0 HG23 ILE A 196 -5.838 41.045 9.556 1.00 7.63 H new ATOM 0 HD11 ILE A 196 -5.042 36.979 10.023 1.00 9.35 H new ATOM 0 HD12 ILE A 196 -4.320 37.421 8.684 1.00 9.35 H new ATOM 0 HD13 ILE A 196 -4.286 38.370 9.952 1.00 9.35 H new ATOM 1379 N VAL A 197 -7.309 42.425 6.811 1.00 6.73 N ATOM 1380 CA VAL A 197 -7.046 43.573 5.943 1.00 6.86 C ATOM 1381 C VAL A 197 -5.531 43.686 5.783 1.00 6.59 C ATOM 1382 O VAL A 197 -4.809 43.901 6.757 1.00 6.99 O ATOM 1383 CB VAL A 197 -7.618 44.870 6.549 1.00 7.20 C ATOM 1384 CG1 VAL A 197 -7.314 46.051 5.638 1.00 8.29 C ATOM 1385 CG2 VAL A 197 -9.117 44.730 6.739 1.00 9.15 C ATOM 0 H VAL A 197 -7.745 42.607 7.529 1.00 6.73 H new ATOM 0 HA VAL A 197 -7.476 43.446 5.083 1.00 6.86 H new ATOM 0 HB VAL A 197 -7.203 45.027 7.411 1.00 7.20 H new ATOM 0 HG11 VAL A 197 -7.677 46.862 6.027 1.00 8.29 H new ATOM 0 HG12 VAL A 197 -6.354 46.143 5.537 1.00 8.29 H new ATOM 0 HG13 VAL A 197 -7.717 45.901 4.768 1.00 8.29 H new ATOM 0 HG21 VAL A 197 -9.473 45.548 7.120 1.00 9.15 H new ATOM 0 HG22 VAL A 197 -9.538 44.564 5.881 1.00 9.15 H new ATOM 0 HG23 VAL A 197 -9.300 43.989 7.337 1.00 9.15 H new ATOM 1386 N SER A 198 -5.054 43.541 4.550 1.00 7.09 N ATOM 1387 CA SER A 198 -3.621 43.557 4.283 1.00 6.54 C ATOM 1388 C SER A 198 -3.122 44.713 3.416 1.00 8.16 C ATOM 1389 O SER A 198 -2.368 45.562 3.894 1.00 9.24 O ATOM 1390 CB SER A 198 -3.215 42.212 3.664 1.00 7.38 C ATOM 1391 OG SER A 198 -1.811 42.105 3.518 1.00 7.17 O ATOM 0 H SER A 198 -5.546 43.432 3.853 1.00 7.09 H new ATOM 0 HA SER A 198 -3.193 43.700 5.142 1.00 6.54 H new ATOM 0 HB2 SER A 198 -3.539 41.488 4.222 1.00 7.38 H new ATOM 0 HB3 SER A 198 -3.639 42.113 2.797 1.00 7.38 H new ATOM 0 HG SER A 198 -1.442 42.228 4.262 1.00 7.17 H new ATOM 1392 N TRP A 199 -3.509 44.737 2.144 1.00 7.82 N ATOM 1393 CA TRP A 199 -3.072 45.812 1.264 1.00 8.94 C ATOM 1394 C TRP A 199 -3.992 46.041 0.070 1.00 9.47 C ATOM 1395 O TRP A 199 -5.123 45.561 0.037 1.00 10.83 O ATOM 1396 CB TRP A 199 -1.634 45.563 0.780 1.00 7.93 C ATOM 1397 CG TRP A 199 -1.435 44.311 -0.031 1.00 8.46 C ATOM 1398 CD1 TRP A 199 -1.331 43.034 0.441 1.00 8.97 C ATOM 1399 CD2 TRP A 199 -1.283 44.227 -1.455 1.00 9.66 C ATOM 1400 NE1 TRP A 199 -1.117 42.161 -0.600 1.00 8.87 N ATOM 1401 CE2 TRP A 199 -1.084 42.868 -1.773 1.00 8.53 C ATOM 1402 CE3 TRP A 199 -1.294 45.169 -2.489 1.00 9.52 C ATOM 1403 CZ2 TRP A 199 -0.899 42.427 -3.086 1.00 9.56 C ATOM 1404 CZ3 TRP A 199 -1.109 44.727 -3.796 1.00 10.35 C ATOM 1405 CH2 TRP A 199 -0.915 43.369 -4.079 1.00 11.06 C ATOM 0 H TRP A 199 -4.017 44.149 1.776 1.00 7.82 H new ATOM 0 HA TRP A 199 -3.106 46.622 1.797 1.00 8.94 H new ATOM 0 HB2 TRP A 199 -1.351 46.323 0.248 1.00 7.93 H new ATOM 0 HB3 TRP A 199 -1.050 45.525 1.554 1.00 7.93 H new ATOM 0 HD1 TRP A 199 -1.395 42.790 1.336 1.00 8.97 H new ATOM 0 HE1 TRP A 199 -1.020 41.310 -0.527 1.00 8.87 H new ATOM 0 HE3 TRP A 199 -1.422 46.072 -2.307 1.00 9.52 H new ATOM 0 HZ2 TRP A 199 -0.770 41.526 -3.278 1.00 9.56 H new ATOM 0 HZ3 TRP A 199 -1.114 45.343 -4.492 1.00 10.35 H new ATOM 0 HH2 TRP A 199 -0.794 43.101 -4.961 1.00 11.06 H new ATOM 1406 N GLY A 200 -3.491 46.801 -0.897 1.00 10.46 N ATOM 1407 CA GLY A 200 -4.244 47.126 -2.096 1.00 11.93 C ATOM 1408 C GLY A 200 -3.631 48.359 -2.735 1.00 13.91 C ATOM 1409 O GLY A 200 -2.541 48.774 -2.353 1.00 14.60 O ATOM 0 H GLY A 200 -2.702 47.143 -0.874 1.00 10.46 H new ATOM 0 HA2 GLY A 200 -4.226 46.381 -2.717 1.00 11.93 H new ATOM 0 HA3 GLY A 200 -5.174 47.289 -1.875 1.00 11.93 H new ATOM 1410 N SER A 201 -4.323 48.947 -3.705 1.00 14.53 N ATOM 1411 CA SER A 201 -3.821 50.142 -4.377 1.00 16.56 C ATOM 1412 C SER A 201 -4.786 51.289 -4.126 1.00 16.59 C ATOM 1413 O SER A 201 -5.912 51.283 -4.624 1.00 18.06 O ATOM 1414 CB SER A 201 -3.689 49.889 -5.878 1.00 17.50 C ATOM 1415 OG SER A 201 -3.189 51.037 -6.542 1.00 21.73 O ATOM 0 H SER A 201 -5.086 48.670 -3.990 1.00 14.53 H new ATOM 0 HA SER A 201 -2.945 50.367 -4.027 1.00 16.56 H new ATOM 0 HB2 SER A 201 -3.096 49.137 -6.032 1.00 17.50 H new ATOM 0 HB3 SER A 201 -4.553 49.648 -6.247 1.00 17.50 H new ATOM 0 HG SER A 201 -3.808 51.401 -6.977 1.00 21.73 H new ATOM 1416 N GLY A 202 -4.337 52.284 -3.368 1.00 17.09 N ATOM 1417 CA GLY A 202 -5.210 53.395 -3.050 1.00 16.74 C ATOM 1418 C GLY A 202 -6.370 52.818 -2.261 1.00 16.90 C ATOM 1419 O GLY A 202 -6.202 51.817 -1.563 1.00 17.05 O ATOM 0 H GLY A 202 -3.545 52.331 -3.036 1.00 17.09 H new ATOM 0 HA2 GLY A 202 -4.740 54.066 -2.531 1.00 16.74 H new ATOM 0 HA3 GLY A 202 -5.524 53.830 -3.858 1.00 16.74 H new ATOM 1420 N CYS A 203 -7.544 53.428 -2.371 1.00 16.08 N ATOM 1421 CA CYS A 203 -8.725 52.947 -1.661 1.00 16.33 C ATOM 1422 C CYS A 203 -9.982 53.169 -2.492 1.00 17.12 C ATOM 1423 O CYS A 203 -10.230 54.274 -2.972 1.00 17.82 O ATOM 1424 CB CYS A 203 -8.869 53.666 -0.315 1.00 16.20 C ATOM 1425 SG CYS A 203 -7.533 53.319 0.873 1.00 16.24 S ATOM 0 H CYS A 203 -7.679 54.126 -2.854 1.00 16.08 H new ATOM 0 HA CYS A 203 -8.614 51.996 -1.506 1.00 16.33 H new ATOM 0 HB2 CYS A 203 -8.905 54.622 -0.474 1.00 16.20 H new ATOM 0 HB3 CYS A 203 -9.716 53.413 0.085 1.00 16.20 H new ATOM 1426 N ALA A 204 -10.766 52.109 -2.664 1.00 17.02 N ATOM 1427 CA ALA A 204 -12.012 52.179 -3.420 1.00 17.80 C ATOM 1428 C ALA A 204 -11.821 52.652 -4.856 1.00 19.11 C ATOM 1429 O ALA A 204 -12.718 53.262 -5.440 1.00 19.18 O ATOM 1430 CB ALA A 204 -13.000 53.088 -2.700 1.00 17.26 C ATOM 0 H ALA A 204 -10.591 51.329 -2.346 1.00 17.02 H new ATOM 0 HA ALA A 204 -12.360 51.275 -3.471 1.00 17.80 H new ATOM 0 HB1 ALA A 204 -13.827 53.132 -3.205 1.00 17.26 H new ATOM 0 HB2 ALA A 204 -13.181 52.734 -1.815 1.00 17.26 H new ATOM 0 HB3 ALA A 204 -12.622 53.978 -2.620 1.00 17.26 H new ATOM 1431 N GLN A 205 -10.657 52.369 -5.428 1.00 19.32 N ATOM 1432 CA GLN A 205 -10.385 52.766 -6.802 1.00 20.31 C ATOM 1433 C GLN A 205 -10.886 51.697 -7.764 1.00 20.06 C ATOM 1434 O GLN A 205 -10.973 50.520 -7.415 1.00 19.38 O ATOM 1435 CB GLN A 205 -8.886 52.995 -7.006 1.00 21.13 C ATOM 1436 CG GLN A 205 -8.334 54.156 -6.197 1.00 24.54 C ATOM 1437 CD GLN A 205 -9.073 55.450 -6.474 1.00 26.46 C ATOM 1438 OE1 GLN A 205 -9.108 55.928 -7.608 1.00 28.72 O ATOM 1439 NE2 GLN A 205 -9.672 56.024 -5.437 1.00 27.36 N ATOM 0 H GLN A 205 -10.014 51.950 -5.040 1.00 19.32 H new ATOM 0 HA GLN A 205 -10.852 53.597 -6.982 1.00 20.31 H new ATOM 0 HB2 GLN A 205 -8.407 52.186 -6.766 1.00 21.13 H new ATOM 0 HB3 GLN A 205 -8.716 53.156 -7.947 1.00 21.13 H new ATOM 0 HG2 GLN A 205 -8.394 53.947 -5.252 1.00 24.54 H new ATOM 0 HG3 GLN A 205 -7.393 54.273 -6.402 1.00 24.54 H new ATOM 0 HE21 GLN A 205 -9.626 55.661 -4.659 1.00 27.36 H new ATOM 0 HE22 GLN A 205 -10.106 56.759 -5.544 1.00 27.36 H new ATOM 1440 N LYS A 206 -11.222 52.116 -8.977 1.00 20.56 N ATOM 1441 CA LYS A 206 -11.721 51.201 -9.992 1.00 20.89 C ATOM 1442 C LYS A 206 -10.685 50.140 -10.355 1.00 20.31 C ATOM 1443 O LYS A 206 -9.506 50.443 -10.540 1.00 19.35 O ATOM 1444 CB LYS A 206 -12.120 51.991 -11.243 1.00 22.15 C ATOM 1445 CG LYS A 206 -12.550 51.134 -12.419 1.00 24.93 C ATOM 1446 CD LYS A 206 -12.791 51.991 -13.653 1.00 27.84 C ATOM 1447 CE LYS A 206 -12.968 51.132 -14.894 1.00 28.71 C ATOM 1448 NZ LYS A 206 -13.113 51.960 -16.125 1.00 30.67 N ATOM 0 H LYS A 206 -11.167 52.935 -9.234 1.00 20.56 H new ATOM 0 HA LYS A 206 -12.496 50.744 -9.629 1.00 20.89 H new ATOM 0 HB2 LYS A 206 -12.845 52.593 -11.014 1.00 22.15 H new ATOM 0 HB3 LYS A 206 -11.370 52.542 -11.516 1.00 22.15 H new ATOM 0 HG2 LYS A 206 -11.867 50.472 -12.609 1.00 24.93 H new ATOM 0 HG3 LYS A 206 -13.360 50.650 -12.193 1.00 24.93 H new ATOM 0 HD2 LYS A 206 -13.581 52.538 -13.520 1.00 27.84 H new ATOM 0 HD3 LYS A 206 -12.044 52.597 -13.780 1.00 27.84 H new ATOM 0 HE2 LYS A 206 -12.205 50.541 -14.990 1.00 28.71 H new ATOM 0 HE3 LYS A 206 -13.751 50.569 -14.789 1.00 28.71 H new ATOM 0 HZ1 LYS A 206 -13.214 51.428 -16.831 1.00 30.67 H new ATOM 0 HZ2 LYS A 206 -13.826 52.487 -16.046 1.00 30.67 H new ATOM 0 HZ3 LYS A 206 -12.385 52.461 -16.234 1.00 30.67 H new ATOM 1449 N ASN A 207 -11.141 48.894 -10.445 1.00 20.31 N ATOM 1450 CA ASN A 207 -10.296 47.756 -10.794 1.00 20.68 C ATOM 1451 C ASN A 207 -9.111 47.511 -9.869 1.00 20.40 C ATOM 1452 O ASN A 207 -8.134 46.871 -10.260 1.00 20.93 O ATOM 1453 CB ASN A 207 -9.802 47.887 -12.238 1.00 22.08 C ATOM 1454 CG ASN A 207 -10.924 47.751 -13.249 1.00 23.74 C ATOM 1455 OD1 ASN A 207 -11.727 46.819 -13.180 1.00 25.35 O ATOM 1456 ND2 ASN A 207 -10.983 48.677 -14.199 1.00 24.78 N ATOM 0 H ASN A 207 -11.962 48.683 -10.303 1.00 20.31 H new ATOM 0 HA ASN A 207 -10.870 46.981 -10.688 1.00 20.68 H new ATOM 0 HB2 ASN A 207 -9.370 48.748 -12.352 1.00 22.08 H new ATOM 0 HB3 ASN A 207 -9.131 47.208 -12.410 1.00 22.08 H new ATOM 0 HD21 ASN A 207 -11.599 48.640 -14.798 1.00 24.78 H new ATOM 0 HD22 ASN A 207 -10.405 49.314 -14.216 1.00 24.78 H new ATOM 1457 N LYS A 208 -9.198 48.015 -8.644 1.00 19.31 N ATOM 1458 CA LYS A 208 -8.138 47.819 -7.661 1.00 17.81 C ATOM 1459 C LYS A 208 -8.780 47.459 -6.326 1.00 16.17 C ATOM 1460 O LYS A 208 -8.839 48.274 -5.405 1.00 16.78 O ATOM 1461 CB LYS A 208 -7.292 49.087 -7.518 1.00 19.67 C ATOM 1462 CG LYS A 208 -6.567 49.482 -8.798 1.00 22.27 C ATOM 1463 CD LYS A 208 -5.750 48.319 -9.343 1.00 25.03 C ATOM 1464 CE LYS A 208 -5.057 48.687 -10.646 1.00 26.37 C ATOM 1465 NZ LYS A 208 -4.339 47.526 -11.243 1.00 28.14 N ATOM 0 H LYS A 208 -9.866 48.476 -8.360 1.00 19.31 H new ATOM 0 HA LYS A 208 -7.552 47.103 -7.952 1.00 17.81 H new ATOM 0 HB2 LYS A 208 -7.864 49.819 -7.240 1.00 19.67 H new ATOM 0 HB3 LYS A 208 -6.639 48.954 -6.813 1.00 19.67 H new ATOM 0 HG2 LYS A 208 -7.212 49.769 -9.464 1.00 22.27 H new ATOM 0 HG3 LYS A 208 -5.984 50.238 -8.624 1.00 22.27 H new ATOM 0 HD2 LYS A 208 -5.087 48.052 -8.687 1.00 25.03 H new ATOM 0 HD3 LYS A 208 -6.330 47.555 -9.488 1.00 25.03 H new ATOM 0 HE2 LYS A 208 -5.713 49.020 -11.278 1.00 26.37 H new ATOM 0 HE3 LYS A 208 -4.428 49.407 -10.485 1.00 26.37 H new ATOM 0 HZ1 LYS A 208 -3.506 47.764 -11.446 1.00 28.14 H new ATOM 0 HZ2 LYS A 208 -4.321 46.855 -10.658 1.00 28.14 H new ATOM 0 HZ3 LYS A 208 -4.761 47.264 -11.982 1.00 28.14 H new ATOM 1466 N PRO A 209 -9.273 46.219 -6.212 1.00 14.23 N ATOM 1467 CA PRO A 209 -9.926 45.708 -5.005 1.00 13.51 C ATOM 1468 C PRO A 209 -8.956 45.508 -3.847 1.00 12.04 C ATOM 1469 O PRO A 209 -7.742 45.505 -4.031 1.00 12.08 O ATOM 1470 CB PRO A 209 -10.532 44.394 -5.482 1.00 13.20 C ATOM 1471 CG PRO A 209 -9.508 43.912 -6.462 1.00 14.67 C ATOM 1472 CD PRO A 209 -9.188 45.172 -7.245 1.00 15.37 C ATOM 0 HA PRO A 209 -10.581 46.325 -4.644 1.00 13.51 H new ATOM 0 HB2 PRO A 209 -10.659 43.767 -4.753 1.00 13.20 H new ATOM 0 HB3 PRO A 209 -11.399 44.524 -5.898 1.00 13.20 H new ATOM 0 HG2 PRO A 209 -8.724 43.553 -6.018 1.00 14.67 H new ATOM 0 HG3 PRO A 209 -9.857 43.210 -7.033 1.00 14.67 H new ATOM 0 HD2 PRO A 209 -8.306 45.133 -7.648 1.00 15.37 H new ATOM 0 HD3 PRO A 209 -9.822 45.321 -7.964 1.00 15.37 H new ATOM 1473 N GLY A 210 -9.504 45.349 -2.649 1.00 11.22 N ATOM 1474 CA GLY A 210 -8.664 45.137 -1.488 1.00 10.01 C ATOM 1475 C GLY A 210 -8.060 43.747 -1.508 1.00 9.76 C ATOM 1476 O GLY A 210 -8.661 42.804 -2.040 1.00 10.38 O ATOM 0 H GLY A 210 -10.349 45.361 -2.491 1.00 11.22 H new ATOM 0 HA2 GLY A 210 -7.957 45.801 -1.469 1.00 10.01 H new ATOM 0 HA3 GLY A 210 -9.186 45.256 -0.679 1.00 10.01 H new ATOM 1477 N VAL A 211 -6.861 43.627 -0.947 1.00 8.35 N ATOM 1478 CA VAL A 211 -6.160 42.352 -0.869 1.00 8.22 C ATOM 1479 C VAL A 211 -6.126 41.943 0.605 1.00 7.86 C ATOM 1480 O VAL A 211 -5.770 42.741 1.480 1.00 7.93 O ATOM 1481 CB VAL A 211 -4.731 42.463 -1.429 1.00 8.74 C ATOM 1482 CG1 VAL A 211 -4.091 41.086 -1.475 1.00 10.34 C ATOM 1483 CG2 VAL A 211 -4.766 43.085 -2.828 1.00 10.19 C ATOM 0 H VAL A 211 -6.430 44.286 -0.600 1.00 8.35 H new ATOM 0 HA VAL A 211 -6.620 41.686 -1.404 1.00 8.22 H new ATOM 0 HB VAL A 211 -4.202 43.034 -0.850 1.00 8.74 H new ATOM 0 HG11 VAL A 211 -3.191 41.159 -1.828 1.00 10.34 H new ATOM 0 HG12 VAL A 211 -4.057 40.715 -0.580 1.00 10.34 H new ATOM 0 HG13 VAL A 211 -4.616 40.504 -2.047 1.00 10.34 H new ATOM 0 HG21 VAL A 211 -3.863 43.152 -3.175 1.00 10.19 H new ATOM 0 HG22 VAL A 211 -5.298 42.527 -3.417 1.00 10.19 H new ATOM 0 HG23 VAL A 211 -5.160 43.970 -2.779 1.00 10.19 H new ATOM 1484 N TYR A 212 -6.489 40.692 0.868 1.00 7.87 N ATOM 1485 CA TYR A 212 -6.577 40.184 2.229 1.00 7.78 C ATOM 1486 C TYR A 212 -5.775 38.917 2.468 1.00 6.63 C ATOM 1487 O TYR A 212 -5.630 38.085 1.570 1.00 7.94 O ATOM 1488 CB TYR A 212 -8.053 39.929 2.536 1.00 8.33 C ATOM 1489 CG TYR A 212 -8.890 41.171 2.353 1.00 6.93 C ATOM 1490 CD1 TYR A 212 -9.015 42.093 3.380 1.00 8.17 C ATOM 1491 CD2 TYR A 212 -9.487 41.465 1.129 1.00 8.79 C ATOM 1492 CE1 TYR A 212 -9.705 43.276 3.202 1.00 8.77 C ATOM 1493 CE2 TYR A 212 -10.181 42.650 0.940 1.00 7.98 C ATOM 1494 CZ TYR A 212 -10.284 43.551 1.981 1.00 7.57 C ATOM 1495 OH TYR A 212 -10.953 44.741 1.804 1.00 9.98 O ATOM 0 H TYR A 212 -6.691 40.116 0.262 1.00 7.87 H new ATOM 0 HA TYR A 212 -6.192 40.851 2.819 1.00 7.78 H new ATOM 0 HB2 TYR A 212 -8.387 39.227 1.956 1.00 8.33 H new ATOM 0 HB3 TYR A 212 -8.143 39.611 3.448 1.00 8.33 H new ATOM 0 HD1 TYR A 212 -8.627 41.912 4.205 1.00 8.17 H new ATOM 0 HD2 TYR A 212 -9.419 40.857 0.428 1.00 8.79 H new ATOM 0 HE1 TYR A 212 -9.779 43.884 3.902 1.00 8.77 H new ATOM 0 HE2 TYR A 212 -10.574 42.837 0.118 1.00 7.98 H new ATOM 0 HH TYR A 212 -10.507 45.366 2.144 1.00 9.98 H new ATOM 1496 N THR A 213 -5.249 38.772 3.682 1.00 7.02 N ATOM 1497 CA THR A 213 -4.486 37.579 4.036 1.00 6.90 C ATOM 1498 C THR A 213 -5.480 36.425 4.110 1.00 6.42 C ATOM 1499 O THR A 213 -6.516 36.542 4.769 1.00 7.37 O ATOM 1500 CB THR A 213 -3.801 37.741 5.395 1.00 7.00 C ATOM 1501 OG1 THR A 213 -3.016 38.938 5.382 1.00 7.70 O ATOM 1502 CG2 THR A 213 -2.891 36.565 5.681 1.00 7.78 C ATOM 0 H THR A 213 -5.322 39.351 4.313 1.00 7.02 H new ATOM 0 HA THR A 213 -3.794 37.421 3.375 1.00 6.90 H new ATOM 0 HB THR A 213 -4.483 37.786 6.083 1.00 7.00 H new ATOM 0 HG1 THR A 213 -2.529 38.961 6.066 1.00 7.70 H new ATOM 0 HG21 THR A 213 -2.467 36.686 6.545 1.00 7.78 H new ATOM 0 HG22 THR A 213 -3.412 35.747 5.689 1.00 7.78 H new ATOM 0 HG23 THR A 213 -2.210 36.508 4.993 1.00 7.78 H new ATOM 1503 N LYS A 214 -5.162 35.318 3.443 1.00 7.14 N ATOM 1504 CA LYS A 214 -6.056 34.164 3.412 1.00 7.09 C ATOM 1505 C LYS A 214 -5.883 33.320 4.665 1.00 7.03 C ATOM 1506 O LYS A 214 -5.087 32.379 4.700 1.00 7.60 O ATOM 1507 CB LYS A 214 -5.783 33.332 2.156 1.00 9.33 C ATOM 1508 CG LYS A 214 -6.872 32.315 1.858 1.00 10.57 C ATOM 1509 CD LYS A 214 -6.514 31.434 0.674 1.00 15.04 C ATOM 1510 CE LYS A 214 -6.425 32.217 -0.624 1.00 16.96 C ATOM 1511 NZ LYS A 214 -6.051 31.330 -1.764 1.00 19.93 N ATOM 0 H LYS A 214 -4.431 35.215 3.001 1.00 7.14 H new ATOM 0 HA LYS A 214 -6.974 34.477 3.387 1.00 7.09 H new ATOM 0 HB2 LYS A 214 -5.689 33.927 1.396 1.00 9.33 H new ATOM 0 HB3 LYS A 214 -4.937 32.869 2.260 1.00 9.33 H new ATOM 0 HG2 LYS A 214 -7.020 31.761 2.640 1.00 10.57 H new ATOM 0 HG3 LYS A 214 -7.705 32.777 1.677 1.00 10.57 H new ATOM 0 HD2 LYS A 214 -5.665 30.997 0.844 1.00 15.04 H new ATOM 0 HD3 LYS A 214 -7.179 30.734 0.582 1.00 15.04 H new ATOM 0 HE2 LYS A 214 -7.277 32.642 -0.808 1.00 16.96 H new ATOM 0 HE3 LYS A 214 -5.769 32.925 -0.533 1.00 16.96 H new ATOM 0 HZ1 LYS A 214 -6.255 31.731 -2.532 1.00 19.93 H new ATOM 0 HZ2 LYS A 214 -5.177 31.166 -1.738 1.00 19.93 H new ATOM 0 HZ3 LYS A 214 -6.498 30.563 -1.703 1.00 19.93 H new ATOM 1512 N VAL A 215 -6.658 33.659 5.689 1.00 7.75 N ATOM 1513 CA VAL A 215 -6.577 32.991 6.981 1.00 7.78 C ATOM 1514 C VAL A 215 -6.732 31.467 6.993 1.00 7.56 C ATOM 1515 O VAL A 215 -6.105 30.792 7.810 1.00 7.66 O ATOM 1516 CB VAL A 215 -7.600 33.615 7.965 1.00 7.30 C ATOM 1517 CG1 VAL A 215 -7.566 32.892 9.301 1.00 8.71 C ATOM 1518 CG2 VAL A 215 -7.285 35.094 8.169 1.00 9.33 C ATOM 0 H VAL A 215 -7.247 34.285 5.654 1.00 7.75 H new ATOM 0 HA VAL A 215 -5.659 33.141 7.256 1.00 7.78 H new ATOM 0 HB VAL A 215 -8.489 33.524 7.587 1.00 7.30 H new ATOM 0 HG11 VAL A 215 -8.211 33.295 9.903 1.00 8.71 H new ATOM 0 HG12 VAL A 215 -7.787 31.957 9.169 1.00 8.71 H new ATOM 0 HG13 VAL A 215 -6.678 32.962 9.685 1.00 8.71 H new ATOM 0 HG21 VAL A 215 -7.927 35.480 8.785 1.00 9.33 H new ATOM 0 HG22 VAL A 215 -6.391 35.187 8.534 1.00 9.33 H new ATOM 0 HG23 VAL A 215 -7.336 35.556 7.318 1.00 9.33 H new ATOM 1519 N CYS A 216 -7.540 30.917 6.091 1.00 8.07 N ATOM 1520 CA CYS A 216 -7.743 29.468 6.085 1.00 9.04 C ATOM 1521 C CYS A 216 -6.444 28.688 5.888 1.00 10.46 C ATOM 1522 O CYS A 216 -6.360 27.523 6.276 1.00 12.33 O ATOM 1523 CB CYS A 216 -8.778 29.069 5.025 1.00 9.18 C ATOM 1524 SG CYS A 216 -8.293 29.462 3.317 1.00 8.83 S ATOM 0 H CYS A 216 -7.971 31.351 5.487 1.00 8.07 H new ATOM 0 HA CYS A 216 -8.081 29.231 6.963 1.00 9.04 H new ATOM 0 HB2 CYS A 216 -8.942 28.115 5.092 1.00 9.18 H new ATOM 0 HB3 CYS A 216 -9.616 29.516 5.223 1.00 9.18 H new ATOM 1525 N ASN A 217 -5.432 29.327 5.304 1.00 9.71 N ATOM 1526 CA ASN A 217 -4.135 28.679 5.087 1.00 9.28 C ATOM 1527 C ASN A 217 -3.284 28.652 6.357 1.00 8.27 C ATOM 1528 O ASN A 217 -2.269 27.951 6.414 1.00 10.13 O ATOM 1529 CB ASN A 217 -3.323 29.421 4.015 1.00 9.28 C ATOM 1530 CG ASN A 217 -3.873 29.239 2.620 1.00 10.53 C ATOM 1531 OD1 ASN A 217 -4.844 28.514 2.410 1.00 13.05 O ATOM 1532 ND2 ASN A 217 -3.243 29.897 1.649 1.00 12.28 N ATOM 0 H ASN A 217 -5.474 30.139 5.025 1.00 9.71 H new ATOM 0 HA ASN A 217 -4.335 27.772 4.807 1.00 9.28 H new ATOM 0 HB2 ASN A 217 -3.305 30.367 4.228 1.00 9.28 H new ATOM 0 HB3 ASN A 217 -2.405 29.108 4.038 1.00 9.28 H new ATOM 0 HD21 ASN A 217 -3.512 29.824 0.835 1.00 12.28 H new ATOM 0 HD22 ASN A 217 -2.567 30.395 1.835 1.00 12.28 H new ATOM 1533 N TYR A 218 -3.697 29.407 7.370 1.00 8.45 N ATOM 1534 CA TYR A 218 -2.930 29.523 8.606 1.00 7.62 C ATOM 1535 C TYR A 218 -3.551 28.925 9.854 1.00 8.69 C ATOM 1536 O TYR A 218 -3.007 29.084 10.945 1.00 9.64 O ATOM 1537 CB TYR A 218 -2.649 31.005 8.864 1.00 8.44 C ATOM 1538 CG TYR A 218 -1.895 31.661 7.738 1.00 6.91 C ATOM 1539 CD1 TYR A 218 -0.513 31.565 7.654 1.00 8.25 C ATOM 1540 CD2 TYR A 218 -2.569 32.334 6.730 1.00 7.66 C ATOM 1541 CE1 TYR A 218 0.178 32.121 6.596 1.00 8.15 C ATOM 1542 CE2 TYR A 218 -1.888 32.887 5.666 1.00 8.55 C ATOM 1543 CZ TYR A 218 -0.514 32.778 5.603 1.00 7.99 C ATOM 1544 OH TYR A 218 0.172 33.315 4.542 1.00 9.22 O ATOM 0 H TYR A 218 -4.425 29.864 7.361 1.00 8.45 H new ATOM 0 HA TYR A 218 -2.130 28.996 8.452 1.00 7.62 H new ATOM 0 HB2 TYR A 218 -3.489 31.470 8.999 1.00 8.44 H new ATOM 0 HB3 TYR A 218 -2.140 31.095 9.684 1.00 8.44 H new ATOM 0 HD1 TYR A 218 -0.044 31.119 8.322 1.00 8.25 H new ATOM 0 HD2 TYR A 218 -3.495 32.414 6.772 1.00 7.66 H new ATOM 0 HE1 TYR A 218 1.105 32.052 6.554 1.00 8.15 H new ATOM 0 HE2 TYR A 218 -2.353 33.331 4.994 1.00 8.55 H new ATOM 0 HH TYR A 218 -0.151 34.066 4.351 1.00 9.22 H new ATOM 1545 N VAL A 219 -4.677 28.237 9.715 1.00 8.87 N ATOM 1546 CA VAL A 219 -5.331 27.681 10.891 1.00 9.25 C ATOM 1547 C VAL A 219 -4.452 26.731 11.705 1.00 8.50 C ATOM 1548 O VAL A 219 -4.439 26.799 12.934 1.00 8.82 O ATOM 1549 CB VAL A 219 -6.648 26.980 10.514 1.00 10.10 C ATOM 1550 CG1 VAL A 219 -7.289 26.379 11.758 1.00 12.30 C ATOM 1551 CG2 VAL A 219 -7.595 27.986 9.884 1.00 13.41 C ATOM 0 H VAL A 219 -5.072 28.083 8.967 1.00 8.87 H new ATOM 0 HA VAL A 219 -5.516 28.443 11.462 1.00 9.25 H new ATOM 0 HB VAL A 219 -6.463 26.270 9.879 1.00 10.10 H new ATOM 0 HG11 VAL A 219 -8.118 25.939 11.514 1.00 12.30 H new ATOM 0 HG12 VAL A 219 -6.684 25.732 12.154 1.00 12.30 H new ATOM 0 HG13 VAL A 219 -7.473 27.083 12.399 1.00 12.30 H new ATOM 0 HG21 VAL A 219 -8.425 27.544 9.646 1.00 13.41 H new ATOM 0 HG22 VAL A 219 -7.778 28.699 10.516 1.00 13.41 H new ATOM 0 HG23 VAL A 219 -7.188 28.359 9.086 1.00 13.41 H new ATOM 1552 N SER A 220 -3.716 25.849 11.037 1.00 9.45 N ATOM 1553 CA SER A 220 -2.844 24.927 11.760 1.00 9.99 C ATOM 1554 C SER A 220 -1.755 25.705 12.507 1.00 10.37 C ATOM 1555 O SER A 220 -1.464 25.422 13.666 1.00 10.65 O ATOM 1556 CB SER A 220 -2.207 23.923 10.797 1.00 13.59 C ATOM 1557 OG SER A 220 -3.186 23.073 10.225 1.00 19.45 O ATOM 0 H SER A 220 -3.705 25.767 10.181 1.00 9.45 H new ATOM 0 HA SER A 220 -3.380 24.439 12.404 1.00 9.99 H new ATOM 0 HB2 SER A 220 -1.737 24.398 10.094 1.00 13.59 H new ATOM 0 HB3 SER A 220 -1.548 23.390 11.269 1.00 13.59 H new ATOM 0 HG SER A 220 -3.667 23.515 9.697 1.00 19.45 H new ATOM 1558 N TRP A 221 -1.157 26.687 11.840 1.00 9.46 N ATOM 1559 CA TRP A 221 -0.119 27.503 12.464 1.00 8.89 C ATOM 1560 C TRP A 221 -0.682 28.272 13.660 1.00 7.98 C ATOM 1561 O TRP A 221 -0.044 28.359 14.707 1.00 8.71 O ATOM 1562 CB TRP A 221 0.467 28.494 11.452 1.00 9.36 C ATOM 1563 CG TRP A 221 1.424 29.481 12.064 1.00 9.23 C ATOM 1564 CD1 TRP A 221 2.707 29.241 12.476 1.00 9.15 C ATOM 1565 CD2 TRP A 221 1.159 30.857 12.366 1.00 8.05 C ATOM 1566 NE1 TRP A 221 3.252 30.384 13.016 1.00 9.48 N ATOM 1567 CE2 TRP A 221 2.322 31.389 12.961 1.00 9.08 C ATOM 1568 CE3 TRP A 221 0.049 31.690 12.194 1.00 8.63 C ATOM 1569 CZ2 TRP A 221 2.405 32.716 13.382 1.00 9.03 C ATOM 1570 CZ3 TRP A 221 0.135 33.008 12.613 1.00 8.84 C ATOM 1571 CH2 TRP A 221 1.303 33.507 13.200 1.00 9.76 C ATOM 0 H TRP A 221 -1.337 26.897 11.026 1.00 9.46 H new ATOM 0 HA TRP A 221 0.583 26.908 12.772 1.00 8.89 H new ATOM 0 HB2 TRP A 221 0.925 28.000 10.754 1.00 9.36 H new ATOM 0 HB3 TRP A 221 -0.258 28.978 11.027 1.00 9.36 H new ATOM 0 HD1 TRP A 221 3.146 28.425 12.402 1.00 9.15 H new ATOM 0 HE1 TRP A 221 4.047 30.456 13.336 1.00 9.48 H new ATOM 0 HE3 TRP A 221 -0.732 31.366 11.806 1.00 8.63 H new ATOM 0 HZ2 TRP A 221 3.180 33.051 13.772 1.00 9.03 H new ATOM 0 HZ3 TRP A 221 -0.597 33.571 12.502 1.00 8.84 H new ATOM 0 HH2 TRP A 221 1.331 34.396 13.472 1.00 9.76 H new ATOM 1572 N ILE A 222 -1.873 28.838 13.501 1.00 8.35 N ATOM 1573 CA ILE A 222 -2.489 29.584 14.590 1.00 8.82 C ATOM 1574 C ILE A 222 -2.753 28.678 15.790 1.00 9.44 C ATOM 1575 O ILE A 222 -2.355 28.988 16.911 1.00 9.75 O ATOM 1576 CB ILE A 222 -3.824 30.224 14.150 1.00 8.67 C ATOM 1577 CG1 ILE A 222 -3.558 31.328 13.126 1.00 9.73 C ATOM 1578 CG2 ILE A 222 -4.556 30.787 15.362 1.00 10.38 C ATOM 1579 CD1 ILE A 222 -4.819 31.906 12.508 1.00 10.03 C ATOM 0 H ILE A 222 -2.337 28.803 12.778 1.00 8.35 H new ATOM 0 HA ILE A 222 -1.866 30.285 14.840 1.00 8.82 H new ATOM 0 HB ILE A 222 -4.383 29.546 13.739 1.00 8.67 H new ATOM 0 HG12 ILE A 222 -3.061 32.042 13.554 1.00 9.73 H new ATOM 0 HG13 ILE A 222 -2.995 30.974 12.420 1.00 9.73 H new ATOM 0 HG21 ILE A 222 -5.393 31.187 15.078 1.00 10.38 H new ATOM 0 HG22 ILE A 222 -4.737 30.072 15.992 1.00 10.38 H new ATOM 0 HG23 ILE A 222 -4.005 31.461 15.789 1.00 10.38 H new ATOM 0 HD11 ILE A 222 -4.580 32.597 11.871 1.00 10.03 H new ATOM 0 HD12 ILE A 222 -5.308 31.203 12.053 1.00 10.03 H new ATOM 0 HD13 ILE A 222 -5.376 32.288 13.205 1.00 10.03 H new ATOM 1580 N LYS A 223 -3.414 27.552 15.549 1.00 9.86 N ATOM 1581 CA LYS A 223 -3.729 26.621 16.625 1.00 10.20 C ATOM 1582 C LYS A 223 -2.492 26.077 17.335 1.00 10.49 C ATOM 1583 O LYS A 223 -2.453 26.011 18.564 1.00 10.82 O ATOM 1584 CB LYS A 223 -4.570 25.458 16.086 1.00 11.22 C ATOM 1585 CG LYS A 223 -6.005 25.832 15.731 1.00 13.71 C ATOM 1586 CD LYS A 223 -6.730 24.644 15.108 1.00 16.72 C ATOM 1587 CE LYS A 223 -8.190 24.951 14.802 1.00 20.43 C ATOM 1588 NZ LYS A 223 -9.054 24.955 16.016 1.00 22.54 N ATOM 0 H LYS A 223 -3.689 27.309 14.771 1.00 9.86 H new ATOM 0 HA LYS A 223 -4.233 27.123 17.284 1.00 10.20 H new ATOM 0 HB2 LYS A 223 -4.136 25.098 15.297 1.00 11.22 H new ATOM 0 HB3 LYS A 223 -4.586 24.750 16.749 1.00 11.22 H new ATOM 0 HG2 LYS A 223 -6.475 26.123 16.528 1.00 13.71 H new ATOM 0 HG3 LYS A 223 -6.006 26.579 15.112 1.00 13.71 H new ATOM 0 HD2 LYS A 223 -6.278 24.385 14.290 1.00 16.72 H new ATOM 0 HD3 LYS A 223 -6.681 23.886 15.711 1.00 16.72 H new ATOM 0 HE2 LYS A 223 -8.249 25.816 14.367 1.00 20.43 H new ATOM 0 HE3 LYS A 223 -8.528 24.294 14.173 1.00 20.43 H new ATOM 0 HZ1 LYS A 223 -9.893 25.139 15.783 1.00 22.54 H new ATOM 0 HZ2 LYS A 223 -9.023 24.155 16.405 1.00 22.54 H new ATOM 0 HZ3 LYS A 223 -8.763 25.573 16.586 1.00 22.54 H new ATOM 1589 N GLN A 224 -1.479 25.685 16.573 1.00 9.73 N ATOM 1590 CA GLN A 224 -0.272 25.146 17.181 1.00 11.01 C ATOM 1591 C GLN A 224 0.519 26.221 17.921 1.00 11.03 C ATOM 1592 O GLN A 224 1.062 25.970 18.998 1.00 11.01 O ATOM 1593 CB GLN A 224 0.588 24.468 16.109 1.00 14.13 C ATOM 1594 CG GLN A 224 -0.124 23.286 15.459 1.00 19.80 C ATOM 1595 CD GLN A 224 0.655 22.656 14.320 1.00 22.48 C ATOM 1596 OE1 GLN A 224 0.125 21.819 13.587 1.00 25.07 O ATOM 1597 NE2 GLN A 224 1.914 23.047 14.166 1.00 24.55 N ATOM 0 H GLN A 224 -1.470 25.722 15.714 1.00 9.73 H new ATOM 0 HA GLN A 224 -0.533 24.485 17.842 1.00 11.01 H new ATOM 0 HB2 GLN A 224 0.822 25.117 15.427 1.00 14.13 H new ATOM 0 HB3 GLN A 224 1.418 24.163 16.508 1.00 14.13 H new ATOM 0 HG2 GLN A 224 -0.296 22.611 16.134 1.00 19.80 H new ATOM 0 HG3 GLN A 224 -0.986 23.581 15.126 1.00 19.80 H new ATOM 0 HE21 GLN A 224 2.250 23.634 14.697 1.00 24.55 H new ATOM 0 HE22 GLN A 224 2.394 22.714 13.535 1.00 24.55 H new ATOM 1598 N THR A 225 0.567 27.424 17.360 1.00 10.05 N ATOM 1599 CA THR A 225 1.302 28.512 17.991 1.00 10.12 C ATOM 1600 C THR A 225 0.661 28.946 19.312 1.00 10.30 C ATOM 1601 O THR A 225 1.356 29.166 20.302 1.00 10.72 O ATOM 1602 CB THR A 225 1.413 29.727 17.042 1.00 9.40 C ATOM 1603 OG1 THR A 225 2.143 29.349 15.868 1.00 10.42 O ATOM 1604 CG2 THR A 225 2.134 30.876 17.732 1.00 10.63 C ATOM 0 H THR A 225 0.183 27.630 16.619 1.00 10.05 H new ATOM 0 HA THR A 225 2.191 28.175 18.183 1.00 10.12 H new ATOM 0 HB THR A 225 0.520 30.016 16.799 1.00 9.40 H new ATOM 0 HG1 THR A 225 1.621 28.987 15.318 1.00 10.42 H new ATOM 0 HG21 THR A 225 2.196 31.630 17.125 1.00 10.63 H new ATOM 0 HG22 THR A 225 1.640 31.139 18.524 1.00 10.63 H new ATOM 0 HG23 THR A 225 3.026 30.592 17.987 1.00 10.63 H new ATOM 1605 N ILE A 226 -0.662 29.064 19.337 1.00 10.12 N ATOM 1606 CA ILE A 226 -1.344 29.465 20.564 1.00 11.27 C ATOM 1607 C ILE A 226 -1.189 28.399 21.645 1.00 11.05 C ATOM 1608 O ILE A 226 -1.000 28.712 22.823 1.00 12.12 O ATOM 1609 CB ILE A 226 -2.853 29.710 20.322 1.00 13.39 C ATOM 1610 CG1 ILE A 226 -3.070 31.095 19.712 1.00 16.27 C ATOM 1611 CG2 ILE A 226 -3.622 29.591 21.633 1.00 16.97 C ATOM 1612 CD1 ILE A 226 -2.338 31.321 18.444 1.00 20.28 C ATOM 0 H ILE A 226 -1.178 28.919 18.665 1.00 10.12 H new ATOM 0 HA ILE A 226 -0.931 30.293 20.857 1.00 11.27 H new ATOM 0 HB ILE A 226 -3.182 29.039 19.704 1.00 13.39 H new ATOM 0 HG12 ILE A 226 -4.018 31.223 19.553 1.00 16.27 H new ATOM 0 HG13 ILE A 226 -2.797 31.767 20.356 1.00 16.27 H new ATOM 0 HG21 ILE A 226 -4.566 29.746 21.470 1.00 16.97 H new ATOM 0 HG22 ILE A 226 -3.500 28.702 22.001 1.00 16.97 H new ATOM 0 HG23 ILE A 226 -3.291 30.249 22.264 1.00 16.97 H new ATOM 0 HD11 ILE A 226 -2.523 32.216 18.118 1.00 20.28 H new ATOM 0 HD12 ILE A 226 -1.385 31.224 18.598 1.00 20.28 H new ATOM 0 HD13 ILE A 226 -2.626 30.671 17.784 1.00 20.28 H new ATOM 1613 N ALA A 227 -1.262 27.138 21.237 1.00 10.18 N ATOM 1614 CA ALA A 227 -1.142 26.025 22.171 1.00 10.30 C ATOM 1615 C ALA A 227 0.247 25.918 22.798 1.00 11.68 C ATOM 1616 O ALA A 227 0.396 25.365 23.888 1.00 13.13 O ATOM 1617 CB ALA A 227 -1.494 24.715 21.462 1.00 11.01 C ATOM 0 H ALA A 227 -1.381 26.904 20.418 1.00 10.18 H new ATOM 0 HA ALA A 227 -1.765 26.195 22.895 1.00 10.30 H new ATOM 0 HB1 ALA A 227 -1.413 23.977 22.086 1.00 11.01 H new ATOM 0 HB2 ALA A 227 -2.405 24.760 21.132 1.00 11.01 H new ATOM 0 HB3 ALA A 227 -0.887 24.576 20.718 1.00 11.01 H new ATOM 1618 N SER A 228 1.258 26.447 22.116 1.00 11.04 N ATOM 1619 CA SER A 228 2.629 26.378 22.607 1.00 12.01 C ATOM 1620 C SER A 228 3.148 27.682 23.199 1.00 11.78 C ATOM 1621 O SER A 228 4.330 27.784 23.522 1.00 12.88 O ATOM 1622 CB SER A 228 3.560 25.941 21.473 1.00 13.34 C ATOM 1623 OG SER A 228 3.174 24.683 20.952 1.00 17.33 O ATOM 0 H SER A 228 1.170 26.852 21.363 1.00 11.04 H new ATOM 0 HA SER A 228 2.620 25.730 23.329 1.00 12.01 H new ATOM 0 HB2 SER A 228 3.547 26.605 20.766 1.00 13.34 H new ATOM 0 HB3 SER A 228 4.472 25.893 21.800 1.00 13.34 H new ATOM 0 HG SER A 228 2.589 24.793 20.360 1.00 17.33 H new ATOM 1624 N ASN A 229 2.275 28.672 23.351 1.00 11.80 N ATOM 1625 CA ASN A 229 2.685 29.964 23.894 1.00 11.59 C ATOM 1626 C ASN A 229 1.658 30.537 24.861 1.00 12.86 C ATOM 1627 O ASN A 229 1.804 31.721 25.226 1.00 14.17 O ATOM 1628 CB ASN A 229 2.921 30.954 22.747 1.00 11.97 C ATOM 1629 CG ASN A 229 4.163 30.625 21.942 1.00 12.36 C ATOM 1630 OD1 ASN A 229 5.273 30.999 22.317 1.00 13.76 O ATOM 1631 ND2 ASN A 229 3.984 29.911 20.836 1.00 11.81 N ATOM 1632 OXT ASN A 229 0.732 29.795 25.248 1.00 15.22 O ATOM 0 H ASN A 229 1.441 28.617 23.146 1.00 11.80 H new ATOM 0 HA ASN A 229 3.506 29.823 24.391 1.00 11.59 H new ATOM 0 HB2 ASN A 229 2.149 30.954 22.160 1.00 11.97 H new ATOM 0 HB3 ASN A 229 3.002 31.850 23.109 1.00 11.97 H new ATOM 0 HD21 ASN A 229 4.660 29.693 20.351 1.00 11.81 H new ATOM 0 HD22 ASN A 229 3.192 29.667 20.605 1.00 11.81 H new TER 1633 ASN A 229 HETATM 1634 CA CA A 402 -14.359 53.848 23.371 1.00 8.60 CA HETATM 1635 S SO4 A 403 -1.746 50.792 6.730 1.00 29.73 S HETATM 1636 O1 SO4 A 403 -1.628 51.715 7.873 1.00 33.48 O HETATM 1637 O2 SO4 A 403 -1.123 51.396 5.537 1.00 32.43 O HETATM 1638 O3 SO4 A 403 -3.171 50.542 6.456 1.00 33.34 O HETATM 1639 O4 SO4 A 403 -1.066 49.526 7.053 1.00 33.45 O HETATM 1640 C1 MI2 A 401 -3.584 49.244 1.463 1.00 16.43 C HETATM 1641 C2 MI2 A 401 -3.594 48.999 2.878 1.00 17.09 C HETATM 1642 N3 MI2 A 401 -2.341 49.111 3.342 1.00 18.69 N HETATM 1643 C4 MI2 A 401 -1.527 49.415 2.301 1.00 20.27 C HETATM 1644 C5 MI2 A 401 -2.270 49.506 1.118 1.00 18.87 C HETATM 1645 C6 MI2 A 401 -0.025 49.613 2.422 1.00 23.11 C HETATM 1646 C7 MI2 A 401 0.564 50.774 1.761 1.00 24.57 C HETATM 1647 C8 MI2 A 401 1.985 51.012 1.838 1.00 25.63 C HETATM 1648 C9 MI2 A 401 2.837 50.110 2.566 1.00 26.40 C HETATM 1649 C10 MI2 A 401 2.272 48.959 3.225 1.00 25.51 C HETATM 1650 C11 MI2 A 401 0.846 48.684 3.172 1.00 24.71 C HETATM 1651 C12 MI2 A 401 0.359 47.460 3.893 1.00 25.95 C HETATM 1652 C13 MI2 A 401 -4.846 48.687 3.546 1.00 17.23 C HETATM 1653 C14 MI2 A 401 -6.059 48.630 2.755 1.00 15.75 C HETATM 1654 C15 MI2 A 401 -6.011 48.882 1.324 1.00 15.91 C HETATM 1655 C16 MI2 A 401 -4.771 49.200 0.641 1.00 16.25 C HETATM 1656 C17 MI2 A 401 -7.245 48.808 0.539 1.00 16.21 C HETATM 1657 N18 MI2 A 401 -8.190 47.794 0.823 1.00 16.02 N HETATM 1658 N19 MI2 A 401 -7.500 49.721 -0.503 1.00 18.14 N HETATM 0 HN18 MI2 A 401 -8.827 47.825 0.246 1.00 16.02 H new HETATM 0 H192 MI2 A 401 -8.229 49.665 -0.955 1.00 18.14 H new HETATM 0 H191 MI2 A 401 -6.926 50.335 -0.687 1.00 18.14 H new HETATM 0 H123 MI2 A 401 -0.281 47.719 4.574 1.00 25.95 H new HETATM 0 H122 MI2 A 401 -0.067 46.860 3.261 1.00 25.95 H new HETATM 0 H121 MI2 A 401 1.110 47.010 4.310 1.00 25.95 H new HETATM 0 HN3 MI2 A 401 -2.096 49.008 4.160 1.00 18.69 H new HETATM 0 H9 MI2 A 401 3.791 50.276 2.613 1.00 26.40 H new HETATM 0 H8 MI2 A 401 2.368 51.786 1.396 1.00 25.63 H new HETATM 0 H7 MI2 A 401 -0.002 51.388 1.268 1.00 24.57 H new HETATM 0 H5 MI2 A 401 -1.931 49.712 0.233 1.00 18.87 H new HETATM 0 H16 MI2 A 401 -4.741 49.373 -0.313 1.00 16.25 H new HETATM 0 H14 MI2 A 401 -6.905 48.423 3.182 1.00 15.75 H new HETATM 0 H13 MI2 A 401 -4.869 48.520 4.501 1.00 17.23 H new HETATM 0 H10 MI2 A 401 2.855 48.357 3.713 1.00 25.51 H new HETATM 1659 O HOH A 404 -0.548 36.976 2.821 1.00 8.27 O HETATM 1660 O HOH A 405 -9.458 53.606 21.832 1.00 9.97 O HETATM 1661 O HOH A 406 -11.912 54.116 24.172 1.00 11.37 O HETATM 1662 O HOH A 407 -9.397 32.247 4.329 1.00 8.56 O HETATM 1663 O HOH A 408 -15.897 41.973 10.393 1.00 9.45 O HETATM 1664 O HOH A 409 -0.999 39.725 2.064 1.00 9.22 O HETATM 1665 O HOH A 410 -7.448 52.887 20.022 1.00 10.77 O HETATM 1666 O HOH A 411 -16.647 52.714 22.788 1.00 10.91 O HETATM 1667 O HOH A 412 -13.915 59.451 27.360 1.00 11.89 O HETATM 1668 O HOH A 413 -18.319 46.300 17.285 1.00 10.85 O HETATM 1669 O HOH A 414 -7.837 40.083 12.085 1.00 10.13 O HETATM 1670 O HOH A 415 -9.379 49.396 12.231 1.00 8.99 O HETATM 1671 O HOH A 416 -9.943 46.920 11.060 1.00 9.40 O HETATM 1672 O HOH A 417 -12.993 61.193 25.421 1.00 14.06 O HETATM 1673 O HOH A 418 -12.670 46.881 20.227 1.00 8.81 O HETATM 1674 O HOH A 419 9.842 40.243 6.277 1.00 10.35 O HETATM 1675 O HOH A 420 3.026 40.736 -3.298 1.00 13.92 O HETATM 1676 O HOH A 421 10.300 35.748 6.876 1.00 14.16 O HETATM 1677 O HOH A 422 -9.409 36.574 -4.838 1.00 11.59 O HETATM 1678 O HOH A 423 -7.234 45.288 2.147 1.00 10.10 O HETATM 1679 O HOH A 424 -14.000 43.697 20.946 1.00 11.03 O HETATM 1680 O HOH A 425 -13.560 53.168 8.738 1.00 11.66 O HETATM 1681 O HOH A 426 -17.731 30.089 0.989 1.00 13.58 O HETATM 1682 O HOH A 427 -15.654 46.316 18.730 1.00 11.12 O HETATM 1683 O HOH A 428 -20.343 51.694 14.734 1.00 12.87 O HETATM 1684 O HOH A 429 -16.386 44.597 28.308 1.00 14.40 O HETATM 1685 O HOH A 430 -16.505 31.003 5.692 1.00 13.59 O HETATM 1686 O HOH A 431 -2.162 30.092 24.889 1.00 14.49 O HETATM 1687 O HOH A 432 -12.228 45.507 -0.327 1.00 13.86 O HETATM 1688 O HOH A 433 -10.136 55.540 25.193 1.00 14.48 O HETATM 1689 O HOH A 434 -11.076 31.787 2.023 1.00 15.18 O HETATM 1690 O HOH A 435 -17.455 50.822 24.645 1.00 11.84 O HETATM 1691 O HOH A 436 6.259 45.194 7.903 1.00 17.42 O HETATM 1692 O HOH A 437 -18.377 49.066 17.844 1.00 11.14 O HETATM 1693 O HOH A 438 -10.635 61.045 14.130 1.00 16.60 O HETATM 1694 O HOH A 439 -19.896 39.371 11.924 1.00 15.69 O HETATM 1695 O HOH A 440 -6.426 57.079 18.072 1.00 16.09 O HETATM 1696 O HOH A 441 -17.516 45.438 20.567 1.00 14.18 O HETATM 1697 O HOH A 442 -11.459 35.504 31.017 1.00 17.57 O HETATM 1698 O HOH A 443 -16.998 34.804 22.734 1.00 14.54 O HETATM 1699 O HOH A 444 6.268 44.020 10.529 1.00 14.64 O HETATM 1700 O HOH A 445 1.676 28.616 8.188 1.00 16.09 O HETATM 1701 O HOH A 446 0.171 36.972 -11.739 1.00 16.91 O HETATM 1702 O HOH A 447 10.386 45.717 3.617 1.00 16.23 O HETATM 1703 O HOH A 448 7.355 35.061 0.504 1.00 14.95 O HETATM 1704 O HOH A 449 -4.910 25.703 19.891 1.00 15.30 O HETATM 1705 O HOH A 450 5.591 31.555 2.049 1.00 18.99 O HETATM 1706 O HOH A 451 -5.483 56.935 21.924 1.00 15.67 O HETATM 1707 O HOH A 452 -1.893 38.273 -13.365 1.00 16.58 O HETATM 1708 O HOH A 453 -9.157 29.274 20.153 1.00 20.91 O HETATM 1709 O HOH A 454 -15.411 37.584 -8.936 1.00 22.15 O HETATM 1710 O HOH A 455 -17.639 32.677 15.022 1.00 21.79 O HETATM 1711 O HOH A 456 -17.466 54.160 5.201 1.00 20.63 O HETATM 1712 O HOH A 457 -11.564 31.361 17.320 1.00 19.06 O HETATM 1713 O HOH A 458 -0.777 50.737 -2.131 1.00 16.73 O HETATM 1714 O HOH A 459 3.734 44.654 -1.238 1.00 13.56 O HETATM 1715 O HOH A 460 -18.670 36.397 24.160 1.00 18.39 O HETATM 1716 O HOH A 461 -2.993 45.180 30.829 1.00 18.74 O HETATM 1717 O HOH A 462 7.648 37.156 -0.977 1.00 16.64 O HETATM 1718 O HOH A 463 8.700 34.335 2.784 1.00 16.20 O HETATM 1719 O HOH A 464 -19.827 58.212 19.217 1.00 22.53 O HETATM 1720 O HOH A 465 -14.350 59.766 8.720 1.00 20.38 O HETATM 1721 O HOH A 466 -11.765 28.816 16.268 1.00 19.37 O HETATM 1722 O HOH A 467 -10.235 33.079 30.139 1.00 15.53 O HETATM 1723 O HOH A 468 -1.113 26.711 8.834 1.00 14.29 O HETATM 1724 O HOH A 469 3.498 44.857 22.690 1.00 23.40 O HETATM 1725 O HOH A 470 -20.056 50.507 23.812 1.00 17.08 O HETATM 1726 O HOH A 471 -20.915 40.592 14.084 1.00 19.09 O HETATM 1727 O HOH A 472 -22.020 47.393 2.704 1.00 18.52 O HETATM 1728 O HOH A 473 -11.433 48.970 -4.178 1.00 17.63 O HETATM 1729 O HOH A 474 -21.769 53.680 16.211 1.00 16.03 O HETATM 1730 O HOH A 475 -0.887 38.264 -9.136 1.00 19.10 O HETATM 1731 O HOH A 476 -15.170 26.991 7.756 1.00 25.13 O HETATM 1732 O HOH A 477 -20.901 36.025 9.388 1.00 21.41 O HETATM 1733 O HOH A 478 14.354 44.936 -0.399 1.00 22.09 O HETATM 1734 O HOH A 479 -16.969 43.515 -8.785 1.00 23.80 O HETATM 1735 O HOH A 480 -13.116 46.922 -3.349 1.00 16.89 O HETATM 1736 O HOH A 481 4.385 43.614 20.297 1.00 21.82 O HETATM 1737 O HOH A 482 -17.249 37.527 -6.783 1.00 19.80 O HETATM 1738 O HOH A 483 8.289 49.252 17.263 1.00 25.92 O HETATM 1739 O HOH A 484 -10.136 56.437 13.086 1.00 25.24 O HETATM 1740 O HOH A 485 -20.766 55.436 19.883 1.00 26.28 O HETATM 1741 O HOH A 486 -18.264 30.231 3.666 1.00 28.48 O HETATM 1742 O HOH A 487 -11.247 31.588 25.482 1.00 22.36 O HETATM 1743 O HOH A 488 2.012 52.823 13.559 1.00 23.12 O HETATM 1744 O HOH A 489 -22.130 46.600 0.069 1.00 22.74 O HETATM 1745 O HOH A 490 0.931 37.494 31.339 1.00 21.67 O HETATM 1746 O HOH A 491 -4.696 25.437 8.277 1.00 32.18 O HETATM 1747 O HOH A 492 -16.946 56.616 2.729 1.00 21.17 O HETATM 1748 O HOH A 493 -10.607 31.414 -0.617 1.00 19.55 O HETATM 1749 O HOH A 494 -14.273 35.242 29.882 1.00 20.33 O HETATM 1750 O HOH A 495 -8.741 26.317 7.174 1.00 32.99 O HETATM 1751 O HOH A 496 -22.020 50.201 2.249 1.00 21.53 O HETATM 1752 O HOH A 497 -18.110 42.747 -6.529 1.00 21.12 O HETATM 1753 O HOH A 498 4.507 55.648 18.393 1.00 25.21 O HETATM 1754 O HOH A 499 -1.937 52.634 24.876 1.00 26.12 O HETATM 1755 O HOH A 500 -24.324 52.896 17.584 1.00 24.87 O HETATM 1756 O HOH A 501 -5.931 26.114 3.143 1.00 23.20 O HETATM 1757 O HOH A 502 -9.308 32.740 -2.721 1.00 26.14 O HETATM 1758 O HOH A 503 -6.711 28.970 -0.759 1.00 44.96 O HETATM 1759 O HOH A 504 3.829 31.701 -1.025 1.00 32.41 O HETATM 1760 O HOH A 505 -2.023 52.901 -1.555 1.00 22.16 O HETATM 1761 O HOH A 506 7.816 36.320 19.314 1.00 30.34 O HETATM 1762 O HOH A 507 11.057 43.989 7.505 1.00 23.60 O HETATM 1763 O HOH A 508 -21.048 36.078 5.449 1.00 24.20 O HETATM 1764 O HOH A 509 -2.810 48.180 29.629 1.00 21.80 O HETATM 1765 O HOH A 510 -18.035 34.054 20.199 1.00 26.70 O HETATM 1766 O HOH A 511 -8.590 50.859 -4.454 1.00 19.76 O HETATM 1767 O HOH A 512 10.998 35.921 2.424 1.00 24.33 O HETATM 1768 O HOH A 513 -13.364 32.005 23.113 1.00 27.74 O HETATM 1769 O HOH A 514 -10.912 25.698 12.751 1.00 26.04 O HETATM 1770 O HOH A 515 -4.057 33.327 -4.988 1.00 29.77 O HETATM 1771 O HOH A 516 -9.597 42.482 -12.359 1.00 26.86 O HETATM 1772 O HOH A 517 -5.235 35.726 32.562 1.00 19.26 O HETATM 1773 O HOH A 518 -10.237 42.759 31.184 1.00 21.68 O HETATM 1774 O HOH A 519 -7.614 57.220 0.538 1.00 37.39 O HETATM 1775 O HOH A 520 3.373 29.991 1.128 1.00 28.27 O HETATM 1776 O HOH A 521 -9.986 48.200 30.736 1.00 25.10 O HETATM 1777 O HOH A 522 -23.533 48.096 23.176 1.00 32.48 O HETATM 1778 O HOH A 523 -24.005 54.735 8.247 1.00 28.71 O HETATM 1779 O HOH A 524 0.652 36.400 28.890 1.00 20.66 O HETATM 1780 O HOH A 525 1.692 31.358 -4.498 1.00 28.50 O HETATM 1781 O HOH A 526 -8.149 57.121 20.285 1.00 26.94 O HETATM 1782 O HOH A 527 2.258 45.798 25.650 1.00 22.23 O HETATM 1783 O HOH A 528 -8.172 41.036 31.793 1.00 23.07 O HETATM 1784 O HOH A 529 -7.395 56.204 -3.265 1.00 26.59 O HETATM 1785 O HOH A 530 -22.054 38.473 20.789 1.00 30.07 O HETATM 1786 O HOH A 531 -5.916 32.168 -10.252 1.00 38.38 O HETATM 1787 O HOH A 532 -23.236 39.500 27.944 1.00 31.57 O HETATM 1788 O HOH A 533 4.015 33.277 25.944 1.00 26.63 O HETATM 1789 O HOH A 534 -19.733 51.623 -5.169 1.00 47.69 O HETATM 1790 O HOH A 535 -23.412 43.199 21.578 1.00 27.35 O HETATM 1791 O HOH A 536 -17.678 30.651 -6.709 1.00 26.92 O HETATM 1792 O HOH A 537 5.969 28.915 6.817 1.00 43.49 O HETATM 1793 O HOH A 538 -1.848 51.777 -8.937 1.00 36.23 O HETATM 1794 O HOH A 539 -5.198 57.379 15.197 1.00 30.94 O HETATM 1795 O HOH A 540 -15.788 27.398 3.855 1.00 36.45 O HETATM 1796 O HOH A 541 7.014 27.086 23.301 1.00 24.56 O HETATM 1797 O HOH A 542 -1.420 26.197 4.470 1.00 32.42 O HETATM 1798 O HOH A 543 5.048 53.394 17.185 1.00 37.47 O HETATM 1799 O HOH A 544 -1.340 31.948 -6.436 1.00 31.25 O HETATM 1800 O HOH A 545 6.166 46.598 11.517 1.00 33.90 O HETATM 1801 O HOH A 546 -17.697 40.766 31.216 1.00 23.09 O HETATM 1802 O HOH A 547 -6.674 59.472 -0.414 1.00 40.01 O HETATM 1803 O HOH A 548 3.736 43.124 -4.127 1.00 29.47 O HETATM 1804 O HOH A 549 -15.425 31.879 18.503 1.00 35.42 O HETATM 1805 O HOH A 550 -14.378 49.297 -4.732 1.00 33.62 O HETATM 1806 O HOH A 551 0.071 28.759 0.611 1.00 26.86 O HETATM 1807 O HOH A 552 -1.362 52.687 -4.554 1.00 30.89 O HETATM 1808 O HOH A 553 -3.881 50.478 9.662 1.00 24.43 O HETATM 1809 O HOH A 554 -15.471 51.360 30.113 1.00 29.70 O HETATM 1810 O HOH A 555 -17.482 55.908 -2.292 1.00 34.28 O HETATM 1811 O HOH A 556 8.890 33.394 22.948 1.00 38.43 O HETATM 1812 O HOH A 557 -12.503 62.720 15.197 1.00 29.50 O HETATM 1813 O HOH A 558 -23.758 50.766 26.130 1.00 41.78 O HETATM 1814 O HOH A 559 -25.094 41.885 27.273 1.00 36.32 O HETATM 1815 O HOH A 560 7.636 29.799 22.687 1.00 26.70 O HETATM 1816 O HOH A 561 -11.712 37.533 -14.157 1.00 34.92 O HETATM 1817 O HOH A 562 -1.846 56.593 3.590 1.00 46.58 O HETATM 1818 O HOH A 563 -13.741 29.969 -5.220 1.00 22.24 O HETATM 1819 O HOH A 564 2.753 29.925 3.888 1.00 39.34 O HETATM 1820 O HOH A 565 -15.231 66.393 2.390 1.00 41.64 O HETATM 1821 O HOH A 566 -15.584 48.549 30.851 1.00 31.55 O HETATM 1822 O HOH A 567 0.299 34.108 -8.422 1.00 28.80 O HETATM 1823 O HOH A 568 -17.471 62.946 5.020 1.00 40.32 O HETATM 1824 O HOH A 569 -11.721 47.969 -6.950 1.00 22.18 O HETATM 1825 O HOH A 570 1.974 26.620 3.747 1.00 49.52 O HETATM 1826 O HOH A 571 -21.034 45.039 31.772 1.00 39.89 O HETATM 1827 O HOH A 572 -3.881 43.169 32.353 1.00 34.33 O HETATM 1828 O HOH A 573 -12.978 56.087 -6.757 1.00 49.72 O HETATM 1829 O HOH A 574 -17.593 24.822 12.992 1.00 43.73 O HETATM 1830 O HOH A 575 0.252 51.067 24.530 1.00 26.58 O HETATM 1831 O HOH A 576 10.502 46.864 23.114 1.00 43.14 O HETATM 1832 O HOH A 577 -26.055 51.202 12.705 1.00 43.20 O HETATM 1833 O HOH A 578 4.442 51.778 20.916 1.00 46.87 O HETATM 1834 O HOH A 579 -1.936 35.637 28.935 1.00 30.19 O HETATM 1835 O HOH A 580 -14.418 39.789 -10.291 1.00 32.96 O HETATM 1836 O HOH A 581 -7.286 48.644 -3.178 1.00 28.63 O HETATM 1837 O HOH A 582 -15.676 54.663 -14.983 1.00 42.33 O HETATM 1838 O HOH A 583 -23.548 57.376 11.473 1.00 38.52 O HETATM 1839 O HOH A 584 -7.589 54.560 11.412 1.00 34.48 O HETATM 1840 O HOH A 585 -23.100 33.154 4.439 1.00 33.45 O HETATM 1841 O HOH A 586 -7.473 37.244 33.141 1.00 44.16 O HETATM 1842 O HOH A 587 -21.772 47.598 -11.386 1.00 40.94 O HETATM 1843 O HOH A 588 -1.274 57.454 0.404 1.00 39.27 O HETATM 1844 O HOH A 589 1.158 50.105 9.893 1.00 36.66 O HETATM 1845 O HOH A 590 -8.135 31.976 31.543 1.00 18.36 O HETATM 1846 O HOH A 591 5.589 36.487 -2.592 1.00 16.49 O HETATM 1847 O HOH A 592 -18.598 39.965 -7.092 1.00 19.85 O HETATM 1848 O HOH A 593 -4.014 52.764 0.235 1.00 21.72 O HETATM 1849 O HOH A 594 -8.926 57.620 23.700 1.00 18.45 O HETATM 1850 O HOH A 595 -18.291 56.852 5.249 1.00 28.37 O HETATM 1851 O HOH A 596 -21.837 52.656 23.144 1.00 23.03 O HETATM 1852 O HOH A 597 -18.444 36.777 17.621 1.00 20.99 O HETATM 1853 O HOH A 598 -8.072 30.211 -10.637 1.00 24.64 O HETATM 1854 O HOH A 599 4.328 31.887 -3.968 1.00 29.26 O HETATM 1855 O HOH A 600 -9.977 58.178 26.257 1.00 19.84 O HETATM 1856 O HOH A 601 -8.815 29.683 -2.133 1.00 38.87 O HETATM 1857 O HOH A 602 -20.285 36.618 12.683 1.00 32.10 O HETATM 1858 O HOH A 603 -11.709 28.978 20.787 1.00 26.08 O HETATM 1859 O HOH A 604 -22.638 56.405 15.821 1.00 26.91 O HETATM 1860 O HOH A 605 -5.551 56.614 2.961 1.00 29.19 O HETATM 1861 O HOH A 606 -10.750 58.712 15.521 1.00 30.13 O HETATM 1862 O HOH A 607 8.239 31.417 2.436 1.00 32.53 O HETATM 1863 O HOH A 608 2.158 49.943 12.353 1.00 34.93 O HETATM 1864 O HOH A 609 1.451 23.239 19.542 1.00 23.91 O HETATM 1865 O HOH A 610 -3.334 29.186 -8.033 1.00 37.11 O HETATM 1866 O HOH A 611 -20.188 28.049 4.145 1.00 29.85 O HETATM 1867 O HOH A 612 -5.323 37.532 34.661 1.00 27.88 O HETATM 1868 O HOH A 613 -2.397 20.022 10.410 1.00 39.04 O HETATM 1869 O HOH A 614 -4.393 22.928 19.056 1.00 28.03 O HETATM 1870 O HOH A 615 -24.425 31.000 2.823 1.00 32.71 O HETATM 1871 O HOH A 616 11.643 40.230 4.188 1.00 27.51 O HETATM 1872 O HOH A 617 -7.903 26.949 18.831 1.00 29.75 O HETATM 1873 O HOH A 618 -16.526 41.546 -10.490 1.00 27.63 O HETATM 1874 O HOH A 619 3.083 52.004 23.460 1.00 30.58 O HETATM 1875 O HOH A 620 -21.856 55.733 27.355 1.00 26.41 O HETATM 1876 O HOH A 621 -24.776 46.846 3.021 1.00 35.02 O HETATM 1877 O HOH A 622 -20.585 38.685 9.469 1.00 33.14 O HETATM 1878 O HOH A 623 12.334 44.786 22.808 1.00 43.03 O HETATM 1879 O HOH A 624 -14.605 30.344 -8.420 1.00 34.77 O HETATM 1880 O HOH A 625 -20.837 43.138 -6.665 1.00 36.27 O HETATM 1881 O HOH A 626 -21.386 53.270 -0.593 1.00 33.25 O HETATM 1882 O HOH A 627 -14.675 58.861 -0.909 1.00 33.01 O HETATM 1883 O HOH A 628 5.992 29.146 4.116 1.00 35.72 O HETATM 1884 O HOH A 629 9.488 45.861 8.698 1.00 38.82 O HETATM 1885 O HOH A 630 -16.502 60.216 5.027 1.00 39.11 O HETATM 1886 O HOH A 631 -15.134 35.792 -12.897 1.00 38.90 O HETATM 1887 O HOH A 632 -13.796 27.019 16.775 1.00 40.15 O HETATM 1888 O HOH A 633 11.883 35.361 4.821 1.00 32.62 O HETATM 1889 O HOH A 634 -15.607 27.542 -5.294 1.00 34.40 O HETATM 1890 O HOH A 635 6.142 44.871 23.663 1.00 46.07 O HETATM 1891 O HOH A 636 -3.546 58.806 3.606 1.00 31.36 O HETATM 1892 O HOH A 637 -20.852 34.431 20.428 1.00 30.91 O HETATM 1893 O HOH A 638 -11.294 33.427 -5.041 1.00 34.16 O HETATM 1894 O HOH A 639 -24.919 46.926 25.550 1.00 28.34 O HETATM 1895 O HOH A 640 -22.664 58.664 13.686 1.00 47.25 O HETATM 1896 O HOH A 641 -17.362 59.619 8.903 1.00 42.35 O HETATM 1897 O HOH A 642 8.647 35.731 21.795 1.00 39.45 O HETATM 1898 O HOH A 643 -21.695 37.577 7.358 1.00 44.64 O HETATM 1899 O HOH A 644 -16.791 32.104 23.283 1.00 38.19 O HETATM 1900 O HOH A 645 -17.381 58.188 -0.887 1.00 49.49 O HETATM 1901 O HOH A 646 -17.180 28.362 6.575 1.00 35.61 O HETATM 1902 O HOH A 647 9.828 37.684 -2.640 1.00 26.57 O HETATM 1903 O HOH A 648 -17.916 32.135 17.537 1.00 43.55 O HETATM 1904 O HOH A 649 -12.352 31.177 29.763 1.00 35.63 O HETATM 1905 O HOH A 650 -18.151 24.802 10.494 1.00 42.11 O HETATM 1906 O HOH A 651 10.318 47.142 17.356 1.00 37.58 O HETATM 1907 O HOH A 652 -10.934 50.685 30.864 1.00 43.53 O HETATM 1908 O HOH A 653 7.401 29.631 25.325 1.00 47.29 O HETATM 1909 O HOH A 654 -26.222 41.455 1.067 1.00 45.51 O HETATM 1910 O HOH A 655 7.561 48.507 13.592 1.00 42.21 O HETATM 1911 O HOH A 656 -15.230 23.706 14.110 1.00 37.47 O HETATM 1912 O HOH A 657 1.180 49.076 26.578 1.00 43.28 O HETATM 1913 O HOH A 658 -23.638 54.383 20.027 1.00 40.08 O HETATM 1914 O HOH A 659 1.766 46.864 30.822 1.00 45.76 O HETATM 1915 O HOH A 660 -11.757 25.478 15.304 1.00 47.20 O HETATM 1916 O HOH A 661 -4.631 55.268 9.702 1.00 44.41 O HETATM 1917 O HOH A 662 -22.305 56.387 24.161 1.00 46.32 O HETATM 1918 O HOH A 663 -11.777 54.976 -9.176 1.00 33.23 O HETATM 1919 O HOH A 664 -3.947 53.389 -8.711 1.00 37.80 O HETATM 1920 O HOH A 665 -7.808 52.593 -10.915 1.00 40.58 O HETATM 1921 O HOH A 666 -20.612 55.378 2.278 1.00 35.25 O HETATM 1922 O HOH A 667 -12.857 30.203 27.083 1.00 48.37 O HETATM 1923 O HOH A 668 -2.138 53.679 27.431 1.00 42.08 O HETATM 1924 O HOH A 669 -19.549 28.784 8.183 1.00 37.91 O HETATM 1925 O HOH A 670 0.104 53.938 4.509 1.00 51.08 O HETATM 1926 O HOH A 671 -2.826 59.550 0.885 1.00 38.09 O HETATM 1927 O HOH A 672 2.447 27.345 0.766 1.00 47.52 O HETATM 1928 O HOH A 673 -10.465 32.607 -10.453 1.00 32.54 O HETATM 1929 O HOH A 674 -10.161 23.293 11.951 1.00 35.82 O HETATM 1930 O HOH A 675 -20.665 36.936 19.109 1.00 29.81 O HETATM 1931 O HOH A 676 -13.464 29.673 18.684 1.00 44.77 O HETATM 1932 O HOH A 677 -24.748 45.891 19.530 1.00 31.51 O HETATM 1933 O HOH A 678 -14.572 26.515 13.261 1.00 36.04 O HETATM 1934 O HOH A 679 0.298 23.966 4.856 1.00 39.12 O HETATM 1935 O HOH A 680 -0.674 46.586 32.440 1.00 35.45 O HETATM 1936 O HOH A 681 -4.043 42.944 -15.988 1.00 35.82 O HETATM 1937 O HOH A 682 -15.160 38.524 -12.883 1.00 45.24 O HETATM 1938 O HOH A 683 -21.781 37.891 -4.074 1.00 37.05 O HETATM 1939 O HOH A 684 -9.325 38.365 -15.139 1.00 38.76 O HETATM 1940 O HOH A 685 -2.382 54.153 8.378 1.00 47.04 O HETATM 1941 O HOH A 686 -25.673 55.930 12.016 1.00 47.70 O HETATM 1942 O HOH A 687 -23.904 51.660 0.348 1.00 47.62 O HETATM 1943 O HOH A 688 0.635 24.615 8.410 1.00 33.60 O HETATM 1944 O HOH A 689 -19.677 46.625 30.055 1.00 50.86 O HETATM 1945 O HOH A 690 1.729 38.712 33.610 1.00 41.90 O HETATM 1946 O HOH A 691 -11.172 30.898 -3.642 1.00 50.09 O HETATM 1947 O HOH A 692 3.276 26.542 8.551 1.00 42.92 O HETATM 1948 O HOH A 693 -7.873 49.951 31.912 1.00 40.91 O HETATM 1949 O HOH A 694 -11.796 39.138 34.426 1.00 42.26 O HETATM 1950 O HOH A 695 -14.993 61.753 13.272 1.00 40.90 O HETATM 1951 O HOH A 696 1.213 35.153 32.719 1.00 39.22 O HETATM 1952 O HOH A 697 -25.535 39.578 5.288 1.00 45.50 O HETATM 1953 O HOH A 698 -25.812 49.859 23.346 1.00 44.58 O HETATM 1954 O HOH A 699 -25.627 48.996 19.105 1.00 33.22 O HETATM 1955 O HOH A 700 -11.230 58.389 -5.853 1.00 40.83 O HETATM 1956 O HOH A 701 5.178 47.400 9.112 1.00 38.13 O CONECT 48 1010 CONECT 185 298 CONECT 298 185 CONECT 384 1634 CONECT 397 1634 CONECT 421 1634 CONECT 461 1634 CONECT 811 1524 CONECT 853 1330 CONECT 1010 48 CONECT 1087 1193 CONECT 1193 1087 CONECT 1268 1425 CONECT 1330 853 CONECT 1425 1268 CONECT 1524 811 CONECT 1634 384 397 421 461 CONECT 1634 1661 1666 CONECT 1635 1636 1637 1638 1639 CONECT 1636 1635 CONECT 1637 1635 CONECT 1638 1635 CONECT 1639 1635 CONECT 1640 1641 1644 1655 CONECT 1641 1640 1642 1652 CONECT 1642 1641 1643 CONECT 1643 1642 1644 1645 CONECT 1644 1640 1643 CONECT 1645 1643 1646 1650 CONECT 1646 1645 1647 CONECT 1647 1646 1648 CONECT 1648 1647 1649 CONECT 1649 1648 1650 CONECT 1650 1645 1649 1651 CONECT 1651 1650 CONECT 1652 1641 1653 CONECT 1653 1652 1654 CONECT 1654 1653 1655 1656 CONECT 1655 1640 1654 CONECT 1656 1654 1657 1658 CONECT 1657 1656 CONECT 1658 1656 CONECT 1661 1634 CONECT 1666 1634 END