USER MOD reduce.3.24.130724 H: found=0, std=0, add=1705, rem=0, adj=78 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 08-JUL-16 5LH4 TITLE TRYPSIN INHIBITORS FOR THE TREATMENT OF PANCREATITIS - CPD 1 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: BOVINE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS S1 PROTEASE, COMPLEX, INHIBITOR, PANCREATITIS, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR N.SCHIERING,A.D'ARCY,P.SKAANDERUP,O.SIMIC,T.BRANDL,J.WOELCKE REVDAT 1 17-JAN-18 5LH4 0 JRNL AUTH T.BRANDL,O.SIMIC,P.R.SKAANDERUP,K.NAMOTO,F.BERST,C.EHRHARDT, JRNL AUTH 2 N.SCHIERING,I.MUELLER,J.WOELCKE JRNL TITL TRYPSIN INHIBITORS FOR THE TREATMENT OF PANCREATITIS. JRNL REF BIOORG. MED. CHEM. LETT. V. 26 4340 2016 JRNL REFN ESSN 1464-3405 JRNL PMID 27476144 JRNL DOI 10.1016/J.BMCL.2016.07.029 REMARK 2 REMARK 2 RESOLUTION. 1.37 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER 2.9.6 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN, REMARK 3 : WOMACK,MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.37 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.06 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 93.4 REMARK 3 NUMBER OF REFLECTIONS : 42358 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) : 0.154 REMARK 3 R VALUE (WORKING SET) : 0.152 REMARK 3 FREE R VALUE : 0.179 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2118 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 1.37 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 1.41 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 93.43 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 2105 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.1764 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1999 REMARK 3 BIN R VALUE (WORKING SET) : 0.1768 REMARK 3 BIN FREE R VALUE : 0.1691 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.04 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 106 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1629 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 54 REMARK 3 SOLVENT ATOMS : 294 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 13.73 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.09 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.87600 REMARK 3 B22 (A**2) : 1.82700 REMARK 3 B33 (A**2) : 0.04910 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.121 REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : 0.056 REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : 0.058 REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : 0.052 REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : 0.055 REMARK 3 REMARK 3 REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797 REMARK 3 CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.963 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : 1806 ; 2.000 ; HARMONIC REMARK 3 BOND ANGLES : 2475 ; 2.000 ; HARMONIC REMARK 3 TORSION ANGLES : 608 ; 2.000 ; SINUSOIDAL REMARK 3 TRIGONAL CARBON PLANES : 37 ; 2.000 ; HARMONIC REMARK 3 GENERAL PLANES : 274 ; 5.000 ; HARMONIC REMARK 3 ISOTROPIC THERMAL FACTORS : 1806 ; 20.000 ; HARMONIC REMARK 3 BAD NON-BONDED CONTACTS : 0 ; 5.000 ; SEMIHARMONIC REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : 237 ; 5.000 ; SEMIHARMONIC REMARK 3 SUM OF OCCUPANCIES : NULL ; NULL ; NULL REMARK 3 UTILITY DISTANCES : NULL ; NULL ; NULL REMARK 3 UTILITY ANGLES : NULL ; NULL ; NULL REMARK 3 UTILITY TORSION : NULL ; NULL ; NULL REMARK 3 IDEAL-DIST CONTACT TERM : 2419 ; 4.000 ; SEMIHARMONIC REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 4.63 REMARK 3 OTHER TORSION ANGLES (DEGREES) : 14.05 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5LH4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 08-JUL-16. REMARK 100 THE DEPOSITION ID IS D_1200000721. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-DEC-07 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SLS REMARK 200 BEAMLINE : X10SA REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.99184 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 225 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 42363 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.370 REMARK 200 RESOLUTION RANGE LOW (A) : 66.680 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 93.4 REMARK 200 DATA REDUNDANCY : 5.760 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 19.3400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: INHOUSE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.85 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.27 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALLIZATION RESERVOIR SOLUTION: 25 REMARK 280 % PEG3350, 0.2 M LISO4, 100 MM HEPES PH 7.5 CRYSTALLIZATION REMARK 280 PROTEIN SOLUTION: 100 MG/ML IN 50MM TRIS PH 7.5, 150MM NACL, 5 REMARK 280 MM CACL2. COMPLEX FORMATION METHOD = SOAKING CRYSTALLIZATION REMARK 280 PROTOCOL = EQUAL VOLUMES (2UL+2UM) CRYSTALLIZATION METHOD = REMARK 280 VAPOR DIFFUSION - HANGING DROP CRYO PROTOCOL: PRIOR TO DATA REMARK 280 COLLECTION THE CRYSTAL WAS PLUNGED INTO LIQUID NITROGEN., REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 27.29250 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 33.33300 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.11750 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 33.33300 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 27.29250 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.11750 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 610 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9230 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -22.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 71 -78.80 -121.02 REMARK 500 GLN A 192 120.52 -38.98 REMARK 500 SER A 214 -65.10 -120.11 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 694 DISTANCE = 6.81 ANGSTROMS 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 304 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE1 REMARK 620 2 ASN A 72 O 91.3 REMARK 620 3 VAL A 75 O 165.5 82.1 REMARK 620 4 GLU A 80 OE2 103.0 158.6 87.2 REMARK 620 5 HOH A 473 O 79.6 103.5 89.4 94.8 REMARK 620 6 HOH A 422 O 86.6 89.6 106.1 75.5 161.1 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 DMS A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue DMS A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA A 304 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 6W4 A 305 DBREF 5LH4 A 16 245 UNP P00760 TRY1_BOVIN 24 246 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 DMS A 301 4 HET DMS A 302 4 HET SO4 A 303 5 HET CA A 304 1 HET 6W4 A 305 41 HETNAM DMS DIMETHYL SULFOXIDE HETNAM SO4 SULFATE ION HETNAM CA CALCIUM ION HETNAM 6W4 (2~{S},4~{S})-1-[4-(AMINOMETHYL)PHENYL]CARBONYL-4-(4- HETNAM 2 6W4 CYCLOPROPYL-1,2,3-TRIAZOL-1-YL)-~{N}-(2,2- HETNAM 3 6W4 DIPHENYLETHYL)PYRROLIDINE-2-CARBOXAMIDE FORMUL 2 DMS 2(C2 H6 O S) FORMUL 4 SO4 O4 S 2- FORMUL 5 CA CA 2+ FORMUL 6 6W4 C32 H34 N6 O2 FORMUL 7 HOH *294(H2 O) HELIX 1 AA1 ALA A 55 TYR A 59 5 5 HELIX 2 AA2 SER A 164 TYR A 172 1 9 HELIX 3 AA3 TYR A 234 ASN A 245 1 12 SHEET 1 AA1 7 TYR A 20 THR A 21 0 SHEET 2 AA1 7 LYS A 156 PRO A 161 -1 O CYS A 157 N TYR A 20 SHEET 3 AA1 7 GLN A 135 GLY A 140 -1 N ILE A 138 O LEU A 158 SHEET 4 AA1 7 PRO A 198 CYS A 201 -1 O VAL A 200 N LEU A 137 SHEET 5 AA1 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 AA1 7 GLY A 226 LYS A 230 -1 O VAL A 227 N TRP A 215 SHEET 7 AA1 7 MET A 180 ALA A 183 -1 N PHE A 181 O TYR A 228 SHEET 1 AA2 7 GLN A 30 ASN A 34 0 SHEET 2 AA2 7 HIS A 40 ASN A 48 -1 O CYS A 42 N LEU A 33 SHEET 3 AA2 7 TRP A 51 SER A 54 -1 O VAL A 53 N SER A 45 SHEET 4 AA2 7 MET A 104 LEU A 108 -1 O ILE A 106 N VAL A 52 SHEET 5 AA2 7 GLN A 81 VAL A 90 -1 N SER A 86 O LYS A 107 SHEET 6 AA2 7 GLN A 64 LEU A 67 -1 N LEU A 67 O GLN A 81 SHEET 7 AA2 7 GLN A 30 ASN A 34 -1 N SER A 32 O ARG A 66 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.03 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.02 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.03 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.02 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.04 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.04 LINK OE1 GLU A 70 CA CA A 304 1555 1555 2.19 LINK O ASN A 72 CA CA A 304 1555 1555 2.34 LINK O VAL A 75 CA CA A 304 1555 1555 2.25 LINK OE2 GLU A 80 CA CA A 304 1555 1555 2.34 LINK CA CA A 304 O HOH A 473 1555 1555 2.36 LINK CA CA A 304 O HOH A 422 1555 1555 2.34 SITE *** AC1 5 ASN A 95 SER A 96 ASN A 97 HOH A 414 SITE *** AC1 5 HOH A 441 SITE *** AC2 9 ARG A 66 ILE A 73 ASN A 74 VAL A 76 SITE *** AC2 9 PHE A 82 VAL A 90 HIS A 91 TYR A 94 SITE *** AC2 9 HOH A 473 SITE *** AC3 6 PRO A 173 GLY A 174 HOH A 418 HOH A 446 SITE *** AC3 6 HOH A 525 HOH A 595 SITE *** AC4 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE *** AC4 6 HOH A 422 HOH A 473 SITE *** AC5 25 TYR A 39 PHE A 41 HIS A 57 LEU A 99 SITE *** AC5 25 ASP A 189 SER A 190 CYS A 191 GLN A 192 SITE *** AC5 25 GLY A 193 SER A 195 VAL A 213 SER A 214 SITE *** AC5 25 TRP A 215 GLY A 216 GLY A 219 CYS A 220 SITE *** AC5 25 GLY A 226 SER A 244 ASN A 245 HOH A 408 SITE *** AC5 25 HOH A 471 HOH A 508 HOH A 523 HOH A 571 SITE *** AC5 25 HOH A 581 CRYST1 54.585 58.235 66.666 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018320 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017172 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015000 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 190 SER OG : rot -108:sc= -0.677 USER MOD Set 1.2: A 228 TYR OH : rot -151:sc= 2.03 USER MOD Set 2.1: A 164 SER OG : rot 172:sc= 0.579 USER MOD Set 2.2: A 166 SER OG A: rot 4:sc= 0.437 USER MOD Set 2.3: A 167 SER OG A: rot -28:sc= 0.664 USER MOD Set 2.4: A 167 SER OG B: rot 85:sc= 1.56 USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0.834 USER MOD Set 3.2: A 156 LYS NZ :NH3+ 176:sc= 0.951 (180deg=0) USER MOD Set 4.1: A 101 ASN :FLIP amide:sc= 1.82 F(o=-0.054,f=1.6) USER MOD Set 4.2: A 234 TYR OH : rot 7:sc= -0.24 USER MOD Set 5.1: A 100 ASN : amide:sc= 1.78 K(o=7.9,f=0.97!) USER MOD Set 5.2: A 177 THR OG1 : rot 172:sc= 1 USER MOD Set 5.3: A 179 ASN : amide:sc= 2.26 K(o=7.9,f=3.9) USER MOD Set 5.4: A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.5: A 233 ASN : amide:sc= 2.84 K(o=7.9,f=4.7) USER MOD Set 6.1: A 96 SER OG : rot -159:sc= 2.25 USER MOD Set 6.2: A 301 DMS C1 :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 87 LYS NZ :NH3+ -116:sc= 0.936 (180deg=0) USER MOD Set 7.2: A 245 ASN : amide:sc= 1.42 K(o=2.4,f=-7.2!) USER MOD Set 8.1: A 37 SER OG : rot -83:sc= 0.897 USER MOD Set 8.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 8.3: A 60 LYS NZ :NH3+ -162:sc= 1.49 (180deg=0.878) USER MOD Set 9.1: A 57 HIS : no HE2:sc= 0.607 K(o=3,f=-11!) USER MOD Set 9.2: A 195 SER OG : rot 121:sc= 2.34 USER MOD Set10.1: A 32 SER OG : rot 74:sc= 2.44 USER MOD Set10.2: A 40 HIS : no HD1:sc= 1.36 K(o=3.8,f=-5.6!) USER MOD Set11.1: A 30 GLN : amide:sc= 1.11 K(o=3,f=-1.3) USER MOD Set11.2: A 139 SER OG : rot 85:sc= 1.89 USER MOD Single : A 20 TYR OH : rot 147:sc= 1.67 USER MOD Single : A 25 ASN : amide:sc= 3.19 X(o=3.2,f=2.8) USER MOD Single : A 26 THR OG1 : rot -80:sc= 0.771 USER MOD Single : A 29 TYR OH : rot -13:sc= 2.21 USER MOD Single : A 34 ASN : amide:sc= 2.15 K(o=2.2,f=-2.4!) USER MOD Single : A 45 SER OG : rot 84:sc= 0.484 USER MOD Single : A 48 ASN : amide:sc= -0.157 K(o=-0.16,f=-7.8!) USER MOD Single : A 49 SER OG : rot 175:sc= 2.21 USER MOD Single : A 50 GLN : amide:sc= 1.7 K(o=1.7,f=-0.29) USER MOD Single : A 54 SER OG : rot 97:sc= 0.846 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -81:sc= 0.0142 USER MOD Single : A 64 GLN : amide:sc= 1.53 K(o=1.5,f=-5.6!) USER MOD Single : A 72 ASN : amide:sc= 0.396 K(o=0.4,f=-7.6!) USER MOD Single : A 74 ASN : amide:sc= 1.3 K(o=1.3,f=-1.5!) USER MOD Single : A 79 ASN : amide:sc= 0.431 X(o=0.43,f=0.62) USER MOD Single : A 81 GLN : amide:sc= 2.85 K(o=2.9,f=-3.9!) USER MOD Single : A 84 SER OG : rot 82:sc= 0.742 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG A: rot 134:sc= 1.19 USER MOD Single : A 88 SER OG B: rot 152:sc= 0.364 USER MOD Single : A 91 HIS : no HD1:sc= 1.17 K(o=1.2,f=-7.7!) USER MOD Single : A 93 SER OG : rot 107:sc= 1.03 USER MOD Single : A 94 TYR OH : rot -174:sc= 1.3 USER MOD Single : A 95 ASN : amide:sc= 0.227 K(o=0.23,f=-8!) USER MOD Single : A 97 ASN : amide:sc= 2.82 K(o=2.8,f=-0.021) USER MOD Single : A 98 THR OG1 : rot -159:sc= 1.32 USER MOD Single : A 104 MET CE A:methyl -161:sc= -0.0713 (180deg=-0.456) USER MOD Single : A 104 MET CE B:methyl 136:sc= -0.0804 (180deg=-1.84!) USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 1.37 (180deg=1.31) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 116:sc= 2.34 USER MOD Single : A 113 SER OG A: rot -117:sc= 2.24 USER MOD Single : A 113 SER OG B: rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 1.15 K(o=1.2,f=-5.8!) USER MOD Single : A 116 SER OG : rot -154:sc= 1.83 USER MOD Single : A 120 SER OG A: rot -150:sc= 2.08 USER MOD Single : A 120 SER OG B: rot 138:sc= -0.0158 USER MOD Single : A 122 SER OG : rot 68:sc= 0.212 USER MOD Single : A 125 THR OG1 : rot 21:sc= 0.527 USER MOD Single : A 127 SER OG : rot -30:sc= 0.197 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 88:sc= 2.28 USER MOD Single : A 135 GLN : amide:sc= -0.0275 X(o=-0.028,f=-0.2) USER MOD Single : A 143 ASN : amide:sc= 0.691 K(o=0.69,f=-5.8!) USER MOD Single : A 144 THR OG1 : rot 114:sc= 2.13 USER MOD Single : A 145 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.33) USER MOD Single : A 146 SER OG : rot -86:sc= 0.655 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot -92:sc= 0.309 USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG B: rot 79:sc= 0.00084 USER MOD Single : A 169 LYS NZ :NH3+ 167:sc= 0.467 (180deg=0.396) USER MOD Single : A 170 SER OG A: rot 84:sc= 0.603 USER MOD Single : A 170 SER OG B: rot 180:sc= 0 USER MOD Single : A 172 TYR OH : rot -167:sc= 1.3 USER MOD Single : A 175 GLN : amide:sc= 2.88 X(o=2.9,f=2.5) USER MOD Single : A 178 SER OG : rot 106:sc= 1.03 USER MOD Single : A 184ATYR OH : rot 173:sc= 1.31 USER MOD Single : A 188ALYS NZ A:NH3+ 152:sc= 0.175 (180deg=0.0289) USER MOD Single : A 188ALYS NZ B:NH3+ 144:sc= 0.0967 (180deg=-0.304) USER MOD Single : A 192 GLN : amide:sc= 0.355 X(o=0.35,f=0.018) USER MOD Single : A 202 SER OG : rot -17:sc= 0.376 USER MOD Single : A 204 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.103) USER MOD Single : A 210 GLN : amide:sc= 1.8 K(o=1.8,f=0.6) USER MOD Single : A 214 SER OG : rot 51:sc= 1.96 USER MOD Single : A 217 SER OG : rot -143:sc= 2.86 USER MOD Single : A 221AGLN : amide:sc= 0.534 K(o=0.53,f=-0.04) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.046) USER MOD Single : A 224 LYS NZ :NH3+ 162:sc= 1.58 (180deg=1.3) USER MOD Single : A 229 THR OG1 : rot -170:sc= 0.719 USER MOD Single : A 230 LYS NZ :NH3+ -172:sc= 1.77 (180deg=1.73) USER MOD Single : A 236 SER OG : rot 119:sc= 0.0178 USER MOD Single : A 239 LYS NZ :NH3+ -136:sc= 0.785 (180deg=0.0338) USER MOD Single : A 240 GLN : amide:sc= 2.24 K(o=2.2,f=0.13) USER MOD Single : A 241 THR OG1 : rot 84:sc= 1.56 USER MOD Single : A 244 SER OG : rot 180:sc= 0 USER MOD Single : A 301 DMS C2 :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 302 DMS C1 :methyl -121:sc= 0 (180deg=-0.346) USER MOD Single : A 302 DMS C2 :methyl 177:sc= -0.0161 (180deg=-0.0209) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 35.466 19.642 19.849 1.00 11.56 N ATOM 2 CA ILE A 16 35.459 20.542 18.687 1.00 10.70 C ATOM 3 C ILE A 16 36.746 20.282 17.918 1.00 13.58 C ATOM 4 O ILE A 16 37.842 20.420 18.471 1.00 12.36 O ATOM 5 CB ILE A 16 35.378 22.028 19.141 1.00 12.34 C ATOM 6 CG1 ILE A 16 34.170 22.339 20.061 1.00 13.02 C ATOM 7 CG2 ILE A 16 35.447 23.012 17.950 1.00 13.02 C ATOM 8 CD1 ILE A 16 32.813 22.368 19.353 1.00 13.26 C ATOM 0 HA ILE A 16 34.684 20.375 18.127 1.00 10.70 H new ATOM 0 HB ILE A 16 36.170 22.165 19.684 1.00 12.34 H new ATOM 0 HG12 ILE A 16 34.138 21.674 20.767 1.00 13.02 H new ATOM 0 HG13 ILE A 16 34.317 23.198 20.487 1.00 13.02 H new ATOM 0 HG21 ILE A 16 35.393 23.923 18.279 1.00 13.02 H new ATOM 0 HG22 ILE A 16 36.284 22.889 17.476 1.00 13.02 H new ATOM 0 HG23 ILE A 16 34.707 22.842 17.347 1.00 13.02 H new ATOM 0 HD11 ILE A 16 32.116 22.568 19.997 1.00 13.26 H new ATOM 0 HD12 ILE A 16 32.822 23.051 18.664 1.00 13.26 H new ATOM 0 HD13 ILE A 16 32.640 21.503 18.949 1.00 13.26 H new ATOM 9 N VAL A 17 36.596 19.958 16.620 1.00 12.22 N ATOM 10 CA VAL A 17 37.742 19.752 15.723 1.00 12.44 C ATOM 11 C VAL A 17 37.864 21.002 14.857 1.00 12.13 C ATOM 12 O VAL A 17 36.878 21.471 14.286 1.00 11.71 O ATOM 13 CB VAL A 17 37.532 18.492 14.835 1.00 15.42 C ATOM 14 CG1 VAL A 17 38.677 18.330 13.831 1.00 15.70 C ATOM 15 CG2 VAL A 17 37.405 17.228 15.694 1.00 15.87 C ATOM 0 H VAL A 17 35.831 19.853 16.241 1.00 12.22 H new ATOM 0 HA VAL A 17 38.552 19.607 16.236 1.00 12.44 H new ATOM 0 HB VAL A 17 36.705 18.616 14.344 1.00 15.42 H new ATOM 0 HG11 VAL A 17 38.524 17.539 13.290 1.00 15.70 H new ATOM 0 HG12 VAL A 17 38.717 19.111 13.257 1.00 15.70 H new ATOM 0 HG13 VAL A 17 39.516 18.237 14.309 1.00 15.70 H new ATOM 0 HG21 VAL A 17 37.275 16.458 15.119 1.00 15.87 H new ATOM 0 HG22 VAL A 17 38.214 17.109 16.216 1.00 15.87 H new ATOM 0 HG23 VAL A 17 36.646 17.317 16.291 1.00 15.87 H new ATOM 16 N GLY A 18 39.082 21.531 14.749 1.00 11.60 N ATOM 17 CA GLY A 18 39.363 22.682 13.903 1.00 12.24 C ATOM 18 C GLY A 18 38.839 24.012 14.415 1.00 14.69 C ATOM 19 O GLY A 18 38.625 24.938 13.625 1.00 16.37 O ATOM 0 H GLY A 18 39.770 21.229 15.168 1.00 11.60 H new ATOM 0 HA2 GLY A 18 40.324 22.753 13.788 1.00 12.24 H new ATOM 0 HA3 GLY A 18 38.984 22.519 13.025 1.00 12.24 H new ATOM 20 N GLY A 19 38.640 24.085 15.728 1.00 13.59 N ATOM 21 CA GLY A 19 38.147 25.288 16.371 1.00 12.65 C ATOM 22 C GLY A 19 39.270 26.088 16.980 1.00 15.00 C ATOM 23 O GLY A 19 40.442 25.960 16.585 1.00 15.56 O ATOM 0 H GLY A 19 38.789 23.433 16.269 1.00 13.59 H new ATOM 0 HA2 GLY A 19 37.675 25.833 15.722 1.00 12.65 H new ATOM 0 HA3 GLY A 19 37.507 25.049 17.060 1.00 12.65 H new ATOM 24 N TYR A 20 38.921 26.868 17.973 1.00 10.73 N ATOM 25 CA TYR A 20 39.890 27.740 18.631 1.00 10.39 C ATOM 26 C TYR A 20 39.578 27.771 20.133 1.00 11.23 C ATOM 27 O TYR A 20 38.464 27.447 20.561 1.00 11.76 O ATOM 28 CB TYR A 20 39.862 29.151 18.005 1.00 11.35 C ATOM 29 CG TYR A 20 38.532 29.856 18.143 1.00 11.18 C ATOM 30 CD1 TYR A 20 37.498 29.612 17.251 1.00 11.65 C ATOM 31 CD2 TYR A 20 38.307 30.775 19.169 1.00 11.49 C ATOM 32 CE1 TYR A 20 36.273 30.255 17.375 1.00 12.01 C ATOM 33 CE2 TYR A 20 37.088 31.434 19.292 1.00 12.32 C ATOM 34 CZ TYR A 20 36.076 31.169 18.384 1.00 11.68 C ATOM 35 OH TYR A 20 34.859 31.793 18.424 1.00 15.10 O ATOM 0 H TYR A 20 38.124 26.915 18.292 1.00 10.73 H new ATOM 0 HA TYR A 20 40.789 27.398 18.506 1.00 10.39 H new ATOM 0 HB2 TYR A 20 40.550 29.693 18.421 1.00 11.35 H new ATOM 0 HB3 TYR A 20 40.085 29.082 17.064 1.00 11.35 H new ATOM 0 HD1 TYR A 20 37.627 29.007 16.557 1.00 11.65 H new ATOM 0 HD2 TYR A 20 38.984 30.950 19.782 1.00 11.49 H new ATOM 0 HE1 TYR A 20 35.586 30.068 16.776 1.00 12.01 H new ATOM 0 HE2 TYR A 20 36.954 32.047 19.978 1.00 12.32 H new ATOM 0 HH TYR A 20 34.649 31.947 19.223 1.00 15.10 H new ATOM 36 N THR A 21 40.549 28.139 20.934 1.00 11.92 N ATOM 37 CA THR A 21 40.336 28.291 22.375 1.00 10.52 C ATOM 38 C THR A 21 39.428 29.502 22.582 1.00 13.03 C ATOM 39 O THR A 21 39.789 30.599 22.183 1.00 13.59 O ATOM 40 CB THR A 21 41.686 28.469 23.033 1.00 14.01 C ATOM 41 OG1 THR A 21 42.395 27.259 22.824 1.00 16.59 O ATOM 42 CG2 THR A 21 41.569 28.714 24.523 1.00 13.58 C ATOM 0 H THR A 21 41.350 28.310 20.672 1.00 11.92 H new ATOM 0 HA THR A 21 39.909 27.516 22.772 1.00 10.52 H new ATOM 0 HB THR A 21 42.134 29.240 22.651 1.00 14.01 H new ATOM 0 HG1 THR A 21 43.156 27.316 23.175 1.00 16.59 H new ATOM 0 HG21 THR A 21 42.455 28.822 24.904 1.00 13.58 H new ATOM 0 HG22 THR A 21 41.050 29.518 24.679 1.00 13.58 H new ATOM 0 HG23 THR A 21 41.128 27.959 24.942 1.00 13.58 H new ATOM 43 N CYS A 22 38.257 29.329 23.200 1.00 11.03 N ATOM 44 CA CYS A 22 37.252 30.400 23.370 1.00 11.47 C ATOM 45 C CYS A 22 37.831 31.569 24.143 1.00 15.63 C ATOM 46 O CYS A 22 37.608 32.719 23.774 1.00 16.34 O ATOM 47 CB CYS A 22 36.019 29.861 24.114 1.00 11.16 C ATOM 48 SG CYS A 22 35.188 28.475 23.333 1.00 14.18 S ATOM 0 H CYS A 22 38.015 28.577 23.539 1.00 11.03 H new ATOM 0 HA CYS A 22 36.991 30.705 22.487 1.00 11.47 H new ATOM 0 HB2 CYS A 22 36.290 29.594 25.006 1.00 11.16 H new ATOM 0 HB3 CYS A 22 35.381 30.584 24.216 1.00 11.16 H new ATOM 49 N GLY A 23 38.472 31.232 25.257 1.00 11.88 N ATOM 50 CA GLY A 23 38.927 32.183 26.259 1.00 11.92 C ATOM 51 C GLY A 23 38.049 31.988 27.492 1.00 14.31 C ATOM 52 O GLY A 23 36.826 31.768 27.381 1.00 12.71 O ATOM 0 H GLY A 23 38.659 30.416 25.455 1.00 11.88 H new ATOM 0 HA2 GLY A 23 39.861 32.033 26.475 1.00 11.92 H new ATOM 0 HA3 GLY A 23 38.855 33.092 25.927 1.00 11.92 H new ATOM 53 N ALA A 24 38.662 32.032 28.677 1.00 13.41 N ATOM 54 CA ALA A 24 37.944 31.731 29.905 1.00 12.60 C ATOM 55 C ALA A 24 36.695 32.556 30.102 1.00 14.66 C ATOM 56 O ALA A 24 36.746 33.787 30.070 1.00 14.04 O ATOM 57 CB ALA A 24 38.848 31.896 31.117 1.00 12.94 C ATOM 0 H ALA A 24 39.491 32.234 28.786 1.00 13.41 H new ATOM 0 HA ALA A 24 37.664 30.806 29.816 1.00 12.60 H new ATOM 0 HB1 ALA A 24 38.349 31.691 31.923 1.00 12.94 H new ATOM 0 HB2 ALA A 24 39.604 31.292 31.042 1.00 12.94 H new ATOM 0 HB3 ALA A 24 39.168 32.811 31.160 1.00 12.94 H new ATOM 58 N ASN A 25 35.552 31.868 30.299 1.00 12.34 N ATOM 59 CA ASN A 25 34.264 32.482 30.601 1.00 12.33 C ATOM 60 C ASN A 25 33.702 33.385 29.548 1.00 14.04 C ATOM 61 O ASN A 25 32.780 34.159 29.839 1.00 14.85 O ATOM 62 CB ASN A 25 34.268 33.124 31.968 1.00 13.82 C ATOM 63 CG ASN A 25 34.853 32.236 33.012 1.00 16.13 C ATOM 64 OD1 ASN A 25 35.911 32.533 33.561 1.00 17.26 O ATOM 65 ND2 ASN A 25 34.199 31.116 33.270 1.00 14.33 N ATOM 0 H ASN A 25 35.515 31.010 30.257 1.00 12.34 H new ATOM 0 HA ASN A 25 33.640 31.739 30.608 1.00 12.33 H new ATOM 0 HB2 ASN A 25 34.772 33.952 31.932 1.00 13.82 H new ATOM 0 HB3 ASN A 25 33.359 33.356 32.216 1.00 13.82 H new ATOM 0 HD21 ASN A 25 34.512 30.558 33.845 1.00 14.33 H new ATOM 0 HD22 ASN A 25 33.461 30.946 32.863 1.00 14.33 H new ATOM 66 N THR A 26 34.153 33.218 28.310 1.00 10.87 N ATOM 67 CA THR A 26 33.614 34.027 27.213 1.00 9.51 C ATOM 68 C THR A 26 32.329 33.423 26.660 1.00 11.39 C ATOM 69 O THR A 26 31.686 34.051 25.806 1.00 12.44 O ATOM 70 CB THR A 26 34.638 34.174 26.082 1.00 12.21 C ATOM 71 OG1 THR A 26 34.965 32.866 25.573 1.00 13.27 O ATOM 72 CG2 THR A 26 35.905 34.891 26.527 1.00 11.76 C ATOM 0 H THR A 26 34.760 32.653 28.082 1.00 10.87 H new ATOM 0 HA THR A 26 33.416 34.905 27.576 1.00 9.51 H new ATOM 0 HB THR A 26 34.237 34.720 25.388 1.00 12.21 H new ATOM 0 HG1 THR A 26 35.522 32.498 26.083 1.00 13.27 H new ATOM 0 HG21 THR A 26 36.519 34.959 25.779 1.00 11.76 H new ATOM 0 HG22 THR A 26 35.680 35.781 26.842 1.00 11.76 H new ATOM 0 HG23 THR A 26 36.325 34.391 27.245 1.00 11.76 H new ATOM 73 N VAL A 27 31.932 32.205 27.108 1.00 9.74 N ATOM 74 CA VAL A 27 30.709 31.532 26.662 1.00 9.83 C ATOM 75 C VAL A 27 29.989 31.242 27.986 1.00 10.97 C ATOM 76 O VAL A 27 30.005 30.130 28.517 1.00 11.02 O ATOM 77 CB VAL A 27 31.038 30.267 25.863 1.00 11.40 C ATOM 78 CG1 VAL A 27 29.740 29.675 25.328 1.00 10.76 C ATOM 79 CG2 VAL A 27 32.014 30.548 24.705 1.00 12.65 C ATOM 0 H VAL A 27 32.380 31.752 27.686 1.00 9.74 H new ATOM 0 HA VAL A 27 30.163 32.055 26.054 1.00 9.83 H new ATOM 0 HB VAL A 27 31.478 29.637 26.454 1.00 11.40 H new ATOM 0 HG11 VAL A 27 29.936 28.872 24.820 1.00 10.76 H new ATOM 0 HG12 VAL A 27 29.155 29.453 26.070 1.00 10.76 H new ATOM 0 HG13 VAL A 27 29.301 30.322 24.754 1.00 10.76 H new ATOM 0 HG21 VAL A 27 32.195 29.724 24.227 1.00 12.65 H new ATOM 0 HG22 VAL A 27 31.619 31.193 24.098 1.00 12.65 H new ATOM 0 HG23 VAL A 27 32.843 30.904 25.060 1.00 12.65 H new ATOM 80 N PRO A 28 29.362 32.267 28.572 1.00 9.27 N ATOM 81 CA PRO A 28 28.939 32.162 29.965 1.00 9.33 C ATOM 82 C PRO A 28 27.754 31.270 30.249 1.00 9.61 C ATOM 83 O PRO A 28 27.463 30.978 31.404 1.00 9.98 O ATOM 84 CB PRO A 28 28.686 33.618 30.369 1.00 11.34 C ATOM 85 CG PRO A 28 28.328 34.316 29.092 1.00 13.38 C ATOM 86 CD PRO A 28 29.187 33.647 28.053 1.00 10.49 C ATOM 0 HA PRO A 28 29.624 31.714 30.486 1.00 9.33 H new ATOM 0 HB2 PRO A 28 27.968 33.683 31.018 1.00 11.34 H new ATOM 0 HB3 PRO A 28 29.473 34.012 30.776 1.00 11.34 H new ATOM 0 HG2 PRO A 28 27.385 34.220 28.888 1.00 13.38 H new ATOM 0 HG3 PRO A 28 28.511 35.267 29.144 1.00 13.38 H new ATOM 0 HD2 PRO A 28 28.759 33.648 27.183 1.00 10.49 H new ATOM 0 HD3 PRO A 28 30.039 34.099 27.951 1.00 10.49 H new ATOM 87 N TYR A 29 27.057 30.879 29.191 1.00 8.29 N ATOM 88 CA TYR A 29 25.915 29.987 29.273 1.00 7.95 C ATOM 89 C TYR A 29 26.334 28.525 29.114 1.00 9.12 C ATOM 90 O TYR A 29 25.482 27.655 29.246 1.00 8.78 O ATOM 91 CB TYR A 29 24.869 30.390 28.206 1.00 8.62 C ATOM 92 CG TYR A 29 25.470 30.533 26.824 1.00 8.92 C ATOM 93 CD1 TYR A 29 25.690 29.417 26.021 1.00 9.45 C ATOM 94 CD2 TYR A 29 25.922 31.767 26.359 1.00 10.04 C ATOM 95 CE1 TYR A 29 26.290 29.528 24.769 1.00 9.19 C ATOM 96 CE2 TYR A 29 26.522 31.890 25.108 1.00 10.50 C ATOM 97 CZ TYR A 29 26.725 30.765 24.327 1.00 11.02 C ATOM 98 OH TYR A 29 27.332 30.868 23.105 1.00 11.24 O ATOM 0 H TYR A 29 27.240 31.131 28.389 1.00 8.29 H new ATOM 0 HA TYR A 29 25.516 30.071 30.153 1.00 7.95 H new ATOM 0 HB2 TYR A 29 24.165 29.724 28.181 1.00 8.62 H new ATOM 0 HB3 TYR A 29 24.456 31.229 28.464 1.00 8.62 H new ATOM 0 HD1 TYR A 29 25.430 28.578 26.328 1.00 9.45 H new ATOM 0 HD2 TYR A 29 25.821 32.521 26.893 1.00 10.04 H new ATOM 0 HE1 TYR A 29 26.398 28.775 24.233 1.00 9.19 H new ATOM 0 HE2 TYR A 29 26.786 32.726 24.798 1.00 10.50 H new ATOM 0 HH TYR A 29 27.532 30.101 22.826 1.00 11.24 H new ATOM 99 N GLN A 30 27.605 28.249 28.749 1.00 8.48 N ATOM 100 CA GLN A 30 28.053 26.873 28.542 1.00 7.82 C ATOM 101 C GLN A 30 28.214 26.181 29.861 1.00 9.57 C ATOM 102 O GLN A 30 28.879 26.702 30.781 1.00 9.86 O ATOM 103 CB GLN A 30 29.426 26.883 27.842 1.00 9.07 C ATOM 104 CG GLN A 30 30.097 25.516 27.741 1.00 9.79 C ATOM 105 CD GLN A 30 29.588 24.682 26.597 1.00 10.39 C ATOM 106 OE1 GLN A 30 29.584 25.107 25.445 1.00 12.07 O ATOM 107 NE2 GLN A 30 29.158 23.441 26.858 1.00 10.51 N ATOM 0 H GLN A 30 28.211 28.846 28.620 1.00 8.48 H new ATOM 0 HA GLN A 30 27.394 26.410 28.001 1.00 7.82 H new ATOM 0 HB2 GLN A 30 29.318 27.244 26.948 1.00 9.07 H new ATOM 0 HB3 GLN A 30 30.016 27.485 28.322 1.00 9.07 H new ATOM 0 HG2 GLN A 30 31.054 25.640 27.641 1.00 9.79 H new ATOM 0 HG3 GLN A 30 29.958 25.033 28.571 1.00 9.79 H new ATOM 0 HE21 GLN A 30 29.162 23.146 27.666 1.00 10.51 H new ATOM 0 HE22 GLN A 30 28.878 22.939 26.218 1.00 10.51 H new ATOM 108 N AVAL A 31 27.612 25.020 29.999 0.50 6.32 N ATOM 109 N BVAL A 31 27.633 24.986 29.925 0.50 8.45 N ATOM 110 CA AVAL A 31 27.829 24.246 31.231 0.50 5.04 C ATOM 111 CA BVAL A 31 27.602 24.079 31.078 0.50 8.70 C ATOM 112 C AVAL A 31 28.439 22.895 30.849 0.50 7.58 C ATOM 113 C BVAL A 31 28.417 22.822 30.790 0.50 9.01 C ATOM 114 O AVAL A 31 28.363 22.457 29.693 0.50 7.94 O ATOM 115 O BVAL A 31 28.447 22.351 29.647 0.50 7.95 O ATOM 116 CB AVAL A 31 26.548 24.058 32.092 0.50 7.17 C ATOM 117 CB BVAL A 31 26.107 23.682 31.264 0.50 12.27 C ATOM 118 CG1AVAL A 31 25.867 25.387 32.417 0.50 7.12 C ATOM 119 CG1BVAL A 31 25.889 22.595 32.308 0.50 13.56 C ATOM 120 CG2AVAL A 31 25.591 23.058 31.461 0.50 7.75 C ATOM 121 CG2BVAL A 31 25.226 24.894 31.531 0.50 11.42 C ATOM 0 H AVAL A 31 27.088 24.660 29.420 0.50 8.45 H new ATOM 0 H BVAL A 31 27.216 24.658 29.249 0.50 8.45 H new ATOM 0 HA AVAL A 31 28.435 24.751 31.795 0.50 8.70 H new ATOM 0 HA BVAL A 31 27.975 24.504 31.866 0.50 8.70 H new ATOM 0 HB AVAL A 31 26.830 23.684 32.941 0.50 12.27 H new ATOM 0 HB BVAL A 31 25.835 23.296 30.416 0.50 12.27 H new ATOM 0 HG11AVAL A 31 25.076 25.223 32.953 0.50 13.56 H new ATOM 0 HG11BVAL A 31 24.942 22.395 32.375 0.50 13.56 H new ATOM 0 HG12AVAL A 31 26.480 25.953 32.911 0.50 13.56 H new ATOM 0 HG12BVAL A 31 26.370 21.794 32.047 0.50 13.56 H new ATOM 0 HG13AVAL A 31 25.612 25.830 31.593 0.50 13.56 H new ATOM 0 HG13BVAL A 31 26.216 22.902 33.168 0.50 13.56 H new ATOM 0 HG21AVAL A 31 24.805 22.964 32.021 0.50 11.42 H new ATOM 0 HG21BVAL A 31 24.306 24.608 31.641 0.50 11.42 H new ATOM 0 HG22AVAL A 31 25.326 23.373 30.583 0.50 11.42 H new ATOM 0 HG22BVAL A 31 25.524 25.339 32.339 0.50 11.42 H new ATOM 0 HG23AVAL A 31 26.031 22.198 31.376 0.50 11.42 H new ATOM 0 HG23BVAL A 31 25.286 25.509 30.783 0.50 11.42 H new ATOM 122 N SER A 32 29.023 22.241 31.832 1.00 7.94 N ATOM 123 CA SER A 32 29.589 20.909 31.734 1.00 8.17 C ATOM 124 C SER A 32 28.699 20.039 32.629 1.00 9.60 C ATOM 125 O SER A 32 28.454 20.399 33.790 1.00 9.32 O ATOM 126 CB SER A 32 31.016 20.868 32.267 1.00 9.97 C ATOM 127 OG SER A 32 31.432 19.526 32.453 1.00 10.18 O ATOM 0 H ASER A 32 29.106 22.579 32.619 0.50 7.94 H new ATOM 0 H BSER A 32 29.113 22.610 32.604 0.50 7.94 H new ATOM 0 HA SER A 32 29.621 20.611 30.812 1.00 8.17 H new ATOM 0 HB2 SER A 32 31.613 21.315 31.647 1.00 9.97 H new ATOM 0 HB3 SER A 32 31.068 21.349 33.108 1.00 9.97 H new ATOM 0 HG SER A 32 31.591 19.176 31.706 1.00 10.18 H new ATOM 128 N LEU A 33 28.234 18.894 32.111 1.00 7.73 N ATOM 129 CA LEU A 33 27.513 17.900 32.898 1.00 7.57 C ATOM 130 C LEU A 33 28.532 16.872 33.357 1.00 8.96 C ATOM 131 O LEU A 33 29.294 16.330 32.530 1.00 8.86 O ATOM 132 CB LEU A 33 26.402 17.241 32.097 1.00 7.94 C ATOM 133 CG LEU A 33 25.374 18.190 31.518 1.00 8.83 C ATOM 134 CD1 LEU A 33 24.232 17.383 30.891 1.00 11.79 C ATOM 135 CD2 LEU A 33 24.798 19.138 32.594 1.00 10.92 C ATOM 0 H LEU A 33 28.332 18.676 31.285 1.00 7.73 H new ATOM 0 HA LEU A 33 27.082 18.325 33.656 1.00 7.57 H new ATOM 0 HB2 LEU A 33 26.802 16.738 31.371 1.00 7.94 H new ATOM 0 HB3 LEU A 33 25.946 16.603 32.668 1.00 7.94 H new ATOM 0 HG LEU A 33 25.815 18.732 30.845 1.00 8.83 H new ATOM 0 HD11 LEU A 33 23.573 17.990 30.520 1.00 11.79 H new ATOM 0 HD12 LEU A 33 24.584 16.818 30.186 1.00 11.79 H new ATOM 0 HD13 LEU A 33 23.815 16.830 31.570 1.00 11.79 H new ATOM 0 HD21 LEU A 33 24.145 19.730 32.188 1.00 10.92 H new ATOM 0 HD22 LEU A 33 24.371 18.615 33.291 1.00 10.92 H new ATOM 0 HD23 LEU A 33 25.516 19.665 32.979 1.00 10.92 H new ATOM 136 N ASN A 34 28.586 16.659 34.676 1.00 8.81 N ATOM 137 CA ASN A 34 29.613 15.835 35.295 1.00 7.96 C ATOM 138 C ASN A 34 28.979 14.743 36.123 1.00 10.73 C ATOM 139 O ASN A 34 28.132 15.046 36.985 1.00 11.33 O ATOM 140 CB ASN A 34 30.532 16.751 36.149 1.00 8.81 C ATOM 141 CG ASN A 34 31.702 16.049 36.791 1.00 9.46 C ATOM 142 OD1 ASN A 34 31.541 15.231 37.709 1.00 10.86 O ATOM 143 ND2 ASN A 34 32.904 16.384 36.341 1.00 11.23 N ATOM 0 H ASN A 34 28.023 16.993 35.234 1.00 8.81 H new ATOM 0 HA ASN A 34 30.152 15.398 34.617 1.00 7.96 H new ATOM 0 HB2 ASN A 34 30.869 17.466 35.586 1.00 8.81 H new ATOM 0 HB3 ASN A 34 29.998 17.166 36.845 1.00 8.81 H new ATOM 0 HD21 ASN A 34 33.607 16.030 36.688 1.00 11.23 H new ATOM 0 HD22 ASN A 34 32.980 16.955 35.702 1.00 11.23 H new ATOM 144 N SER A 37 29.415 13.498 35.896 1.00 10.01 N ATOM 145 CA SER A 37 28.962 12.341 36.676 1.00 10.41 C ATOM 146 C SER A 37 30.235 11.644 37.221 1.00 14.48 C ATOM 147 O SER A 37 30.415 10.433 37.061 1.00 16.71 O ATOM 148 CB SER A 37 28.167 11.383 35.784 1.00 14.31 C ATOM 149 OG SER A 37 28.909 10.939 34.659 1.00 19.04 O ATOM 0 H SER A 37 29.984 13.302 35.282 1.00 10.01 H new ATOM 0 HA SER A 37 28.380 12.614 37.402 1.00 10.41 H new ATOM 0 HB2 SER A 37 27.890 10.615 36.307 1.00 14.31 H new ATOM 0 HB3 SER A 37 27.359 11.826 35.480 1.00 14.31 H new ATOM 0 HG SER A 37 28.862 11.513 34.048 1.00 19.04 H new ATOM 150 N GLY A 38 31.148 12.437 37.747 1.00 10.72 N ATOM 151 CA GLY A 38 32.468 11.957 38.140 1.00 10.81 C ATOM 152 C GLY A 38 33.523 12.363 37.134 1.00 11.85 C ATOM 153 O GLY A 38 34.722 12.220 37.361 1.00 12.39 O ATOM 0 H GLY A 38 31.024 13.276 37.889 1.00 10.72 H new ATOM 0 HA2 GLY A 38 32.697 12.312 39.013 1.00 10.81 H new ATOM 0 HA3 GLY A 38 32.452 10.991 38.222 1.00 10.81 H new ATOM 154 N TYR A 39 33.059 12.773 35.950 1.00 9.88 N ATOM 155 CA TYR A 39 33.848 13.182 34.811 1.00 8.88 C ATOM 156 C TYR A 39 32.901 13.951 33.884 1.00 9.08 C ATOM 157 O TYR A 39 31.667 13.757 33.921 1.00 9.57 O ATOM 158 CB TYR A 39 34.409 11.946 34.057 1.00 10.34 C ATOM 159 CG TYR A 39 33.364 10.889 33.770 1.00 11.06 C ATOM 160 CD1 TYR A 39 32.614 10.919 32.595 1.00 12.19 C ATOM 161 CD2 TYR A 39 33.120 9.854 34.674 1.00 13.99 C ATOM 162 CE1 TYR A 39 31.628 9.962 32.343 1.00 12.47 C ATOM 163 CE2 TYR A 39 32.118 8.915 34.443 1.00 14.93 C ATOM 164 CZ TYR A 39 31.371 8.981 33.279 1.00 19.03 C ATOM 165 OH TYR A 39 30.364 8.062 33.031 1.00 22.43 O ATOM 0 H TYR A 39 32.215 12.819 35.791 1.00 9.88 H new ATOM 0 HA TYR A 39 34.601 13.723 35.095 1.00 8.88 H new ATOM 0 HB2 TYR A 39 34.802 12.238 33.220 1.00 10.34 H new ATOM 0 HB3 TYR A 39 35.122 11.551 34.583 1.00 10.34 H new ATOM 0 HD1 TYR A 39 32.773 11.588 31.968 1.00 12.19 H new ATOM 0 HD2 TYR A 39 33.636 9.790 35.445 1.00 13.99 H new ATOM 0 HE1 TYR A 39 31.147 9.986 31.548 1.00 12.47 H new ATOM 0 HE2 TYR A 39 31.951 8.247 35.068 1.00 14.93 H new ATOM 0 HH TYR A 39 30.312 7.523 33.673 1.00 22.43 H new ATOM 166 N HIS A 40 33.481 14.804 33.032 1.00 8.58 N ATOM 167 CA HIS A 40 32.678 15.520 32.044 1.00 7.64 C ATOM 168 C HIS A 40 32.168 14.526 31.013 1.00 9.47 C ATOM 169 O HIS A 40 32.932 13.732 30.471 1.00 9.87 O ATOM 170 CB HIS A 40 33.570 16.531 31.333 1.00 8.13 C ATOM 171 CG HIS A 40 32.922 17.088 30.090 1.00 8.81 C ATOM 172 ND1 HIS A 40 32.024 18.136 30.150 1.00 9.35 N ATOM 173 CD2 HIS A 40 33.009 16.661 28.808 1.00 10.88 C ATOM 174 CE1 HIS A 40 31.623 18.339 28.896 1.00 9.69 C ATOM 175 NE2 HIS A 40 32.175 17.469 28.058 1.00 10.85 N ATOM 0 H HIS A 40 34.323 14.978 33.012 1.00 8.58 H new ATOM 0 HA HIS A 40 31.935 15.967 32.479 1.00 7.64 H new ATOM 0 HB2 HIS A 40 33.780 17.258 31.940 1.00 8.13 H new ATOM 0 HB3 HIS A 40 34.410 16.108 31.096 1.00 8.13 H new ATOM 0 HD2 HIS A 40 33.530 15.958 28.492 1.00 10.88 H new ATOM 0 HE1 HIS A 40 31.030 19.007 28.639 1.00 9.69 H new ATOM 0 HE2 HIS A 40 32.039 17.418 27.210 1.00 10.85 H new ATOM 176 N PHE A 41 30.867 14.621 30.678 1.00 7.78 N ATOM 177 CA PHE A 41 30.360 13.730 29.641 1.00 7.48 C ATOM 178 C PHE A 41 29.487 14.427 28.597 1.00 9.10 C ATOM 179 O PHE A 41 29.178 13.813 27.563 1.00 10.26 O ATOM 180 CB PHE A 41 29.660 12.485 30.193 1.00 9.08 C ATOM 181 CG PHE A 41 28.362 12.815 30.865 1.00 8.73 C ATOM 182 CD1 PHE A 41 28.330 13.214 32.199 1.00 10.50 C ATOM 183 CD2 PHE A 41 27.156 12.756 30.163 1.00 10.24 C ATOM 184 CE1 PHE A 41 27.130 13.579 32.812 1.00 11.23 C ATOM 185 CE2 PHE A 41 25.969 13.175 30.764 1.00 11.11 C ATOM 186 CZ PHE A 41 25.946 13.532 32.091 1.00 10.15 C ATOM 0 H PHE A 41 30.297 15.165 31.022 1.00 7.78 H new ATOM 0 HA PHE A 41 31.161 13.431 29.183 1.00 7.48 H new ATOM 0 HB2 PHE A 41 29.498 11.860 29.469 1.00 9.08 H new ATOM 0 HB3 PHE A 41 30.246 12.041 30.826 1.00 9.08 H new ATOM 0 HD1 PHE A 41 29.120 13.238 32.689 1.00 10.50 H new ATOM 0 HD2 PHE A 41 27.144 12.436 29.290 1.00 10.24 H new ATOM 0 HE1 PHE A 41 27.124 13.853 33.701 1.00 11.23 H new ATOM 0 HE2 PHE A 41 25.187 13.213 30.263 1.00 11.11 H new ATOM 0 HZ PHE A 41 25.139 13.741 32.504 1.00 10.15 H new ATOM 187 N CYS A 42 29.017 15.662 28.889 1.00 7.44 N ATOM 188 CA CYS A 42 28.120 16.356 27.956 1.00 7.25 C ATOM 189 C CYS A 42 28.158 17.812 28.253 1.00 8.10 C ATOM 190 O CYS A 42 28.466 18.221 29.377 1.00 7.88 O ATOM 191 CB CYS A 42 26.681 15.831 28.130 1.00 8.20 C ATOM 192 SG CYS A 42 26.199 14.447 27.048 1.00 10.11 S ATOM 0 H CYS A 42 29.205 16.099 29.606 1.00 7.44 H new ATOM 0 HA CYS A 42 28.406 16.196 27.043 1.00 7.25 H new ATOM 0 HB2 CYS A 42 26.567 15.552 29.052 1.00 8.20 H new ATOM 0 HB3 CYS A 42 26.067 16.566 27.978 1.00 8.20 H new ATOM 193 N GLY A 43 27.793 18.588 27.243 1.00 7.04 N ATOM 194 CA GLY A 43 27.586 20.003 27.433 1.00 8.18 C ATOM 195 C GLY A 43 26.123 20.289 27.743 1.00 8.01 C ATOM 196 O GLY A 43 25.259 19.397 27.726 1.00 7.75 O ATOM 0 H GLY A 43 27.661 18.309 26.440 1.00 7.04 H new ATOM 0 HA2 GLY A 43 28.145 20.323 28.158 1.00 8.18 H new ATOM 0 HA3 GLY A 43 27.854 20.485 26.635 1.00 8.18 H new ATOM 197 N GLY A 44 25.833 21.554 27.955 1.00 7.73 N ATOM 198 CA GLY A 44 24.487 22.035 28.174 1.00 7.39 C ATOM 199 C GLY A 44 24.533 23.526 28.082 1.00 7.46 C ATOM 200 O GLY A 44 25.612 24.141 28.016 1.00 7.58 O ATOM 0 H GLY A 44 26.428 22.175 27.976 1.00 7.73 H new ATOM 0 HA2 GLY A 44 23.880 21.669 27.511 1.00 7.39 H new ATOM 0 HA3 GLY A 44 24.160 21.755 29.043 1.00 7.39 H new ATOM 201 N SER A 45 23.338 24.129 28.151 1.00 7.42 N ATOM 202 CA SER A 45 23.149 25.583 28.052 1.00 8.11 C ATOM 203 C SER A 45 22.279 26.085 29.170 1.00 9.11 C ATOM 204 O SER A 45 21.193 25.535 29.372 1.00 8.95 O ATOM 205 CB SER A 45 22.517 25.991 26.719 1.00 9.53 C ATOM 206 OG SER A 45 23.307 25.518 25.644 1.00 10.61 O ATOM 0 H SER A 45 22.603 23.696 28.258 1.00 7.42 H new ATOM 0 HA SER A 45 24.032 25.981 28.113 1.00 8.11 H new ATOM 0 HB2 SER A 45 21.619 25.630 26.654 1.00 9.53 H new ATOM 0 HB3 SER A 45 22.438 26.957 26.672 1.00 9.53 H new ATOM 0 HG SER A 45 23.099 24.722 25.472 1.00 10.61 H new ATOM 207 N LEU A 46 22.740 27.083 29.911 1.00 8.28 N ATOM 208 CA LEU A 46 21.942 27.676 30.995 1.00 8.08 C ATOM 209 C LEU A 46 20.906 28.616 30.391 1.00 9.81 C ATOM 210 O LEU A 46 21.268 29.538 29.681 1.00 10.35 O ATOM 211 CB LEU A 46 22.887 28.439 31.912 1.00 8.55 C ATOM 212 CG LEU A 46 22.274 28.953 33.200 1.00 11.25 C ATOM 213 CD1 LEU A 46 21.869 27.835 34.134 1.00 11.73 C ATOM 214 CD2 LEU A 46 23.247 29.900 33.886 1.00 15.07 C ATOM 0 H LEU A 46 23.516 27.438 29.807 1.00 8.28 H new ATOM 0 HA LEU A 46 21.479 26.992 31.503 1.00 8.08 H new ATOM 0 HB2 LEU A 46 23.633 27.861 32.136 1.00 8.55 H new ATOM 0 HB3 LEU A 46 23.250 29.193 31.421 1.00 8.55 H new ATOM 0 HG LEU A 46 21.461 29.430 32.971 1.00 11.25 H new ATOM 0 HD11 LEU A 46 21.484 28.211 34.941 1.00 11.73 H new ATOM 0 HD12 LEU A 46 21.214 27.269 33.697 1.00 11.73 H new ATOM 0 HD13 LEU A 46 22.649 27.307 34.365 1.00 11.73 H new ATOM 0 HD21 LEU A 46 22.853 30.228 34.710 1.00 15.07 H new ATOM 0 HD22 LEU A 46 24.070 29.428 34.087 1.00 15.07 H new ATOM 0 HD23 LEU A 46 23.438 30.648 33.299 1.00 15.07 H new ATOM 215 N ILE A 47 19.626 28.340 30.617 1.00 10.38 N ATOM 216 CA ILE A 47 18.579 29.187 30.018 1.00 10.70 C ATOM 217 C ILE A 47 17.894 30.089 31.011 1.00 13.81 C ATOM 218 O ILE A 47 17.194 31.026 30.619 1.00 14.32 O ATOM 219 CB ILE A 47 17.602 28.382 29.169 1.00 13.27 C ATOM 220 CG1 ILE A 47 16.904 27.304 30.011 1.00 12.51 C ATOM 221 CG2 ILE A 47 18.319 27.809 27.929 1.00 12.85 C ATOM 222 CD1 ILE A 47 15.668 26.660 29.373 1.00 17.98 C ATOM 0 H ILE A 47 19.340 27.688 31.099 1.00 10.38 H new ATOM 0 HA ILE A 47 19.039 29.788 29.411 1.00 10.70 H new ATOM 0 HB ILE A 47 16.901 28.969 28.844 1.00 13.27 H new ATOM 0 HG12 ILE A 47 17.547 26.605 30.209 1.00 12.51 H new ATOM 0 HG13 ILE A 47 16.643 27.697 30.858 1.00 12.51 H new ATOM 0 HG21 ILE A 47 17.688 27.299 27.397 1.00 12.85 H new ATOM 0 HG22 ILE A 47 18.677 28.537 27.397 1.00 12.85 H new ATOM 0 HG23 ILE A 47 19.044 27.230 28.213 1.00 12.85 H new ATOM 0 HD11 ILE A 47 15.300 25.996 29.977 1.00 17.98 H new ATOM 0 HD12 ILE A 47 15.001 27.342 29.198 1.00 17.98 H new ATOM 0 HD13 ILE A 47 15.919 26.233 28.539 1.00 17.98 H new ATOM 223 N ASN A 48 18.077 29.832 32.283 1.00 11.77 N ATOM 224 CA ASN A 48 17.663 30.744 33.349 1.00 12.68 C ATOM 225 C ASN A 48 18.418 30.330 34.586 1.00 15.41 C ATOM 226 O ASN A 48 19.180 29.357 34.532 1.00 14.34 O ATOM 227 CB ASN A 48 16.154 30.882 33.546 1.00 15.18 C ATOM 228 CG ASN A 48 15.454 29.673 34.055 1.00 17.30 C ATOM 229 OD1 ASN A 48 16.019 28.866 34.781 1.00 14.92 O ATOM 230 ND2 ASN A 48 14.150 29.599 33.792 1.00 23.95 N ATOM 0 H ASN A 48 18.451 29.112 32.569 1.00 11.77 H new ATOM 0 HA ASN A 48 17.892 31.653 33.100 1.00 12.68 H new ATOM 0 HB2 ASN A 48 15.991 31.613 34.163 1.00 15.18 H new ATOM 0 HB3 ASN A 48 15.756 31.132 32.698 1.00 15.18 H new ATOM 0 HD21 ASN A 48 13.677 28.969 34.137 1.00 23.95 H new ATOM 0 HD22 ASN A 48 13.781 30.181 33.278 1.00 23.95 H new ATOM 231 N SER A 49 18.228 31.007 35.711 1.00 13.73 N ATOM 232 CA SER A 49 19.007 30.660 36.888 1.00 14.03 C ATOM 233 C SER A 49 18.842 29.248 37.403 1.00 14.22 C ATOM 234 O SER A 49 19.696 28.771 38.145 1.00 15.78 O ATOM 235 CB SER A 49 18.743 31.661 38.017 1.00 17.00 C ATOM 236 OG SER A 49 17.451 31.466 38.552 1.00 19.66 O ATOM 0 H SER A 49 17.669 31.653 35.813 1.00 13.73 H new ATOM 0 HA SER A 49 19.928 30.707 36.586 1.00 14.03 H new ATOM 0 HB2 SER A 49 19.408 31.554 38.715 1.00 17.00 H new ATOM 0 HB3 SER A 49 18.827 32.567 37.681 1.00 17.00 H new ATOM 0 HG SER A 49 17.345 31.967 39.218 1.00 19.66 H new ATOM 237 N GLN A 50 17.754 28.547 37.030 1.00 12.44 N ATOM 238 CA GLN A 50 17.541 27.220 37.578 1.00 12.81 C ATOM 239 C GLN A 50 17.409 26.081 36.552 1.00 11.26 C ATOM 240 O GLN A 50 17.173 24.943 36.953 1.00 11.45 O ATOM 241 CB GLN A 50 16.324 27.213 38.513 1.00 15.88 C ATOM 242 CG GLN A 50 16.430 26.121 39.582 1.00 28.96 C ATOM 243 CD GLN A 50 15.803 26.475 40.899 1.00 41.29 C ATOM 244 OE1 GLN A 50 15.089 27.477 41.043 1.00 37.57 O ATOM 245 NE2 GLN A 50 16.032 25.621 41.880 1.00 29.08 N ATOM 0 H GLN A 50 17.153 28.821 36.479 1.00 12.44 H new ATOM 0 HA GLN A 50 18.359 27.031 38.064 1.00 12.81 H new ATOM 0 HB2 GLN A 50 16.242 28.079 38.943 1.00 15.88 H new ATOM 0 HB3 GLN A 50 15.517 27.077 37.992 1.00 15.88 H new ATOM 0 HG2 GLN A 50 16.013 25.313 39.245 1.00 28.96 H new ATOM 0 HG3 GLN A 50 17.367 25.917 39.727 1.00 28.96 H new ATOM 0 HE21 GLN A 50 16.533 24.935 41.745 1.00 29.08 H new ATOM 0 HE22 GLN A 50 15.680 25.751 42.654 1.00 29.08 H new ATOM 246 N TRP A 51 17.570 26.403 35.259 1.00 10.43 N ATOM 247 CA TRP A 51 17.334 25.395 34.239 1.00 9.92 C ATOM 248 C TRP A 51 18.408 25.387 33.196 1.00 8.81 C ATOM 249 O TRP A 51 18.866 26.419 32.728 1.00 9.39 O ATOM 250 CB TRP A 51 15.997 25.682 33.538 1.00 9.78 C ATOM 251 CG TRP A 51 14.807 25.367 34.408 1.00 10.39 C ATOM 252 CD1 TRP A 51 14.166 26.228 35.250 1.00 13.19 C ATOM 253 CD2 TRP A 51 14.130 24.115 34.519 1.00 9.64 C ATOM 254 NE1 TRP A 51 13.108 25.588 35.858 1.00 11.88 N ATOM 255 CE2 TRP A 51 13.032 24.302 35.389 1.00 12.02 C ATOM 256 CE3 TRP A 51 14.287 22.865 33.886 1.00 10.14 C ATOM 257 CZ2 TRP A 51 12.140 23.261 35.708 1.00 11.26 C ATOM 258 CZ3 TRP A 51 13.422 21.830 34.208 1.00 11.85 C ATOM 259 CH2 TRP A 51 12.338 22.040 35.089 1.00 12.69 C ATOM 0 H TRP A 51 17.808 27.176 34.967 1.00 10.43 H new ATOM 0 HA TRP A 51 17.324 24.533 34.683 1.00 9.92 H new ATOM 0 HB2 TRP A 51 15.966 26.616 33.279 1.00 9.78 H new ATOM 0 HB3 TRP A 51 15.945 25.159 32.722 1.00 9.78 H new ATOM 0 HD1 TRP A 51 14.407 27.115 35.392 1.00 13.19 H new ATOM 0 HE1 TRP A 51 12.580 25.939 36.439 1.00 11.88 H new ATOM 0 HE3 TRP A 51 14.963 22.736 33.260 1.00 10.14 H new ATOM 0 HZ2 TRP A 51 11.444 23.389 36.312 1.00 11.26 H new ATOM 0 HZ3 TRP A 51 13.557 20.987 33.839 1.00 11.85 H new ATOM 0 HH2 TRP A 51 11.745 21.343 35.256 1.00 12.69 H new ATOM 260 N VAL A 52 18.749 24.156 32.791 1.00 8.97 N ATOM 261 CA VAL A 52 19.701 23.911 31.730 1.00 7.80 C ATOM 262 C VAL A 52 19.029 23.061 30.639 1.00 9.26 C ATOM 263 O VAL A 52 18.224 22.164 30.927 1.00 8.76 O ATOM 264 CB VAL A 52 20.894 23.132 32.346 1.00 9.62 C ATOM 265 CG1 VAL A 52 21.779 22.437 31.284 1.00 10.17 C ATOM 266 CG2 VAL A 52 21.740 24.031 33.229 1.00 10.44 C ATOM 0 H VAL A 52 18.423 23.439 33.137 1.00 8.97 H new ATOM 0 HA VAL A 52 20.008 24.742 31.335 1.00 7.80 H new ATOM 0 HB VAL A 52 20.502 22.431 32.891 1.00 9.62 H new ATOM 0 HG11 VAL A 52 22.505 21.968 31.724 1.00 10.17 H new ATOM 0 HG12 VAL A 52 21.244 21.804 30.781 1.00 10.17 H new ATOM 0 HG13 VAL A 52 22.144 23.103 30.680 1.00 10.17 H new ATOM 0 HG21 VAL A 52 22.476 23.520 33.600 1.00 10.44 H new ATOM 0 HG22 VAL A 52 22.090 24.766 32.702 1.00 10.44 H new ATOM 0 HG23 VAL A 52 21.195 24.382 33.950 1.00 10.44 H new ATOM 267 N AVAL A 53 19.335 23.379 29.362 0.50 7.26 N ATOM 268 N BVAL A 53 19.374 23.315 29.402 0.50 7.71 N ATOM 269 CA AVAL A 53 18.917 22.610 28.180 0.50 6.81 C ATOM 270 CA BVAL A 53 18.874 22.477 28.336 0.50 7.15 C ATOM 271 C AVAL A 53 20.128 21.741 27.782 0.50 7.86 C ATOM 272 C BVAL A 53 20.065 21.753 27.713 0.50 8.82 C ATOM 273 O AVAL A 53 21.271 22.220 27.760 0.50 7.45 O ATOM 274 O BVAL A 53 21.116 22.349 27.438 0.50 8.35 O ATOM 275 CB AVAL A 53 18.449 23.524 26.996 0.50 9.19 C ATOM 276 CB BVAL A 53 18.029 23.274 27.338 0.50 9.36 C ATOM 277 CG1AVAL A 53 18.264 22.735 25.693 0.50 9.00 C ATOM 278 CG1BVAL A 53 18.872 24.284 26.591 0.50 9.25 C ATOM 279 CG2AVAL A 53 17.157 24.247 27.333 0.50 9.51 C ATOM 280 CG2BVAL A 53 17.290 22.345 26.387 0.50 9.47 C ATOM 0 H AVAL A 53 19.806 24.070 29.161 0.50 7.71 H new ATOM 0 H BVAL A 53 19.889 23.958 29.155 0.50 7.71 H new ATOM 0 HA AVAL A 53 18.143 22.065 28.391 0.50 7.15 H new ATOM 0 HA BVAL A 53 18.261 21.809 28.680 0.50 7.15 H new ATOM 0 HB AVAL A 53 19.155 24.176 26.861 0.50 9.36 H new ATOM 0 HB BVAL A 53 17.362 23.770 27.838 0.50 9.36 H new ATOM 0 HG11AVAL A 53 17.975 23.336 24.989 0.50 9.25 H new ATOM 0 HG11BVAL A 53 18.314 24.774 25.967 0.50 9.25 H new ATOM 0 HG12AVAL A 53 19.106 22.324 25.441 0.50 9.25 H new ATOM 0 HG12BVAL A 53 19.271 24.903 27.222 0.50 9.25 H new ATOM 0 HG13AVAL A 53 17.594 22.046 25.824 0.50 9.25 H new ATOM 0 HG13BVAL A 53 19.573 23.824 26.104 0.50 9.25 H new ATOM 0 HG21AVAL A 53 16.893 24.804 26.584 0.50 9.47 H new ATOM 0 HG21BVAL A 53 16.763 22.871 25.765 0.50 9.47 H new ATOM 0 HG22AVAL A 53 16.460 23.597 27.514 0.50 9.47 H new ATOM 0 HG22BVAL A 53 17.931 21.810 25.894 0.50 9.47 H new ATOM 0 HG23AVAL A 53 17.292 24.803 28.116 0.50 9.47 H new ATOM 0 HG23BVAL A 53 16.704 21.761 26.894 0.50 9.47 H new ATOM 281 N SER A 54 19.874 20.479 27.479 1.00 7.20 N ATOM 282 CA SER A 54 20.911 19.619 26.946 1.00 6.29 C ATOM 283 C SER A 54 20.238 18.632 25.992 1.00 7.28 C ATOM 284 O SER A 54 19.085 18.808 25.603 1.00 7.18 O ATOM 285 CB SER A 54 21.654 18.915 28.079 1.00 8.92 C ATOM 286 OG SER A 54 22.771 18.176 27.598 1.00 8.98 O ATOM 0 H ASER A 54 19.107 20.102 27.575 0.50 7.20 H new ATOM 0 H BSER A 54 19.128 20.077 27.626 0.50 7.20 H new ATOM 0 HA SER A 54 21.578 20.130 26.462 1.00 6.29 H new ATOM 0 HB2 SER A 54 21.955 19.572 28.726 1.00 8.92 H new ATOM 0 HB3 SER A 54 21.046 18.318 28.543 1.00 8.92 H new ATOM 0 HG SER A 54 23.469 18.636 27.682 1.00 8.98 H new ATOM 287 N ALA A 55 21.014 17.641 25.517 1.00 6.41 N ATOM 288 CA ALA A 55 20.467 16.613 24.644 1.00 6.78 C ATOM 289 C ALA A 55 19.850 15.505 25.473 1.00 8.75 C ATOM 290 O ALA A 55 20.386 15.166 26.537 1.00 8.37 O ATOM 291 CB ALA A 55 21.571 16.029 23.786 1.00 8.77 C ATOM 0 H ALA A 55 21.852 17.555 25.693 1.00 6.41 H new ATOM 0 HA ALA A 55 19.788 17.013 24.078 1.00 6.78 H new ATOM 0 HB1 ALA A 55 21.202 15.345 23.206 1.00 8.77 H new ATOM 0 HB2 ALA A 55 21.967 16.731 23.246 1.00 8.77 H new ATOM 0 HB3 ALA A 55 22.251 15.637 24.356 1.00 8.77 H new ATOM 292 N ALA A 56 18.748 14.893 24.988 1.00 7.58 N ATOM 293 CA ALA A 56 18.123 13.774 25.692 1.00 7.73 C ATOM 294 C ALA A 56 19.096 12.586 25.802 1.00 8.51 C ATOM 295 O ALA A 56 19.041 11.838 26.795 1.00 8.06 O ATOM 296 CB ALA A 56 16.888 13.308 24.953 1.00 8.22 C ATOM 0 H ALA A 56 18.356 15.117 24.256 1.00 7.58 H new ATOM 0 HA ALA A 56 17.883 14.084 26.579 1.00 7.73 H new ATOM 0 HB1 ALA A 56 16.485 12.567 25.431 1.00 8.22 H new ATOM 0 HB2 ALA A 56 16.252 14.038 24.893 1.00 8.22 H new ATOM 0 HB3 ALA A 56 17.134 13.020 24.060 1.00 8.22 H new ATOM 297 N HIS A 57 20.004 12.408 24.822 1.00 7.96 N ATOM 298 CA HIS A 57 20.952 11.301 24.910 1.00 7.85 C ATOM 299 C HIS A 57 21.957 11.520 26.032 1.00 10.38 C ATOM 300 O HIS A 57 22.710 10.589 26.335 1.00 10.92 O ATOM 301 CB HIS A 57 21.602 11.029 23.555 1.00 8.92 C ATOM 302 CG HIS A 57 22.628 12.030 23.165 1.00 9.37 C ATOM 303 ND1 HIS A 57 22.392 12.951 22.173 1.00 9.54 N ATOM 304 CD2 HIS A 57 23.857 12.249 23.688 1.00 9.97 C ATOM 305 CE1 HIS A 57 23.484 13.691 22.097 1.00 9.04 C ATOM 306 NE2 HIS A 57 24.407 13.284 22.979 1.00 9.82 N ATOM 0 H HIS A 57 20.080 12.904 24.124 1.00 7.96 H new ATOM 0 HA HIS A 57 20.466 10.495 25.144 1.00 7.85 H new ATOM 0 HB2 HIS A 57 22.012 10.150 23.574 1.00 8.92 H new ATOM 0 HB3 HIS A 57 20.911 11.005 22.874 1.00 8.92 H new ATOM 0 HD1 HIS A 57 21.679 13.030 21.698 1.00 9.54 H new ATOM 0 HD2 HIS A 57 24.251 11.787 24.392 1.00 9.97 H new ATOM 0 HE1 HIS A 57 23.597 14.402 21.508 1.00 9.04 H new ATOM 307 N CYS A 58 21.991 12.710 26.648 1.00 9.13 N ATOM 308 CA CYS A 58 22.846 12.991 27.797 1.00 8.89 C ATOM 309 C CYS A 58 22.220 12.600 29.116 1.00 10.83 C ATOM 310 O CYS A 58 22.824 12.841 30.171 1.00 12.20 O ATOM 311 CB CYS A 58 23.240 14.456 27.805 1.00 9.19 C ATOM 312 SG CYS A 58 24.333 14.921 26.436 1.00 10.53 S ATOM 0 H CYS A 58 21.511 13.380 26.403 1.00 9.13 H new ATOM 0 HA CYS A 58 23.639 12.440 27.700 1.00 8.89 H new ATOM 0 HB2 CYS A 58 22.437 14.999 27.767 1.00 9.19 H new ATOM 0 HB3 CYS A 58 23.681 14.660 28.645 1.00 9.19 H new ATOM 313 N TYR A 59 21.000 12.053 29.102 1.00 9.14 N ATOM 314 CA TYR A 59 20.337 11.684 30.327 1.00 8.56 C ATOM 315 C TYR A 59 21.123 10.640 31.083 1.00 9.41 C ATOM 316 O TYR A 59 21.564 9.630 30.531 1.00 11.10 O ATOM 317 CB TYR A 59 18.930 11.116 30.010 1.00 10.70 C ATOM 318 CG TYR A 59 18.346 10.432 31.229 1.00 11.53 C ATOM 319 CD1 TYR A 59 17.876 11.175 32.302 1.00 12.22 C ATOM 320 CD2 TYR A 59 18.380 9.052 31.352 1.00 12.47 C ATOM 321 CE1 TYR A 59 17.457 10.549 33.482 1.00 14.02 C ATOM 322 CE2 TYR A 59 18.001 8.417 32.535 1.00 13.88 C ATOM 323 CZ TYR A 59 17.520 9.171 33.579 1.00 18.71 C ATOM 324 OH TYR A 59 17.140 8.504 34.716 1.00 23.84 O ATOM 0 H TYR A 59 20.550 11.892 28.387 1.00 9.14 H new ATOM 0 HA TYR A 59 20.265 12.480 30.877 1.00 8.56 H new ATOM 0 HB2 TYR A 59 18.343 11.833 29.723 1.00 10.70 H new ATOM 0 HB3 TYR A 59 18.988 10.485 29.275 1.00 10.70 H new ATOM 0 HD1 TYR A 59 17.839 12.102 32.237 1.00 12.22 H new ATOM 0 HD2 TYR A 59 18.662 8.538 30.630 1.00 12.47 H new ATOM 0 HE1 TYR A 59 17.139 11.055 34.194 1.00 14.02 H new ATOM 0 HE2 TYR A 59 18.073 7.493 32.616 1.00 13.88 H new ATOM 0 HH TYR A 59 17.241 7.678 34.603 1.00 23.84 H new ATOM 325 N LYS A 60 21.239 10.870 32.390 1.00 11.78 N ATOM 326 CA LYS A 60 21.752 9.880 33.323 1.00 14.30 C ATOM 327 C LYS A 60 21.465 10.329 34.731 1.00 16.07 C ATOM 328 O LYS A 60 21.116 11.484 34.963 1.00 15.28 O ATOM 329 CB LYS A 60 23.210 9.510 33.087 1.00 19.88 C ATOM 330 CG LYS A 60 24.115 10.662 33.315 1.00 16.89 C ATOM 331 CD LYS A 60 25.550 10.190 33.551 1.00 20.49 C ATOM 332 CE LYS A 60 26.279 9.813 32.285 1.00 23.55 C ATOM 333 NZ LYS A 60 27.709 9.465 32.559 1.00 25.91 N ATOM 0 H LYS A 60 21.019 11.614 32.760 1.00 11.78 H new ATOM 0 HA LYS A 60 21.283 9.046 33.166 1.00 14.30 H new ATOM 0 HB2 LYS A 60 23.458 8.782 33.678 1.00 19.88 H new ATOM 0 HB3 LYS A 60 23.319 9.188 32.178 1.00 19.88 H new ATOM 0 HG2 LYS A 60 24.088 11.256 32.549 1.00 16.89 H new ATOM 0 HG3 LYS A 60 23.808 11.172 34.081 1.00 16.89 H new ATOM 0 HD2 LYS A 60 26.043 10.893 34.002 1.00 20.49 H new ATOM 0 HD3 LYS A 60 25.537 9.425 34.147 1.00 20.49 H new ATOM 0 HE2 LYS A 60 25.835 9.058 31.867 1.00 23.55 H new ATOM 0 HE3 LYS A 60 26.239 10.550 31.655 1.00 23.55 H new ATOM 0 HZ1 LYS A 60 28.174 9.503 31.801 1.00 25.91 H new ATOM 0 HZ2 LYS A 60 28.049 10.043 33.144 1.00 25.91 H new ATOM 0 HZ3 LYS A 60 27.755 8.642 32.895 1.00 25.91 H new ATOM 334 N SER A 61 21.566 9.387 35.682 1.00 17.89 N ATOM 335 CA SER A 61 21.348 9.738 37.085 1.00 19.25 C ATOM 336 C SER A 61 22.649 10.359 37.652 1.00 20.48 C ATOM 337 O SER A 61 23.719 10.209 37.076 1.00 21.50 O ATOM 338 CB SER A 61 20.989 8.480 37.878 1.00 23.96 C ATOM 339 OG SER A 61 22.034 7.530 37.759 1.00 33.38 O ATOM 0 H SER A 61 21.755 8.561 35.536 1.00 17.89 H new ATOM 0 HA SER A 61 20.621 10.376 37.157 1.00 19.25 H new ATOM 0 HB2 SER A 61 20.848 8.704 38.811 1.00 23.96 H new ATOM 0 HB3 SER A 61 20.158 8.104 37.547 1.00 23.96 H new ATOM 0 HG SER A 61 21.958 7.119 37.030 1.00 33.38 H new ATOM 340 N GLY A 62 22.516 11.095 38.732 1.00 20.25 N ATOM 341 CA GLY A 62 23.657 11.676 39.436 1.00 20.52 C ATOM 342 C GLY A 62 24.438 12.720 38.673 1.00 23.36 C ATOM 343 O GLY A 62 25.677 12.729 38.707 1.00 25.19 O ATOM 0 H GLY A 62 21.756 11.279 39.089 1.00 20.25 H new ATOM 0 HA2 GLY A 62 23.338 12.074 40.261 1.00 20.52 H new ATOM 0 HA3 GLY A 62 24.263 10.959 39.682 1.00 20.52 H new ATOM 344 N ILE A 63 23.727 13.617 37.999 1.00 16.18 N ATOM 345 CA ILE A 63 24.394 14.695 37.266 1.00 13.23 C ATOM 346 C ILE A 63 24.656 15.854 38.195 1.00 13.13 C ATOM 347 O ILE A 63 23.763 16.290 38.932 1.00 13.55 O ATOM 348 CB ILE A 63 23.492 15.180 36.085 1.00 14.22 C ATOM 349 CG1 ILE A 63 23.324 14.044 35.039 1.00 15.80 C ATOM 350 CG2 ILE A 63 24.031 16.476 35.410 1.00 14.99 C ATOM 351 CD1 ILE A 63 22.374 14.381 33.875 1.00 17.29 C ATOM 0 H ILE A 63 22.868 13.623 37.951 1.00 16.18 H new ATOM 0 HA ILE A 63 25.233 14.360 36.913 1.00 13.23 H new ATOM 0 HB ILE A 63 22.625 15.403 36.459 1.00 14.22 H new ATOM 0 HG12 ILE A 63 24.196 13.823 34.676 1.00 15.80 H new ATOM 0 HG13 ILE A 63 22.995 13.251 35.490 1.00 15.80 H new ATOM 0 HG21 ILE A 63 23.439 16.735 34.687 1.00 14.99 H new ATOM 0 HG22 ILE A 63 24.071 17.190 36.066 1.00 14.99 H new ATOM 0 HG23 ILE A 63 24.919 16.312 35.057 1.00 14.99 H new ATOM 0 HD11 ILE A 63 22.323 13.625 33.269 1.00 17.29 H new ATOM 0 HD12 ILE A 63 21.490 14.575 34.224 1.00 17.29 H new ATOM 0 HD13 ILE A 63 22.709 15.156 33.397 1.00 17.29 H new ATOM 352 N GLN A 64 25.876 16.393 38.138 1.00 11.12 N ATOM 353 CA GLN A 64 26.230 17.659 38.742 1.00 10.31 C ATOM 354 C GLN A 64 26.442 18.622 37.564 1.00 10.58 C ATOM 355 O GLN A 64 27.202 18.309 36.621 1.00 11.66 O ATOM 356 CB GLN A 64 27.511 17.579 39.576 1.00 12.00 C ATOM 357 CG GLN A 64 27.765 18.883 40.335 1.00 13.27 C ATOM 358 CD GLN A 64 29.059 18.776 41.093 1.00 15.77 C ATOM 359 OE1 GLN A 64 30.114 18.589 40.495 1.00 15.01 O ATOM 360 NE2 GLN A 64 28.989 18.896 42.409 1.00 19.65 N ATOM 0 H GLN A 64 26.533 16.014 37.733 1.00 11.12 H new ATOM 0 HA GLN A 64 25.533 17.946 39.352 1.00 10.31 H new ATOM 0 HB2 GLN A 64 27.444 16.844 40.206 1.00 12.00 H new ATOM 0 HB3 GLN A 64 28.265 17.388 38.996 1.00 12.00 H new ATOM 0 HG2 GLN A 64 27.803 19.628 39.715 1.00 13.27 H new ATOM 0 HG3 GLN A 64 27.034 19.060 40.947 1.00 13.27 H new ATOM 0 HE21 GLN A 64 28.229 19.026 42.789 1.00 19.65 H new ATOM 0 HE22 GLN A 64 29.704 18.844 42.884 1.00 19.65 H new ATOM 361 N VAL A 65 25.784 19.770 37.594 1.00 9.75 N ATOM 362 CA VAL A 65 25.953 20.784 36.566 1.00 8.36 C ATOM 363 C VAL A 65 27.092 21.690 37.024 1.00 10.63 C ATOM 364 O VAL A 65 27.107 22.181 38.161 1.00 10.63 O ATOM 365 CB VAL A 65 24.647 21.570 36.419 1.00 11.26 C ATOM 366 CG1 VAL A 65 24.807 22.733 35.457 1.00 12.89 C ATOM 367 CG2 VAL A 65 23.519 20.645 35.963 1.00 12.36 C ATOM 0 H VAL A 65 25.226 19.984 38.212 1.00 9.75 H new ATOM 0 HA VAL A 65 26.164 20.396 35.702 1.00 8.36 H new ATOM 0 HB VAL A 65 24.418 21.936 37.288 1.00 11.26 H new ATOM 0 HG11 VAL A 65 23.966 23.211 35.384 1.00 12.89 H new ATOM 0 HG12 VAL A 65 25.493 23.334 35.787 1.00 12.89 H new ATOM 0 HG13 VAL A 65 25.065 22.398 34.584 1.00 12.89 H new ATOM 0 HG21 VAL A 65 22.698 21.155 35.874 1.00 12.36 H new ATOM 0 HG22 VAL A 65 23.749 20.251 35.107 1.00 12.36 H new ATOM 0 HG23 VAL A 65 23.392 19.941 36.618 1.00 12.36 H new ATOM 368 N ARG A 66 28.029 21.936 36.124 1.00 8.70 N ATOM 369 CA ARG A 66 29.173 22.781 36.418 1.00 8.06 C ATOM 370 C ARG A 66 29.128 23.995 35.534 1.00 9.26 C ATOM 371 O ARG A 66 29.235 23.918 34.299 1.00 9.29 O ATOM 372 CB ARG A 66 30.469 21.988 36.272 1.00 8.55 C ATOM 373 CG ARG A 66 30.497 20.832 37.269 1.00 8.86 C ATOM 374 CD ARG A 66 31.851 20.150 37.327 1.00 9.62 C ATOM 375 NE ARG A 66 31.935 19.404 38.566 1.00 10.19 N ATOM 376 CZ ARG A 66 33.078 19.174 39.203 1.00 12.99 C ATOM 377 NH1 ARG A 66 34.245 19.436 38.608 1.00 11.98 N ATOM 378 NH2 ARG A 66 33.066 18.655 40.426 1.00 15.26 N ATOM 0 H ARG A 66 28.020 21.618 35.325 1.00 8.70 H new ATOM 0 HA ARG A 66 29.140 23.086 37.338 1.00 8.06 H new ATOM 0 HB2 ARG A 66 30.546 21.646 35.368 1.00 8.55 H new ATOM 0 HB3 ARG A 66 31.230 22.570 36.421 1.00 8.55 H new ATOM 0 HG2 ARG A 66 30.267 21.163 38.151 1.00 8.86 H new ATOM 0 HG3 ARG A 66 29.820 20.181 37.025 1.00 8.86 H new ATOM 0 HD2 ARG A 66 31.963 19.557 36.568 1.00 9.62 H new ATOM 0 HD3 ARG A 66 32.562 20.808 37.280 1.00 9.62 H new ATOM 0 HE ARG A 66 31.208 19.094 38.906 1.00 10.19 H new ATOM 0 HH11 ARG A 66 34.258 19.755 37.809 1.00 11.98 H new ATOM 0 HH12 ARG A 66 34.983 19.286 39.024 1.00 11.98 H new ATOM 0 HH21 ARG A 66 32.318 18.468 40.806 1.00 15.26 H new ATOM 0 HH22 ARG A 66 33.806 18.507 40.837 1.00 15.26 H new ATOM 379 N LEU A 67 28.909 25.149 36.182 1.00 9.50 N ATOM 380 CA ALEU A 67 28.786 26.433 35.512 0.50 8.48 C ATOM 381 CA BLEU A 67 28.793 26.445 35.520 0.50 7.80 C ATOM 382 C LEU A 67 30.054 27.229 35.715 1.00 9.45 C ATOM 383 O LEU A 67 30.802 26.930 36.656 1.00 10.43 O ATOM 384 CB ALEU A 67 27.606 27.201 36.147 0.50 9.04 C ATOM 385 CB BLEU A 67 27.638 27.257 36.159 0.50 7.75 C ATOM 386 CG ALEU A 67 26.255 26.466 36.116 0.50 12.03 C ATOM 387 CG BLEU A 67 26.276 26.552 36.251 0.50 9.46 C ATOM 388 CD1ALEU A 67 25.947 25.781 37.446 0.50 13.00 C ATOM 389 CD1BLEU A 67 25.259 27.409 36.998 0.50 9.47 C ATOM 390 CD2ALEU A 67 25.144 27.409 35.785 0.50 13.39 C ATOM 391 CD2BLEU A 67 25.744 26.197 34.883 0.50 12.39 C ATOM 0 H ALEU A 67 28.828 25.198 37.037 0.50 9.50 H new ATOM 0 H BLEU A 67 28.823 25.194 37.036 0.50 9.50 H new ATOM 0 HA ALEU A 67 28.635 26.300 34.563 0.50 7.80 H new ATOM 0 HA BLEU A 67 28.626 26.294 34.577 0.50 7.80 H new ATOM 0 HB2ALEU A 67 27.828 27.401 37.070 0.50 7.75 H new ATOM 0 HB2BLEU A 67 27.907 27.516 37.054 0.50 7.75 H new ATOM 0 HB3ALEU A 67 27.507 28.050 35.688 0.50 7.75 H new ATOM 0 HB3BLEU A 67 27.523 28.075 35.650 0.50 7.75 H new ATOM 0 HG ALEU A 67 26.324 25.787 35.427 0.50 9.46 H new ATOM 0 HG BLEU A 67 26.415 25.731 36.749 0.50 9.46 H new ATOM 0 HD11ALEU A 67 25.090 25.330 37.387 0.50 9.47 H new ATOM 0 HD11BLEU A 67 24.411 26.941 37.041 0.50 9.47 H new ATOM 0 HD12ALEU A 67 26.640 25.132 37.644 0.50 9.47 H new ATOM 0 HD12BLEU A 67 25.579 27.581 37.897 0.50 9.47 H new ATOM 0 HD13ALEU A 67 25.915 26.445 38.152 0.50 9.47 H new ATOM 0 HD13BLEU A 67 25.140 28.251 36.531 0.50 9.47 H new ATOM 0 HD21ALEU A 67 24.303 26.926 35.771 0.50 12.39 H new ATOM 0 HD21BLEU A 67 24.886 25.755 34.974 0.50 12.39 H new ATOM 0 HD22ALEU A 67 25.103 28.109 36.455 0.50 12.39 H new ATOM 0 HD22BLEU A 67 25.636 27.005 34.358 0.50 12.39 H new ATOM 0 HD23ALEU A 67 25.304 27.805 34.914 0.50 12.39 H new ATOM 0 HD23BLEU A 67 26.368 25.603 34.437 0.50 12.39 H new ATOM 392 N GLY A 69 30.304 28.212 34.852 1.00 9.24 N ATOM 393 CA GLY A 69 31.469 29.077 35.009 1.00 9.45 C ATOM 394 C GLY A 69 32.791 28.382 34.779 1.00 11.48 C ATOM 395 O GLY A 69 33.829 28.869 35.239 1.00 12.05 O ATOM 0 H GLY A 69 29.812 28.394 34.171 1.00 9.24 H new ATOM 0 HA2 GLY A 69 31.394 29.820 34.390 1.00 9.45 H new ATOM 0 HA3 GLY A 69 31.463 29.452 35.904 1.00 9.45 H new ATOM 396 N GLU A 70 32.777 27.291 34.026 1.00 9.63 N ATOM 397 CA GLU A 70 33.987 26.542 33.764 1.00 9.69 C ATOM 398 C GLU A 70 34.778 27.039 32.590 1.00 11.39 C ATOM 399 O GLU A 70 34.205 27.399 31.560 1.00 11.28 O ATOM 400 CB GLU A 70 33.626 25.082 33.446 1.00 10.25 C ATOM 401 CG GLU A 70 33.239 24.230 34.625 1.00 11.37 C ATOM 402 CD GLU A 70 34.417 23.764 35.438 1.00 11.75 C ATOM 403 OE1 GLU A 70 35.500 24.389 35.348 1.00 12.54 O ATOM 404 OE2 GLU A 70 34.205 22.865 36.274 1.00 13.48 O ATOM 0 H GLU A 70 32.070 26.969 33.657 1.00 9.63 H new ATOM 0 HA GLU A 70 34.526 26.642 34.565 1.00 9.69 H new ATOM 0 HB2 GLU A 70 32.892 25.079 32.812 1.00 10.25 H new ATOM 0 HB3 GLU A 70 34.384 24.668 33.005 1.00 10.25 H new ATOM 0 HG2 GLU A 70 32.639 24.734 35.197 1.00 11.37 H new ATOM 0 HG3 GLU A 70 32.746 23.456 34.309 1.00 11.37 H new ATOM 405 N ASP A 71 36.097 26.947 32.698 1.00 11.13 N ATOM 406 CA ASP A 71 37.001 27.021 31.550 1.00 10.08 C ATOM 407 C ASP A 71 37.782 25.721 31.527 1.00 13.00 C ATOM 408 O ASP A 71 37.433 24.828 30.766 1.00 12.69 O ATOM 409 CB ASP A 71 37.903 28.234 31.472 1.00 12.99 C ATOM 410 CG ASP A 71 38.598 28.304 30.113 1.00 16.52 C ATOM 411 OD1 ASP A 71 37.909 28.055 29.048 1.00 14.56 O ATOM 412 OD2 ASP A 71 39.820 28.510 30.092 1.00 16.31 O ATOM 0 H ASP A 71 36.501 26.838 33.449 1.00 11.13 H new ATOM 0 HA ASP A 71 36.456 27.139 30.756 1.00 10.08 H new ATOM 0 HB2 ASP A 71 37.382 29.040 31.616 1.00 12.99 H new ATOM 0 HB3 ASP A 71 38.567 28.195 32.178 1.00 12.99 H new ATOM 413 N ASN A 72 38.804 25.581 32.369 1.00 11.28 N ATOM 414 CA ASN A 72 39.539 24.327 32.436 1.00 9.51 C ATOM 415 C ASN A 72 38.721 23.406 33.350 1.00 11.40 C ATOM 416 O ASN A 72 38.554 23.687 34.534 1.00 10.65 O ATOM 417 CB ASN A 72 40.934 24.549 32.993 1.00 9.49 C ATOM 418 CG ASN A 72 41.752 23.300 32.869 1.00 14.45 C ATOM 419 OD1 ASN A 72 41.292 22.191 33.202 1.00 12.55 O ATOM 420 ND2 ASN A 72 42.991 23.441 32.399 1.00 16.54 N ATOM 0 H ASN A 72 39.083 26.194 32.903 1.00 11.28 H new ATOM 0 HA ASN A 72 39.654 23.936 31.556 1.00 9.51 H new ATOM 0 HB2 ASN A 72 41.367 25.275 32.517 1.00 9.49 H new ATOM 0 HB3 ASN A 72 40.878 24.815 33.924 1.00 9.49 H new ATOM 0 HD21 ASN A 72 43.501 22.753 32.317 1.00 16.54 H new ATOM 0 HD22 ASN A 72 43.281 24.220 32.177 1.00 16.54 H new ATOM 421 N ILE A 73 38.188 22.333 32.797 1.00 8.95 N ATOM 422 CA ILE A 73 37.332 21.427 33.572 1.00 8.57 C ATOM 423 C ILE A 73 38.096 20.577 34.576 1.00 9.84 C ATOM 424 O ILE A 73 37.461 19.885 35.389 1.00 10.09 O ATOM 425 CB ILE A 73 36.405 20.590 32.692 1.00 11.23 C ATOM 426 CG1 ILE A 73 37.200 19.862 31.585 1.00 11.29 C ATOM 427 CG2 ILE A 73 35.267 21.462 32.131 1.00 12.47 C ATOM 428 CD1 ILE A 73 36.329 18.793 30.796 1.00 16.20 C ATOM 0 H ILE A 73 38.304 22.103 31.976 1.00 8.95 H new ATOM 0 HA ILE A 73 36.763 22.009 34.100 1.00 8.57 H new ATOM 0 HB ILE A 73 35.994 19.899 33.235 1.00 11.23 H new ATOM 0 HG12 ILE A 73 37.545 20.517 30.958 1.00 11.29 H new ATOM 0 HG13 ILE A 73 37.966 19.418 31.982 1.00 11.29 H new ATOM 0 HG21 ILE A 73 34.687 20.919 31.575 1.00 12.47 H new ATOM 0 HG22 ILE A 73 34.754 21.836 32.864 1.00 12.47 H new ATOM 0 HG23 ILE A 73 35.642 22.182 31.600 1.00 12.47 H new ATOM 0 HD11 ILE A 73 36.875 18.368 30.116 1.00 16.20 H new ATOM 0 HD12 ILE A 73 36.003 18.121 31.415 1.00 16.20 H new ATOM 0 HD13 ILE A 73 35.576 19.236 30.375 1.00 16.20 H new ATOM 429 N ASN A 74 39.427 20.597 34.530 1.00 8.89 N ATOM 430 CA ASN A 74 40.245 19.820 35.452 1.00 8.28 C ATOM 431 C ASN A 74 40.857 20.651 36.545 1.00 10.11 C ATOM 432 O ASN A 74 41.536 20.074 37.402 1.00 11.22 O ATOM 433 CB ASN A 74 41.330 19.059 34.713 1.00 8.95 C ATOM 434 CG ASN A 74 40.840 17.727 34.231 1.00 11.29 C ATOM 435 OD1 ASN A 74 40.071 17.045 34.908 1.00 9.96 O ATOM 436 ND2 ASN A 74 41.352 17.265 33.091 1.00 12.22 N ATOM 0 H ASN A 74 39.878 21.061 33.964 1.00 8.89 H new ATOM 0 HA ASN A 74 39.641 19.190 35.875 1.00 8.28 H new ATOM 0 HB2 ASN A 74 41.637 19.584 33.958 1.00 8.95 H new ATOM 0 HB3 ASN A 74 42.093 18.931 35.299 1.00 8.95 H new ATOM 0 HD21 ASN A 74 41.147 16.477 32.816 1.00 12.22 H new ATOM 0 HD22 ASN A 74 41.888 17.755 32.630 1.00 12.22 H new ATOM 437 N VAL A 75 40.644 21.966 36.570 1.00 9.53 N ATOM 438 CA VAL A 75 41.244 22.877 37.542 1.00 9.61 C ATOM 439 C VAL A 75 40.196 23.810 38.092 1.00 10.95 C ATOM 440 O VAL A 75 39.437 24.415 37.318 1.00 11.23 O ATOM 441 CB VAL A 75 42.394 23.687 36.891 1.00 12.18 C ATOM 442 CG1 VAL A 75 43.032 24.664 37.893 1.00 12.17 C ATOM 443 CG2 VAL A 75 43.471 22.758 36.330 1.00 12.70 C ATOM 0 H VAL A 75 40.131 22.363 36.005 1.00 9.53 H new ATOM 0 HA VAL A 75 41.612 22.353 38.270 1.00 9.61 H new ATOM 0 HB VAL A 75 42.005 24.198 36.164 1.00 12.18 H new ATOM 0 HG11 VAL A 75 43.746 25.155 37.457 1.00 12.17 H new ATOM 0 HG12 VAL A 75 42.360 25.287 38.211 1.00 12.17 H new ATOM 0 HG13 VAL A 75 43.393 24.168 38.644 1.00 12.17 H new ATOM 0 HG21 VAL A 75 44.178 23.287 35.929 1.00 12.70 H new ATOM 0 HG22 VAL A 75 43.839 22.218 37.047 1.00 12.70 H new ATOM 0 HG23 VAL A 75 43.080 22.178 35.658 1.00 12.70 H new ATOM 444 N VAL A 76 40.176 24.018 39.423 1.00 10.82 N ATOM 445 CA VAL A 76 39.242 24.992 40.010 1.00 11.36 C ATOM 446 C VAL A 76 39.932 26.350 39.883 1.00 14.95 C ATOM 447 O VAL A 76 40.993 26.596 40.499 1.00 16.13 O ATOM 448 CB VAL A 76 38.880 24.622 41.464 1.00 14.00 C ATOM 449 CG1 VAL A 76 38.057 25.736 42.135 1.00 15.95 C ATOM 450 CG2 VAL A 76 38.115 23.299 41.506 1.00 14.15 C ATOM 0 H VAL A 76 40.683 23.614 39.988 1.00 10.82 H new ATOM 0 HA VAL A 76 38.389 25.005 39.549 1.00 11.36 H new ATOM 0 HB VAL A 76 39.708 24.520 41.959 1.00 14.00 H new ATOM 0 HG11 VAL A 76 37.844 25.478 43.045 1.00 15.95 H new ATOM 0 HG12 VAL A 76 38.572 26.558 42.145 1.00 15.95 H new ATOM 0 HG13 VAL A 76 37.236 25.876 41.638 1.00 15.95 H new ATOM 0 HG21 VAL A 76 37.895 23.081 42.425 1.00 14.15 H new ATOM 0 HG22 VAL A 76 37.298 23.381 40.989 1.00 14.15 H new ATOM 0 HG23 VAL A 76 38.666 22.595 41.130 1.00 14.15 H new ATOM 451 N GLU A 77 39.366 27.219 39.027 1.00 12.79 N ATOM 452 CA GLU A 77 39.967 28.499 38.657 1.00 13.07 C ATOM 453 C GLU A 77 39.345 29.697 39.355 1.00 18.93 C ATOM 454 O GLU A 77 39.960 30.770 39.331 1.00 19.60 O ATOM 455 CB GLU A 77 40.014 28.676 37.129 1.00 14.31 C ATOM 456 CG GLU A 77 40.820 27.600 36.419 1.00 16.37 C ATOM 457 CD GLU A 77 40.886 27.726 34.913 1.00 19.94 C ATOM 458 OE1 GLU A 77 39.846 27.542 34.245 1.00 15.82 O ATOM 459 OE2 GLU A 77 41.996 27.973 34.390 1.00 26.75 O ATOM 0 H GLU A 77 38.611 27.072 38.643 1.00 12.79 H new ATOM 0 HA GLU A 77 40.881 28.467 38.981 1.00 13.07 H new ATOM 0 HB2 GLU A 77 39.108 28.673 36.782 1.00 14.31 H new ATOM 0 HB3 GLU A 77 40.394 29.544 36.923 1.00 14.31 H new ATOM 0 HG2 GLU A 77 41.725 27.611 36.769 1.00 16.37 H new ATOM 0 HG3 GLU A 77 40.441 26.735 36.640 1.00 16.37 H new ATOM 460 N GLY A 78 38.179 29.534 39.973 1.00 15.44 N ATOM 461 CA GLY A 78 37.582 30.609 40.765 1.00 15.55 C ATOM 462 C GLY A 78 36.215 31.131 40.371 1.00 18.09 C ATOM 463 O GLY A 78 35.604 31.878 41.148 1.00 19.53 O ATOM 0 H GLY A 78 37.716 28.809 39.947 1.00 15.44 H new ATOM 0 HA2 GLY A 78 37.526 30.301 41.683 1.00 15.55 H new ATOM 0 HA3 GLY A 78 38.197 31.359 40.754 1.00 15.55 H new ATOM 464 N ASN A 79 35.714 30.791 39.187 1.00 13.33 N ATOM 465 CA ASN A 79 34.404 31.304 38.762 1.00 12.56 C ATOM 466 C ASN A 79 33.342 30.208 38.657 1.00 12.93 C ATOM 467 O ASN A 79 32.216 30.464 38.238 1.00 13.62 O ATOM 468 CB ASN A 79 34.539 32.046 37.431 1.00 15.81 C ATOM 469 CG ASN A 79 35.337 33.306 37.592 1.00 21.84 C ATOM 470 OD1 ASN A 79 34.924 34.228 38.295 1.00 25.40 O ATOM 471 ND2 ASN A 79 36.512 33.354 36.988 1.00 21.32 N ATOM 0 H ASN A 79 36.104 30.275 38.621 1.00 13.33 H new ATOM 0 HA ASN A 79 34.102 31.918 39.449 1.00 12.56 H new ATOM 0 HB2 ASN A 79 34.967 31.470 36.778 1.00 15.81 H new ATOM 0 HB3 ASN A 79 33.658 32.260 37.086 1.00 15.81 H new ATOM 0 HD21 ASN A 79 37.015 34.045 37.080 1.00 21.32 H new ATOM 0 HD22 ASN A 79 36.773 32.694 36.503 1.00 21.32 H new ATOM 472 N GLU A 80 33.688 28.993 39.054 1.00 11.63 N ATOM 473 CA GLU A 80 32.764 27.887 38.948 1.00 11.48 C ATOM 474 C GLU A 80 31.656 27.924 39.957 1.00 14.44 C ATOM 475 O GLU A 80 31.824 28.400 41.096 1.00 14.09 O ATOM 476 CB GLU A 80 33.479 26.557 39.153 1.00 12.96 C ATOM 477 CG GLU A 80 34.611 26.282 38.183 1.00 14.75 C ATOM 478 CD GLU A 80 35.991 26.700 38.654 1.00 14.12 C ATOM 479 OE1 GLU A 80 36.124 27.494 39.628 1.00 14.47 O ATOM 480 OE2 GLU A 80 36.953 26.255 37.989 1.00 11.91 O ATOM 0 H GLU A 80 34.455 28.791 39.387 1.00 11.63 H new ATOM 0 HA GLU A 80 32.390 27.971 38.057 1.00 11.48 H new ATOM 0 HB2 GLU A 80 33.831 26.531 40.056 1.00 12.96 H new ATOM 0 HB3 GLU A 80 32.828 25.841 39.081 1.00 12.96 H new ATOM 0 HG2 GLU A 80 34.627 25.332 37.990 1.00 14.75 H new ATOM 0 HG3 GLU A 80 34.419 26.738 37.349 1.00 14.75 H new ATOM 481 N GLN A 81 30.530 27.333 39.569 1.00 11.60 N ATOM 482 CA GLN A 81 29.412 27.042 40.457 1.00 10.74 C ATOM 483 C GLN A 81 29.063 25.593 40.169 1.00 13.31 C ATOM 484 O GLN A 81 28.839 25.244 39.009 1.00 13.96 O ATOM 485 CB GLN A 81 28.219 27.952 40.196 1.00 12.04 C ATOM 486 CG GLN A 81 28.541 29.390 40.586 1.00 13.48 C ATOM 487 CD GLN A 81 27.370 30.283 40.307 1.00 14.70 C ATOM 488 OE1 GLN A 81 26.243 30.011 40.742 1.00 16.21 O ATOM 489 NE2 GLN A 81 27.639 31.364 39.626 1.00 14.97 N ATOM 0 H GLN A 81 30.393 27.083 38.758 1.00 11.60 H new ATOM 0 HA GLN A 81 29.647 27.193 41.386 1.00 10.74 H new ATOM 0 HB2 GLN A 81 27.976 27.913 39.258 1.00 12.04 H new ATOM 0 HB3 GLN A 81 27.452 27.639 40.701 1.00 12.04 H new ATOM 0 HG2 GLN A 81 28.770 29.432 41.528 1.00 13.48 H new ATOM 0 HG3 GLN A 81 29.316 29.699 40.091 1.00 13.48 H new ATOM 0 HE21 GLN A 81 28.439 31.507 39.345 1.00 14.97 H new ATOM 0 HE22 GLN A 81 27.016 31.933 39.458 1.00 14.97 H new ATOM 490 N PHE A 82 29.081 24.725 41.172 1.00 10.61 N ATOM 491 CA PHE A 82 28.764 23.309 41.008 1.00 10.91 C ATOM 492 C PHE A 82 27.438 23.060 41.695 1.00 15.05 C ATOM 493 O PHE A 82 27.327 23.286 42.910 1.00 15.71 O ATOM 494 CB PHE A 82 29.825 22.439 41.669 1.00 13.01 C ATOM 495 CG PHE A 82 31.245 22.519 41.168 1.00 14.15 C ATOM 496 CD1 PHE A 82 31.534 23.062 39.917 1.00 14.92 C ATOM 497 CD2 PHE A 82 32.279 21.939 41.891 1.00 17.91 C ATOM 498 CE1 PHE A 82 32.847 23.077 39.434 1.00 14.92 C ATOM 499 CE2 PHE A 82 33.582 21.947 41.402 1.00 20.44 C ATOM 500 CZ PHE A 82 33.855 22.528 40.184 1.00 17.05 C ATOM 0 H PHE A 82 29.280 24.943 41.980 1.00 10.61 H new ATOM 0 HA PHE A 82 28.728 23.088 40.064 1.00 10.91 H new ATOM 0 HB2 PHE A 82 29.835 22.655 42.615 1.00 13.01 H new ATOM 0 HB3 PHE A 82 29.538 21.516 41.592 1.00 13.01 H new ATOM 0 HD1 PHE A 82 30.848 23.417 39.399 1.00 14.92 H new ATOM 0 HD2 PHE A 82 32.099 21.540 42.712 1.00 17.91 H new ATOM 0 HE1 PHE A 82 33.035 23.458 38.607 1.00 14.92 H new ATOM 0 HE2 PHE A 82 34.268 21.560 41.897 1.00 20.44 H new ATOM 0 HZ PHE A 82 34.729 22.548 39.868 1.00 17.05 H new ATOM 501 N ILE A 83 26.417 22.658 40.943 1.00 12.16 N ATOM 502 CA ILE A 83 25.060 22.502 41.486 1.00 11.36 C ATOM 503 C ILE A 83 24.483 21.202 40.989 1.00 13.90 C ATOM 504 O ILE A 83 24.461 20.951 39.783 1.00 12.84 O ATOM 505 CB ILE A 83 24.170 23.673 41.009 1.00 12.45 C ATOM 506 CG1 ILE A 83 24.791 25.063 41.354 1.00 13.73 C ATOM 507 CG2 ILE A 83 22.757 23.549 41.639 1.00 14.37 C ATOM 508 CD1 ILE A 83 24.079 26.236 40.755 1.00 17.27 C ATOM 0 H ILE A 83 26.486 22.468 40.107 1.00 12.16 H new ATOM 0 HA ILE A 83 25.094 22.501 42.455 1.00 11.36 H new ATOM 0 HB ILE A 83 24.105 23.618 40.043 1.00 12.45 H new ATOM 0 HG12 ILE A 83 24.804 25.167 42.318 1.00 13.73 H new ATOM 0 HG13 ILE A 83 25.714 25.074 41.055 1.00 13.73 H new ATOM 0 HG21 ILE A 83 22.202 24.285 41.337 1.00 14.37 H new ATOM 0 HG22 ILE A 83 22.354 22.709 41.368 1.00 14.37 H new ATOM 0 HG23 ILE A 83 22.830 23.575 42.606 1.00 14.37 H new ATOM 0 HD11 ILE A 83 24.527 27.055 41.017 1.00 17.27 H new ATOM 0 HD12 ILE A 83 24.086 26.160 39.788 1.00 17.27 H new ATOM 0 HD13 ILE A 83 23.162 26.254 41.071 1.00 17.27 H new ATOM 509 N SER A 84 23.988 20.357 41.898 1.00 12.51 N ATOM 510 CA SER A 84 23.414 19.091 41.517 1.00 12.54 C ATOM 511 C SER A 84 22.089 19.303 40.781 1.00 13.15 C ATOM 512 O SER A 84 21.380 20.281 41.019 1.00 13.36 O ATOM 513 CB SER A 84 23.115 18.269 42.772 1.00 16.96 C ATOM 514 OG SER A 84 24.295 18.016 43.518 1.00 25.28 O ATOM 0 H SER A 84 23.981 20.511 42.744 1.00 12.51 H new ATOM 0 HA SER A 84 24.046 18.634 40.941 1.00 12.54 H new ATOM 0 HB2 SER A 84 22.475 18.743 43.326 1.00 16.96 H new ATOM 0 HB3 SER A 84 22.703 17.428 42.519 1.00 16.96 H new ATOM 0 HG SER A 84 24.473 18.683 43.996 1.00 25.28 H new ATOM 515 N ALA A 85 21.759 18.372 39.885 1.00 12.76 N ATOM 516 CA ALA A 85 20.464 18.373 39.210 1.00 12.94 C ATOM 517 C ALA A 85 19.437 17.825 40.206 1.00 15.48 C ATOM 518 O ALA A 85 19.712 16.854 40.919 1.00 18.04 O ATOM 519 CB ALA A 85 20.518 17.453 38.000 1.00 14.25 C ATOM 0 H ALA A 85 22.278 17.726 39.653 1.00 12.76 H new ATOM 0 HA ALA A 85 20.230 19.267 38.916 1.00 12.94 H new ATOM 0 HB1 ALA A 85 19.657 17.455 37.553 1.00 14.25 H new ATOM 0 HB2 ALA A 85 21.201 17.765 37.386 1.00 14.25 H new ATOM 0 HB3 ALA A 85 20.730 16.551 38.288 1.00 14.25 H new ATOM 520 N SER A 86 18.295 18.469 40.313 1.00 14.00 N ATOM 521 CA SER A 86 17.207 17.943 41.147 1.00 14.82 C ATOM 522 C SER A 86 16.221 17.135 40.311 1.00 16.39 C ATOM 523 O SER A 86 15.514 16.267 40.839 1.00 16.51 O ATOM 524 CB SER A 86 16.482 19.070 41.860 1.00 19.60 C ATOM 525 OG SER A 86 15.954 19.968 40.908 1.00 21.93 O ATOM 0 H SER A 86 18.118 19.211 39.917 1.00 14.00 H new ATOM 0 HA SER A 86 17.601 17.357 41.812 1.00 14.82 H new ATOM 0 HB2 SER A 86 15.769 18.711 42.411 1.00 19.60 H new ATOM 0 HB3 SER A 86 17.092 19.535 42.454 1.00 19.60 H new ATOM 0 HG SER A 86 15.552 20.591 41.303 1.00 21.93 H new ATOM 526 N LYS A 87 16.115 17.452 39.012 1.00 13.66 N ATOM 527 CA LYS A 87 15.173 16.751 38.155 1.00 13.69 C ATOM 528 C LYS A 87 15.663 16.852 36.739 1.00 13.96 C ATOM 529 O LYS A 87 16.198 17.882 36.335 1.00 14.37 O ATOM 530 CB LYS A 87 13.794 17.470 38.247 1.00 17.79 C ATOM 531 CG LYS A 87 12.612 16.751 37.596 1.00 22.87 C ATOM 532 CD LYS A 87 11.338 17.623 37.607 1.00 27.23 C ATOM 533 CE LYS A 87 10.424 17.273 38.759 1.00 32.93 C ATOM 534 NZ LYS A 87 9.073 17.880 38.606 1.00 28.68 N ATOM 0 H LYS A 87 16.577 18.063 38.620 1.00 13.66 H new ATOM 0 HA LYS A 87 15.091 15.823 38.425 1.00 13.69 H new ATOM 0 HB2 LYS A 87 13.586 17.612 39.184 1.00 17.79 H new ATOM 0 HB3 LYS A 87 13.879 18.346 37.840 1.00 17.79 H new ATOM 0 HG2 LYS A 87 12.838 16.519 36.682 1.00 22.87 H new ATOM 0 HG3 LYS A 87 12.440 15.920 38.066 1.00 22.87 H new ATOM 0 HD2 LYS A 87 11.588 18.559 37.666 1.00 27.23 H new ATOM 0 HD3 LYS A 87 10.861 17.508 36.770 1.00 27.23 H new ATOM 0 HE2 LYS A 87 10.339 16.309 38.821 1.00 32.93 H new ATOM 0 HE3 LYS A 87 10.822 17.577 39.590 1.00 32.93 H new ATOM 0 HZ1 LYS A 87 8.932 18.462 39.265 1.00 28.68 H new ATOM 0 HZ2 LYS A 87 9.023 18.301 37.823 1.00 28.68 H new ATOM 0 HZ3 LYS A 87 8.455 17.241 38.638 1.00 28.68 H new ATOM 535 N SER A 88 15.466 15.793 35.988 1.00 10.79 N ATOM 536 CA ASER A 88 15.769 15.769 34.569 0.50 10.68 C ATOM 537 CA BSER A 88 15.755 15.817 34.561 0.50 11.36 C ATOM 538 C SER A 88 14.461 15.439 33.856 1.00 11.04 C ATOM 539 O SER A 88 13.694 14.582 34.346 1.00 11.03 O ATOM 540 CB ASER A 88 16.840 14.730 34.280 0.50 12.82 C ATOM 541 CB BSER A 88 16.881 14.865 34.187 0.50 16.20 C ATOM 542 OG ASER A 88 18.069 15.217 34.799 0.50 14.23 O ATOM 543 OG BSER A 88 16.537 13.522 34.466 0.50 27.25 O ATOM 0 H ASER A 88 15.147 15.053 36.288 0.50 10.79 H new ATOM 0 H BSER A 88 15.164 15.043 36.280 0.50 10.79 H new ATOM 0 HA ASER A 88 16.117 16.620 34.260 0.50 11.36 H new ATOM 0 HA BSER A 88 16.060 16.698 34.293 0.50 11.36 H new ATOM 0 HB2ASER A 88 16.610 13.882 34.690 0.50 16.20 H new ATOM 0 HB2BSER A 88 17.086 14.959 33.243 0.50 16.20 H new ATOM 0 HB3ASER A 88 16.912 14.573 33.326 0.50 16.20 H new ATOM 0 HB3BSER A 88 17.684 15.103 34.676 0.50 16.20 H new ATOM 0 HG ASER A 88 18.457 14.604 35.222 0.50 27.25 H new ATOM 0 HG BSER A 88 16.951 13.012 33.942 0.50 27.25 H new ATOM 544 N ILE A 89 14.183 16.114 32.750 1.00 9.26 N ATOM 545 CA ILE A 89 12.967 15.893 31.971 1.00 8.45 C ATOM 546 C ILE A 89 13.359 15.697 30.527 1.00 9.59 C ATOM 547 O ILE A 89 13.710 16.674 29.862 1.00 8.65 O ATOM 548 CB ILE A 89 11.964 17.038 32.110 1.00 9.43 C ATOM 549 CG1 ILE A 89 11.589 17.251 33.600 1.00 10.12 C ATOM 550 CG2 ILE A 89 10.699 16.708 31.277 1.00 10.37 C ATOM 551 CD1 ILE A 89 10.837 18.529 33.844 1.00 11.89 C ATOM 0 H ILE A 89 14.699 16.720 32.425 1.00 9.26 H new ATOM 0 HA ILE A 89 12.520 15.103 32.312 1.00 8.45 H new ATOM 0 HB ILE A 89 12.363 17.858 31.780 1.00 9.43 H new ATOM 0 HG12 ILE A 89 11.050 16.503 33.902 1.00 10.12 H new ATOM 0 HG13 ILE A 89 12.399 17.252 34.134 1.00 10.12 H new ATOM 0 HG21 ILE A 89 10.058 17.431 31.361 1.00 10.37 H new ATOM 0 HG22 ILE A 89 10.944 16.601 30.345 1.00 10.37 H new ATOM 0 HG23 ILE A 89 10.302 15.885 31.603 1.00 10.37 H new ATOM 0 HD11 ILE A 89 10.630 18.608 34.788 1.00 11.89 H new ATOM 0 HD12 ILE A 89 11.382 19.283 33.569 1.00 11.89 H new ATOM 0 HD13 ILE A 89 10.013 18.522 33.333 1.00 11.89 H new ATOM 552 N VAL A 90 13.364 14.447 30.083 1.00 7.84 N ATOM 553 CA VAL A 90 13.627 14.139 28.690 1.00 7.20 C ATOM 554 C VAL A 90 12.366 14.439 27.893 1.00 9.86 C ATOM 555 O VAL A 90 11.250 14.193 28.381 1.00 8.82 O ATOM 556 CB VAL A 90 14.083 12.665 28.566 1.00 8.79 C ATOM 557 CG1 VAL A 90 14.090 12.175 27.118 1.00 8.89 C ATOM 558 CG2 VAL A 90 15.467 12.448 29.217 1.00 9.74 C ATOM 0 H VAL A 90 13.216 13.760 30.578 1.00 7.84 H new ATOM 0 HA VAL A 90 14.345 14.684 28.332 1.00 7.20 H new ATOM 0 HB VAL A 90 13.429 12.135 29.047 1.00 8.79 H new ATOM 0 HG11 VAL A 90 14.381 11.250 27.091 1.00 8.89 H new ATOM 0 HG12 VAL A 90 13.196 12.243 26.749 1.00 8.89 H new ATOM 0 HG13 VAL A 90 14.698 12.721 26.594 1.00 8.89 H new ATOM 0 HG21 VAL A 90 15.726 11.518 29.124 1.00 9.74 H new ATOM 0 HG22 VAL A 90 16.123 13.011 28.778 1.00 9.74 H new ATOM 0 HG23 VAL A 90 15.422 12.678 30.158 1.00 9.74 H new ATOM 559 N HIS A 91 12.526 14.947 26.663 1.00 7.98 N ATOM 560 CA HIS A 91 11.348 15.248 25.837 1.00 7.72 C ATOM 561 C HIS A 91 10.450 14.021 25.722 1.00 8.56 C ATOM 562 O HIS A 91 10.943 12.909 25.526 1.00 7.78 O ATOM 563 CB HIS A 91 11.770 15.693 24.446 1.00 8.40 C ATOM 564 CG HIS A 91 10.653 16.307 23.676 1.00 8.78 C ATOM 565 ND1 HIS A 91 9.717 15.527 22.997 1.00 9.22 N ATOM 566 CD2 HIS A 91 10.285 17.600 23.607 1.00 10.79 C ATOM 567 CE1 HIS A 91 8.831 16.391 22.511 1.00 9.04 C ATOM 568 NE2 HIS A 91 9.146 17.647 22.843 1.00 11.18 N ATOM 0 H HIS A 91 13.285 15.120 26.297 1.00 7.98 H new ATOM 0 HA HIS A 91 10.857 15.966 26.266 1.00 7.72 H new ATOM 0 HB2 HIS A 91 12.496 16.332 24.521 1.00 8.40 H new ATOM 0 HB3 HIS A 91 12.114 14.929 23.957 1.00 8.40 H new ATOM 0 HD2 HIS A 91 10.719 18.322 24.001 1.00 10.79 H new ATOM 0 HE1 HIS A 91 8.088 16.152 22.005 1.00 9.04 H new ATOM 0 HE2 HIS A 91 8.713 18.356 22.619 1.00 11.18 H new ATOM 569 N PRO A 92 9.133 14.191 25.873 1.00 8.42 N ATOM 570 CA PRO A 92 8.232 13.035 25.843 1.00 9.09 C ATOM 571 C PRO A 92 8.316 12.195 24.578 1.00 10.15 C ATOM 572 O PRO A 92 8.068 10.984 24.658 1.00 11.76 O ATOM 573 CB PRO A 92 6.840 13.661 26.031 1.00 11.57 C ATOM 574 CG PRO A 92 7.004 15.078 25.757 1.00 15.22 C ATOM 575 CD PRO A 92 8.414 15.458 26.130 1.00 9.35 C ATOM 0 HA PRO A 92 8.467 12.393 26.531 1.00 9.09 H new ATOM 0 HB2 PRO A 92 6.194 13.262 25.427 1.00 11.57 H new ATOM 0 HB3 PRO A 92 6.512 13.516 26.932 1.00 11.57 H new ATOM 0 HG2 PRO A 92 6.838 15.265 24.820 1.00 15.22 H new ATOM 0 HG3 PRO A 92 6.365 15.599 26.267 1.00 15.22 H new ATOM 0 HD2 PRO A 92 8.752 16.187 25.587 1.00 9.35 H new ATOM 0 HD3 PRO A 92 8.485 15.737 27.056 1.00 9.35 H new ATOM 576 N SER A 93 8.726 12.792 23.469 1.00 9.08 N ATOM 577 CA SER A 93 8.795 12.080 22.178 1.00 8.74 C ATOM 578 C SER A 93 10.199 11.703 21.734 1.00 9.10 C ATOM 579 O SER A 93 10.420 11.348 20.564 1.00 9.95 O ATOM 580 CB SER A 93 8.144 12.911 21.089 1.00 11.53 C ATOM 581 OG SER A 93 6.776 13.119 21.398 1.00 18.50 O ATOM 0 H SER A 93 8.973 13.615 23.432 1.00 9.08 H new ATOM 0 HA SER A 93 8.319 11.247 22.322 1.00 8.74 H new ATOM 0 HB2 SER A 93 8.599 13.764 21.006 1.00 11.53 H new ATOM 0 HB3 SER A 93 8.226 12.461 20.234 1.00 11.53 H new ATOM 0 HG SER A 93 6.660 13.916 21.636 1.00 18.50 H new ATOM 582 N TYR A 94 11.174 11.839 22.630 1.00 7.65 N ATOM 583 CA TYR A 94 12.552 11.476 22.262 1.00 7.40 C ATOM 584 C TYR A 94 12.601 10.017 21.813 1.00 9.55 C ATOM 585 O TYR A 94 12.092 9.125 22.495 1.00 8.80 O ATOM 586 CB TYR A 94 13.485 11.697 23.453 1.00 7.84 C ATOM 587 CG TYR A 94 14.861 11.104 23.237 1.00 7.94 C ATOM 588 CD1 TYR A 94 15.665 11.521 22.178 1.00 8.57 C ATOM 589 CD2 TYR A 94 15.393 10.184 24.134 1.00 8.18 C ATOM 590 CE1 TYR A 94 16.939 10.982 21.986 1.00 7.81 C ATOM 591 CE2 TYR A 94 16.673 9.658 23.971 1.00 8.25 C ATOM 592 CZ TYR A 94 17.457 10.096 22.918 1.00 8.03 C ATOM 593 OH TYR A 94 18.720 9.586 22.711 1.00 10.10 O ATOM 0 H TYR A 94 11.070 12.130 23.433 1.00 7.65 H new ATOM 0 HA TYR A 94 12.845 12.039 21.529 1.00 7.40 H new ATOM 0 HB2 TYR A 94 13.570 12.649 23.620 1.00 7.84 H new ATOM 0 HB3 TYR A 94 13.089 11.304 24.246 1.00 7.84 H new ATOM 0 HD1 TYR A 94 15.348 12.168 21.590 1.00 8.57 H new ATOM 0 HD2 TYR A 94 14.881 9.913 24.862 1.00 8.18 H new ATOM 0 HE1 TYR A 94 17.437 11.216 21.237 1.00 7.81 H new ATOM 0 HE2 TYR A 94 16.997 9.019 24.564 1.00 8.25 H new ATOM 0 HH TYR A 94 18.886 9.003 23.293 1.00 10.10 H new ATOM 594 N ASN A 95 13.256 9.792 20.662 1.00 8.63 N ATOM 595 CA ASN A 95 13.476 8.440 20.148 1.00 9.03 C ATOM 596 C ASN A 95 14.977 8.231 20.069 1.00 9.09 C ATOM 597 O ASN A 95 15.640 8.916 19.271 1.00 9.73 O ATOM 598 CB ASN A 95 12.793 8.261 18.780 1.00 10.06 C ATOM 599 CG ASN A 95 13.014 6.872 18.220 1.00 10.66 C ATOM 600 OD1 ASN A 95 14.131 6.403 18.150 1.00 12.71 O ATOM 601 ND2 ASN A 95 11.941 6.175 17.845 1.00 16.88 N ATOM 0 H ASN A 95 13.580 10.416 20.166 1.00 8.63 H new ATOM 0 HA ASN A 95 13.083 7.774 20.734 1.00 9.03 H new ATOM 0 HB2 ASN A 95 11.841 8.426 18.869 1.00 10.06 H new ATOM 0 HB3 ASN A 95 13.138 8.920 18.157 1.00 10.06 H new ATOM 0 HD21 ASN A 95 12.032 5.374 17.545 1.00 16.88 H new ATOM 0 HD22 ASN A 95 11.158 6.526 17.903 1.00 16.88 H new ATOM 602 N SER A 96 15.545 7.340 20.896 1.00 9.51 N ATOM 603 CA SER A 96 16.992 7.159 20.937 1.00 10.10 C ATOM 604 C SER A 96 17.558 6.406 19.732 1.00 12.89 C ATOM 605 O SER A 96 18.774 6.429 19.521 1.00 15.27 O ATOM 606 CB SER A 96 17.415 6.464 22.217 1.00 12.32 C ATOM 607 OG SER A 96 16.709 5.243 22.363 1.00 14.41 O ATOM 0 H SER A 96 15.106 6.836 21.437 1.00 9.51 H new ATOM 0 HA SER A 96 17.364 8.055 20.907 1.00 10.10 H new ATOM 0 HB2 SER A 96 18.370 6.294 22.201 1.00 12.32 H new ATOM 0 HB3 SER A 96 17.242 7.039 22.979 1.00 12.32 H new ATOM 0 HG SER A 96 16.716 5.010 23.170 1.00 14.41 H new ATOM 608 N ASN A 97 16.703 5.788 18.925 1.00 9.89 N ATOM 609 CA ASN A 97 17.182 5.115 17.710 1.00 10.75 C ATOM 610 C ASN A 97 17.354 6.104 16.577 1.00 13.90 C ATOM 611 O ASN A 97 18.254 5.924 15.755 1.00 16.04 O ATOM 612 CB ASN A 97 16.270 3.995 17.285 1.00 13.14 C ATOM 613 CG ASN A 97 16.261 2.879 18.289 1.00 12.56 C ATOM 614 OD1 ASN A 97 17.309 2.535 18.896 1.00 14.28 O ATOM 615 ND2 ASN A 97 15.097 2.300 18.421 1.00 13.11 N ATOM 0 H ASN A 97 15.854 5.744 19.055 1.00 9.89 H new ATOM 0 HA ASN A 97 18.045 4.727 17.925 1.00 10.75 H new ATOM 0 HB2 ASN A 97 15.369 4.336 17.171 1.00 13.14 H new ATOM 0 HB3 ASN A 97 16.555 3.654 16.423 1.00 13.14 H new ATOM 0 HD21 ASN A 97 15.007 1.631 18.955 1.00 13.11 H new ATOM 0 HD22 ASN A 97 14.421 2.587 17.974 1.00 13.11 H new ATOM 616 N THR A 98 16.478 7.108 16.470 1.00 11.44 N ATOM 617 CA THR A 98 16.547 8.083 15.365 1.00 10.27 C ATOM 618 C THR A 98 17.120 9.408 15.790 1.00 10.50 C ATOM 619 O THR A 98 17.446 10.263 14.931 1.00 12.00 O ATOM 620 CB THR A 98 15.159 8.337 14.814 1.00 13.81 C ATOM 621 OG1 THR A 98 14.342 8.933 15.832 1.00 11.88 O ATOM 622 CG2 THR A 98 14.498 7.053 14.272 1.00 13.03 C ATOM 0 H THR A 98 15.835 7.245 17.025 1.00 11.44 H new ATOM 0 HA THR A 98 17.131 7.694 14.695 1.00 10.27 H new ATOM 0 HB THR A 98 15.244 8.945 14.063 1.00 13.81 H new ATOM 0 HG1 THR A 98 13.531 8.813 15.647 1.00 11.88 H new ATOM 0 HG21 THR A 98 13.615 7.263 13.931 1.00 13.03 H new ATOM 0 HG22 THR A 98 15.041 6.686 13.557 1.00 13.03 H new ATOM 0 HG23 THR A 98 14.422 6.402 14.987 1.00 13.03 H new ATOM 623 N LEU A 99 17.185 9.625 17.119 1.00 9.50 N ATOM 624 CA LEU A 99 17.562 10.903 17.731 1.00 9.27 C ATOM 625 C LEU A 99 16.567 12.018 17.457 1.00 9.40 C ATOM 626 O LEU A 99 16.886 13.185 17.687 1.00 9.77 O ATOM 627 CB LEU A 99 19.017 11.332 17.455 1.00 11.63 C ATOM 628 CG LEU A 99 20.051 10.457 18.141 1.00 16.39 C ATOM 629 CD1 LEU A 99 21.426 10.982 17.929 1.00 18.31 C ATOM 630 CD2 LEU A 99 19.812 10.368 19.653 1.00 20.79 C ATOM 0 H LEU A 99 17.005 9.014 17.697 1.00 9.50 H new ATOM 0 HA LEU A 99 17.523 10.730 18.685 1.00 9.27 H new ATOM 0 HB2 LEU A 99 19.175 11.316 16.498 1.00 11.63 H new ATOM 0 HB3 LEU A 99 19.136 12.249 17.747 1.00 11.63 H new ATOM 0 HG LEU A 99 19.962 9.576 17.745 1.00 16.39 H new ATOM 0 HD11 LEU A 99 22.065 10.406 18.377 1.00 18.31 H new ATOM 0 HD12 LEU A 99 21.621 11.004 16.979 1.00 18.31 H new ATOM 0 HD13 LEU A 99 21.490 11.879 18.293 1.00 18.31 H new ATOM 0 HD21 LEU A 99 20.490 9.803 20.055 1.00 20.79 H new ATOM 0 HD22 LEU A 99 19.860 11.256 20.041 1.00 20.79 H new ATOM 0 HD23 LEU A 99 18.935 9.989 19.820 1.00 20.79 H new ATOM 631 N ASN A 100 15.353 11.667 17.024 1.00 7.78 N ATOM 632 CA ASN A 100 14.334 12.692 16.875 1.00 7.14 C ATOM 633 C ASN A 100 13.944 13.198 18.285 1.00 8.67 C ATOM 634 O ASN A 100 13.812 12.413 19.227 1.00 8.58 O ATOM 635 CB ASN A 100 13.146 12.133 16.158 1.00 8.76 C ATOM 636 CG ASN A 100 12.246 13.224 15.608 1.00 10.70 C ATOM 637 OD1 ASN A 100 12.688 14.359 15.315 1.00 11.11 O ATOM 638 ND2 ASN A 100 10.972 12.873 15.411 1.00 12.82 N ATOM 0 H ASN A 100 15.110 10.868 16.819 1.00 7.78 H new ATOM 0 HA ASN A 100 14.674 13.433 16.349 1.00 7.14 H new ATOM 0 HB2 ASN A 100 13.446 11.566 15.431 1.00 8.76 H new ATOM 0 HB3 ASN A 100 12.638 11.572 16.765 1.00 8.76 H new ATOM 0 HD21 ASN A 100 10.419 13.436 15.070 1.00 12.82 H new ATOM 0 HD22 ASN A 100 10.705 12.084 15.625 1.00 12.82 H new ATOM 639 N ASN A 101 13.783 14.521 18.399 1.00 7.69 N ATOM 640 CA ASN A 101 13.421 15.179 19.672 1.00 8.48 C ATOM 641 C ASN A 101 14.499 14.973 20.726 1.00 9.41 C ATOM 642 O ASN A 101 14.201 14.704 21.881 1.00 9.35 O ATOM 643 CB ASN A 101 12.043 14.728 20.189 1.00 8.97 C ATOM 644 CG ASN A 101 10.959 14.759 19.151 1.00 9.63 C ATOM 645 OD1 ASN A 101 10.617 15.913 18.704 1.00 13.87 O flip ATOM 646 ND2 ASN A 101 10.415 13.712 18.746 1.00 9.08 N flip ATOM 0 H ASN A 101 13.880 15.067 17.741 1.00 7.69 H new ATOM 0 HA ASN A 101 13.358 16.130 19.490 1.00 8.48 H new ATOM 0 HB2 ASN A 101 12.118 13.826 20.537 1.00 8.97 H new ATOM 0 HB3 ASN A 101 11.784 15.298 20.930 1.00 8.97 H new ATOM 0 HD21 ASN A 101 10.661 12.950 19.060 1.00 9.08 H new ATOM 0 HD22 ASN A 101 9.794 13.752 18.152 1.00 9.08 H new ATOM 647 N ASP A 102 15.753 15.189 20.314 1.00 8.35 N ATOM 648 CA ASP A 102 16.891 14.984 21.207 1.00 7.70 C ATOM 649 C ASP A 102 17.129 16.215 22.050 1.00 8.61 C ATOM 650 O ASP A 102 18.035 17.041 21.791 1.00 9.60 O ATOM 651 CB ASP A 102 18.142 14.648 20.372 1.00 8.00 C ATOM 652 CG ASP A 102 19.332 14.190 21.204 1.00 10.15 C ATOM 653 OD1 ASP A 102 19.145 13.923 22.423 1.00 9.87 O ATOM 654 OD2 ASP A 102 20.457 14.135 20.646 1.00 11.26 O ATOM 0 H ASP A 102 15.962 15.454 19.523 1.00 8.35 H new ATOM 0 HA ASP A 102 16.700 14.244 21.804 1.00 7.70 H new ATOM 0 HB2 ASP A 102 17.917 13.953 19.734 1.00 8.00 H new ATOM 0 HB3 ASP A 102 18.398 15.431 19.860 1.00 8.00 H new ATOM 655 N ILE A 103 16.287 16.369 23.067 1.00 7.15 N ATOM 656 CA ILE A 103 16.349 17.517 23.972 1.00 6.46 C ATOM 657 C ILE A 103 15.885 17.097 25.349 1.00 6.79 C ATOM 658 O ILE A 103 14.985 16.247 25.495 1.00 7.36 O ATOM 659 CB ILE A 103 15.524 18.716 23.414 1.00 8.37 C ATOM 660 CG1 ILE A 103 15.706 19.959 24.251 1.00 9.07 C ATOM 661 CG2 ILE A 103 14.021 18.367 23.207 1.00 9.85 C ATOM 662 CD1 ILE A 103 15.143 21.224 23.551 1.00 12.30 C ATOM 0 H ILE A 103 15.661 15.810 23.254 1.00 7.15 H new ATOM 0 HA ILE A 103 17.267 17.823 24.041 1.00 6.46 H new ATOM 0 HB ILE A 103 15.881 18.908 22.533 1.00 8.37 H new ATOM 0 HG12 ILE A 103 15.262 19.840 25.105 1.00 9.07 H new ATOM 0 HG13 ILE A 103 16.649 20.087 24.437 1.00 9.07 H new ATOM 0 HG21 ILE A 103 13.553 19.143 22.860 1.00 9.85 H new ATOM 0 HG22 ILE A 103 13.943 17.634 22.577 1.00 9.85 H new ATOM 0 HG23 ILE A 103 13.629 18.107 24.055 1.00 9.85 H new ATOM 0 HD11 ILE A 103 15.280 21.997 24.121 1.00 12.30 H new ATOM 0 HD12 ILE A 103 15.603 21.359 22.708 1.00 12.30 H new ATOM 0 HD13 ILE A 103 14.194 21.108 23.387 1.00 12.30 H new ATOM 663 N MET A 104 16.513 17.692 26.361 1.00 6.99 N ATOM 664 CA AMET A 104 16.104 17.474 27.733 0.50 6.57 C ATOM 665 CA BMET A 104 16.228 17.418 27.770 0.50 5.81 C ATOM 666 C MET A 104 16.377 18.687 28.557 1.00 7.92 C ATOM 667 O MET A 104 17.266 19.494 28.252 1.00 8.56 O ATOM 668 CB AMET A 104 16.801 16.256 28.329 0.50 8.63 C ATOM 669 CB BMET A 104 17.246 16.379 28.284 0.50 6.79 C ATOM 670 CG AMET A 104 18.234 16.523 28.680 0.50 10.08 C ATOM 671 CG BMET A 104 17.133 16.006 29.776 0.50 6.61 C ATOM 672 SD AMET A 104 19.088 15.177 29.484 0.50 13.27 S ATOM 673 SD BMET A 104 18.312 14.719 30.208 0.50 8.17 S ATOM 674 CE AMET A 104 18.341 15.137 30.921 0.50 9.89 C ATOM 675 CE BMET A 104 19.864 15.626 30.066 0.50 8.33 C ATOM 0 H AMET A 104 17.180 18.227 26.267 0.50 6.99 H new ATOM 0 H BMET A 104 17.130 18.279 26.246 0.50 6.99 H new ATOM 0 HA AMET A 104 15.149 17.303 27.737 0.50 5.81 H new ATOM 0 HA BMET A 104 15.325 17.078 27.870 0.50 5.81 H new ATOM 0 HB2AMET A 104 16.324 15.973 29.125 0.50 6.79 H new ATOM 0 HB2BMET A 104 17.150 15.570 27.758 0.50 6.79 H new ATOM 0 HB3AMET A 104 16.758 15.522 27.696 0.50 6.79 H new ATOM 0 HB3BMET A 104 18.140 16.719 28.120 0.50 6.79 H new ATOM 0 HG2AMET A 104 18.713 16.751 27.868 0.50 6.61 H new ATOM 0 HG2BMET A 104 17.292 16.792 30.322 0.50 6.61 H new ATOM 0 HG3AMET A 104 18.270 17.301 29.259 0.50 6.61 H new ATOM 0 HG3BMET A 104 16.232 15.703 29.970 0.50 6.61 H new ATOM 0 HE1AMET A 104 18.894 14.660 31.560 0.50 8.33 H new ATOM 0 HE1BMET A 104 20.433 15.414 30.822 0.50 8.33 H new ATOM 0 HE2AMET A 104 18.193 16.043 31.234 0.50 8.33 H new ATOM 0 HE2BMET A 104 20.313 15.373 29.244 0.50 8.33 H new ATOM 0 HE3AMET A 104 17.488 14.684 30.830 0.50 8.33 H new ATOM 0 HE3BMET A 104 19.682 16.579 30.055 0.50 8.33 H new ATOM 676 N LEU A 105 15.591 18.832 29.612 1.00 7.82 N ATOM 677 CA LEU A 105 15.696 19.929 30.555 1.00 7.50 C ATOM 678 C LEU A 105 16.212 19.391 31.860 1.00 8.60 C ATOM 679 O LEU A 105 15.818 18.303 32.287 1.00 9.49 O ATOM 680 CB LEU A 105 14.339 20.610 30.766 1.00 8.38 C ATOM 681 CG LEU A 105 13.924 21.487 29.596 1.00 10.76 C ATOM 682 CD1 LEU A 105 12.413 21.793 29.646 1.00 11.94 C ATOM 683 CD2 LEU A 105 14.737 22.793 29.604 1.00 13.40 C ATOM 0 H LEU A 105 14.963 18.277 29.804 1.00 7.82 H new ATOM 0 HA LEU A 105 16.306 20.595 30.201 1.00 7.50 H new ATOM 0 HB2 LEU A 105 13.661 19.931 30.911 1.00 8.38 H new ATOM 0 HB3 LEU A 105 14.376 21.150 31.571 1.00 8.38 H new ATOM 0 HG LEU A 105 14.106 21.007 28.773 1.00 10.76 H new ATOM 0 HD11 LEU A 105 12.171 22.353 28.892 1.00 11.94 H new ATOM 0 HD12 LEU A 105 11.913 20.963 29.606 1.00 11.94 H new ATOM 0 HD13 LEU A 105 12.204 22.256 30.472 1.00 11.94 H new ATOM 0 HD21 LEU A 105 14.467 23.347 28.855 1.00 13.40 H new ATOM 0 HD22 LEU A 105 14.576 23.270 30.433 1.00 13.40 H new ATOM 0 HD23 LEU A 105 15.682 22.587 29.529 1.00 13.40 H new ATOM 684 N ILE A 106 17.075 20.148 32.510 1.00 7.99 N ATOM 685 CA ILE A 106 17.622 19.785 33.818 1.00 8.31 C ATOM 686 C ILE A 106 17.328 20.929 34.771 1.00 9.55 C ATOM 687 O ILE A 106 17.739 22.059 34.503 1.00 10.10 O ATOM 688 CB ILE A 106 19.141 19.530 33.726 1.00 9.93 C ATOM 689 CG1 ILE A 106 19.408 18.361 32.784 1.00 10.65 C ATOM 690 CG2 ILE A 106 19.737 19.276 35.135 1.00 14.19 C ATOM 691 CD1 ILE A 106 20.920 18.287 32.405 1.00 14.50 C ATOM 0 H ILE A 106 17.368 20.898 32.207 1.00 7.99 H new ATOM 0 HA ILE A 106 17.213 18.965 34.137 1.00 8.31 H new ATOM 0 HB ILE A 106 19.578 20.317 33.365 1.00 9.93 H new ATOM 0 HG12 ILE A 106 19.135 17.531 33.206 1.00 10.65 H new ATOM 0 HG13 ILE A 106 18.874 18.459 31.981 1.00 10.65 H new ATOM 0 HG21 ILE A 106 20.691 19.118 35.059 1.00 14.19 H new ATOM 0 HG22 ILE A 106 19.582 20.051 35.697 1.00 14.19 H new ATOM 0 HG23 ILE A 106 19.311 18.500 35.531 1.00 14.19 H new ATOM 0 HD11 ILE A 106 21.068 17.538 31.807 1.00 14.50 H new ATOM 0 HD12 ILE A 106 21.184 19.110 31.964 1.00 14.50 H new ATOM 0 HD13 ILE A 106 21.450 18.167 33.209 1.00 14.50 H new ATOM 692 N LYS A 107 16.651 20.628 35.892 1.00 10.20 N ATOM 693 CA LYS A 107 16.407 21.656 36.905 1.00 10.81 C ATOM 694 C LYS A 107 17.526 21.543 37.957 1.00 12.20 C ATOM 695 O LYS A 107 17.885 20.443 38.389 1.00 13.89 O ATOM 696 CB LYS A 107 15.057 21.440 37.601 1.00 12.35 C ATOM 697 CG LYS A 107 14.692 22.652 38.474 1.00 15.75 C ATOM 698 CD LYS A 107 13.347 22.504 39.110 1.00 17.73 C ATOM 699 CE LYS A 107 13.035 23.752 39.908 1.00 19.19 C ATOM 700 NZ LYS A 107 11.749 23.605 40.632 1.00 23.91 N ATOM 0 H LYS A 107 16.333 19.851 36.078 1.00 10.20 H new ATOM 0 HA LYS A 107 16.394 22.529 36.482 1.00 10.81 H new ATOM 0 HB2 LYS A 107 14.365 21.295 36.936 1.00 12.35 H new ATOM 0 HB3 LYS A 107 15.095 20.641 38.150 1.00 12.35 H new ATOM 0 HG2 LYS A 107 15.364 22.766 39.164 1.00 15.75 H new ATOM 0 HG3 LYS A 107 14.705 23.456 37.931 1.00 15.75 H new ATOM 0 HD2 LYS A 107 12.669 22.364 38.430 1.00 17.73 H new ATOM 0 HD3 LYS A 107 13.334 21.725 39.688 1.00 17.73 H new ATOM 0 HE2 LYS A 107 13.750 23.924 40.541 1.00 19.19 H new ATOM 0 HE3 LYS A 107 12.991 24.518 39.315 1.00 19.19 H new ATOM 0 HZ1 LYS A 107 11.589 24.341 41.106 1.00 23.91 H new ATOM 0 HZ2 LYS A 107 11.091 23.481 40.046 1.00 23.91 H new ATOM 0 HZ3 LYS A 107 11.794 22.904 41.179 1.00 23.91 H new ATOM 701 N LEU A 108 18.099 22.684 38.302 1.00 11.00 N ATOM 702 CA LEU A 108 19.153 22.762 39.313 1.00 11.06 C ATOM 703 C LEU A 108 18.551 22.732 40.717 1.00 14.28 C ATOM 704 O LEU A 108 17.487 23.320 40.940 1.00 14.04 O ATOM 705 CB LEU A 108 19.970 24.047 39.134 1.00 12.10 C ATOM 706 CG LEU A 108 20.609 24.269 37.772 1.00 15.38 C ATOM 707 CD1 LEU A 108 21.458 25.541 37.769 1.00 15.58 C ATOM 708 CD2 LEU A 108 21.408 23.059 37.343 1.00 19.21 C ATOM 0 H LEU A 108 17.889 23.443 37.957 1.00 11.00 H new ATOM 0 HA LEU A 108 19.736 21.995 39.202 1.00 11.06 H new ATOM 0 HB2 LEU A 108 19.391 24.802 39.323 1.00 12.10 H new ATOM 0 HB3 LEU A 108 20.673 24.054 39.802 1.00 12.10 H new ATOM 0 HG LEU A 108 19.901 24.391 37.121 1.00 15.38 H new ATOM 0 HD11 LEU A 108 21.855 25.663 36.893 1.00 15.58 H new ATOM 0 HD12 LEU A 108 20.898 26.305 37.979 1.00 15.58 H new ATOM 0 HD13 LEU A 108 22.160 25.463 38.434 1.00 15.58 H new ATOM 0 HD21 LEU A 108 21.805 23.225 36.473 1.00 19.21 H new ATOM 0 HD22 LEU A 108 22.109 22.888 37.991 1.00 19.21 H new ATOM 0 HD23 LEU A 108 20.823 22.287 37.289 1.00 19.21 H new ATOM 709 N LYS A 109 19.259 22.114 41.659 1.00 12.63 N ATOM 710 CA LYS A 109 18.830 22.020 43.071 1.00 14.58 C ATOM 711 C LYS A 109 18.691 23.410 43.684 1.00 17.89 C ATOM 712 O LYS A 109 17.852 23.619 44.583 1.00 18.68 O ATOM 713 CB LYS A 109 19.871 21.216 43.850 1.00 18.73 C ATOM 714 CG LYS A 109 19.465 20.766 45.254 1.00 33.87 C ATOM 715 CD LYS A 109 20.549 19.877 45.852 1.00 42.91 C ATOM 716 CE LYS A 109 20.260 19.499 47.284 1.00 58.59 C ATOM 717 NZ LYS A 109 21.324 18.628 47.849 1.00 70.57 N ATOM 0 H LYS A 109 20.013 21.730 41.503 1.00 12.63 H new ATOM 0 HA LYS A 109 17.967 21.580 43.114 1.00 14.58 H new ATOM 0 HB2 LYS A 109 20.098 20.428 43.331 1.00 18.73 H new ATOM 0 HB3 LYS A 109 20.677 21.750 43.922 1.00 18.73 H new ATOM 0 HG2 LYS A 109 19.322 21.540 45.821 1.00 33.87 H new ATOM 0 HG3 LYS A 109 18.625 20.283 45.216 1.00 33.87 H new ATOM 0 HD2 LYS A 109 20.633 19.071 45.318 1.00 42.91 H new ATOM 0 HD3 LYS A 109 21.402 20.337 45.808 1.00 42.91 H new ATOM 0 HE2 LYS A 109 20.180 20.303 47.821 1.00 58.59 H new ATOM 0 HE3 LYS A 109 19.407 19.040 47.332 1.00 58.59 H new ATOM 0 HZ1 LYS A 109 21.124 18.424 48.692 1.00 70.57 H new ATOM 0 HZ2 LYS A 109 21.382 17.881 47.369 1.00 70.57 H new ATOM 0 HZ3 LYS A 109 22.103 19.057 47.825 1.00 70.57 H new ATOM 718 N SER A 110 19.524 24.356 43.227 1.00 15.01 N ATOM 719 CA SER A 110 19.478 25.731 43.693 1.00 15.70 C ATOM 720 C SER A 110 19.754 26.646 42.519 1.00 19.30 C ATOM 721 O SER A 110 20.372 26.219 41.545 1.00 18.68 O ATOM 722 CB SER A 110 20.507 25.956 44.792 1.00 19.79 C ATOM 723 OG SER A 110 21.833 25.736 44.336 1.00 25.57 O ATOM 0 H SER A 110 20.131 24.208 42.636 1.00 15.01 H new ATOM 0 HA SER A 110 18.601 25.922 44.062 1.00 15.70 H new ATOM 0 HB2 SER A 110 20.428 26.863 45.127 1.00 19.79 H new ATOM 0 HB3 SER A 110 20.319 25.362 45.535 1.00 19.79 H new ATOM 0 HG SER A 110 22.267 26.454 44.377 1.00 25.57 H new ATOM 724 N ALA A 111 19.301 27.896 42.581 1.00 17.48 N ATOM 725 CA ALA A 111 19.501 28.846 41.517 1.00 16.41 C ATOM 726 C ALA A 111 20.957 29.225 41.425 1.00 19.27 C ATOM 727 O ALA A 111 21.614 29.469 42.447 1.00 17.90 O ATOM 728 CB ALA A 111 18.668 30.100 41.765 1.00 17.60 C ATOM 0 H ALA A 111 18.866 28.210 43.253 1.00 17.48 H new ATOM 0 HA ALA A 111 19.222 28.436 40.684 1.00 16.41 H new ATOM 0 HB1 ALA A 111 18.811 30.732 41.043 1.00 17.60 H new ATOM 0 HB2 ALA A 111 17.728 29.862 41.805 1.00 17.60 H new ATOM 0 HB3 ALA A 111 18.934 30.505 42.605 1.00 17.60 H new ATOM 729 N ALA A 112 21.469 29.267 40.205 1.00 14.79 N ATOM 730 CA ALA A 112 22.808 29.751 39.954 1.00 14.66 C ATOM 731 C ALA A 112 22.836 31.243 40.229 1.00 17.83 C ATOM 732 O ALA A 112 21.823 31.933 40.045 1.00 18.31 O ATOM 733 CB ALA A 112 23.153 29.526 38.490 1.00 15.26 C ATOM 0 H ALA A 112 21.046 29.014 39.500 1.00 14.79 H new ATOM 0 HA ALA A 112 23.442 29.285 40.520 1.00 14.66 H new ATOM 0 HB1 ALA A 112 24.051 29.849 38.316 1.00 15.26 H new ATOM 0 HB2 ALA A 112 23.106 28.578 38.288 1.00 15.26 H new ATOM 0 HB3 ALA A 112 22.523 30.007 37.931 1.00 15.26 H new ATOM 734 N SER A 113 23.987 31.741 40.654 1.00 15.75 N ATOM 735 CA ASER A 113 24.200 33.168 40.869 0.50 15.45 C ATOM 736 CA BSER A 113 24.209 33.163 40.874 0.50 15.46 C ATOM 737 C SER A 113 24.659 33.730 39.529 1.00 18.71 C ATOM 738 O SER A 113 25.753 33.403 39.051 1.00 18.03 O ATOM 739 CB ASER A 113 25.263 33.410 41.939 0.50 18.26 C ATOM 740 CB BSER A 113 25.280 33.376 41.942 0.50 18.26 C ATOM 741 OG ASER A 113 25.381 34.801 42.190 0.50 26.54 O ATOM 742 OG BSER A 113 24.788 32.981 43.211 0.50 26.96 O ATOM 0 H ASER A 113 24.676 31.257 40.828 0.50 15.75 H new ATOM 0 H BSER A 113 24.675 31.254 40.826 0.50 15.75 H new ATOM 0 HA ASER A 113 23.388 33.598 41.180 0.50 15.46 H new ATOM 0 HA BSER A 113 23.406 33.607 41.190 0.50 15.46 H new ATOM 0 HB2ASER A 113 25.024 32.944 42.756 0.50 18.26 H new ATOM 0 HB2BSER A 113 26.073 32.864 41.721 0.50 18.26 H new ATOM 0 HB3ASER A 113 26.116 33.052 41.647 0.50 18.26 H new ATOM 0 HB3BSER A 113 25.542 34.310 41.965 0.50 18.26 H new ATOM 0 HG ASER A 113 26.152 35.059 41.980 0.50 26.96 H new ATOM 0 HG BSER A 113 25.383 33.100 43.792 0.50 26.96 H new ATOM 743 N LEU A 114 23.799 34.518 38.873 1.00 16.79 N ATOM 744 CA LEU A 114 24.137 35.060 37.569 1.00 16.46 C ATOM 745 C LEU A 114 25.017 36.280 37.652 1.00 21.42 C ATOM 746 O LEU A 114 24.848 37.128 38.537 1.00 21.95 O ATOM 747 CB LEU A 114 22.909 35.316 36.700 1.00 15.99 C ATOM 748 CG LEU A 114 21.971 34.123 36.542 1.00 19.19 C ATOM 749 CD1 LEU A 114 20.754 34.503 35.718 1.00 21.66 C ATOM 750 CD2 LEU A 114 22.690 32.910 35.963 1.00 20.09 C ATOM 0 H LEU A 114 23.024 34.744 39.169 1.00 16.79 H new ATOM 0 HA LEU A 114 24.656 34.368 37.130 1.00 16.46 H new ATOM 0 HB2 LEU A 114 22.409 36.055 37.080 1.00 15.99 H new ATOM 0 HB3 LEU A 114 23.205 35.596 35.820 1.00 15.99 H new ATOM 0 HG LEU A 114 21.664 33.868 37.426 1.00 19.19 H new ATOM 0 HD11 LEU A 114 20.170 33.733 35.628 1.00 21.66 H new ATOM 0 HD12 LEU A 114 20.275 35.222 36.160 1.00 21.66 H new ATOM 0 HD13 LEU A 114 21.038 34.797 34.838 1.00 21.66 H new ATOM 0 HD21 LEU A 114 22.065 32.173 35.877 1.00 20.09 H new ATOM 0 HD22 LEU A 114 23.049 33.133 35.090 1.00 20.09 H new ATOM 0 HD23 LEU A 114 23.415 32.651 36.553 1.00 20.09 H new ATOM 751 N ASN A 115 26.014 36.331 36.765 1.00 18.86 N ATOM 752 CA ASN A 115 26.982 37.416 36.671 1.00 19.10 C ATOM 753 C ASN A 115 27.521 37.465 35.225 1.00 20.49 C ATOM 754 O ASN A 115 26.982 36.780 34.359 1.00 20.06 O ATOM 755 CB ASN A 115 28.092 37.201 37.707 1.00 19.38 C ATOM 756 CG ASN A 115 28.749 35.844 37.619 1.00 28.67 C ATOM 757 OD1 ASN A 115 29.305 35.488 36.587 1.00 23.07 O ATOM 758 ND2 ASN A 115 28.683 35.046 38.683 1.00 20.98 N ATOM 0 H ASN A 115 26.146 35.711 36.183 1.00 18.86 H new ATOM 0 HA ASN A 115 26.572 38.273 36.868 1.00 19.10 H new ATOM 0 HB2 ASN A 115 28.768 37.887 37.592 1.00 19.38 H new ATOM 0 HB3 ASN A 115 27.721 37.315 38.596 1.00 19.38 H new ATOM 0 HD21 ASN A 115 29.035 34.262 38.655 1.00 20.98 H new ATOM 0 HD22 ASN A 115 28.288 35.315 39.398 1.00 20.98 H new ATOM 759 N SER A 116 28.566 38.237 34.942 1.00 17.12 N ATOM 760 CA SER A 116 29.106 38.309 33.578 1.00 16.54 C ATOM 761 C SER A 116 29.676 36.978 33.050 1.00 17.62 C ATOM 762 O SER A 116 29.715 36.763 31.837 1.00 17.41 O ATOM 763 CB SER A 116 30.215 39.347 33.518 1.00 19.82 C ATOM 764 OG SER A 116 31.282 38.975 34.385 1.00 24.80 O ATOM 0 H SER A 116 28.977 38.725 35.518 1.00 17.12 H new ATOM 0 HA SER A 116 28.352 38.546 33.015 1.00 16.54 H new ATOM 0 HB2 SER A 116 30.542 39.429 32.608 1.00 19.82 H new ATOM 0 HB3 SER A 116 29.868 40.216 33.775 1.00 19.82 H new ATOM 0 HG SER A 116 31.697 39.663 34.630 1.00 24.80 H new ATOM 765 N ARG A 117 30.110 36.109 33.949 1.00 15.18 N ATOM 766 CA ARG A 117 30.767 34.853 33.599 1.00 13.78 C ATOM 767 C ARG A 117 29.856 33.650 33.683 1.00 15.13 C ATOM 768 O ARG A 117 30.226 32.576 33.182 1.00 16.89 O ATOM 769 CB ARG A 117 32.046 34.673 34.415 1.00 13.59 C ATOM 770 CG ARG A 117 33.063 35.764 34.113 1.00 14.68 C ATOM 771 CD ARG A 117 34.321 35.615 34.975 1.00 17.39 C ATOM 772 NE ARG A 117 35.359 36.600 34.626 1.00 21.38 N ATOM 773 CZ ARG A 117 35.381 37.864 35.047 1.00 33.65 C ATOM 774 NH1 ARG A 117 34.427 38.325 35.852 1.00 26.54 N ATOM 775 NH2 ARG A 117 36.365 38.672 34.680 1.00 27.42 N ATOM 0 H ARG A 117 30.031 36.232 34.797 1.00 15.18 H new ATOM 0 HA ARG A 117 31.011 34.913 32.662 1.00 13.78 H new ATOM 0 HB2 ARG A 117 31.831 34.683 35.361 1.00 13.59 H new ATOM 0 HB3 ARG A 117 32.434 33.805 34.222 1.00 13.59 H new ATOM 0 HG2 ARG A 117 33.307 35.730 33.175 1.00 14.68 H new ATOM 0 HG3 ARG A 117 32.663 36.633 34.271 1.00 14.68 H new ATOM 0 HD2 ARG A 117 34.083 35.716 35.910 1.00 17.39 H new ATOM 0 HD3 ARG A 117 34.679 34.720 34.869 1.00 17.39 H new ATOM 0 HE ARG A 117 35.998 36.340 34.113 1.00 21.38 H new ATOM 0 HH11 ARG A 117 33.790 37.806 36.105 1.00 26.54 H new ATOM 0 HH12 ARG A 117 34.448 39.142 36.120 1.00 26.54 H new ATOM 0 HH21 ARG A 117 36.992 38.381 34.168 1.00 27.42 H new ATOM 0 HH22 ARG A 117 36.376 39.487 34.953 1.00 27.42 H new ATOM 776 N VAL A 118 28.697 33.789 34.329 1.00 13.31 N ATOM 777 CA VAL A 118 27.683 32.727 34.420 1.00 11.19 C ATOM 778 C VAL A 118 26.404 33.452 34.069 1.00 14.90 C ATOM 779 O VAL A 118 25.908 34.286 34.853 1.00 14.69 O ATOM 780 CB VAL A 118 27.618 32.071 35.817 1.00 13.86 C ATOM 781 CG1 VAL A 118 26.487 31.033 35.859 1.00 13.66 C ATOM 782 CG2 VAL A 118 28.956 31.393 36.153 1.00 14.63 C ATOM 0 H VAL A 118 28.472 34.513 34.734 1.00 13.31 H new ATOM 0 HA VAL A 118 27.875 31.979 33.833 1.00 11.19 H new ATOM 0 HB VAL A 118 27.442 32.762 36.474 1.00 13.86 H new ATOM 0 HG11 VAL A 118 26.453 30.626 36.739 1.00 13.66 H new ATOM 0 HG12 VAL A 118 25.641 31.469 35.672 1.00 13.66 H new ATOM 0 HG13 VAL A 118 26.652 30.348 35.193 1.00 13.66 H new ATOM 0 HG21 VAL A 118 28.901 30.986 37.032 1.00 14.63 H new ATOM 0 HG22 VAL A 118 29.148 30.710 35.492 1.00 14.63 H new ATOM 0 HG23 VAL A 118 29.665 32.055 36.148 1.00 14.63 H new ATOM 783 N ALA A 119 25.879 33.187 32.891 1.00 12.08 N ATOM 784 CA ALA A 119 24.742 33.933 32.369 1.00 10.73 C ATOM 785 C ALA A 119 23.885 33.034 31.533 1.00 12.85 C ATOM 786 O ALA A 119 24.397 32.096 30.906 1.00 12.77 O ATOM 787 CB ALA A 119 25.272 35.079 31.502 1.00 12.73 C ATOM 0 H ALA A 119 26.168 32.570 32.366 1.00 12.08 H new ATOM 0 HA ALA A 119 24.211 34.282 33.102 1.00 10.73 H new ATOM 0 HB1 ALA A 119 24.526 35.587 31.146 1.00 12.73 H new ATOM 0 HB2 ALA A 119 25.831 35.661 32.041 1.00 12.73 H new ATOM 0 HB3 ALA A 119 25.795 34.716 30.770 1.00 12.73 H new ATOM 788 N SER A 120 22.607 33.322 31.475 1.00 11.11 N ATOM 789 CA ASER A 120 21.706 32.534 30.656 0.50 10.98 C ATOM 790 CA BSER A 120 21.694 32.544 30.658 0.50 11.61 C ATOM 791 C SER A 120 21.751 32.957 29.189 1.00 13.43 C ATOM 792 O SER A 120 22.223 34.049 28.839 1.00 13.77 O ATOM 793 CB ASER A 120 20.283 32.615 31.188 0.50 13.67 C ATOM 794 CB BSER A 120 20.269 32.667 31.179 0.50 16.55 C ATOM 795 OG ASER A 120 19.874 33.969 31.285 0.50 11.50 O ATOM 796 OG BSER A 120 20.237 32.438 32.577 0.50 23.70 O ATOM 0 H ASER A 120 22.235 33.970 31.901 0.50 11.11 H new ATOM 0 H BSER A 120 22.239 33.970 31.904 0.50 11.11 H new ATOM 0 HA ASER A 120 22.006 31.613 30.705 0.50 11.61 H new ATOM 0 HA BSER A 120 21.976 31.618 30.717 0.50 11.61 H new ATOM 0 HB2ASER A 120 19.683 32.130 30.600 0.50 16.55 H new ATOM 0 HB2BSER A 120 19.920 33.550 30.981 0.50 16.55 H new ATOM 0 HB3ASER A 120 20.231 32.191 32.059 0.50 16.55 H new ATOM 0 HB3BSER A 120 19.696 32.028 30.727 0.50 16.55 H new ATOM 0 HG ASER A 120 19.320 34.050 31.911 0.50 23.70 H new ATOM 0 HG BSER A 120 19.721 32.992 32.940 0.50 23.70 H new ATOM 797 N ILE A 121 21.293 32.073 28.324 1.00 11.20 N ATOM 798 CA ILE A 121 21.183 32.327 26.889 1.00 11.24 C ATOM 799 C ILE A 121 19.702 32.384 26.553 1.00 13.22 C ATOM 800 O ILE A 121 18.934 31.547 27.002 1.00 13.14 O ATOM 801 CB ILE A 121 21.978 31.304 26.021 1.00 12.85 C ATOM 802 CG1 ILE A 121 22.007 31.713 24.514 1.00 14.37 C ATOM 803 CG2 ILE A 121 21.484 29.848 26.196 1.00 14.26 C ATOM 804 CD1 ILE A 121 22.789 32.946 24.229 1.00 16.99 C ATOM 0 H ILE A 121 21.029 31.287 28.554 1.00 11.20 H new ATOM 0 HA ILE A 121 21.600 33.175 26.670 1.00 11.24 H new ATOM 0 HB ILE A 121 22.889 31.330 26.353 1.00 12.85 H new ATOM 0 HG12 ILE A 121 22.379 30.980 23.998 1.00 14.37 H new ATOM 0 HG13 ILE A 121 21.096 31.842 24.207 1.00 14.37 H new ATOM 0 HG21 ILE A 121 22.011 29.258 25.636 1.00 14.26 H new ATOM 0 HG22 ILE A 121 21.580 29.583 27.124 1.00 14.26 H new ATOM 0 HG23 ILE A 121 20.551 29.790 25.938 1.00 14.26 H new ATOM 0 HD11 ILE A 121 22.761 33.135 23.278 1.00 16.99 H new ATOM 0 HD12 ILE A 121 22.407 33.692 24.718 1.00 16.99 H new ATOM 0 HD13 ILE A 121 23.710 32.817 24.505 1.00 16.99 H new ATOM 805 N SER A 122 19.311 33.355 25.735 1.00 12.24 N ATOM 806 CA SER A 122 17.926 33.500 25.332 1.00 13.62 C ATOM 807 C SER A 122 17.484 32.388 24.409 1.00 13.34 C ATOM 808 O SER A 122 18.251 31.910 23.572 1.00 12.70 O ATOM 809 CB SER A 122 17.740 34.813 24.570 1.00 17.17 C ATOM 810 OG SER A 122 18.046 35.945 25.362 1.00 25.66 O ATOM 0 H SER A 122 19.841 33.944 25.401 1.00 12.24 H new ATOM 0 HA SER A 122 17.397 33.478 26.145 1.00 13.62 H new ATOM 0 HB2 SER A 122 18.306 34.810 23.782 1.00 17.17 H new ATOM 0 HB3 SER A 122 16.823 34.877 24.260 1.00 17.17 H new ATOM 0 HG SER A 122 18.870 35.959 25.524 1.00 25.66 H new ATOM 811 N LEU A 123 16.226 32.004 24.529 1.00 13.54 N ATOM 812 CA LEU A 123 15.591 31.058 23.629 1.00 13.83 C ATOM 813 C LEU A 123 15.213 31.813 22.357 1.00 16.28 C ATOM 814 O LEU A 123 14.920 33.007 22.422 1.00 17.93 O ATOM 815 CB LEU A 123 14.330 30.453 24.257 1.00 14.60 C ATOM 816 CG LEU A 123 14.588 29.524 25.442 1.00 19.98 C ATOM 817 CD1 LEU A 123 13.270 29.165 26.126 1.00 22.48 C ATOM 818 CD2 LEU A 123 15.389 28.290 25.014 1.00 20.32 C ATOM 0 H LEU A 123 15.705 32.292 25.150 1.00 13.54 H new ATOM 0 HA LEU A 123 16.204 30.330 23.439 1.00 13.83 H new ATOM 0 HB2 LEU A 123 13.751 31.174 24.548 1.00 14.60 H new ATOM 0 HB3 LEU A 123 13.848 29.960 23.574 1.00 14.60 H new ATOM 0 HG LEU A 123 15.135 29.989 26.095 1.00 19.98 H new ATOM 0 HD11 LEU A 123 13.445 28.575 26.876 1.00 22.48 H new ATOM 0 HD12 LEU A 123 12.840 29.974 26.444 1.00 22.48 H new ATOM 0 HD13 LEU A 123 12.688 28.717 25.492 1.00 22.48 H new ATOM 0 HD21 LEU A 123 15.539 27.718 25.783 1.00 20.32 H new ATOM 0 HD22 LEU A 123 14.893 27.800 24.339 1.00 20.32 H new ATOM 0 HD23 LEU A 123 16.243 28.569 24.648 1.00 20.32 H new ATOM 819 N PRO A 124 15.189 31.142 21.207 1.00 14.59 N ATOM 820 CA PRO A 124 14.783 31.824 19.961 1.00 16.01 C ATOM 821 C PRO A 124 13.280 32.148 19.968 1.00 19.73 C ATOM 822 O PRO A 124 12.522 31.400 20.547 1.00 19.31 O ATOM 823 CB PRO A 124 15.129 30.821 18.872 1.00 18.16 C ATOM 824 CG PRO A 124 15.228 29.509 19.545 1.00 20.66 C ATOM 825 CD PRO A 124 15.487 29.709 20.995 1.00 15.72 C ATOM 0 HA PRO A 124 15.228 32.677 19.838 1.00 16.01 H new ATOM 0 HB2 PRO A 124 14.447 30.807 18.183 1.00 18.16 H new ATOM 0 HB3 PRO A 124 15.965 31.053 18.439 1.00 18.16 H new ATOM 0 HG2 PRO A 124 14.406 29.009 19.420 1.00 20.66 H new ATOM 0 HG3 PRO A 124 15.942 28.985 19.149 1.00 20.66 H new ATOM 0 HD2 PRO A 124 14.919 29.142 21.540 1.00 15.72 H new ATOM 0 HD3 PRO A 124 16.405 29.497 21.226 1.00 15.72 H new ATOM 826 N THR A 125 12.836 33.246 19.351 1.00 20.91 N ATOM 827 CA THR A 125 11.391 33.577 19.411 1.00 33.11 C ATOM 828 C THR A 125 10.414 32.694 18.593 1.00 74.30 C ATOM 829 O THR A 125 10.031 33.010 17.458 1.00 32.24 O ATOM 830 CB THR A 125 11.148 35.082 19.323 1.00 41.91 C ATOM 831 OG1 THR A 125 11.901 35.609 18.232 1.00 40.87 O ATOM 832 CG2 THR A 125 11.532 35.796 20.608 1.00 40.65 C ATOM 0 H THR A 125 13.325 33.797 18.908 1.00 20.91 H new ATOM 0 HA THR A 125 11.128 33.302 20.303 1.00 33.11 H new ATOM 0 HB THR A 125 10.200 35.230 19.183 1.00 41.91 H new ATOM 0 HG1 THR A 125 12.085 34.991 17.694 1.00 40.87 H new ATOM 0 HG21 THR A 125 11.364 36.747 20.513 1.00 40.65 H new ATOM 0 HG22 THR A 125 11.004 35.446 21.343 1.00 40.65 H new ATOM 0 HG23 THR A 125 12.474 35.651 20.790 1.00 40.65 H new ATOM 833 N SER A 127 12.418 33.025 16.718 1.00 23.80 N ATOM 834 CA SER A 127 12.233 32.602 15.355 1.00 22.39 C ATOM 835 C SER A 127 13.292 31.585 15.056 1.00 22.52 C ATOM 836 O SER A 127 14.344 31.563 15.707 1.00 20.95 O ATOM 837 CB SER A 127 12.376 33.798 14.415 1.00 27.31 C ATOM 838 OG SER A 127 13.657 34.392 14.528 1.00 41.69 O ATOM 0 HA SER A 127 11.349 32.223 15.229 1.00 22.39 H new ATOM 0 HB2 SER A 127 12.230 33.512 13.500 1.00 27.31 H new ATOM 0 HB3 SER A 127 11.693 34.456 14.619 1.00 27.31 H new ATOM 0 HG SER A 127 13.948 34.284 15.309 1.00 41.69 H new ATOM 839 N CYS A 128 13.026 30.748 14.085 1.00 19.06 N ATOM 840 CA CYS A 128 13.991 29.756 13.640 1.00 18.33 C ATOM 841 C CYS A 128 15.058 30.454 12.816 1.00 22.41 C ATOM 842 O CYS A 128 14.762 31.443 12.143 1.00 24.66 O ATOM 843 CB CYS A 128 13.305 28.654 12.848 1.00 18.76 C ATOM 844 SG CYS A 128 12.118 27.686 13.810 1.00 22.33 S ATOM 0 H CYS A 128 12.280 30.732 13.658 1.00 19.06 H new ATOM 0 HA CYS A 128 14.408 29.333 14.407 1.00 18.33 H new ATOM 0 HB2 CYS A 128 12.847 29.050 12.090 1.00 18.76 H new ATOM 0 HB3 CYS A 128 13.981 28.057 12.490 1.00 18.76 H new ATOM 845 N ALA A 129 16.301 29.999 12.908 1.00 18.18 N ATOM 846 CA ALA A 129 17.403 30.571 12.139 1.00 18.24 C ATOM 847 C ALA A 129 17.505 29.942 10.782 1.00 23.37 C ATOM 848 O ALA A 129 17.362 28.729 10.619 1.00 24.36 O ATOM 849 CB ALA A 129 18.722 30.438 12.879 1.00 19.56 C ATOM 0 H ALA A 129 16.532 29.347 13.420 1.00 18.18 H new ATOM 0 HA ALA A 129 17.212 31.515 12.025 1.00 18.24 H new ATOM 0 HB1 ALA A 129 19.433 30.826 12.345 1.00 19.56 H new ATOM 0 HB2 ALA A 129 18.665 30.903 13.728 1.00 19.56 H new ATOM 0 HB3 ALA A 129 18.911 29.500 13.037 1.00 19.56 H new ATOM 850 N SER A 130 17.771 30.781 9.804 1.00 20.50 N ATOM 851 CA SER A 130 17.892 30.357 8.441 1.00 25.12 C ATOM 852 C SER A 130 19.238 29.681 8.229 1.00 22.71 C ATOM 853 O SER A 130 20.308 30.163 8.595 1.00 17.29 O ATOM 854 CB SER A 130 17.698 31.546 7.509 1.00 26.10 C ATOM 855 OG SER A 130 16.352 31.976 7.632 1.00 35.92 O ATOM 0 H SER A 130 17.887 31.625 9.920 1.00 20.50 H new ATOM 0 HA SER A 130 17.201 29.708 8.235 1.00 25.12 H new ATOM 0 HB2 SER A 130 18.307 32.264 7.742 1.00 26.10 H new ATOM 0 HB3 SER A 130 17.893 31.295 6.592 1.00 26.10 H new ATOM 0 HG SER A 130 16.221 32.634 7.127 1.00 35.92 H new ATOM 856 N ALA A 132 19.387 28.539 6.665 1.00 24.16 N ATOM 857 CA ALA A 132 20.661 28.393 6.004 1.00 22.74 C ATOM 858 C ALA A 132 21.428 29.701 5.899 1.00 21.45 C ATOM 859 O ALA A 132 20.868 30.781 5.606 1.00 20.07 O ATOM 860 CB ALA A 132 20.444 27.814 4.631 1.00 24.40 C ATOM 0 HA ALA A 132 21.201 27.796 6.545 1.00 22.74 H new ATOM 0 HB1 ALA A 132 21.299 27.714 4.183 1.00 24.40 H new ATOM 0 HB2 ALA A 132 20.017 26.947 4.709 1.00 24.40 H new ATOM 0 HB3 ALA A 132 19.876 28.408 4.115 1.00 24.40 H new ATOM 861 N GLY A 133 22.717 29.577 6.133 1.00 17.01 N ATOM 862 CA GLY A 133 23.651 30.673 6.017 1.00 16.45 C ATOM 863 C GLY A 133 23.941 31.444 7.286 1.00 19.04 C ATOM 864 O GLY A 133 24.973 32.114 7.355 1.00 21.92 O ATOM 0 H GLY A 133 23.083 28.835 6.369 1.00 17.01 H new ATOM 0 HA2 GLY A 133 24.489 30.324 5.675 1.00 16.45 H new ATOM 0 HA3 GLY A 133 23.311 31.294 5.354 1.00 16.45 H new ATOM 865 N THR A 134 23.045 31.374 8.286 1.00 16.31 N ATOM 866 CA THR A 134 23.262 32.090 9.547 1.00 16.25 C ATOM 867 C THR A 134 24.519 31.551 10.212 1.00 17.80 C ATOM 868 O THR A 134 24.691 30.329 10.296 1.00 16.26 O ATOM 869 CB THR A 134 22.071 31.920 10.470 1.00 23.93 C ATOM 870 OG1 THR A 134 20.908 32.431 9.826 1.00 27.96 O ATOM 871 CG2 THR A 134 22.252 32.650 11.788 1.00 20.64 C ATOM 0 H THR A 134 22.315 30.921 8.251 1.00 16.31 H new ATOM 0 HA THR A 134 23.368 33.036 9.363 1.00 16.25 H new ATOM 0 HB THR A 134 21.983 30.973 10.661 1.00 23.93 H new ATOM 0 HG1 THR A 134 20.557 31.826 9.361 1.00 27.96 H new ATOM 0 HG21 THR A 134 21.469 32.514 12.344 1.00 20.64 H new ATOM 0 HG22 THR A 134 23.036 32.305 12.244 1.00 20.64 H new ATOM 0 HG23 THR A 134 22.367 33.598 11.620 1.00 20.64 H new ATOM 872 N GLN A 135 25.374 32.446 10.681 1.00 16.27 N ATOM 873 CA GLN A 135 26.598 32.089 11.368 1.00 16.45 C ATOM 874 C GLN A 135 26.305 31.845 12.842 1.00 18.03 C ATOM 875 O GLN A 135 25.568 32.607 13.493 1.00 19.17 O ATOM 876 CB GLN A 135 27.659 33.183 11.180 1.00 19.38 C ATOM 877 CG GLN A 135 28.235 33.229 9.744 1.00 36.46 C ATOM 878 CD GLN A 135 29.162 32.081 9.363 1.00 50.80 C ATOM 879 OE1 GLN A 135 29.671 31.322 10.199 1.00 47.17 O ATOM 880 NE2 GLN A 135 29.439 31.956 8.074 1.00 40.10 N ATOM 0 H GLN A 135 25.255 33.294 10.606 1.00 16.27 H new ATOM 0 HA GLN A 135 26.953 31.271 10.987 1.00 16.45 H new ATOM 0 HB2 GLN A 135 27.269 34.045 11.394 1.00 19.38 H new ATOM 0 HB3 GLN A 135 28.383 33.036 11.809 1.00 19.38 H new ATOM 0 HG2 GLN A 135 27.495 33.246 9.117 1.00 36.46 H new ATOM 0 HG3 GLN A 135 28.719 34.063 9.634 1.00 36.46 H new ATOM 0 HE21 GLN A 135 29.079 32.489 7.503 1.00 40.10 H new ATOM 0 HE22 GLN A 135 29.979 31.342 7.808 1.00 40.10 H new ATOM 881 N CYS A 136 26.882 30.762 13.372 1.00 13.56 N ATOM 882 CA CYS A 136 26.657 30.389 14.767 1.00 13.07 C ATOM 883 C CYS A 136 27.928 30.053 15.466 1.00 13.77 C ATOM 884 O CYS A 136 28.941 29.819 14.828 1.00 14.78 O ATOM 885 CB CYS A 136 25.687 29.217 14.847 1.00 13.80 C ATOM 886 SG CYS A 136 24.134 29.496 13.961 1.00 17.15 S ATOM 0 H CYS A 136 27.405 30.233 12.940 1.00 13.56 H new ATOM 0 HA CYS A 136 26.272 31.157 15.216 1.00 13.07 H new ATOM 0 HB2 CYS A 136 26.118 28.426 14.487 1.00 13.80 H new ATOM 0 HB3 CYS A 136 25.490 29.034 15.779 1.00 13.80 H new ATOM 887 N LEU A 137 27.870 30.026 16.793 1.00 10.01 N ATOM 888 CA LEU A 137 28.986 29.634 17.633 1.00 10.10 C ATOM 889 C LEU A 137 28.650 28.312 18.314 1.00 9.33 C ATOM 890 O LEU A 137 27.643 28.220 19.041 1.00 9.62 O ATOM 891 CB LEU A 137 29.252 30.708 18.680 1.00 11.00 C ATOM 892 CG LEU A 137 30.445 30.441 19.593 1.00 13.81 C ATOM 893 CD1 LEU A 137 31.767 30.569 18.818 1.00 15.10 C ATOM 894 CD2 LEU A 137 30.438 31.396 20.789 1.00 16.77 C ATOM 0 H LEU A 137 27.165 30.240 17.236 1.00 10.01 H new ATOM 0 HA LEU A 137 29.783 29.528 17.090 1.00 10.10 H new ATOM 0 HB2 LEU A 137 29.392 31.554 18.227 1.00 11.00 H new ATOM 0 HB3 LEU A 137 28.459 30.808 19.229 1.00 11.00 H new ATOM 0 HG LEU A 137 30.370 29.532 19.924 1.00 13.81 H new ATOM 0 HD11 LEU A 137 32.511 30.396 19.416 1.00 15.10 H new ATOM 0 HD12 LEU A 137 31.780 29.926 18.092 1.00 15.10 H new ATOM 0 HD13 LEU A 137 31.845 31.466 18.457 1.00 15.10 H new ATOM 0 HD21 LEU A 137 31.203 31.210 21.356 1.00 16.77 H new ATOM 0 HD22 LEU A 137 30.485 32.312 20.472 1.00 16.77 H new ATOM 0 HD23 LEU A 137 29.621 31.272 21.298 1.00 16.77 H new ATOM 895 N ILE A 138 29.520 27.301 18.130 1.00 8.67 N ATOM 896 CA ILE A 138 29.363 25.975 18.729 1.00 7.82 C ATOM 897 C ILE A 138 30.504 25.808 19.689 1.00 10.04 C ATOM 898 O ILE A 138 31.609 26.222 19.367 1.00 10.19 O ATOM 899 CB ILE A 138 29.380 24.890 17.631 1.00 10.50 C ATOM 900 CG1 ILE A 138 28.314 25.214 16.551 1.00 11.83 C ATOM 901 CG2 ILE A 138 29.122 23.500 18.262 1.00 11.87 C ATOM 902 CD1 ILE A 138 28.393 24.367 15.297 1.00 17.65 C ATOM 0 H ILE A 138 30.226 27.375 17.645 1.00 8.67 H new ATOM 0 HA ILE A 138 28.516 25.886 19.193 1.00 7.82 H new ATOM 0 HB ILE A 138 30.251 24.876 17.205 1.00 10.50 H new ATOM 0 HG12 ILE A 138 27.433 25.106 16.943 1.00 11.83 H new ATOM 0 HG13 ILE A 138 28.400 26.147 16.301 1.00 11.83 H new ATOM 0 HG21 ILE A 138 29.134 22.822 17.568 1.00 11.87 H new ATOM 0 HG22 ILE A 138 29.814 23.307 18.914 1.00 11.87 H new ATOM 0 HG23 ILE A 138 28.256 23.499 18.700 1.00 11.87 H new ATOM 0 HD11 ILE A 138 27.694 24.636 14.680 1.00 17.65 H new ATOM 0 HD12 ILE A 138 29.259 24.490 14.877 1.00 17.65 H new ATOM 0 HD13 ILE A 138 28.277 23.433 15.530 1.00 17.65 H new ATOM 903 N SER A 139 30.261 25.275 20.886 1.00 9.19 N ATOM 904 CA SER A 139 31.339 25.201 21.857 1.00 8.28 C ATOM 905 C SER A 139 31.284 23.916 22.657 1.00 8.51 C ATOM 906 O SER A 139 30.209 23.322 22.780 1.00 8.65 O ATOM 907 CB SER A 139 31.293 26.416 22.783 1.00 10.48 C ATOM 908 OG SER A 139 29.974 26.639 23.257 1.00 11.19 O ATOM 0 H SER A 139 29.504 24.961 21.146 1.00 9.19 H new ATOM 0 HA SER A 139 32.180 25.204 21.373 1.00 8.28 H new ATOM 0 HB2 SER A 139 31.892 26.279 23.534 1.00 10.48 H new ATOM 0 HB3 SER A 139 31.608 27.201 22.309 1.00 10.48 H new ATOM 0 HG SER A 139 29.833 26.157 23.930 1.00 11.19 H new ATOM 909 N GLY A 140 32.427 23.494 23.194 1.00 8.57 N ATOM 910 CA GLY A 140 32.430 22.312 24.032 1.00 8.72 C ATOM 911 C GLY A 140 33.810 21.848 24.390 1.00 9.61 C ATOM 912 O GLY A 140 34.813 22.380 23.896 1.00 9.23 O ATOM 0 H GLY A 140 33.192 23.872 23.086 1.00 8.57 H new ATOM 0 HA2 GLY A 140 31.936 22.498 24.846 1.00 8.72 H new ATOM 0 HA3 GLY A 140 31.963 21.596 23.574 1.00 8.72 H new ATOM 913 N TRP A 141 33.825 20.796 25.219 1.00 8.52 N ATOM 914 CA TRP A 141 35.046 20.160 25.679 1.00 8.09 C ATOM 915 C TRP A 141 35.278 18.798 25.004 1.00 9.87 C ATOM 916 O TRP A 141 35.962 17.927 25.568 1.00 12.42 O ATOM 917 CB TRP A 141 35.042 19.993 27.213 1.00 8.07 C ATOM 918 CG TRP A 141 35.159 21.279 27.952 1.00 8.13 C ATOM 919 CD1 TRP A 141 36.324 21.928 28.281 1.00 10.77 C ATOM 920 CD2 TRP A 141 34.095 22.071 28.484 1.00 7.87 C ATOM 921 NE1 TRP A 141 36.044 23.051 29.021 1.00 10.25 N ATOM 922 CE2 TRP A 141 34.683 23.165 29.165 1.00 10.22 C ATOM 923 CE3 TRP A 141 32.690 21.935 28.513 1.00 8.64 C ATOM 924 CZ2 TRP A 141 33.919 24.111 29.863 1.00 9.43 C ATOM 925 CZ3 TRP A 141 31.946 22.861 29.226 1.00 9.01 C ATOM 926 CH2 TRP A 141 32.558 23.950 29.866 1.00 9.66 C ATOM 0 H TRP A 141 33.110 20.433 25.529 1.00 8.52 H new ATOM 0 HA TRP A 141 35.777 20.746 25.428 1.00 8.09 H new ATOM 0 HB2 TRP A 141 34.222 19.548 27.480 1.00 8.07 H new ATOM 0 HB3 TRP A 141 35.776 19.413 27.470 1.00 8.07 H new ATOM 0 HD1 TRP A 141 37.177 21.648 28.038 1.00 10.77 H new ATOM 0 HE1 TRP A 141 36.627 23.595 29.342 1.00 10.25 H new ATOM 0 HE3 TRP A 141 32.272 21.237 28.062 1.00 8.64 H new ATOM 0 HZ2 TRP A 141 34.321 24.822 30.308 1.00 9.43 H new ATOM 0 HZ3 TRP A 141 31.023 22.759 29.282 1.00 9.01 H new ATOM 0 HH2 TRP A 141 32.028 24.577 30.302 1.00 9.66 H new ATOM 927 N GLY A 142 34.700 18.598 23.843 1.00 9.22 N ATOM 928 CA GLY A 142 34.842 17.331 23.141 1.00 10.73 C ATOM 929 C GLY A 142 36.180 17.139 22.462 1.00 12.11 C ATOM 930 O GLY A 142 37.041 18.022 22.475 1.00 11.68 O ATOM 0 H GLY A 142 34.217 19.182 23.436 1.00 9.22 H new ATOM 0 HA2 GLY A 142 34.705 16.607 23.772 1.00 10.73 H new ATOM 0 HA3 GLY A 142 34.141 17.263 22.474 1.00 10.73 H new ATOM 931 N ASN A 143 36.327 15.980 21.848 1.00 10.88 N ATOM 932 CA ASN A 143 37.532 15.573 21.142 1.00 11.55 C ATOM 933 C ASN A 143 37.912 16.621 20.093 1.00 12.54 C ATOM 934 O ASN A 143 37.038 17.190 19.407 1.00 12.40 O ATOM 935 CB ASN A 143 37.276 14.198 20.504 1.00 12.30 C ATOM 936 CG ASN A 143 38.499 13.469 19.973 1.00 21.92 C ATOM 937 OD1 ASN A 143 39.621 13.976 19.944 1.00 18.72 O ATOM 938 ND2 ASN A 143 38.291 12.250 19.514 1.00 24.86 N ATOM 0 H ASN A 143 35.707 15.385 21.828 1.00 10.88 H new ATOM 0 HA ASN A 143 38.279 15.503 21.757 1.00 11.55 H new ATOM 0 HB2 ASN A 143 36.845 13.631 21.163 1.00 12.30 H new ATOM 0 HB3 ASN A 143 36.648 14.312 19.774 1.00 12.30 H new ATOM 0 HD21 ASN A 143 38.945 11.796 19.188 1.00 24.86 H new ATOM 0 HD22 ASN A 143 37.502 11.909 19.541 1.00 24.86 H new ATOM 939 N THR A 144 39.231 16.911 20.010 1.00 12.39 N ATOM 940 CA THR A 144 39.756 17.878 19.050 1.00 11.97 C ATOM 941 C THR A 144 40.379 17.229 17.814 1.00 16.41 C ATOM 942 O THR A 144 40.841 17.954 16.923 1.00 16.05 O ATOM 943 CB THR A 144 40.724 18.859 19.703 1.00 16.14 C ATOM 944 OG1 THR A 144 41.851 18.109 20.183 1.00 16.78 O ATOM 945 CG2 THR A 144 40.073 19.665 20.838 1.00 14.84 C ATOM 0 H THR A 144 39.831 16.550 20.509 1.00 12.39 H new ATOM 0 HA THR A 144 38.986 18.378 18.737 1.00 11.97 H new ATOM 0 HB THR A 144 41.004 19.514 19.044 1.00 16.14 H new ATOM 0 HG1 THR A 144 42.536 18.323 19.747 1.00 16.78 H new ATOM 0 HG21 THR A 144 40.726 20.272 21.220 1.00 14.84 H new ATOM 0 HG22 THR A 144 39.326 20.174 20.486 1.00 14.84 H new ATOM 0 HG23 THR A 144 39.756 19.058 21.525 1.00 14.84 H new ATOM 946 N LYS A 145 40.384 15.889 17.749 1.00 16.47 N ATOM 947 CA LYS A 145 40.917 15.193 16.563 1.00 18.36 C ATOM 948 C LYS A 145 39.829 14.424 15.827 1.00 24.69 C ATOM 949 O LYS A 145 38.931 13.882 16.460 1.00 24.74 O ATOM 950 CB LYS A 145 42.054 14.244 16.961 1.00 22.91 C ATOM 951 CG LYS A 145 43.148 14.873 17.823 1.00 39.41 C ATOM 952 CD LYS A 145 44.201 15.626 17.018 1.00 52.42 C ATOM 953 CE LYS A 145 45.608 15.266 17.441 1.00 61.79 C ATOM 954 NZ LYS A 145 45.885 15.606 18.865 1.00 68.72 N ATOM 0 H LYS A 145 40.089 15.371 18.369 1.00 16.47 H new ATOM 0 HA LYS A 145 41.264 15.870 15.961 1.00 18.36 H new ATOM 0 HB2 LYS A 145 41.676 13.491 17.441 1.00 22.91 H new ATOM 0 HB3 LYS A 145 42.460 13.891 16.154 1.00 22.91 H new ATOM 0 HG2 LYS A 145 42.739 15.483 18.457 1.00 39.41 H new ATOM 0 HG3 LYS A 145 43.583 14.177 18.339 1.00 39.41 H new ATOM 0 HD2 LYS A 145 44.088 15.428 16.075 1.00 52.42 H new ATOM 0 HD3 LYS A 145 44.067 16.581 17.126 1.00 52.42 H new ATOM 0 HE2 LYS A 145 45.749 14.316 17.306 1.00 61.79 H new ATOM 0 HE3 LYS A 145 46.242 15.731 16.872 1.00 61.79 H new ATOM 0 HZ1 LYS A 145 46.735 15.854 18.951 1.00 68.72 H new ATOM 0 HZ2 LYS A 145 45.355 16.274 19.120 1.00 68.72 H new ATOM 0 HZ3 LYS A 145 45.731 14.894 19.376 1.00 68.72 H new ATOM 955 N SER A 146 39.919 14.364 14.489 1.00 25.79 N ATOM 956 CA SER A 146 38.961 13.636 13.638 1.00 27.69 C ATOM 957 C SER A 146 39.363 12.166 13.513 1.00 34.52 C ATOM 958 O SER A 146 38.511 11.283 13.349 1.00 34.43 O ATOM 959 CB SER A 146 38.839 14.306 12.272 1.00 32.12 C ATOM 960 OG SER A 146 40.076 14.803 11.791 1.00 42.63 O ATOM 0 H SER A 146 40.546 14.750 14.045 1.00 25.79 H new ATOM 0 HA SER A 146 38.087 13.666 14.057 1.00 27.69 H new ATOM 0 HB2 SER A 146 38.482 13.668 11.634 1.00 32.12 H new ATOM 0 HB3 SER A 146 38.203 15.036 12.330 1.00 32.12 H new ATOM 0 HG SER A 146 40.204 15.576 12.093 1.00 42.63 H new ATOM 961 N SER A 147 40.672 11.921 13.602 1.00 32.52 N ATOM 962 CA SER A 147 41.319 10.614 13.635 1.00 33.90 C ATOM 963 C SER A 147 42.218 10.706 14.852 1.00 39.08 C ATOM 964 O SER A 147 43.036 11.627 14.968 1.00 39.70 O ATOM 965 CB SER A 147 42.140 10.363 12.374 1.00 39.00 C ATOM 966 OG SER A 147 41.299 10.000 11.292 1.00 51.04 O ATOM 0 H SER A 147 41.243 12.562 13.648 1.00 32.52 H new ATOM 0 HA SER A 147 40.684 9.882 13.678 1.00 33.90 H new ATOM 0 HB2 SER A 147 42.642 11.161 12.146 1.00 39.00 H new ATOM 0 HB3 SER A 147 42.786 9.658 12.538 1.00 39.00 H new ATOM 0 HG SER A 147 41.766 9.867 10.606 1.00 51.04 H new ATOM 967 N GLY A 148 42.006 9.808 15.788 1.00 34.91 N ATOM 968 CA GLY A 148 42.758 9.845 17.025 1.00 34.15 C ATOM 969 C GLY A 148 41.908 10.474 18.104 1.00 35.56 C ATOM 970 O GLY A 148 40.722 10.769 17.896 1.00 34.85 O ATOM 0 H GLY A 148 41.433 9.169 15.730 1.00 34.91 H new ATOM 0 HA2 GLY A 148 43.018 8.947 17.285 1.00 34.15 H new ATOM 0 HA3 GLY A 148 43.575 10.353 16.904 1.00 34.15 H new ATOM 971 N THR A 149 42.499 10.650 19.276 1.00 30.46 N ATOM 972 CA THR A 149 41.744 11.137 20.420 1.00 28.66 C ATOM 973 C THR A 149 42.572 12.084 21.258 1.00 27.35 C ATOM 974 O THR A 149 43.667 11.730 21.699 1.00 27.02 O ATOM 975 CB THR A 149 41.206 9.897 21.180 1.00 41.38 C ATOM 976 OG1 THR A 149 40.143 9.315 20.427 1.00 46.21 O ATOM 977 CG2 THR A 149 40.719 10.198 22.549 1.00 39.53 C ATOM 0 H THR A 149 43.331 10.495 19.430 1.00 30.46 H new ATOM 0 HA THR A 149 40.983 11.674 20.147 1.00 28.66 H new ATOM 0 HB THR A 149 41.953 9.286 21.278 1.00 41.38 H new ATOM 0 HG1 THR A 149 39.848 8.641 20.833 1.00 46.21 H new ATOM 0 HG21 THR A 149 40.398 9.383 22.965 1.00 39.53 H new ATOM 0 HG22 THR A 149 41.444 10.566 23.077 1.00 39.53 H new ATOM 0 HG23 THR A 149 39.995 10.842 22.501 1.00 39.53 H new ATOM 978 N SER A 150 42.035 13.300 21.488 1.00 20.37 N ATOM 979 CA SER A 150 42.636 14.299 22.347 1.00 19.24 C ATOM 980 C SER A 150 41.543 15.166 22.920 1.00 19.45 C ATOM 981 O SER A 150 40.780 15.814 22.179 1.00 18.38 O ATOM 982 CB SER A 150 43.637 15.172 21.611 1.00 21.49 C ATOM 983 OG SER A 150 44.354 15.899 22.598 1.00 27.68 O ATOM 0 H SER A 150 41.295 13.557 21.133 1.00 20.37 H new ATOM 0 HA SER A 150 43.119 13.836 23.049 1.00 19.24 H new ATOM 0 HB2 SER A 150 44.240 14.630 21.078 1.00 21.49 H new ATOM 0 HB3 SER A 150 43.184 15.775 21.001 1.00 21.49 H new ATOM 0 HG SER A 150 43.976 16.637 22.732 1.00 27.68 H new ATOM 984 N TYR A 151 41.426 15.127 24.237 1.00 15.97 N ATOM 985 CA TYR A 151 40.396 15.849 24.941 1.00 15.79 C ATOM 986 C TYR A 151 40.990 17.045 25.584 1.00 19.32 C ATOM 987 O TYR A 151 41.947 16.921 26.365 1.00 22.17 O ATOM 988 CB TYR A 151 39.697 14.948 25.940 1.00 17.12 C ATOM 989 CG TYR A 151 38.827 13.947 25.235 1.00 19.29 C ATOM 990 CD1 TYR A 151 39.339 12.727 24.808 1.00 21.25 C ATOM 991 CD2 TYR A 151 37.509 14.248 24.908 1.00 20.08 C ATOM 992 CE1 TYR A 151 38.547 11.815 24.122 1.00 23.61 C ATOM 993 CE2 TYR A 151 36.718 13.351 24.206 1.00 21.39 C ATOM 994 CZ TYR A 151 37.235 12.131 23.826 1.00 26.96 C ATOM 995 OH TYR A 151 36.457 11.240 23.143 1.00 31.31 O ATOM 0 H TYR A 151 41.950 14.675 24.748 1.00 15.97 H new ATOM 0 HA TYR A 151 39.718 16.148 24.315 1.00 15.79 H new ATOM 0 HB2 TYR A 151 40.356 14.486 26.482 1.00 17.12 H new ATOM 0 HB3 TYR A 151 39.158 15.483 26.543 1.00 17.12 H new ATOM 0 HD1 TYR A 151 40.228 12.518 24.985 1.00 21.25 H new ATOM 0 HD2 TYR A 151 37.151 15.067 25.165 1.00 20.08 H new ATOM 0 HE1 TYR A 151 38.899 10.994 23.863 1.00 23.61 H new ATOM 0 HE2 TYR A 151 35.840 13.572 23.992 1.00 21.39 H new ATOM 0 HH TYR A 151 35.689 11.563 23.036 1.00 31.31 H new ATOM 996 N PRO A 152 40.468 18.235 25.236 1.00 15.78 N ATOM 997 CA PRO A 152 41.021 19.454 25.786 1.00 15.27 C ATOM 998 C PRO A 152 40.511 19.664 27.189 1.00 17.57 C ATOM 999 O PRO A 152 39.478 19.133 27.608 1.00 22.71 O ATOM 1000 CB PRO A 152 40.473 20.538 24.842 1.00 17.38 C ATOM 1001 CG PRO A 152 39.112 20.035 24.508 1.00 19.33 C ATOM 1002 CD PRO A 152 39.336 18.534 24.329 1.00 15.44 C ATOM 0 HA PRO A 152 41.989 19.453 25.843 1.00 15.27 H new ATOM 0 HB2 PRO A 152 40.439 21.406 25.273 1.00 17.38 H new ATOM 0 HB3 PRO A 152 41.024 20.636 24.050 1.00 17.38 H new ATOM 0 HG2 PRO A 152 38.476 20.221 25.216 1.00 19.33 H new ATOM 0 HG3 PRO A 152 38.765 20.445 23.700 1.00 19.33 H new ATOM 0 HD2 PRO A 152 38.545 18.025 24.567 1.00 15.44 H new ATOM 0 HD3 PRO A 152 39.549 18.313 23.409 1.00 15.44 H new ATOM 1003 N AASP A 153 41.235 20.450 27.917 0.50 16.01 N ATOM 1004 N BASP A 153 41.235 20.450 27.917 0.50 16.01 N ATOM 1005 CA ASP A 153 40.813 20.786 29.260 1.00 15.06 C ATOM 1006 C ASP A 153 40.041 22.096 29.208 1.00 13.74 C ATOM 1007 O ASP A 153 39.140 22.302 30.011 1.00 11.49 O ATOM 1008 CB ASP A 153 42.033 20.905 30.177 1.00 17.59 C ATOM 1009 CG ASP A 153 42.862 19.630 30.205 1.00 28.48 C ATOM 1010 OD1 ASP A 153 42.386 18.636 30.759 1.00 23.72 O ATOM 1011 OD2 ASP A 153 44.027 19.660 29.730 1.00 34.37 O ATOM 0 H AASP A 153 41.976 20.807 27.666 0.50 16.01 H new ATOM 0 H BASP A 153 41.976 20.807 27.666 0.50 16.01 H new ATOM 0 HA AASP A 153 40.240 20.090 29.618 0.50 15.06 H new ATOM 0 HA BASP A 153 40.240 20.090 29.618 0.50 15.06 H new ATOM 0 HB2 ASP A 153 42.588 21.643 29.879 1.00 17.59 H new ATOM 0 HB3 ASP A 153 41.739 21.117 31.077 1.00 17.59 H new ATOM 1012 N VAL A 154 40.394 23.006 28.265 1.00 11.93 N ATOM 1013 CA VAL A 154 39.721 24.298 28.176 1.00 10.50 C ATOM 1014 C VAL A 154 38.656 24.273 27.090 1.00 9.71 C ATOM 1015 O VAL A 154 38.667 23.447 26.170 1.00 10.64 O ATOM 1016 CB VAL A 154 40.720 25.465 27.958 1.00 14.31 C ATOM 1017 CG1 VAL A 154 41.737 25.547 29.109 1.00 15.01 C ATOM 1018 CG2 VAL A 154 41.431 25.348 26.610 1.00 14.80 C ATOM 0 H VAL A 154 41.014 22.883 27.682 1.00 11.93 H new ATOM 0 HA VAL A 154 39.286 24.459 29.028 1.00 10.50 H new ATOM 0 HB VAL A 154 40.208 26.289 27.951 1.00 14.31 H new ATOM 0 HG11 VAL A 154 42.349 26.283 28.949 1.00 15.01 H new ATOM 0 HG12 VAL A 154 41.268 25.693 29.946 1.00 15.01 H new ATOM 0 HG13 VAL A 154 42.237 24.717 29.159 1.00 15.01 H new ATOM 0 HG21 VAL A 154 42.047 26.090 26.503 1.00 14.80 H new ATOM 0 HG22 VAL A 154 41.922 24.512 26.575 1.00 14.80 H new ATOM 0 HG23 VAL A 154 40.775 25.368 25.895 1.00 14.80 H new ATOM 1019 N LEU A 155 37.749 25.230 27.195 1.00 9.16 N ATOM 1020 CA LEU A 155 36.623 25.280 26.278 1.00 9.04 C ATOM 1021 C LEU A 155 37.053 25.655 24.873 1.00 9.70 C ATOM 1022 O LEU A 155 37.849 26.587 24.685 1.00 9.57 O ATOM 1023 CB LEU A 155 35.553 26.243 26.809 1.00 9.63 C ATOM 1024 CG LEU A 155 34.243 26.240 26.047 1.00 9.41 C ATOM 1025 CD1 LEU A 155 33.476 24.923 26.195 1.00 9.25 C ATOM 1026 CD2 LEU A 155 33.335 27.380 26.526 1.00 11.41 C ATOM 0 H LEU A 155 37.765 25.856 27.785 1.00 9.16 H new ATOM 0 HA LEU A 155 36.241 24.390 26.224 1.00 9.04 H new ATOM 0 HB2 LEU A 155 35.371 26.022 27.736 1.00 9.63 H new ATOM 0 HB3 LEU A 155 35.915 27.143 26.798 1.00 9.63 H new ATOM 0 HG LEU A 155 34.477 26.358 25.113 1.00 9.41 H new ATOM 0 HD11 LEU A 155 32.649 24.972 25.691 1.00 9.25 H new ATOM 0 HD12 LEU A 155 34.018 24.193 25.857 1.00 9.25 H new ATOM 0 HD13 LEU A 155 33.275 24.769 27.131 1.00 9.25 H new ATOM 0 HD21 LEU A 155 32.503 27.362 26.028 1.00 11.41 H new ATOM 0 HD22 LEU A 155 33.148 27.270 27.471 1.00 11.41 H new ATOM 0 HD23 LEU A 155 33.779 28.230 26.382 1.00 11.41 H new ATOM 1027 N LYS A 156 36.560 24.910 23.881 1.00 9.16 N ATOM 1028 CA LYS A 156 36.833 25.186 22.468 1.00 8.15 C ATOM 1029 C LYS A 156 35.594 25.690 21.799 1.00 10.67 C ATOM 1030 O LYS A 156 34.479 25.374 22.220 1.00 9.36 O ATOM 1031 CB LYS A 156 37.361 23.943 21.752 1.00 9.42 C ATOM 1032 CG LYS A 156 38.664 23.370 22.312 1.00 12.22 C ATOM 1033 CD LYS A 156 39.849 24.259 22.061 1.00 17.33 C ATOM 1034 CE LYS A 156 41.126 23.688 22.634 1.00 23.99 C ATOM 1035 NZ LYS A 156 42.281 24.545 22.244 1.00 28.62 N ATOM 0 H LYS A 156 36.055 24.226 24.010 1.00 9.16 H new ATOM 0 HA LYS A 156 37.520 25.869 22.418 1.00 8.15 H new ATOM 0 HB2 LYS A 156 36.680 23.253 21.788 1.00 9.42 H new ATOM 0 HB3 LYS A 156 37.496 24.160 20.816 1.00 9.42 H new ATOM 0 HG2 LYS A 156 38.567 23.231 23.267 1.00 12.22 H new ATOM 0 HG3 LYS A 156 38.827 22.501 21.914 1.00 12.22 H new ATOM 0 HD2 LYS A 156 39.956 24.390 21.106 1.00 17.33 H new ATOM 0 HD3 LYS A 156 39.684 25.132 22.450 1.00 17.33 H new ATOM 0 HE2 LYS A 156 41.062 23.637 23.601 1.00 23.99 H new ATOM 0 HE3 LYS A 156 41.260 22.783 22.310 1.00 23.99 H new ATOM 0 HZ1 LYS A 156 43.022 24.239 22.631 1.00 28.62 H new ATOM 0 HZ2 LYS A 156 42.379 24.527 21.360 1.00 28.62 H new ATOM 0 HZ3 LYS A 156 42.133 25.382 22.509 1.00 28.62 H new ATOM 1036 N CYS A 157 35.796 26.494 20.759 1.00 10.34 N ATOM 1037 CA CYS A 157 34.752 27.207 20.038 1.00 10.21 C ATOM 1038 C CYS A 157 34.921 26.987 18.553 1.00 9.70 C ATOM 1039 O CYS A 157 36.062 26.833 18.100 1.00 10.50 O ATOM 1040 CB CYS A 157 34.874 28.704 20.345 1.00 12.38 C ATOM 1041 SG CYS A 157 34.037 29.231 21.846 1.00 14.97 S ATOM 0 H CYS A 157 36.581 26.644 20.442 1.00 10.34 H new ATOM 0 HA CYS A 157 33.881 26.880 20.313 1.00 10.21 H new ATOM 0 HB2 CYS A 157 35.814 28.932 20.416 1.00 12.38 H new ATOM 0 HB3 CYS A 157 34.516 29.206 19.596 1.00 12.38 H new ATOM 1042 N LEU A 158 33.823 27.093 17.810 1.00 9.76 N ATOM 1043 CA LEU A 158 33.862 26.985 16.353 1.00 9.52 C ATOM 1044 C LEU A 158 32.771 27.865 15.822 1.00 11.16 C ATOM 1045 O LEU A 158 31.620 27.731 16.236 1.00 11.38 O ATOM 1046 CB LEU A 158 33.627 25.527 15.903 1.00 10.73 C ATOM 1047 CG LEU A 158 33.533 25.309 14.381 1.00 14.03 C ATOM 1048 CD1 LEU A 158 34.868 25.576 13.697 1.00 15.41 C ATOM 1049 CD2 LEU A 158 33.030 23.897 14.060 1.00 17.02 C ATOM 0 H LEU A 158 33.038 27.229 18.133 1.00 9.76 H new ATOM 0 HA LEU A 158 34.730 27.256 16.017 1.00 9.52 H new ATOM 0 HB2 LEU A 158 34.348 24.978 16.249 1.00 10.73 H new ATOM 0 HB3 LEU A 158 32.807 25.207 16.311 1.00 10.73 H new ATOM 0 HG LEU A 158 32.890 25.947 14.033 1.00 14.03 H new ATOM 0 HD11 LEU A 158 34.777 25.431 12.742 1.00 15.41 H new ATOM 0 HD12 LEU A 158 35.138 26.493 13.860 1.00 15.41 H new ATOM 0 HD13 LEU A 158 35.540 24.974 14.053 1.00 15.41 H new ATOM 0 HD21 LEU A 158 32.979 23.782 13.098 1.00 17.02 H new ATOM 0 HD22 LEU A 158 33.643 23.243 14.431 1.00 17.02 H new ATOM 0 HD23 LEU A 158 32.150 23.771 14.447 1.00 17.02 H new ATOM 1050 N LYS A 159 33.108 28.729 14.851 1.00 9.30 N ATOM 1051 CA LYS A 159 32.120 29.501 14.143 1.00 9.97 C ATOM 1052 C LYS A 159 31.745 28.695 12.915 1.00 12.35 C ATOM 1053 O LYS A 159 32.634 28.262 12.162 1.00 13.79 O ATOM 1054 CB LYS A 159 32.653 30.904 13.797 1.00 12.67 C ATOM 1055 CG LYS A 159 32.801 31.723 15.087 1.00 12.32 C ATOM 1056 CD LYS A 159 33.368 33.091 14.776 1.00 13.31 C ATOM 1057 CE LYS A 159 33.543 33.854 16.074 1.00 18.37 C ATOM 1058 NZ LYS A 159 33.785 35.310 15.823 1.00 21.85 N ATOM 0 H LYS A 159 33.917 28.872 14.597 1.00 9.30 H new ATOM 0 HA LYS A 159 31.333 29.658 14.688 1.00 9.97 H new ATOM 0 HB2 LYS A 159 33.509 30.834 13.346 1.00 12.67 H new ATOM 0 HB3 LYS A 159 32.046 31.350 13.186 1.00 12.67 H new ATOM 0 HG2 LYS A 159 31.938 31.814 15.521 1.00 12.32 H new ATOM 0 HG3 LYS A 159 33.383 31.258 15.708 1.00 12.32 H new ATOM 0 HD2 LYS A 159 34.219 33.006 14.319 1.00 13.31 H new ATOM 0 HD3 LYS A 159 32.774 33.573 14.180 1.00 13.31 H new ATOM 0 HE2 LYS A 159 32.751 33.746 16.624 1.00 18.37 H new ATOM 0 HE3 LYS A 159 34.287 33.482 16.572 1.00 18.37 H new ATOM 0 HZ1 LYS A 159 33.884 35.733 16.600 1.00 21.85 H new ATOM 0 HZ2 LYS A 159 34.523 35.409 15.336 1.00 21.85 H new ATOM 0 HZ3 LYS A 159 33.092 35.655 15.384 1.00 21.85 H new ATOM 1059 N ALA A 160 30.454 28.455 12.712 1.00 12.30 N ATOM 1060 CA ALA A 160 30.011 27.628 11.599 1.00 13.67 C ATOM 1061 C ALA A 160 28.653 28.088 11.114 1.00 14.90 C ATOM 1062 O ALA A 160 27.798 28.467 11.915 1.00 14.66 O ATOM 1063 CB ALA A 160 29.914 26.175 12.065 1.00 15.86 C ATOM 0 H ALA A 160 29.821 28.761 13.207 1.00 12.30 H new ATOM 0 HA ALA A 160 30.648 27.704 10.872 1.00 13.67 H new ATOM 0 HB1 ALA A 160 29.619 25.618 11.328 1.00 15.86 H new ATOM 0 HB2 ALA A 160 30.784 25.874 12.370 1.00 15.86 H new ATOM 0 HB3 ALA A 160 29.277 26.110 12.794 1.00 15.86 H new ATOM 1064 N PRO A 161 28.393 27.934 9.806 1.00 12.59 N ATOM 1065 CA PRO A 161 27.092 28.334 9.275 1.00 13.07 C ATOM 1066 C PRO A 161 26.091 27.208 9.297 1.00 13.32 C ATOM 1067 O PRO A 161 26.463 26.037 9.184 1.00 13.14 O ATOM 1068 CB PRO A 161 27.406 28.705 7.831 1.00 14.68 C ATOM 1069 CG PRO A 161 28.519 27.779 7.459 1.00 17.98 C ATOM 1070 CD PRO A 161 29.321 27.521 8.736 1.00 14.68 C ATOM 0 HA PRO A 161 26.695 29.048 9.798 1.00 13.07 H new ATOM 0 HB2 PRO A 161 26.634 28.583 7.256 1.00 14.68 H new ATOM 0 HB3 PRO A 161 27.674 29.634 7.752 1.00 14.68 H new ATOM 0 HG2 PRO A 161 28.170 26.949 7.098 1.00 17.98 H new ATOM 0 HG3 PRO A 161 29.081 28.173 6.773 1.00 17.98 H new ATOM 0 HD2 PRO A 161 29.571 26.588 8.819 1.00 14.68 H new ATOM 0 HD3 PRO A 161 30.142 28.038 8.754 1.00 14.68 H new ATOM 1071 N ILE A 162 24.813 27.562 9.405 1.00 12.51 N ATOM 1072 CA ILE A 162 23.734 26.621 9.257 1.00 11.02 C ATOM 1073 C ILE A 162 23.665 26.247 7.786 1.00 13.51 C ATOM 1074 O ILE A 162 23.755 27.140 6.923 1.00 14.38 O ATOM 1075 CB ILE A 162 22.408 27.215 9.754 1.00 13.25 C ATOM 1076 CG1 ILE A 162 22.495 27.452 11.272 1.00 13.55 C ATOM 1077 CG2 ILE A 162 21.236 26.302 9.373 1.00 14.02 C ATOM 1078 CD1 ILE A 162 21.234 28.046 11.918 1.00 20.50 C ATOM 0 H ILE A 162 24.556 28.366 9.568 1.00 12.51 H new ATOM 0 HA ILE A 162 23.892 25.830 9.796 1.00 11.02 H new ATOM 0 HB ILE A 162 22.247 28.070 9.326 1.00 13.25 H new ATOM 0 HG12 ILE A 162 22.695 26.607 11.705 1.00 13.55 H new ATOM 0 HG13 ILE A 162 23.241 28.046 11.449 1.00 13.55 H new ATOM 0 HG21 ILE A 162 20.406 26.690 9.693 1.00 14.02 H new ATOM 0 HG22 ILE A 162 21.198 26.209 8.408 1.00 14.02 H new ATOM 0 HG23 ILE A 162 21.361 25.429 9.777 1.00 14.02 H new ATOM 0 HD11 ILE A 162 21.381 28.160 12.870 1.00 20.50 H new ATOM 0 HD12 ILE A 162 21.039 28.907 11.516 1.00 20.50 H new ATOM 0 HD13 ILE A 162 20.485 27.447 11.776 1.00 20.50 H new ATOM 1079 N LEU A 163 23.524 24.955 7.496 1.00 11.61 N ATOM 1080 CA LEU A 163 23.432 24.485 6.128 1.00 12.09 C ATOM 1081 C LEU A 163 21.973 24.360 5.714 1.00 14.86 C ATOM 1082 O LEU A 163 21.056 24.218 6.561 1.00 15.62 O ATOM 1083 CB LEU A 163 24.202 23.149 5.995 1.00 12.78 C ATOM 1084 CG LEU A 163 25.706 23.218 6.328 1.00 16.05 C ATOM 1085 CD1 LEU A 163 26.332 21.844 6.328 1.00 17.96 C ATOM 1086 CD2 LEU A 163 26.477 24.101 5.359 1.00 19.14 C ATOM 0 H LEU A 163 23.480 24.333 8.088 1.00 11.61 H new ATOM 0 HA LEU A 163 23.842 25.125 5.525 1.00 12.09 H new ATOM 0 HB2 LEU A 163 23.787 22.494 6.578 1.00 12.78 H new ATOM 0 HB3 LEU A 163 24.102 22.824 5.087 1.00 12.78 H new ATOM 0 HG LEU A 163 25.762 23.607 7.215 1.00 16.05 H new ATOM 0 HD11 LEU A 163 27.276 21.918 6.540 1.00 17.96 H new ATOM 0 HD12 LEU A 163 25.894 21.289 6.992 1.00 17.96 H new ATOM 0 HD13 LEU A 163 26.229 21.441 5.452 1.00 17.96 H new ATOM 0 HD21 LEU A 163 27.414 24.113 5.608 1.00 19.14 H new ATOM 0 HD22 LEU A 163 26.386 23.750 4.459 1.00 19.14 H new ATOM 0 HD23 LEU A 163 26.123 25.003 5.391 1.00 19.14 H new ATOM 1087 N SER A 164 21.735 24.420 4.386 1.00 15.29 N ATOM 1088 CA SER A 164 20.389 24.267 3.879 1.00 14.19 C ATOM 1089 C SER A 164 19.844 22.889 4.227 1.00 16.00 C ATOM 1090 O SER A 164 20.604 21.917 4.321 1.00 15.70 O ATOM 1091 CB SER A 164 20.369 24.455 2.366 1.00 17.27 C ATOM 1092 OG SER A 164 21.100 23.409 1.752 1.00 18.47 O ATOM 0 H SER A 164 22.338 24.547 3.786 1.00 15.29 H new ATOM 0 HA SER A 164 19.830 24.943 4.292 1.00 14.19 H new ATOM 0 HB2 SER A 164 19.455 24.457 2.042 1.00 17.27 H new ATOM 0 HB3 SER A 164 20.755 25.314 2.132 1.00 17.27 H new ATOM 0 HG SER A 164 20.998 23.447 0.919 1.00 18.47 H new ATOM 1093 N ASP A 165 18.530 22.820 4.434 1.00 16.92 N ATOM 1094 CA ASP A 165 17.854 21.561 4.709 1.00 17.23 C ATOM 1095 C ASP A 165 18.128 20.575 3.579 1.00 20.27 C ATOM 1096 O ASP A 165 18.335 19.398 3.861 1.00 17.95 O ATOM 1097 CB ASP A 165 16.353 21.789 4.888 1.00 20.37 C ATOM 1098 CG ASP A 165 15.588 20.528 5.242 1.00 35.01 C ATOM 1099 OD1 ASP A 165 15.946 19.873 6.262 1.00 34.04 O ATOM 1100 OD2 ASP A 165 14.647 20.181 4.497 1.00 38.73 O ATOM 0 H ASP A 165 18.008 23.503 4.418 1.00 16.92 H new ATOM 0 HA ASP A 165 18.197 21.187 5.536 1.00 17.23 H new ATOM 0 HB2 ASP A 165 16.214 22.449 5.585 1.00 20.37 H new ATOM 0 HB3 ASP A 165 15.989 22.160 4.069 1.00 20.37 H new ATOM 1101 N SER A 166 18.171 21.048 2.310 1.00 17.22 N ATOM 1102 CA ASER A 166 18.425 20.150 1.191 0.50 16.91 C ATOM 1103 CA BSER A 166 18.441 20.198 1.151 0.50 17.10 C ATOM 1104 C SER A 166 19.829 19.556 1.246 1.00 19.25 C ATOM 1105 O SER A 166 19.962 18.349 1.015 1.00 17.74 O ATOM 1106 CB ASER A 166 18.143 20.827 -0.150 0.50 20.27 C ATOM 1107 CB BSER A 166 18.309 21.004 -0.143 0.50 20.36 C ATOM 1108 OG ASER A 166 18.903 22.010 -0.326 0.50 27.64 O ATOM 1109 OG BSER A 166 18.765 20.283 -1.275 0.50 27.46 O ATOM 0 H ASER A 166 18.056 21.872 2.094 0.50 17.22 H new ATOM 0 H BSER A 166 18.042 21.875 2.111 0.50 17.22 H new ATOM 0 HA ASER A 166 17.804 19.409 1.272 0.50 17.10 H new ATOM 0 HA BSER A 166 17.784 19.485 1.142 0.50 17.10 H new ATOM 0 HB2ASER A 166 18.341 20.208 -0.870 0.50 20.36 H new ATOM 0 HB2BSER A 166 17.381 21.253 -0.273 0.50 20.36 H new ATOM 0 HB3ASER A 166 17.199 21.040 -0.210 0.50 20.36 H new ATOM 0 HB3BSER A 166 18.815 21.828 -0.062 0.50 20.36 H new ATOM 0 HG ASER A 166 19.421 22.110 0.328 0.50 27.46 H new ATOM 0 HG BSER A 166 18.175 19.735 -1.515 0.50 27.46 H new ATOM 1110 N SER A 167 20.879 20.358 1.596 1.00 15.61 N ATOM 1111 CA ASER A 167 22.221 19.793 1.697 0.50 14.79 C ATOM 1112 CA BSER A 167 22.245 19.841 1.742 0.50 14.98 C ATOM 1113 C SER A 167 22.322 18.843 2.902 1.00 15.88 C ATOM 1114 O SER A 167 23.042 17.850 2.831 1.00 15.63 O ATOM 1115 CB ASER A 167 23.283 20.884 1.783 0.50 18.88 C ATOM 1116 CB BSER A 167 23.234 20.973 2.015 0.50 19.59 C ATOM 1117 OG ASER A 167 23.172 21.622 2.986 0.50 21.02 O ATOM 1118 OG BSER A 167 23.368 21.852 0.911 0.50 25.47 O ATOM 0 H ASER A 167 20.820 21.198 1.769 0.50 15.61 H new ATOM 0 H BSER A 167 20.804 21.201 1.749 0.50 15.61 H new ATOM 0 HA ASER A 167 22.386 19.284 0.888 0.50 14.98 H new ATOM 0 HA BSER A 167 22.477 19.401 0.909 0.50 14.98 H new ATOM 0 HB2ASER A 167 24.165 20.484 1.728 0.50 19.59 H new ATOM 0 HB2BSER A 167 22.940 21.475 2.791 0.50 19.59 H new ATOM 0 HB3ASER A 167 23.195 21.483 1.025 0.50 19.59 H new ATOM 0 HB3BSER A 167 24.101 20.596 2.232 0.50 19.59 H new ATOM 0 HG ASER A 167 22.373 21.617 3.246 0.50 25.47 H new ATOM 0 HG BSER A 167 22.758 22.429 0.937 0.50 25.47 H new ATOM 1119 N CYS A 168 21.586 19.140 3.992 1.00 13.75 N ATOM 1120 CA CYS A 168 21.577 18.297 5.181 1.00 13.46 C ATOM 1121 C CYS A 168 20.961 16.927 4.834 1.00 14.97 C ATOM 1122 O CYS A 168 21.559 15.891 5.122 1.00 13.89 O ATOM 1123 CB CYS A 168 20.822 19.017 6.288 1.00 13.63 C ATOM 1124 SG CYS A 168 20.956 18.234 7.909 1.00 16.03 S ATOM 0 H CYS A 168 21.084 19.836 4.052 1.00 13.75 H new ATOM 0 HA CYS A 168 22.479 18.132 5.498 1.00 13.46 H new ATOM 0 HB2 CYS A 168 21.152 19.927 6.352 1.00 13.63 H new ATOM 0 HB3 CYS A 168 19.885 19.072 6.043 1.00 13.63 H new ATOM 1125 N LYS A 169 19.827 16.931 4.146 1.00 14.13 N ATOM 1126 CA LYS A 169 19.164 15.696 3.723 1.00 13.59 C ATOM 1127 C LYS A 169 19.974 14.901 2.715 1.00 17.10 C ATOM 1128 O LYS A 169 19.955 13.667 2.759 1.00 17.21 O ATOM 1129 CB LYS A 169 17.756 15.983 3.201 1.00 15.35 C ATOM 1130 CG LYS A 169 16.854 16.461 4.302 1.00 17.50 C ATOM 1131 CD LYS A 169 15.515 16.918 3.802 1.00 22.22 C ATOM 1132 CE LYS A 169 14.577 16.965 4.972 0.50 18.80 C ATOM 1133 NZ LYS A 169 13.294 17.608 4.608 0.50 27.22 N ATOM 0 H LYS A 169 19.417 17.649 3.909 1.00 14.13 H new ATOM 0 HA LYS A 169 19.092 15.137 4.512 1.00 13.59 H new ATOM 0 HB2 LYS A 169 17.799 16.653 2.501 1.00 15.35 H new ATOM 0 HB3 LYS A 169 17.386 15.180 2.803 1.00 15.35 H new ATOM 0 HG2 LYS A 169 16.727 15.745 4.944 1.00 17.50 H new ATOM 0 HG3 LYS A 169 17.285 17.191 4.773 1.00 17.50 H new ATOM 0 HD2 LYS A 169 15.587 17.793 3.389 1.00 22.22 H new ATOM 0 HD3 LYS A 169 15.181 16.311 3.123 1.00 22.22 H new ATOM 0 HE2 LYS A 169 14.410 16.065 5.292 0.50 18.80 H new ATOM 0 HE3 LYS A 169 14.990 17.453 5.701 0.50 18.80 H new ATOM 0 HZ1 LYS A 169 12.694 17.458 5.248 0.50 27.22 H new ATOM 0 HZ2 LYS A 169 13.417 18.485 4.516 0.50 27.22 H new ATOM 0 HZ3 LYS A 169 12.999 17.268 3.840 0.50 27.22 H new ATOM 1134 N ASER A 170 20.701 15.581 1.820 0.50 13.97 N ATOM 1135 N BSER A 170 20.693 15.592 1.818 0.50 14.96 N ATOM 1136 CA ASER A 170 21.535 14.902 0.836 0.50 14.10 C ATOM 1137 CA BSER A 170 21.544 14.950 0.824 0.50 15.51 C ATOM 1138 C ASER A 170 22.742 14.251 1.515 0.50 17.68 C ATOM 1139 C BSER A 170 22.713 14.248 1.527 0.50 18.17 C ATOM 1140 O ASER A 170 23.173 13.179 1.088 0.50 18.41 O ATOM 1141 O BSER A 170 23.090 13.146 1.126 0.50 18.72 O ATOM 1142 CB ASER A 170 21.984 15.878 -0.244 0.50 17.21 C ATOM 1143 CB BSER A 170 22.071 15.984 -0.168 0.50 20.29 C ATOM 1144 OG ASER A 170 20.864 16.302 -1.001 0.50 22.94 O ATOM 1145 OG BSER A 170 23.013 15.418 -1.064 0.50 32.41 O ATOM 0 H ASER A 170 20.721 16.439 1.771 0.50 14.96 H new ATOM 0 H BSER A 170 20.696 16.451 1.775 0.50 14.96 H new ATOM 0 HA ASER A 170 21.010 14.203 0.415 0.50 15.51 H new ATOM 0 HA BSER A 170 21.023 14.293 0.336 0.50 15.51 H new ATOM 0 HB2ASER A 170 22.420 16.644 0.161 0.50 20.29 H new ATOM 0 HB2BSER A 170 21.330 16.358 -0.670 0.50 20.29 H new ATOM 0 HB3ASER A 170 22.636 15.454 -0.824 0.50 20.29 H new ATOM 0 HB3BSER A 170 22.484 16.716 0.316 0.50 20.29 H new ATOM 0 HG ASER A 170 20.487 16.942 -0.609 0.50 32.41 H new ATOM 0 HG BSER A 170 23.283 16.009 -1.597 0.50 32.41 H new ATOM 1146 N ALA A 171 23.262 14.873 2.596 1.00 14.22 N ATOM 1147 CA ALA A 171 24.377 14.324 3.356 1.00 14.01 C ATOM 1148 C ALA A 171 23.953 13.093 4.176 1.00 14.41 C ATOM 1149 O ALA A 171 24.748 12.160 4.338 1.00 15.29 O ATOM 1150 CB ALA A 171 24.947 15.402 4.281 1.00 15.17 C ATOM 0 H AALA A 171 22.969 15.623 2.898 0.50 14.22 H new ATOM 0 H BALA A 171 22.985 15.632 2.890 0.50 14.22 H new ATOM 0 HA ALA A 171 25.059 14.037 2.728 1.00 14.01 H new ATOM 0 HB1 ALA A 171 25.689 15.035 4.787 1.00 15.17 H new ATOM 0 HB2 ALA A 171 25.257 16.153 3.751 1.00 15.17 H new ATOM 0 HB3 ALA A 171 24.257 15.702 4.893 1.00 15.17 H new ATOM 1151 N TYR A 172 22.713 13.095 4.691 1.00 11.57 N ATOM 1152 CA TYR A 172 22.215 12.026 5.545 1.00 10.61 C ATOM 1153 C TYR A 172 20.840 11.597 5.053 1.00 12.74 C ATOM 1154 O TYR A 172 19.807 11.845 5.703 1.00 13.05 O ATOM 1155 CB TYR A 172 22.083 12.564 6.968 1.00 10.98 C ATOM 1156 CG TYR A 172 23.413 12.893 7.607 1.00 10.73 C ATOM 1157 CD1 TYR A 172 24.229 11.890 8.102 1.00 13.04 C ATOM 1158 CD2 TYR A 172 23.802 14.215 7.817 1.00 10.52 C ATOM 1159 CE1 TYR A 172 25.428 12.180 8.744 1.00 14.36 C ATOM 1160 CE2 TYR A 172 25.011 14.520 8.443 1.00 9.92 C ATOM 1161 CZ TYR A 172 25.819 13.496 8.915 1.00 12.10 C ATOM 1162 OH TYR A 172 27.000 13.755 9.580 1.00 12.15 O ATOM 0 H TYR A 172 22.142 13.722 4.549 1.00 11.57 H new ATOM 0 HA TYR A 172 22.823 11.271 5.524 1.00 10.61 H new ATOM 0 HB2 TYR A 172 21.531 13.361 6.956 1.00 10.98 H new ATOM 0 HB3 TYR A 172 21.622 11.908 7.514 1.00 10.98 H new ATOM 0 HD1 TYR A 172 23.969 11.002 8.003 1.00 13.04 H new ATOM 0 HD2 TYR A 172 23.246 14.905 7.535 1.00 10.52 H new ATOM 0 HE1 TYR A 172 25.967 11.490 9.058 1.00 14.36 H new ATOM 0 HE2 TYR A 172 25.274 15.406 8.543 1.00 9.92 H new ATOM 0 HH TYR A 172 27.037 14.570 9.778 1.00 12.15 H new ATOM 1163 N PRO A 173 20.795 10.889 3.904 1.00 12.51 N ATOM 1164 CA PRO A 173 19.489 10.486 3.390 1.00 13.71 C ATOM 1165 C PRO A 173 18.709 9.651 4.379 1.00 14.01 C ATOM 1166 O PRO A 173 19.280 8.785 5.054 1.00 13.79 O ATOM 1167 CB PRO A 173 19.795 9.692 2.113 1.00 17.11 C ATOM 1168 CG PRO A 173 21.262 9.664 1.987 1.00 18.42 C ATOM 1169 CD PRO A 173 21.912 10.489 3.024 1.00 13.52 C ATOM 0 HA PRO A 173 18.927 11.258 3.220 1.00 13.71 H new ATOM 0 HB2 PRO A 173 19.435 8.793 2.170 1.00 17.11 H new ATOM 0 HB3 PRO A 173 19.389 10.112 1.339 1.00 17.11 H new ATOM 0 HG2 PRO A 173 21.576 8.749 2.057 1.00 18.42 H new ATOM 0 HG3 PRO A 173 21.518 9.986 1.109 1.00 18.42 H new ATOM 0 HD2 PRO A 173 22.585 9.987 3.509 1.00 13.52 H new ATOM 0 HD3 PRO A 173 22.356 11.261 2.639 1.00 13.52 H new ATOM 1170 N GLY A 174 17.421 9.976 4.495 1.00 13.23 N ATOM 1171 CA GLY A 174 16.466 9.257 5.326 1.00 13.54 C ATOM 1172 C GLY A 174 16.621 9.473 6.817 1.00 14.90 C ATOM 1173 O GLY A 174 15.995 8.756 7.593 1.00 16.17 O ATOM 0 H GLY A 174 17.072 10.642 4.078 1.00 13.23 H new ATOM 0 HA2 GLY A 174 15.569 9.521 5.067 1.00 13.54 H new ATOM 0 HA3 GLY A 174 16.547 8.308 5.141 1.00 13.54 H new ATOM 1174 N GLN A 175 17.459 10.436 7.242 1.00 12.08 N ATOM 1175 CA GLN A 175 17.726 10.578 8.687 1.00 11.14 C ATOM 1176 C GLN A 175 17.435 11.922 9.263 1.00 11.28 C ATOM 1177 O GLN A 175 17.440 12.037 10.497 1.00 11.41 O ATOM 1178 CB GLN A 175 19.181 10.267 8.981 1.00 11.26 C ATOM 1179 CG GLN A 175 19.580 8.858 8.567 1.00 15.24 C ATOM 1180 CD GLN A 175 20.827 8.454 9.281 1.00 22.06 C ATOM 1181 OE1 GLN A 175 21.926 8.670 8.803 1.00 20.08 O ATOM 1182 NE2 GLN A 175 20.681 7.969 10.506 1.00 22.70 N ATOM 0 H GLN A 175 17.868 10.996 6.733 1.00 12.08 H new ATOM 0 HA GLN A 175 17.116 9.950 9.104 1.00 11.14 H new ATOM 0 HB2 GLN A 175 19.744 10.907 8.518 1.00 11.26 H new ATOM 0 HB3 GLN A 175 19.346 10.379 9.930 1.00 11.26 H new ATOM 0 HG2 GLN A 175 18.864 8.237 8.773 1.00 15.24 H new ATOM 0 HG3 GLN A 175 19.720 8.821 7.608 1.00 15.24 H new ATOM 0 HE21 GLN A 175 19.894 7.825 10.821 1.00 22.70 H new ATOM 0 HE22 GLN A 175 21.374 7.798 10.986 1.00 22.70 H new ATOM 1183 N ILE A 176 17.270 12.960 8.445 1.00 10.40 N ATOM 1184 CA ILE A 176 17.061 14.317 8.973 1.00 9.87 C ATOM 1185 C ILE A 176 15.570 14.580 9.112 1.00 13.88 C ATOM 1186 O ILE A 176 14.829 14.584 8.115 1.00 15.15 O ATOM 1187 CB ILE A 176 17.737 15.337 8.020 1.00 11.72 C ATOM 1188 CG1 ILE A 176 19.234 15.009 7.819 1.00 11.64 C ATOM 1189 CG2 ILE A 176 17.528 16.792 8.526 1.00 13.20 C ATOM 1190 CD1 ILE A 176 20.068 14.914 9.155 1.00 14.03 C ATOM 0 H ILE A 176 17.275 12.905 7.587 1.00 10.40 H new ATOM 0 HA ILE A 176 17.462 14.408 9.851 1.00 9.87 H new ATOM 0 HB ILE A 176 17.310 15.266 7.152 1.00 11.72 H new ATOM 0 HG12 ILE A 176 19.308 14.166 7.344 1.00 11.64 H new ATOM 0 HG13 ILE A 176 19.629 15.690 7.252 1.00 11.64 H new ATOM 0 HG21 ILE A 176 17.958 17.412 7.916 1.00 13.20 H new ATOM 0 HG22 ILE A 176 16.579 16.987 8.568 1.00 13.20 H new ATOM 0 HG23 ILE A 176 17.917 16.886 9.410 1.00 13.20 H new ATOM 0 HD11 ILE A 176 20.992 14.706 8.946 1.00 14.03 H new ATOM 0 HD12 ILE A 176 20.026 15.762 9.624 1.00 14.03 H new ATOM 0 HD13 ILE A 176 19.699 14.215 9.718 1.00 14.03 H new ATOM 1191 N THR A 177 15.106 14.813 10.347 1.00 10.36 N ATOM 1192 CA THR A 177 13.719 15.135 10.579 1.00 9.74 C ATOM 1193 C THR A 177 13.547 16.648 10.588 1.00 10.49 C ATOM 1194 O THR A 177 14.539 17.394 10.541 1.00 10.49 O ATOM 1195 CB THR A 177 13.240 14.509 11.884 1.00 12.35 C ATOM 1196 OG1 THR A 177 13.801 15.267 12.947 1.00 11.93 O ATOM 1197 CG2 THR A 177 13.630 13.041 11.994 1.00 12.84 C ATOM 0 H THR A 177 15.590 14.786 11.057 1.00 10.36 H new ATOM 0 HA THR A 177 13.175 14.768 9.865 1.00 9.74 H new ATOM 0 HB THR A 177 12.271 14.529 11.920 1.00 12.35 H new ATOM 0 HG1 THR A 177 13.466 15.019 13.676 1.00 11.93 H new ATOM 0 HG21 THR A 177 13.307 12.682 12.836 1.00 12.84 H new ATOM 0 HG22 THR A 177 13.236 12.545 11.259 1.00 12.84 H new ATOM 0 HG23 THR A 177 14.596 12.959 11.957 1.00 12.84 H new ATOM 1198 N SER A 178 12.296 17.103 10.726 1.00 11.19 N ATOM 1199 CA SER A 178 11.997 18.524 10.802 1.00 10.81 C ATOM 1200 C SER A 178 12.506 19.143 12.095 1.00 12.04 C ATOM 1201 O SER A 178 12.486 20.355 12.245 1.00 13.88 O ATOM 1202 CB SER A 178 10.490 18.751 10.684 1.00 15.29 C ATOM 1203 OG SER A 178 9.801 18.096 11.730 0.40 12.62 O ATOM 0 H SER A 178 11.605 16.594 10.777 1.00 11.19 H new ATOM 0 HA SER A 178 12.454 18.956 10.064 1.00 10.81 H new ATOM 0 HB2 SER A 178 10.299 19.702 10.710 1.00 15.29 H new ATOM 0 HB3 SER A 178 10.175 18.422 9.828 1.00 15.29 H new ATOM 0 HG SER A 178 9.533 18.664 12.288 0.40 12.62 H new ATOM 1204 N ASN A 179 12.996 18.307 13.025 1.00 9.40 N ATOM 1205 CA ASN A 179 13.522 18.773 14.316 1.00 9.22 C ATOM 1206 C ASN A 179 15.034 18.783 14.347 1.00 10.21 C ATOM 1207 O ASN A 179 15.609 18.851 15.440 1.00 9.93 O ATOM 1208 CB ASN A 179 12.986 17.863 15.416 1.00 10.40 C ATOM 1209 CG ASN A 179 11.492 17.880 15.454 1.00 12.18 C ATOM 1210 OD1 ASN A 179 10.887 18.958 15.516 1.00 12.45 O ATOM 1211 ND2 ASN A 179 10.861 16.720 15.447 1.00 10.77 N ATOM 0 H ASN A 179 13.032 17.454 12.922 1.00 9.40 H new ATOM 0 HA ASN A 179 13.229 19.687 14.454 1.00 9.22 H new ATOM 0 HB2 ASN A 179 13.298 16.956 15.269 1.00 10.40 H new ATOM 0 HB3 ASN A 179 13.337 18.148 16.274 1.00 10.40 H new ATOM 0 HD21 ASN A 179 10.002 16.697 15.486 1.00 10.77 H new ATOM 0 HD22 ASN A 179 11.309 15.987 15.403 1.00 10.77 H new ATOM 1212 N MET A 180 15.670 18.758 13.172 1.00 7.99 N ATOM 1213 CA MET A 180 17.120 18.707 13.067 1.00 8.31 C ATOM 1214 C MET A 180 17.605 19.667 12.008 1.00 10.76 C ATOM 1215 O MET A 180 16.868 19.966 11.053 1.00 11.19 O ATOM 1216 CB MET A 180 17.581 17.290 12.647 1.00 9.39 C ATOM 1217 CG MET A 180 17.236 16.203 13.664 1.00 9.76 C ATOM 1218 SD MET A 180 17.623 14.623 12.890 1.00 10.20 S ATOM 1219 CE MET A 180 16.849 13.533 14.040 1.00 11.86 C ATOM 0 H MET A 180 15.265 18.770 12.413 1.00 7.99 H new ATOM 0 HA MET A 180 17.484 18.942 13.935 1.00 8.31 H new ATOM 0 HB2 MET A 180 17.174 17.066 11.796 1.00 9.39 H new ATOM 0 HB3 MET A 180 18.541 17.299 12.509 1.00 9.39 H new ATOM 0 HG2 MET A 180 17.747 16.321 14.480 1.00 9.76 H new ATOM 0 HG3 MET A 180 16.298 16.246 13.908 1.00 9.76 H new ATOM 0 HE1 MET A 180 16.974 12.615 13.751 1.00 11.86 H new ATOM 0 HE2 MET A 180 17.246 13.653 14.917 1.00 11.86 H new ATOM 0 HE3 MET A 180 15.900 13.730 14.085 1.00 11.86 H new ATOM 1220 N PHE A 181 18.820 20.171 12.171 1.00 9.56 N ATOM 1221 CA PHE A 181 19.489 20.934 11.131 1.00 9.18 C ATOM 1222 C PHE A 181 20.942 20.577 11.116 1.00 10.74 C ATOM 1223 O PHE A 181 21.491 20.136 12.136 1.00 9.43 O ATOM 1224 CB PHE A 181 19.268 22.446 11.265 1.00 9.70 C ATOM 1225 CG PHE A 181 19.922 23.115 12.452 1.00 9.55 C ATOM 1226 CD1 PHE A 181 21.211 23.617 12.367 1.00 10.22 C ATOM 1227 CD2 PHE A 181 19.225 23.288 13.649 1.00 11.60 C ATOM 1228 CE1 PHE A 181 21.796 24.284 13.442 1.00 11.34 C ATOM 1229 CE2 PHE A 181 19.828 23.907 14.740 1.00 12.00 C ATOM 1230 CZ PHE A 181 21.091 24.433 14.629 1.00 11.07 C ATOM 0 H PHE A 181 19.281 20.079 12.891 1.00 9.56 H new ATOM 0 HA PHE A 181 19.095 20.695 10.278 1.00 9.18 H new ATOM 0 HB2 PHE A 181 19.592 22.874 10.457 1.00 9.70 H new ATOM 0 HB3 PHE A 181 18.313 22.611 11.310 1.00 9.70 H new ATOM 0 HD1 PHE A 181 21.694 23.507 11.580 1.00 10.22 H new ATOM 0 HD2 PHE A 181 18.348 22.986 13.718 1.00 11.60 H new ATOM 0 HE1 PHE A 181 22.656 24.628 13.364 1.00 11.34 H new ATOM 0 HE2 PHE A 181 19.373 23.965 15.549 1.00 12.00 H new ATOM 0 HZ PHE A 181 21.473 24.887 15.345 1.00 11.07 H new ATOM 1231 N CYS A 182 21.623 20.818 9.979 1.00 10.14 N ATOM 1232 CA CYS A 182 23.059 20.594 9.865 1.00 10.77 C ATOM 1233 C CYS A 182 23.740 21.933 9.962 1.00 11.77 C ATOM 1234 O CYS A 182 23.187 22.939 9.524 1.00 10.80 O ATOM 1235 CB CYS A 182 23.430 19.941 8.543 1.00 11.94 C ATOM 1236 SG CYS A 182 22.938 18.216 8.389 1.00 14.96 S ATOM 0 H CYS A 182 21.257 21.115 9.260 1.00 10.14 H new ATOM 0 HA CYS A 182 23.341 19.995 10.574 1.00 10.77 H new ATOM 0 HB2 CYS A 182 23.023 20.446 7.822 1.00 11.94 H new ATOM 0 HB3 CYS A 182 24.391 20.002 8.425 1.00 11.94 H new ATOM 1237 N ALA A 183 24.946 21.940 10.464 1.00 11.53 N ATOM 1238 CA ALA A 183 25.753 23.148 10.480 1.00 11.27 C ATOM 1239 C ALA A 183 27.167 22.702 10.313 1.00 13.36 C ATOM 1240 O ALA A 183 27.540 21.591 10.709 1.00 13.46 O ATOM 1241 CB ALA A 183 25.571 23.956 11.768 1.00 12.54 C ATOM 0 H ALA A 183 25.329 21.251 10.807 1.00 11.53 H new ATOM 0 HA ALA A 183 25.481 23.747 9.767 1.00 11.27 H new ATOM 0 HB1 ALA A 183 26.127 24.750 11.733 1.00 12.54 H new ATOM 0 HB2 ALA A 183 24.641 24.217 11.858 1.00 12.54 H new ATOM 0 HB3 ALA A 183 25.830 23.414 12.530 1.00 12.54 H new ATOM 1242 N GLY A 184 27.980 23.562 9.728 1.00 12.39 N ATOM 1243 CA GLY A 184 29.353 23.169 9.538 1.00 12.84 C ATOM 1244 C GLY A 184 29.842 23.394 8.139 1.00 15.51 C ATOM 1245 O GLY A 184 29.472 24.377 7.489 1.00 14.77 O ATOM 0 H GLY A 184 27.767 24.346 9.445 1.00 12.39 H new ATOM 0 HA2 GLY A 184 29.914 23.665 10.154 1.00 12.84 H new ATOM 0 HA3 GLY A 184 29.449 22.230 9.761 1.00 12.84 H new ATOM 1246 N TYR A 184A 30.699 22.479 7.696 1.00 13.86 N ATOM 1247 CA TYR A 184A 31.429 22.609 6.438 1.00 15.17 C ATOM 1248 C TYR A 184A 31.426 21.285 5.738 1.00 18.24 C ATOM 1249 O TYR A 184A 32.002 20.325 6.244 1.00 19.57 O ATOM 1250 CB TYR A 184A 32.875 23.067 6.754 1.00 17.51 C ATOM 1251 CG TYR A 184A 32.923 24.401 7.463 1.00 17.78 C ATOM 1252 CD1 TYR A 184A 32.899 25.590 6.749 1.00 18.00 C ATOM 1253 CD2 TYR A 184A 32.900 24.478 8.856 1.00 18.68 C ATOM 1254 CE1 TYR A 184A 32.923 26.822 7.394 1.00 18.39 C ATOM 1255 CE2 TYR A 184A 32.893 25.706 9.514 1.00 18.99 C ATOM 1256 CZ TYR A 184A 32.898 26.878 8.775 1.00 19.61 C ATOM 1257 OH TYR A 184A 32.904 28.109 9.394 1.00 21.06 O ATOM 0 H TYR A 184A 30.876 21.754 8.124 1.00 13.86 H new ATOM 0 HA TYR A 184A 31.011 23.265 5.859 1.00 15.17 H new ATOM 0 HB2 TYR A 184A 33.309 22.397 7.304 1.00 17.51 H new ATOM 0 HB3 TYR A 184A 33.379 23.126 5.928 1.00 17.51 H new ATOM 0 HD1 TYR A 184A 32.866 25.563 5.820 1.00 18.00 H new ATOM 0 HD2 TYR A 184A 32.889 23.694 9.355 1.00 18.68 H new ATOM 0 HE1 TYR A 184A 32.956 27.607 6.897 1.00 18.39 H new ATOM 0 HE2 TYR A 184A 32.885 25.739 10.443 1.00 18.99 H new ATOM 0 HH TYR A 184A 32.787 28.008 10.220 1.00 21.06 H new ATOM 1258 N LEU A 185 30.827 21.246 4.554 1.00 16.27 N ATOM 1259 CA LEU A 185 30.795 20.019 3.755 1.00 17.27 C ATOM 1260 C LEU A 185 32.183 19.549 3.327 1.00 19.87 C ATOM 1261 O LEU A 185 32.377 18.355 3.109 1.00 19.52 O ATOM 1262 CB LEU A 185 29.896 20.201 2.532 1.00 17.90 C ATOM 1263 CG LEU A 185 28.403 20.404 2.803 1.00 22.75 C ATOM 1264 CD1 LEU A 185 27.646 20.557 1.517 1.00 23.25 C ATOM 1265 CD2 LEU A 185 27.810 19.243 3.611 1.00 22.92 C ATOM 0 H LEU A 185 30.432 21.918 4.192 1.00 16.27 H new ATOM 0 HA LEU A 185 30.429 19.326 4.326 1.00 17.27 H new ATOM 0 HB2 LEU A 185 30.219 20.965 2.029 1.00 17.90 H new ATOM 0 HB3 LEU A 185 29.998 19.422 1.962 1.00 17.90 H new ATOM 0 HG LEU A 185 28.316 21.216 3.326 1.00 22.75 H new ATOM 0 HD11 LEU A 185 26.704 20.684 1.709 1.00 23.25 H new ATOM 0 HD12 LEU A 185 27.984 21.326 1.032 1.00 23.25 H new ATOM 0 HD13 LEU A 185 27.760 19.759 0.977 1.00 23.25 H new ATOM 0 HD21 LEU A 185 26.866 19.404 3.764 1.00 22.92 H new ATOM 0 HD22 LEU A 185 27.921 18.415 3.117 1.00 22.92 H new ATOM 0 HD23 LEU A 185 28.268 19.174 4.463 1.00 22.92 H new ATOM 1266 N GLU A 186 33.169 20.466 3.260 1.00 18.92 N ATOM 1267 CA GLU A 186 34.540 20.086 2.926 1.00 19.48 C ATOM 1268 C GLU A 186 35.228 19.351 4.080 1.00 23.95 C ATOM 1269 O GLU A 186 36.262 18.720 3.869 1.00 24.23 O ATOM 1270 CB GLU A 186 35.363 21.331 2.528 1.00 21.03 C ATOM 1271 CG GLU A 186 35.003 21.916 1.170 0.50 31.15 C ATOM 1272 CD GLU A 186 35.820 23.110 0.701 0.50 51.91 C ATOM 1273 OE1 GLU A 186 36.490 23.757 1.539 0.50 47.48 O ATOM 1274 OE2 GLU A 186 35.774 23.408 -0.514 0.50 45.14 O ATOM 0 H GLU A 186 33.057 21.306 3.405 1.00 18.92 H new ATOM 0 HA GLU A 186 34.494 19.477 2.173 1.00 19.48 H new ATOM 0 HB2 GLU A 186 35.242 22.015 3.205 1.00 21.03 H new ATOM 0 HB3 GLU A 186 36.304 21.096 2.527 1.00 21.03 H new ATOM 0 HG2 GLU A 186 35.086 21.213 0.506 0.50 31.15 H new ATOM 0 HG3 GLU A 186 34.069 22.178 1.191 0.50 31.15 H new ATOM 1275 N GLY A 187 34.644 19.434 5.277 1.00 20.79 N ATOM 1276 CA GLY A 187 35.179 18.818 6.484 1.00 21.11 C ATOM 1277 C GLY A 187 36.264 19.659 7.130 1.00 23.36 C ATOM 1278 O GLY A 187 36.534 20.791 6.705 1.00 25.28 O ATOM 0 H GLY A 187 33.909 19.861 5.409 1.00 20.79 H new ATOM 0 HA2 GLY A 187 34.459 18.679 7.119 1.00 21.11 H new ATOM 0 HA3 GLY A 187 35.538 17.943 6.266 1.00 21.11 H new ATOM 1279 N GLY A 188 36.890 19.094 8.143 1.00 16.69 N ATOM 1280 CA GLY A 188 37.974 19.731 8.883 1.00 17.03 C ATOM 1281 C GLY A 188 37.572 20.530 10.104 1.00 17.42 C ATOM 1282 O GLY A 188 38.411 20.776 10.972 1.00 17.24 O ATOM 0 H GLY A 188 36.695 18.308 8.432 1.00 16.69 H new ATOM 0 HA2 GLY A 188 38.598 19.043 9.161 1.00 17.03 H new ATOM 0 HA3 GLY A 188 38.452 20.319 8.278 1.00 17.03 H new ATOM 1283 N ALYS A 188A 36.308 20.976 10.180 0.50 14.41 N ATOM 1284 N BLYS A 188A 36.310 20.950 10.178 0.50 14.10 N ATOM 1285 CA ALYS A 188A 35.816 21.798 11.292 0.50 13.34 C ATOM 1286 CA BLYS A 188A 35.813 21.770 11.281 0.50 12.90 C ATOM 1287 C ALYS A 188A 34.444 21.281 11.690 0.50 14.41 C ATOM 1288 C BLYS A 188A 34.463 21.210 11.667 0.50 14.17 C ATOM 1289 O ALYS A 188A 33.528 21.312 10.863 0.50 15.71 O ATOM 1290 O BLYS A 188A 33.580 21.133 10.806 0.50 15.58 O ATOM 1291 CB ALYS A 188A 35.708 23.273 10.861 0.50 15.70 C ATOM 1292 CB BLYS A 188A 35.638 23.228 10.815 0.50 14.84 C ATOM 1293 CG ALYS A 188A 37.034 24.027 10.847 0.50 20.71 C ATOM 1294 CG BLYS A 188A 36.931 23.955 10.477 0.50 15.67 C ATOM 1295 CD ALYS A 188A 36.850 25.526 10.523 0.50 24.46 C ATOM 1296 CD BLYS A 188A 36.624 25.332 9.915 0.50 17.24 C ATOM 1297 CE ALYS A 188A 36.762 25.820 9.041 0.50 33.65 C ATOM 1298 CE BLYS A 188A 37.858 26.174 9.742 0.50 26.72 C ATOM 1299 NZ ALYS A 188A 36.341 27.227 8.787 0.50 40.32 N ATOM 1300 NZ BLYS A 188A 37.500 27.612 9.598 0.50 36.12 N ATOM 0 H ALYS A 188A 35.712 20.808 9.583 0.50 14.10 H new ATOM 0 H BLYS A 188A 35.715 20.766 9.585 0.50 14.10 H new ATOM 0 HA ALYS A 188A 36.431 21.743 12.040 0.50 12.90 H new ATOM 0 HA BLYS A 188A 36.433 21.756 12.027 0.50 12.90 H new ATOM 0 HB2ALYS A 188A 35.318 23.311 9.974 0.50 14.84 H new ATOM 0 HB2BLYS A 188A 35.064 23.237 10.033 0.50 14.84 H new ATOM 0 HB3ALYS A 188A 35.096 23.729 11.460 0.50 14.84 H new ATOM 0 HB3BLYS A 188A 35.177 23.723 11.511 0.50 14.84 H new ATOM 0 HG2ALYS A 188A 37.465 23.935 11.711 0.50 15.67 H new ATOM 0 HG2BLYS A 188A 37.481 24.037 11.272 0.50 15.67 H new ATOM 0 HG3ALYS A 188A 37.625 23.626 10.191 0.50 15.67 H new ATOM 0 HG3BLYS A 188A 37.440 23.441 9.831 0.50 15.67 H new ATOM 0 HD2ALYS A 188A 36.044 25.846 10.957 0.50 17.24 H new ATOM 0 HD2BLYS A 188A 36.179 25.236 9.058 0.50 17.24 H new ATOM 0 HD3ALYS A 188A 37.592 26.024 10.900 0.50 17.24 H new ATOM 0 HD3BLYS A 188A 36.005 25.788 10.506 0.50 17.24 H new ATOM 0 HE2ALYS A 188A 37.624 25.659 8.626 0.50 26.72 H new ATOM 0 HE2BLYS A 188A 38.444 26.057 10.506 0.50 26.72 H new ATOM 0 HE3ALYS A 188A 36.130 25.212 8.626 0.50 26.72 H new ATOM 0 HE3BLYS A 188A 38.349 25.879 8.960 0.50 26.72 H new ATOM 0 HZ1ALYS A 188A 36.671 27.499 8.006 0.50 36.12 H new ATOM 0 HZ1BLYS A 188A 38.116 28.113 10.000 0.50 36.12 H new ATOM 0 HZ2ALYS A 188A 35.452 27.272 8.765 0.50 36.12 H new ATOM 0 HZ2BLYS A 188A 37.463 27.824 8.734 0.50 36.12 H new ATOM 0 HZ3ALYS A 188A 36.648 27.751 9.437 0.50 36.12 H new ATOM 0 HZ3BLYS A 188A 36.707 27.760 9.974 0.50 36.12 H new ATOM 1301 N ASP A 189 34.300 20.793 12.938 1.00 10.63 N ATOM 1302 CA ASP A 189 33.039 20.209 13.385 1.00 11.36 C ATOM 1303 C ASP A 189 33.026 20.067 14.891 1.00 12.34 C ATOM 1304 O ASP A 189 34.063 20.148 15.541 1.00 12.41 O ATOM 1305 CB ASP A 189 32.930 18.784 12.755 1.00 12.70 C ATOM 1306 CG ASP A 189 31.583 18.087 12.697 1.00 17.40 C ATOM 1307 OD1 ASP A 189 30.572 18.711 13.065 1.00 16.68 O ATOM 1308 OD2 ASP A 189 31.538 16.926 12.220 1.00 17.89 O ATOM 0 H AASP A 189 34.923 20.795 13.531 0.50 10.63 H new ATOM 0 H BASP A 189 34.907 20.843 13.545 0.50 10.63 H new ATOM 0 HA ASP A 189 32.301 20.778 13.116 1.00 11.36 H new ATOM 0 HB2 ASP A 189 33.265 18.843 11.847 1.00 12.70 H new ATOM 0 HB3 ASP A 189 33.535 18.204 13.244 1.00 12.70 H new ATOM 1309 N SER A 190 31.850 19.785 15.457 1.00 11.72 N ATOM 1310 CA SER A 190 31.737 19.360 16.842 1.00 10.99 C ATOM 1311 C SER A 190 32.133 17.853 16.882 1.00 14.11 C ATOM 1312 O SER A 190 32.156 17.187 15.826 1.00 13.53 O ATOM 1313 CB SER A 190 30.320 19.568 17.347 1.00 13.25 C ATOM 1314 OG SER A 190 29.380 18.991 16.466 1.00 13.00 O ATOM 0 H SER A 190 31.098 19.837 15.043 1.00 11.72 H new ATOM 0 HA SER A 190 32.319 19.880 17.418 1.00 10.99 H new ATOM 0 HB2 SER A 190 30.226 19.175 18.229 1.00 13.25 H new ATOM 0 HB3 SER A 190 30.142 20.517 17.439 1.00 13.25 H new ATOM 0 HG SER A 190 28.968 19.599 16.058 1.00 13.00 H new ATOM 1315 N CYS A 191 32.395 17.294 18.059 1.00 11.57 N ATOM 1316 CA CYS A 191 32.819 15.898 18.131 1.00 12.06 C ATOM 1317 C CYS A 191 32.472 15.295 19.479 1.00 13.62 C ATOM 1318 O CYS A 191 32.033 15.995 20.368 1.00 14.05 O ATOM 1319 CB CYS A 191 34.324 15.830 17.856 1.00 13.26 C ATOM 1320 SG CYS A 191 34.916 14.202 17.293 1.00 17.48 S ATOM 0 H CYS A 191 32.335 17.697 18.817 1.00 11.57 H new ATOM 0 HA CYS A 191 32.349 15.377 17.462 1.00 12.06 H new ATOM 0 HB2 CYS A 191 34.549 16.493 17.185 1.00 13.26 H new ATOM 0 HB3 CYS A 191 34.800 16.073 18.665 1.00 13.26 H new ATOM 1321 N GLN A 192 32.749 14.007 19.680 1.00 13.77 N ATOM 1322 CA GLN A 192 32.516 13.257 20.929 1.00 12.99 C ATOM 1323 C GLN A 192 32.828 14.080 22.180 1.00 13.18 C ATOM 1324 O GLN A 192 33.987 14.482 22.383 1.00 13.39 O ATOM 1325 CB GLN A 192 33.457 12.043 20.979 1.00 15.93 C ATOM 1326 CG GLN A 192 33.243 10.967 19.938 1.00 39.89 C ATOM 1327 CD GLN A 192 33.757 9.644 20.461 1.00 65.80 C ATOM 1328 OE1 GLN A 192 32.985 8.734 20.769 1.00 66.03 O ATOM 1329 NE2 GLN A 192 35.068 9.525 20.640 1.00 56.94 N ATOM 0 H GLN A 192 33.096 13.517 19.064 1.00 13.77 H new ATOM 0 HA GLN A 192 31.578 13.010 20.925 1.00 12.99 H new ATOM 0 HB2 GLN A 192 34.369 12.364 20.898 1.00 15.93 H new ATOM 0 HB3 GLN A 192 33.377 11.635 21.855 1.00 15.93 H new ATOM 0 HG2 GLN A 192 32.300 10.896 19.723 1.00 39.89 H new ATOM 0 HG3 GLN A 192 33.704 11.202 19.118 1.00 39.89 H new ATOM 0 HE21 GLN A 192 35.592 10.170 20.419 1.00 56.94 H new ATOM 0 HE22 GLN A 192 35.392 8.803 20.976 1.00 56.94 H new ATOM 1330 N GLY A 193 31.848 14.279 23.045 1.00 10.81 N ATOM 1331 CA GLY A 193 32.044 15.044 24.257 1.00 10.43 C ATOM 1332 C GLY A 193 31.419 16.425 24.160 1.00 10.50 C ATOM 1333 O GLY A 193 31.245 17.090 25.183 1.00 11.05 O ATOM 0 H GLY A 193 31.051 13.973 22.944 1.00 10.81 H new ATOM 0 HA2 GLY A 193 31.657 14.566 25.007 1.00 10.43 H new ATOM 0 HA3 GLY A 193 32.994 15.131 24.435 1.00 10.43 H new ATOM 1334 N ASP A 194 31.123 16.888 22.937 1.00 9.56 N ATOM 1335 CA ASP A 194 30.478 18.188 22.728 1.00 9.16 C ATOM 1336 C ASP A 194 28.984 18.098 22.753 1.00 9.03 C ATOM 1337 O ASP A 194 28.300 19.138 22.877 1.00 8.73 O ATOM 1338 CB ASP A 194 30.850 18.798 21.374 1.00 9.86 C ATOM 1339 CG ASP A 194 32.288 19.213 21.248 1.00 11.19 C ATOM 1340 OD1 ASP A 194 32.832 19.724 22.224 1.00 11.91 O ATOM 1341 OD2 ASP A 194 32.853 19.059 20.141 1.00 11.41 O ATOM 0 H ASP A 194 31.291 16.458 22.211 1.00 9.56 H new ATOM 0 HA ASP A 194 30.796 18.741 23.459 1.00 9.16 H new ATOM 0 HB2 ASP A 194 30.649 18.154 20.677 1.00 9.86 H new ATOM 0 HB3 ASP A 194 30.287 19.572 21.216 1.00 9.86 H new ATOM 1342 N SER A 195 28.431 16.891 22.663 1.00 8.18 N ATOM 1343 CA SER A 195 26.978 16.790 22.556 1.00 7.63 C ATOM 1344 C SER A 195 26.291 17.327 23.790 1.00 9.17 C ATOM 1345 O SER A 195 26.850 17.349 24.895 1.00 8.65 O ATOM 1346 CB SER A 195 26.522 15.401 22.169 1.00 10.38 C ATOM 1347 OG SER A 195 26.657 14.572 23.304 1.00 10.46 O ATOM 0 H SER A 195 28.859 16.145 22.662 1.00 8.18 H new ATOM 0 HA SER A 195 26.702 17.361 21.822 1.00 7.63 H new ATOM 0 HB2 SER A 195 25.600 15.417 21.867 1.00 10.38 H new ATOM 0 HB3 SER A 195 27.055 15.060 21.434 1.00 10.38 H new ATOM 0 HG SER A 195 25.908 14.250 23.507 1.00 10.46 H new ATOM 1348 N GLY A 196 25.110 17.839 23.561 1.00 6.82 N ATOM 1349 CA GLY A 196 24.296 18.500 24.556 1.00 7.57 C ATOM 1350 C GLY A 196 24.572 19.994 24.602 1.00 7.84 C ATOM 1351 O GLY A 196 23.772 20.736 25.180 1.00 9.35 O ATOM 0 H GLY A 196 24.738 17.812 22.786 1.00 6.82 H new ATOM 0 HA2 GLY A 196 23.358 18.349 24.360 1.00 7.57 H new ATOM 0 HA3 GLY A 196 24.470 18.111 25.428 1.00 7.57 H new ATOM 1352 N GLY A 197 25.710 20.430 24.053 1.00 7.96 N ATOM 1353 CA GLY A 197 26.157 21.813 24.103 1.00 8.02 C ATOM 1354 C GLY A 197 25.420 22.721 23.147 1.00 9.24 C ATOM 1355 O GLY A 197 24.658 22.289 22.291 1.00 8.52 O ATOM 0 H GLY A 197 26.252 19.912 23.632 1.00 7.96 H new ATOM 0 HA2 GLY A 197 26.046 22.148 25.006 1.00 8.02 H new ATOM 0 HA3 GLY A 197 27.105 21.846 23.903 1.00 8.02 H new ATOM 1356 N PRO A 198 25.750 23.999 23.262 1.00 8.09 N ATOM 1357 CA PRO A 198 25.008 25.038 22.513 1.00 8.31 C ATOM 1358 C PRO A 198 25.482 25.291 21.094 1.00 10.55 C ATOM 1359 O PRO A 198 26.669 25.208 20.777 1.00 10.25 O ATOM 1360 CB PRO A 198 25.301 26.318 23.312 1.00 10.45 C ATOM 1361 CG PRO A 198 26.661 26.037 23.962 1.00 12.67 C ATOM 1362 CD PRO A 198 26.653 24.569 24.280 1.00 9.03 C ATOM 0 HA PRO A 198 24.081 24.763 22.429 1.00 8.31 H new ATOM 0 HB2 PRO A 198 25.336 27.098 22.736 1.00 10.45 H new ATOM 0 HB3 PRO A 198 24.616 26.487 23.978 1.00 10.45 H new ATOM 0 HG2 PRO A 198 27.389 26.261 23.361 1.00 12.67 H new ATOM 0 HG3 PRO A 198 26.782 26.568 24.765 1.00 12.67 H new ATOM 0 HD2 PRO A 198 27.543 24.187 24.222 1.00 9.03 H new ATOM 0 HD3 PRO A 198 26.329 24.400 25.179 1.00 9.03 H new ATOM 1363 N VAL A 199 24.514 25.721 20.266 1.00 9.04 N ATOM 1364 CA VAL A 199 24.742 26.320 18.950 1.00 8.62 C ATOM 1365 C VAL A 199 24.002 27.661 19.069 1.00 9.21 C ATOM 1366 O VAL A 199 22.765 27.689 19.153 1.00 9.50 O ATOM 1367 CB VAL A 199 24.145 25.494 17.803 1.00 11.54 C ATOM 1368 CG1 VAL A 199 24.399 26.202 16.462 1.00 13.13 C ATOM 1369 CG2 VAL A 199 24.725 24.086 17.785 1.00 12.73 C ATOM 0 H VAL A 199 23.680 25.667 20.468 1.00 9.04 H new ATOM 0 HA VAL A 199 25.686 26.389 18.739 1.00 8.62 H new ATOM 0 HB VAL A 199 23.188 25.418 17.943 1.00 11.54 H new ATOM 0 HG11 VAL A 199 24.020 25.676 15.741 1.00 13.13 H new ATOM 0 HG12 VAL A 199 23.984 27.079 16.475 1.00 13.13 H new ATOM 0 HG13 VAL A 199 25.354 26.299 16.323 1.00 13.13 H new ATOM 0 HG21 VAL A 199 24.334 23.584 17.053 1.00 12.73 H new ATOM 0 HG22 VAL A 199 25.687 24.133 17.666 1.00 12.73 H new ATOM 0 HG23 VAL A 199 24.525 23.643 18.624 1.00 12.73 H new ATOM 1370 N VAL A 200 24.762 28.760 19.166 1.00 8.25 N ATOM 1371 CA VAL A 200 24.165 30.075 19.393 1.00 8.81 C ATOM 1372 C VAL A 200 24.337 30.940 18.164 1.00 10.87 C ATOM 1373 O VAL A 200 25.438 31.068 17.638 1.00 11.30 O ATOM 1374 CB VAL A 200 24.786 30.678 20.660 1.00 12.06 C ATOM 1375 CG1 VAL A 200 24.472 32.170 20.789 1.00 13.25 C ATOM 1376 CG2 VAL A 200 24.292 29.915 21.896 1.00 12.34 C ATOM 0 H VAL A 200 25.620 28.762 19.103 1.00 8.25 H new ATOM 0 HA VAL A 200 23.209 30.008 19.540 1.00 8.81 H new ATOM 0 HB VAL A 200 25.750 30.590 20.594 1.00 12.06 H new ATOM 0 HG11 VAL A 200 24.878 32.518 21.598 1.00 13.25 H new ATOM 0 HG12 VAL A 200 24.827 32.643 20.020 1.00 13.25 H new ATOM 0 HG13 VAL A 200 23.511 32.296 20.830 1.00 13.25 H new ATOM 0 HG21 VAL A 200 24.687 30.300 22.694 1.00 12.34 H new ATOM 0 HG22 VAL A 200 23.326 29.979 21.951 1.00 12.34 H new ATOM 0 HG23 VAL A 200 24.550 28.983 21.826 1.00 12.34 H new ATOM 1377 N CYS A 201 23.259 31.598 17.758 1.00 10.79 N ATOM 1378 CA CYS A 201 23.252 32.443 16.549 1.00 12.72 C ATOM 1379 C CYS A 201 22.604 33.748 16.944 1.00 15.31 C ATOM 1380 O CYS A 201 21.495 33.741 17.456 1.00 14.41 O ATOM 1381 CB CYS A 201 22.505 31.773 15.393 1.00 13.64 C ATOM 1382 SG CYS A 201 22.712 29.969 15.315 1.00 16.59 S ATOM 0 H CYS A 201 22.505 31.573 18.171 1.00 10.79 H new ATOM 0 HA CYS A 201 24.155 32.588 16.226 1.00 12.72 H new ATOM 0 HB2 CYS A 201 21.560 31.977 15.471 1.00 13.64 H new ATOM 0 HB3 CYS A 201 22.810 32.160 14.557 1.00 13.64 H new ATOM 1383 N SER A 202 23.334 34.865 16.785 1.00 16.71 N ATOM 1384 CA SER A 202 22.838 36.191 17.128 1.00 16.79 C ATOM 1385 C SER A 202 22.251 36.261 18.553 1.00 17.72 C ATOM 1386 O SER A 202 21.178 36.841 18.763 1.00 20.29 O ATOM 1387 CB SER A 202 21.845 36.691 16.071 1.00 20.04 C ATOM 1388 OG SER A 202 22.410 36.610 14.767 1.00 28.10 O ATOM 0 H SER A 202 24.135 34.865 16.472 1.00 16.71 H new ATOM 0 HA SER A 202 23.601 36.790 17.129 1.00 16.79 H new ATOM 0 HB2 SER A 202 21.032 36.163 16.109 1.00 20.04 H new ATOM 0 HB3 SER A 202 21.596 37.609 16.264 1.00 20.04 H new ATOM 0 HG SER A 202 23.244 36.530 14.827 1.00 28.10 H new ATOM 1389 N GLY A 203 22.927 35.623 19.501 1.00 15.18 N ATOM 1390 CA GLY A 203 22.556 35.663 20.904 1.00 15.14 C ATOM 1391 C GLY A 203 21.371 34.804 21.298 1.00 16.72 C ATOM 1392 O GLY A 203 20.813 34.990 22.385 1.00 17.65 O ATOM 0 H GLY A 203 23.626 35.147 19.342 1.00 15.18 H new ATOM 0 HA2 GLY A 203 23.322 35.389 21.432 1.00 15.14 H new ATOM 0 HA3 GLY A 203 22.361 36.583 21.143 1.00 15.14 H new ATOM 1393 N LYS A 204 20.994 33.837 20.444 1.00 12.31 N ATOM 1394 CA LYS A 204 19.879 32.932 20.729 1.00 12.05 C ATOM 1395 C LYS A 204 20.368 31.509 20.611 1.00 11.70 C ATOM 1396 O LYS A 204 21.150 31.182 19.707 1.00 11.17 O ATOM 1397 CB LYS A 204 18.698 33.130 19.751 1.00 15.47 C ATOM 1398 CG LYS A 204 18.134 34.564 19.663 1.00 20.79 C ATOM 1399 CD LYS A 204 17.511 35.072 20.953 1.00 24.72 C ATOM 1400 CE LYS A 204 16.590 36.264 20.750 1.00 38.02 C ATOM 1401 NZ LYS A 204 17.186 37.318 19.895 1.00 42.54 N ATOM 0 H LYS A 204 21.379 33.693 19.689 1.00 12.31 H new ATOM 0 HA LYS A 204 19.561 33.126 21.624 1.00 12.05 H new ATOM 0 HB2 LYS A 204 18.984 32.858 18.865 1.00 15.47 H new ATOM 0 HB3 LYS A 204 17.980 32.533 20.013 1.00 15.47 H new ATOM 0 HG2 LYS A 204 18.849 35.166 19.403 1.00 20.79 H new ATOM 0 HG3 LYS A 204 17.467 34.595 18.960 1.00 20.79 H new ATOM 0 HD2 LYS A 204 17.011 34.352 21.368 1.00 24.72 H new ATOM 0 HD3 LYS A 204 18.217 35.319 21.570 1.00 24.72 H new ATOM 0 HE2 LYS A 204 15.760 35.961 20.350 1.00 38.02 H new ATOM 0 HE3 LYS A 204 16.366 36.644 21.614 1.00 38.02 H new ATOM 0 HZ1 LYS A 204 16.669 38.042 19.913 1.00 42.54 H new ATOM 0 HZ2 LYS A 204 17.996 37.524 20.199 1.00 42.54 H new ATOM 0 HZ3 LYS A 204 17.251 37.021 19.059 1.00 42.54 H new ATOM 1402 N LEU A 209 19.822 30.649 21.469 1.00 9.10 N ATOM 1403 CA LEU A 209 20.140 29.234 21.425 1.00 9.23 C ATOM 1404 C LEU A 209 19.321 28.573 20.307 1.00 10.33 C ATOM 1405 O LEU A 209 18.157 28.236 20.498 1.00 12.70 O ATOM 1406 CB LEU A 209 19.817 28.608 22.765 1.00 9.09 C ATOM 1407 CG LEU A 209 20.197 27.114 22.840 1.00 10.09 C ATOM 1408 CD1 LEU A 209 21.716 26.895 22.800 1.00 11.97 C ATOM 1409 CD2 LEU A 209 19.606 26.486 24.089 1.00 11.49 C ATOM 0 H LEU A 209 19.264 30.871 22.084 1.00 9.10 H new ATOM 0 HA LEU A 209 21.084 29.106 21.242 1.00 9.23 H new ATOM 0 HB2 LEU A 209 20.286 29.091 23.463 1.00 9.09 H new ATOM 0 HB3 LEU A 209 18.868 28.704 22.941 1.00 9.09 H new ATOM 0 HG LEU A 209 19.826 26.682 22.055 1.00 10.09 H new ATOM 0 HD11 LEU A 209 21.908 25.945 22.849 1.00 11.97 H new ATOM 0 HD12 LEU A 209 22.073 27.254 21.973 1.00 11.97 H new ATOM 0 HD13 LEU A 209 22.128 27.347 23.553 1.00 11.97 H new ATOM 0 HD21 LEU A 209 19.850 25.548 24.127 1.00 11.49 H new ATOM 0 HD22 LEU A 209 19.950 26.941 24.874 1.00 11.49 H new ATOM 0 HD23 LEU A 209 18.640 26.567 24.066 1.00 11.49 H new ATOM 1410 N GLN A 210 19.928 28.361 19.158 1.00 8.74 N ATOM 1411 CA GLN A 210 19.222 27.757 18.044 1.00 8.72 C ATOM 1412 C GLN A 210 19.376 26.248 17.927 1.00 9.09 C ATOM 1413 O GLN A 210 18.526 25.576 17.339 1.00 9.27 O ATOM 1414 CB GLN A 210 19.644 28.406 16.715 1.00 10.79 C ATOM 1415 CG GLN A 210 19.194 29.861 16.560 1.00 12.22 C ATOM 1416 CD GLN A 210 17.718 30.065 16.307 1.00 14.91 C ATOM 1417 OE1 GLN A 210 16.924 29.127 16.161 1.00 18.16 O ATOM 1418 NE2 GLN A 210 17.300 31.313 16.236 1.00 15.64 N ATOM 0 H GLN A 210 20.750 28.559 18.999 1.00 8.74 H new ATOM 0 HA GLN A 210 18.285 27.924 18.232 1.00 8.72 H new ATOM 0 HB2 GLN A 210 20.610 28.366 16.639 1.00 10.79 H new ATOM 0 HB3 GLN A 210 19.280 27.885 15.982 1.00 10.79 H new ATOM 0 HG2 GLN A 210 19.438 30.345 17.364 1.00 12.22 H new ATOM 0 HG3 GLN A 210 19.689 30.260 15.827 1.00 12.22 H new ATOM 0 HE21 GLN A 210 17.858 31.960 16.339 1.00 15.64 H new ATOM 0 HE22 GLN A 210 16.470 31.481 16.087 1.00 15.64 H new ATOM 1419 N GLY A 211 20.437 25.718 18.508 1.00 7.73 N ATOM 1420 CA GLY A 211 20.683 24.294 18.367 1.00 8.76 C ATOM 1421 C GLY A 211 21.327 23.667 19.561 1.00 8.62 C ATOM 1422 O GLY A 211 21.867 24.350 20.435 1.00 9.00 O ATOM 0 H GLY A 211 21.014 26.150 18.977 1.00 7.73 H new ATOM 0 HA2 GLY A 211 19.841 23.845 18.192 1.00 8.76 H new ATOM 0 HA3 GLY A 211 21.248 24.148 17.592 1.00 8.76 H new ATOM 1423 N ILE A 212 21.217 22.344 19.604 1.00 7.06 N ATOM 1424 CA ILE A 212 21.878 21.506 20.605 1.00 7.18 C ATOM 1425 C ILE A 212 22.727 20.516 19.827 1.00 7.96 C ATOM 1426 O ILE A 212 22.219 19.825 18.932 1.00 7.88 O ATOM 1427 CB ILE A 212 20.870 20.761 21.468 1.00 8.87 C ATOM 1428 CG1 ILE A 212 19.998 21.764 22.244 1.00 11.48 C ATOM 1429 CG2 ILE A 212 21.598 19.811 22.456 1.00 10.31 C ATOM 1430 CD1 ILE A 212 18.727 21.076 22.730 1.00 14.35 C ATOM 0 H ILE A 212 20.746 21.896 19.041 1.00 7.06 H new ATOM 0 HA ILE A 212 22.409 22.050 21.207 1.00 7.18 H new ATOM 0 HB ILE A 212 20.301 20.228 20.890 1.00 8.87 H new ATOM 0 HG12 ILE A 212 20.493 22.119 22.999 1.00 11.48 H new ATOM 0 HG13 ILE A 212 19.771 22.516 21.675 1.00 11.48 H new ATOM 0 HG21 ILE A 212 20.943 19.344 22.998 1.00 10.31 H new ATOM 0 HG22 ILE A 212 22.123 19.166 21.957 1.00 10.31 H new ATOM 0 HG23 ILE A 212 22.183 20.328 23.031 1.00 10.31 H new ATOM 0 HD11 ILE A 212 18.181 21.712 23.218 1.00 14.35 H new ATOM 0 HD12 ILE A 212 18.229 20.741 21.968 1.00 14.35 H new ATOM 0 HD13 ILE A 212 18.961 20.337 23.313 1.00 14.35 H new ATOM 1431 N VAL A 213 24.011 20.369 20.188 1.00 7.24 N ATOM 1432 CA VAL A 213 24.882 19.387 19.514 1.00 6.91 C ATOM 1433 C VAL A 213 24.287 18.007 19.732 1.00 7.66 C ATOM 1434 O VAL A 213 24.085 17.596 20.877 1.00 7.89 O ATOM 1435 CB VAL A 213 26.297 19.461 20.098 1.00 9.19 C ATOM 1436 CG1 VAL A 213 27.223 18.463 19.399 1.00 9.95 C ATOM 1437 CG2 VAL A 213 26.869 20.874 20.007 1.00 9.32 C ATOM 0 H VAL A 213 24.394 20.821 20.812 1.00 7.24 H new ATOM 0 HA VAL A 213 24.939 19.576 18.564 1.00 6.91 H new ATOM 0 HB VAL A 213 26.238 19.226 21.037 1.00 9.19 H new ATOM 0 HG11 VAL A 213 28.112 18.524 19.781 1.00 9.95 H new ATOM 0 HG12 VAL A 213 26.880 17.564 19.520 1.00 9.95 H new ATOM 0 HG13 VAL A 213 27.264 18.668 18.452 1.00 9.95 H new ATOM 0 HG21 VAL A 213 27.763 20.886 20.384 1.00 9.32 H new ATOM 0 HG22 VAL A 213 26.907 21.149 19.078 1.00 9.32 H new ATOM 0 HG23 VAL A 213 26.301 21.486 20.502 1.00 9.32 H new ATOM 1438 N SER A 214 23.982 17.283 18.641 1.00 7.42 N ATOM 1439 CA SER A 214 23.260 16.038 18.737 1.00 7.48 C ATOM 1440 C SER A 214 24.042 14.838 18.179 1.00 10.18 C ATOM 1441 O SER A 214 24.431 13.939 18.959 1.00 11.04 O ATOM 1442 CB SER A 214 21.901 16.167 18.049 1.00 9.43 C ATOM 1443 OG SER A 214 21.087 15.012 18.236 1.00 10.54 O ATOM 0 H SER A 214 24.193 17.511 17.839 1.00 7.42 H new ATOM 0 HA SER A 214 23.131 15.859 19.682 1.00 7.48 H new ATOM 0 HB2 SER A 214 21.438 16.946 18.396 1.00 9.43 H new ATOM 0 HB3 SER A 214 22.034 16.316 17.100 1.00 9.43 H new ATOM 0 HG SER A 214 21.052 14.823 19.054 1.00 10.54 H new ATOM 1444 N TRP A 215 24.326 14.805 16.859 1.00 8.02 N ATOM 1445 CA TRP A 215 24.965 13.604 16.307 1.00 8.37 C ATOM 1446 C TRP A 215 25.638 13.908 14.995 1.00 11.19 C ATOM 1447 O TRP A 215 25.588 15.014 14.505 1.00 10.82 O ATOM 1448 CB TRP A 215 23.919 12.478 16.113 1.00 8.75 C ATOM 1449 CG TRP A 215 22.788 12.775 15.153 1.00 8.89 C ATOM 1450 CD1 TRP A 215 21.625 13.431 15.424 1.00 10.47 C ATOM 1451 CD2 TRP A 215 22.691 12.341 13.788 1.00 9.31 C ATOM 1452 NE1 TRP A 215 20.809 13.439 14.317 1.00 10.27 N ATOM 1453 CE2 TRP A 215 21.449 12.802 13.290 1.00 11.29 C ATOM 1454 CE3 TRP A 215 23.536 11.614 12.935 1.00 10.94 C ATOM 1455 CZ2 TRP A 215 21.024 12.539 11.969 1.00 10.46 C ATOM 1456 CZ3 TRP A 215 23.128 11.375 11.624 1.00 12.11 C ATOM 1457 CH2 TRP A 215 21.884 11.828 11.159 1.00 11.84 C ATOM 0 H TRP A 215 24.164 15.436 16.297 1.00 8.02 H new ATOM 0 HA TRP A 215 25.639 13.306 16.938 1.00 8.37 H new ATOM 0 HB2 TRP A 215 24.381 11.683 15.804 1.00 8.75 H new ATOM 0 HB3 TRP A 215 23.536 12.265 16.978 1.00 8.75 H new ATOM 0 HD1 TRP A 215 21.413 13.819 16.242 1.00 10.47 H new ATOM 0 HE1 TRP A 215 20.024 13.788 14.277 1.00 10.27 H new ATOM 0 HE3 TRP A 215 24.355 11.297 13.240 1.00 10.94 H new ATOM 0 HZ2 TRP A 215 20.198 12.833 11.658 1.00 10.46 H new ATOM 0 HZ3 TRP A 215 23.689 10.908 11.048 1.00 12.11 H new ATOM 0 HH2 TRP A 215 21.633 11.644 10.283 1.00 11.84 H new ATOM 1458 N GLY A 216 26.269 12.880 14.425 1.00 11.27 N ATOM 1459 CA GLY A 216 26.880 12.991 13.109 1.00 12.84 C ATOM 1460 C GLY A 216 27.597 11.695 12.801 1.00 15.32 C ATOM 1461 O GLY A 216 27.763 10.870 13.695 1.00 18.24 O ATOM 0 H GLY A 216 26.352 12.106 14.791 1.00 11.27 H new ATOM 0 HA2 GLY A 216 26.203 13.170 12.437 1.00 12.84 H new ATOM 0 HA3 GLY A 216 27.503 13.734 13.088 1.00 12.84 H new ATOM 1462 N SER A 217 28.054 11.521 11.579 1.00 14.00 N ATOM 1463 CA SER A 217 28.820 10.337 11.199 1.00 14.02 C ATOM 1464 C SER A 217 30.294 10.703 11.355 1.00 16.31 C ATOM 1465 O SER A 217 30.816 11.499 10.569 1.00 17.47 O ATOM 1466 CB SER A 217 28.473 9.957 9.770 1.00 15.84 C ATOM 1467 OG SER A 217 27.199 9.335 9.750 1.00 29.42 O ATOM 0 H SER A 217 27.933 12.083 10.939 1.00 14.00 H new ATOM 0 HA SER A 217 28.616 9.568 11.755 1.00 14.02 H new ATOM 0 HB2 SER A 217 28.469 10.746 9.206 1.00 15.84 H new ATOM 0 HB3 SER A 217 29.144 9.356 9.412 1.00 15.84 H new ATOM 0 HG SER A 217 27.196 8.720 9.177 1.00 29.42 H new ATOM 1468 N GLY A 219 30.932 10.223 12.423 1.00 14.50 N ATOM 1469 CA GLY A 219 32.294 10.636 12.745 1.00 15.30 C ATOM 1470 C GLY A 219 32.332 12.130 13.025 1.00 17.25 C ATOM 1471 O GLY A 219 31.313 12.733 13.393 1.00 16.58 O ATOM 0 H GLY A 219 30.591 9.657 12.973 1.00 14.50 H new ATOM 0 HA2 GLY A 219 32.614 10.146 13.519 1.00 15.30 H new ATOM 0 HA3 GLY A 219 32.888 10.422 12.008 1.00 15.30 H new ATOM 1472 N ACYS A 220 33.513 12.733 12.825 0.50 13.74 N ATOM 1473 N BCYS A 220 33.476 12.759 12.841 0.50 16.20 N ATOM 1474 CA ACYS A 220 33.739 14.167 13.047 0.50 13.30 C ATOM 1475 CA BCYS A 220 33.512 14.210 13.017 0.50 16.92 C ATOM 1476 C ACYS A 220 34.545 14.745 11.936 0.50 15.17 C ATOM 1477 C BCYS A 220 34.546 14.833 12.117 0.50 17.06 C ATOM 1478 O ACYS A 220 35.555 14.164 11.554 0.50 14.72 O ATOM 1479 O BCYS A 220 35.628 14.278 11.940 0.50 17.01 O ATOM 1480 CB ACYS A 220 34.447 14.421 14.373 0.50 12.60 C ATOM 1481 CB BCYS A 220 33.644 14.650 14.476 0.50 18.08 C ATOM 1482 SG ACYS A 220 33.643 13.665 15.798 0.50 16.19 S ATOM 1483 SG BCYS A 220 35.257 14.336 15.229 0.50 22.28 S ATOM 0 H ACYS A 220 34.213 12.313 12.553 0.50 16.20 H new ATOM 0 H BCYS A 220 34.221 12.389 12.622 0.50 16.20 H new ATOM 0 HA ACYS A 220 32.870 14.597 13.075 0.50 16.92 H new ATOM 0 HA BCYS A 220 32.645 14.547 12.744 0.50 16.92 H new ATOM 0 HB2ACYS A 220 35.355 14.087 14.312 0.50 18.08 H new ATOM 0 HB2BCYS A 220 33.456 15.600 14.531 0.50 18.08 H new ATOM 0 HB3ACYS A 220 34.506 15.378 14.518 0.50 18.08 H new ATOM 0 HB3BCYS A 220 32.965 14.196 14.999 0.50 18.08 H new ATOM 1484 N ALA A 221 34.156 15.928 11.466 1.00 13.82 N ATOM 1485 CA ALA A 221 34.941 16.697 10.510 1.00 13.87 C ATOM 1486 C ALA A 221 35.267 15.978 9.213 1.00 17.44 C ATOM 1487 O ALA A 221 36.210 16.370 8.538 1.00 16.97 O ATOM 1488 CB ALA A 221 36.202 17.263 11.170 1.00 15.78 C ATOM 0 H AALA A 221 33.420 16.309 11.697 0.50 13.82 H new ATOM 0 H BALA A 221 33.372 16.261 11.581 0.50 13.82 H new ATOM 0 HA ALA A 221 34.364 17.428 10.240 1.00 13.87 H new ATOM 0 HB1 ALA A 221 36.709 17.771 10.517 1.00 15.78 H new ATOM 0 HB2 ALA A 221 35.950 17.843 11.905 1.00 15.78 H new ATOM 0 HB3 ALA A 221 36.747 16.534 11.506 1.00 15.78 H new ATOM 1489 N GLN A 221A 34.472 14.965 8.846 1.00 15.57 N ATOM 1490 CA GLN A 221A 34.683 14.258 7.586 1.00 15.23 C ATOM 1491 C GLN A 221A 33.946 14.966 6.467 1.00 17.61 C ATOM 1492 O GLN A 221A 32.905 15.605 6.695 1.00 18.82 O ATOM 1493 CB GLN A 221A 34.185 12.814 7.664 1.00 16.66 C ATOM 1494 CG GLN A 221A 34.796 11.979 8.770 1.00 23.18 C ATOM 1495 CD GLN A 221A 36.292 11.860 8.658 1.00 41.61 C ATOM 1496 OE1 GLN A 221A 36.825 11.308 7.689 1.00 39.49 O ATOM 1497 NE2 GLN A 221A 37.002 12.406 9.637 1.00 26.59 N ATOM 0 H GLN A 221A 33.810 14.676 9.313 1.00 15.57 H new ATOM 0 HA GLN A 221A 35.637 14.251 7.411 1.00 15.23 H new ATOM 0 HB2 GLN A 221A 33.222 12.825 7.781 1.00 16.66 H new ATOM 0 HB3 GLN A 221A 34.362 12.380 6.815 1.00 16.66 H new ATOM 0 HG2 GLN A 221A 34.571 12.373 9.628 1.00 23.18 H new ATOM 0 HG3 GLN A 221A 34.404 11.092 8.753 1.00 23.18 H new ATOM 0 HE21 GLN A 221A 36.603 12.783 10.299 1.00 26.59 H new ATOM 0 HE22 GLN A 221A 37.861 12.383 9.610 1.00 26.59 H new ATOM 1498 N LYS A 222 34.438 14.806 5.223 1.00 16.87 N ATOM 1499 CA LYS A 222 33.808 15.407 4.059 1.00 17.35 C ATOM 1500 C LYS A 222 32.372 14.888 3.905 1.00 18.31 C ATOM 1501 O LYS A 222 32.108 13.684 4.100 1.00 17.66 O ATOM 1502 CB LYS A 222 34.631 15.089 2.794 1.00 20.49 C ATOM 1503 CG LYS A 222 34.168 15.824 1.552 1.00 24.42 C ATOM 1504 CD LYS A 222 34.900 15.338 0.299 1.00 36.12 C ATOM 1505 CE LYS A 222 34.472 16.101 -0.933 1.00 49.21 C ATOM 1506 NZ LYS A 222 35.137 15.587 -2.160 1.00 58.51 N ATOM 0 H LYS A 222 35.143 14.347 5.044 1.00 16.87 H new ATOM 0 HA LYS A 222 33.777 16.369 4.179 1.00 17.35 H new ATOM 0 HB2 LYS A 222 35.561 15.310 2.961 1.00 20.49 H new ATOM 0 HB3 LYS A 222 34.592 14.134 2.626 1.00 20.49 H new ATOM 0 HG2 LYS A 222 33.213 15.698 1.438 1.00 24.42 H new ATOM 0 HG3 LYS A 222 34.317 16.776 1.665 1.00 24.42 H new ATOM 0 HD2 LYS A 222 35.857 15.437 0.425 1.00 36.12 H new ATOM 0 HD3 LYS A 222 34.727 14.392 0.170 1.00 36.12 H new ATOM 0 HE2 LYS A 222 33.510 16.036 -1.035 1.00 49.21 H new ATOM 0 HE3 LYS A 222 34.683 17.041 -0.821 1.00 49.21 H new ATOM 0 HZ1 LYS A 222 34.864 16.057 -2.865 1.00 58.51 H new ATOM 0 HZ2 LYS A 222 36.019 15.666 -2.075 1.00 58.51 H new ATOM 0 HZ3 LYS A 222 34.926 14.730 -2.275 1.00 58.51 H new ATOM 1507 N ASN A 223 31.437 15.819 3.610 1.00 16.20 N ATOM 1508 CA ASN A 223 30.028 15.539 3.377 1.00 15.71 C ATOM 1509 C ASN A 223 29.290 14.962 4.565 1.00 18.07 C ATOM 1510 O ASN A 223 28.225 14.376 4.398 1.00 19.15 O ATOM 1511 CB ASN A 223 29.827 14.675 2.113 1.00 19.14 C ATOM 1512 CG ASN A 223 30.281 15.386 0.856 1.00 41.09 C ATOM 1513 OD1 ASN A 223 31.046 14.838 0.057 1.00 39.01 O ATOM 1514 ND2 ASN A 223 29.878 16.651 0.690 1.00 27.80 N ATOM 0 H ASN A 223 31.627 16.655 3.541 1.00 16.20 H new ATOM 0 HA ASN A 223 29.622 16.407 3.230 1.00 15.71 H new ATOM 0 HB2 ASN A 223 30.320 13.845 2.209 1.00 19.14 H new ATOM 0 HB3 ASN A 223 28.890 14.440 2.029 1.00 19.14 H new ATOM 0 HD21 ASN A 223 30.152 17.104 0.013 1.00 27.80 H new ATOM 0 HD22 ASN A 223 29.345 17.011 1.261 1.00 27.80 H new ATOM 1515 N LYS A 224 29.856 15.105 5.748 1.00 13.90 N ATOM 1516 CA LYS A 224 29.239 14.582 6.974 1.00 13.03 C ATOM 1517 C LYS A 224 29.245 15.657 8.067 1.00 14.13 C ATOM 1518 O LYS A 224 29.953 15.546 9.068 1.00 13.29 O ATOM 1519 CB LYS A 224 29.952 13.307 7.429 1.00 15.19 C ATOM 1520 CG LYS A 224 29.689 12.096 6.501 1.00 19.38 C ATOM 1521 CD LYS A 224 28.191 11.748 6.449 1.00 29.17 C ATOM 1522 CE LYS A 224 27.887 10.555 5.589 1.00 37.58 C ATOM 1523 NZ LYS A 224 26.433 10.235 5.560 1.00 37.25 N ATOM 0 H LYS A 224 30.607 15.505 5.874 1.00 13.90 H new ATOM 0 HA LYS A 224 28.315 14.349 6.792 1.00 13.03 H new ATOM 0 HB2 LYS A 224 30.907 13.474 7.470 1.00 15.19 H new ATOM 0 HB3 LYS A 224 29.664 13.086 8.329 1.00 15.19 H new ATOM 0 HG2 LYS A 224 30.008 12.295 5.607 1.00 19.38 H new ATOM 0 HG3 LYS A 224 30.191 11.328 6.817 1.00 19.38 H new ATOM 0 HD2 LYS A 224 27.873 11.579 7.350 1.00 29.17 H new ATOM 0 HD3 LYS A 224 27.699 12.514 6.114 1.00 29.17 H new ATOM 0 HE2 LYS A 224 28.197 10.723 4.685 1.00 37.58 H new ATOM 0 HE3 LYS A 224 28.379 9.787 5.920 1.00 37.58 H new ATOM 0 HZ1 LYS A 224 26.258 9.712 4.862 1.00 37.25 H new ATOM 0 HZ2 LYS A 224 26.207 9.813 6.310 1.00 37.25 H new ATOM 0 HZ3 LYS A 224 25.964 10.988 5.491 1.00 37.25 H new ATOM 1524 N PRO A 225 28.456 16.726 7.881 1.00 13.20 N ATOM 1525 CA PRO A 225 28.455 17.806 8.880 1.00 11.66 C ATOM 1526 C PRO A 225 27.738 17.365 10.147 1.00 12.17 C ATOM 1527 O PRO A 225 27.047 16.349 10.173 1.00 12.56 O ATOM 1528 CB PRO A 225 27.654 18.911 8.180 1.00 14.28 C ATOM 1529 CG PRO A 225 26.708 18.160 7.298 1.00 16.12 C ATOM 1530 CD PRO A 225 27.539 17.023 6.766 1.00 13.98 C ATOM 0 HA PRO A 225 29.346 18.078 9.151 1.00 11.66 H new ATOM 0 HB2 PRO A 225 27.181 19.467 8.819 1.00 14.28 H new ATOM 0 HB3 PRO A 225 28.231 19.498 7.666 1.00 14.28 H new ATOM 0 HG2 PRO A 225 25.939 17.837 7.794 1.00 16.12 H new ATOM 0 HG3 PRO A 225 26.369 18.719 6.581 1.00 16.12 H new ATOM 0 HD2 PRO A 225 26.992 16.255 6.538 1.00 13.98 H new ATOM 0 HD3 PRO A 225 28.021 17.276 5.963 1.00 13.98 H new ATOM 1531 N GLY A 226 27.899 18.150 11.190 1.00 12.06 N ATOM 1532 CA GLY A 226 27.189 17.863 12.425 1.00 10.94 C ATOM 1533 C GLY A 226 25.696 18.101 12.272 1.00 10.36 C ATOM 1534 O GLY A 226 25.241 18.940 11.470 1.00 9.75 O ATOM 0 H GLY A 226 28.405 18.845 11.210 1.00 12.06 H new ATOM 0 HA2 GLY A 226 27.347 16.942 12.685 1.00 10.94 H new ATOM 0 HA3 GLY A 226 27.536 18.422 13.138 1.00 10.94 H new ATOM 1535 N VAL A 227 24.922 17.343 13.054 1.00 8.79 N ATOM 1536 CA VAL A 227 23.456 17.440 13.112 1.00 8.09 C ATOM 1537 C VAL A 227 23.076 17.929 14.499 1.00 8.52 C ATOM 1538 O VAL A 227 23.646 17.480 15.519 1.00 8.85 O ATOM 1539 CB VAL A 227 22.766 16.118 12.763 1.00 9.05 C ATOM 1540 CG1 VAL A 227 21.238 16.337 12.610 1.00 9.26 C ATOM 1541 CG2 VAL A 227 23.362 15.547 11.464 1.00 9.82 C ATOM 0 H VAL A 227 25.242 16.742 13.580 1.00 8.79 H new ATOM 0 HA VAL A 227 23.148 18.070 12.442 1.00 8.09 H new ATOM 0 HB VAL A 227 22.914 15.482 13.481 1.00 9.05 H new ATOM 0 HG11 VAL A 227 20.811 15.495 12.389 1.00 9.26 H new ATOM 0 HG12 VAL A 227 20.874 16.675 13.443 1.00 9.26 H new ATOM 0 HG13 VAL A 227 21.072 16.979 11.902 1.00 9.26 H new ATOM 0 HG21 VAL A 227 22.922 14.710 11.247 1.00 9.82 H new ATOM 0 HG22 VAL A 227 23.228 16.179 10.741 1.00 9.82 H new ATOM 0 HG23 VAL A 227 24.312 15.391 11.585 1.00 9.82 H new ATOM 1542 N TYR A 228 22.141 18.879 14.529 1.00 7.26 N ATOM 1543 CA TYR A 228 21.797 19.603 15.726 1.00 7.25 C ATOM 1544 C TYR A 228 20.307 19.595 15.934 1.00 8.37 C ATOM 1545 O TYR A 228 19.527 19.680 14.976 1.00 8.76 O ATOM 1546 CB TYR A 228 22.289 21.069 15.541 1.00 9.20 C ATOM 1547 CG TYR A 228 23.780 21.120 15.365 1.00 8.41 C ATOM 1548 CD1 TYR A 228 24.615 21.096 16.461 1.00 10.30 C ATOM 1549 CD2 TYR A 228 24.360 21.057 14.096 1.00 10.34 C ATOM 1550 CE1 TYR A 228 25.991 21.049 16.323 1.00 11.81 C ATOM 1551 CE2 TYR A 228 25.740 21.009 13.943 1.00 10.46 C ATOM 1552 CZ TYR A 228 26.551 20.977 15.064 1.00 10.11 C ATOM 1553 OH TYR A 228 27.935 20.885 14.971 1.00 12.76 O ATOM 0 H TYR A 228 21.688 19.117 13.838 1.00 7.26 H new ATOM 0 HA TYR A 228 22.212 19.190 16.499 1.00 7.25 H new ATOM 0 HB2 TYR A 228 21.855 21.464 14.768 1.00 9.20 H new ATOM 0 HB3 TYR A 228 22.033 21.599 16.312 1.00 9.20 H new ATOM 0 HD1 TYR A 228 24.245 21.112 17.314 1.00 10.30 H new ATOM 0 HD2 TYR A 228 23.815 21.047 13.343 1.00 10.34 H new ATOM 0 HE1 TYR A 228 26.536 21.066 17.076 1.00 11.81 H new ATOM 0 HE2 TYR A 228 26.116 20.998 13.093 1.00 10.46 H new ATOM 0 HH TYR A 228 28.191 21.227 14.248 1.00 12.76 H new ATOM 1554 N THR A 229 19.886 19.547 17.187 1.00 7.16 N ATOM 1555 CA THR A 229 18.454 19.639 17.508 1.00 7.33 C ATOM 1556 C THR A 229 17.995 21.063 17.267 1.00 8.15 C ATOM 1557 O THR A 229 18.670 21.999 17.685 1.00 8.13 O ATOM 1558 CB THR A 229 18.211 19.300 18.962 1.00 8.83 C ATOM 1559 OG1 THR A 229 18.777 18.024 19.232 1.00 11.52 O ATOM 1560 CG2 THR A 229 16.707 19.268 19.307 1.00 12.09 C ATOM 0 H THR A 229 20.403 19.462 17.869 1.00 7.16 H new ATOM 0 HA THR A 229 17.966 19.014 16.949 1.00 7.33 H new ATOM 0 HB THR A 229 18.624 19.989 19.506 1.00 8.83 H new ATOM 0 HG1 THR A 229 18.538 17.767 19.995 1.00 11.52 H new ATOM 0 HG21 THR A 229 16.595 19.048 20.245 1.00 12.09 H new ATOM 0 HG22 THR A 229 16.316 20.138 19.130 1.00 12.09 H new ATOM 0 HG23 THR A 229 16.264 18.598 18.763 1.00 12.09 H new ATOM 1561 N LYS A 230 16.845 21.223 16.568 1.00 7.72 N ATOM 1562 CA LYS A 230 16.296 22.517 16.180 1.00 8.19 C ATOM 1563 C LYS A 230 15.495 23.084 17.352 1.00 10.12 C ATOM 1564 O LYS A 230 14.316 22.796 17.514 1.00 10.76 O ATOM 1565 CB LYS A 230 15.464 22.310 14.925 1.00 11.03 C ATOM 1566 CG LYS A 230 15.179 23.612 14.197 1.00 14.36 C ATOM 1567 CD LYS A 230 14.287 23.382 12.983 1.00 15.70 C ATOM 1568 CE LYS A 230 14.907 22.680 11.816 1.00 26.29 C ATOM 1569 NZ LYS A 230 13.859 22.328 10.805 1.00 34.75 N ATOM 0 H LYS A 230 16.364 20.559 16.308 1.00 7.72 H new ATOM 0 HA LYS A 230 16.987 23.166 15.974 1.00 8.19 H new ATOM 0 HB2 LYS A 230 15.930 21.704 14.328 1.00 11.03 H new ATOM 0 HB3 LYS A 230 14.625 21.885 15.163 1.00 11.03 H new ATOM 0 HG2 LYS A 230 14.750 24.237 14.803 1.00 14.36 H new ATOM 0 HG3 LYS A 230 16.014 24.017 13.916 1.00 14.36 H new ATOM 0 HD2 LYS A 230 13.514 22.870 13.268 1.00 15.70 H new ATOM 0 HD3 LYS A 230 13.961 24.244 12.680 1.00 15.70 H new ATOM 0 HE2 LYS A 230 15.580 23.248 11.409 1.00 26.29 H new ATOM 0 HE3 LYS A 230 15.358 21.876 12.117 1.00 26.29 H new ATOM 0 HZ1 LYS A 230 14.216 21.812 10.174 1.00 34.75 H new ATOM 0 HZ2 LYS A 230 13.195 21.890 11.205 1.00 34.75 H new ATOM 0 HZ3 LYS A 230 13.542 23.072 10.434 1.00 34.75 H new ATOM 1570 N VAL A 231 16.147 23.873 18.190 1.00 7.75 N ATOM 1571 CA VAL A 231 15.556 24.366 19.445 1.00 8.36 C ATOM 1572 C VAL A 231 14.271 25.173 19.257 1.00 9.48 C ATOM 1573 O VAL A 231 13.377 25.081 20.092 1.00 9.43 O ATOM 1574 CB VAL A 231 16.607 25.173 20.244 1.00 9.92 C ATOM 1575 CG1 VAL A 231 15.988 25.830 21.488 1.00 10.63 C ATOM 1576 CG2 VAL A 231 17.752 24.258 20.679 1.00 10.17 C ATOM 0 H VAL A 231 16.951 24.145 18.054 1.00 7.75 H new ATOM 0 HA VAL A 231 15.292 23.581 19.950 1.00 8.36 H new ATOM 0 HB VAL A 231 16.943 25.872 19.661 1.00 9.92 H new ATOM 0 HG11 VAL A 231 16.671 26.327 21.965 1.00 10.63 H new ATOM 0 HG12 VAL A 231 15.280 26.434 21.216 1.00 10.63 H new ATOM 0 HG13 VAL A 231 15.622 25.144 22.068 1.00 10.63 H new ATOM 0 HG21 VAL A 231 18.405 24.772 21.179 1.00 10.17 H new ATOM 0 HG22 VAL A 231 17.403 23.547 21.239 1.00 10.17 H new ATOM 0 HG23 VAL A 231 18.175 23.873 19.895 1.00 10.17 H new ATOM 1577 N CYS A 232 14.168 25.929 18.148 1.00 9.19 N ATOM 1578 CA CYS A 232 12.996 26.763 17.943 1.00 10.65 C ATOM 1579 C CYS A 232 11.725 25.937 17.935 1.00 12.59 C ATOM 1580 O CYS A 232 10.672 26.466 18.327 1.00 14.87 O ATOM 1581 CB CYS A 232 13.133 27.607 16.678 1.00 13.29 C ATOM 1582 SG CYS A 232 13.234 26.641 15.151 1.00 18.33 S ATOM 0 H CYS A 232 14.757 25.966 17.523 1.00 9.19 H new ATOM 0 HA CYS A 232 12.933 27.376 18.692 1.00 10.65 H new ATOM 0 HB2 CYS A 232 12.375 28.209 16.619 1.00 13.29 H new ATOM 0 HB3 CYS A 232 13.927 28.158 16.753 1.00 13.29 H new ATOM 1583 N ASN A 233 11.786 24.641 17.556 1.00 9.88 N ATOM 1584 CA ASN A 233 10.600 23.796 17.551 1.00 10.35 C ATOM 1585 C ASN A 233 10.138 23.400 18.949 1.00 12.13 C ATOM 1586 O ASN A 233 9.054 22.836 19.087 1.00 13.56 O ATOM 1587 CB ASN A 233 10.875 22.525 16.777 1.00 11.06 C ATOM 1588 CG ASN A 233 10.991 22.708 15.288 1.00 15.35 C ATOM 1589 OD1 ASN A 233 10.936 23.831 14.776 1.00 15.87 O ATOM 1590 ND2 ASN A 233 11.207 21.608 14.567 1.00 13.99 N ATOM 0 H ASN A 233 12.507 24.247 17.302 1.00 9.88 H new ATOM 0 HA ASN A 233 9.898 24.322 17.137 1.00 10.35 H new ATOM 0 HB2 ASN A 233 11.698 22.131 17.107 1.00 11.06 H new ATOM 0 HB3 ASN A 233 10.164 21.890 16.958 1.00 11.06 H new ATOM 0 HD21 ASN A 233 11.314 21.666 13.716 1.00 13.99 H new ATOM 0 HD22 ASN A 233 11.240 20.840 14.953 1.00 13.99 H new ATOM 1591 N TYR A 234 10.943 23.676 19.978 1.00 9.48 N ATOM 1592 CA TYR A 234 10.690 23.223 21.347 1.00 9.22 C ATOM 1593 C TYR A 234 10.446 24.327 22.317 1.00 10.04 C ATOM 1594 O TYR A 234 10.287 24.042 23.500 1.00 10.97 O ATOM 1595 CB TYR A 234 11.877 22.357 21.839 1.00 9.89 C ATOM 1596 CG TYR A 234 12.056 21.130 20.983 1.00 9.65 C ATOM 1597 CD1 TYR A 234 11.221 20.030 21.132 1.00 10.87 C ATOM 1598 CD2 TYR A 234 12.981 21.110 19.945 1.00 9.89 C ATOM 1599 CE1 TYR A 234 11.327 18.922 20.293 1.00 11.64 C ATOM 1600 CE2 TYR A 234 13.080 20.014 19.084 1.00 9.48 C ATOM 1601 CZ TYR A 234 12.240 18.934 19.259 1.00 9.50 C ATOM 1602 OH TYR A 234 12.347 17.860 18.418 1.00 11.15 O ATOM 0 H TYR A 234 11.663 24.139 19.898 1.00 9.48 H new ATOM 0 HA TYR A 234 9.871 22.704 21.312 1.00 9.22 H new ATOM 0 HB2 TYR A 234 12.691 22.884 21.826 1.00 9.89 H new ATOM 0 HB3 TYR A 234 11.726 22.092 22.760 1.00 9.89 H new ATOM 0 HD1 TYR A 234 10.579 20.033 21.805 1.00 10.87 H new ATOM 0 HD2 TYR A 234 13.544 21.840 19.822 1.00 9.89 H new ATOM 0 HE1 TYR A 234 10.785 18.179 20.430 1.00 11.64 H new ATOM 0 HE2 TYR A 234 13.708 20.013 18.398 1.00 9.48 H new ATOM 0 HH TYR A 234 11.738 17.307 18.590 1.00 11.15 H new ATOM 1603 N VAL A 235 10.419 25.579 21.858 1.00 10.32 N ATOM 1604 CA VAL A 235 10.266 26.698 22.785 1.00 10.78 C ATOM 1605 C VAL A 235 8.960 26.618 23.582 1.00 11.15 C ATOM 1606 O VAL A 235 9.010 26.874 24.784 1.00 11.24 O ATOM 1607 CB VAL A 235 10.496 28.050 22.087 1.00 14.05 C ATOM 1608 CG1 VAL A 235 10.187 29.222 23.019 1.00 15.91 C ATOM 1609 CG2 VAL A 235 11.940 28.152 21.576 1.00 13.97 C ATOM 0 H VAL A 235 10.486 25.798 21.029 1.00 10.32 H new ATOM 0 HA VAL A 235 10.968 26.627 23.451 1.00 10.78 H new ATOM 0 HB VAL A 235 9.888 28.097 21.333 1.00 14.05 H new ATOM 0 HG11 VAL A 235 10.341 30.057 22.551 1.00 15.91 H new ATOM 0 HG12 VAL A 235 9.260 29.176 23.301 1.00 15.91 H new ATOM 0 HG13 VAL A 235 10.763 29.177 23.798 1.00 15.91 H new ATOM 0 HG21 VAL A 235 12.069 29.008 21.139 1.00 13.97 H new ATOM 0 HG22 VAL A 235 12.554 28.075 22.323 1.00 13.97 H new ATOM 0 HG23 VAL A 235 12.111 27.437 20.943 1.00 13.97 H new ATOM 1610 N SER A 236 7.839 26.224 22.956 1.00 11.26 N ATOM 1611 CA SER A 236 6.577 26.097 23.698 1.00 12.50 C ATOM 1612 C SER A 236 6.685 25.016 24.784 1.00 13.41 C ATOM 1613 O SER A 236 6.315 25.261 25.920 1.00 12.80 O ATOM 1614 CB SER A 236 5.430 25.765 22.756 1.00 17.96 C ATOM 1615 OG SER A 236 5.233 26.813 21.823 1.00 31.41 O ATOM 0 H SER A 236 7.790 26.030 22.120 1.00 11.26 H new ATOM 0 HA SER A 236 6.398 26.950 24.124 1.00 12.50 H new ATOM 0 HB2 SER A 236 5.620 24.938 22.286 1.00 17.96 H new ATOM 0 HB3 SER A 236 4.617 25.622 23.266 1.00 17.96 H new ATOM 0 HG SER A 236 5.351 26.521 21.044 1.00 31.41 H new ATOM 1616 N TRP A 237 7.283 23.862 24.457 1.00 10.39 N ATOM 1617 CA TRP A 237 7.471 22.801 25.444 1.00 10.29 C ATOM 1618 C TRP A 237 8.454 23.270 26.539 1.00 10.65 C ATOM 1619 O TRP A 237 8.180 23.052 27.726 1.00 10.12 O ATOM 1620 CB TRP A 237 7.984 21.520 24.774 1.00 9.69 C ATOM 1621 CG TRP A 237 8.398 20.448 25.756 1.00 9.24 C ATOM 1622 CD1 TRP A 237 7.573 19.640 26.488 1.00 11.53 C ATOM 1623 CD2 TRP A 237 9.730 20.117 26.141 1.00 8.74 C ATOM 1624 NE1 TRP A 237 8.319 18.793 27.277 1.00 10.85 N ATOM 1625 CE2 TRP A 237 9.650 19.067 27.087 1.00 9.73 C ATOM 1626 CE3 TRP A 237 10.994 20.608 25.780 1.00 9.90 C ATOM 1627 CZ2 TRP A 237 10.789 18.467 27.635 1.00 9.96 C ATOM 1628 CZ3 TRP A 237 12.120 20.006 26.323 1.00 10.45 C ATOM 1629 CH2 TRP A 237 12.015 18.949 27.235 1.00 10.66 C ATOM 0 H TRP A 237 7.584 23.679 23.672 1.00 10.39 H new ATOM 0 HA TRP A 237 6.615 22.603 25.854 1.00 10.29 H new ATOM 0 HB2 TRP A 237 7.291 21.167 24.195 1.00 9.69 H new ATOM 0 HB3 TRP A 237 8.741 21.740 24.209 1.00 9.69 H new ATOM 0 HD1 TRP A 237 6.644 19.660 26.458 1.00 11.53 H new ATOM 0 HE1 TRP A 237 8.002 18.191 27.803 1.00 10.85 H new ATOM 0 HE3 TRP A 237 11.075 21.322 25.189 1.00 9.90 H new ATOM 0 HZ2 TRP A 237 10.721 17.769 28.246 1.00 9.96 H new ATOM 0 HZ3 TRP A 237 12.963 20.311 26.076 1.00 10.45 H new ATOM 0 HH2 TRP A 237 12.789 18.565 27.578 1.00 10.66 H new ATOM 1630 N ILE A 238 9.548 23.945 26.166 1.00 9.19 N ATOM 1631 CA ILE A 238 10.473 24.394 27.196 1.00 8.67 C ATOM 1632 C ILE A 238 9.791 25.376 28.140 1.00 11.38 C ATOM 1633 O ILE A 238 9.856 25.236 29.367 1.00 10.83 O ATOM 1634 CB ILE A 238 11.719 25.056 26.567 1.00 10.86 C ATOM 1635 CG1 ILE A 238 12.565 24.021 25.835 1.00 10.54 C ATOM 1636 CG2 ILE A 238 12.528 25.774 27.628 1.00 12.18 C ATOM 1637 CD1 ILE A 238 13.649 24.668 24.895 1.00 12.51 C ATOM 0 H ILE A 238 9.762 24.143 25.357 1.00 9.19 H new ATOM 0 HA ILE A 238 10.755 23.615 27.701 1.00 8.67 H new ATOM 0 HB ILE A 238 11.426 25.713 25.917 1.00 10.86 H new ATOM 0 HG12 ILE A 238 13.006 23.452 26.485 1.00 10.54 H new ATOM 0 HG13 ILE A 238 11.985 23.451 25.307 1.00 10.54 H new ATOM 0 HG21 ILE A 238 13.306 26.184 27.219 1.00 12.18 H new ATOM 0 HG22 ILE A 238 11.982 26.460 28.043 1.00 12.18 H new ATOM 0 HG23 ILE A 238 12.815 25.138 28.302 1.00 12.18 H new ATOM 0 HD11 ILE A 238 14.157 23.968 24.456 1.00 12.51 H new ATOM 0 HD12 ILE A 238 13.211 25.217 24.226 1.00 12.51 H new ATOM 0 HD13 ILE A 238 14.248 25.218 25.423 1.00 12.51 H new ATOM 1638 N LYS A 239 9.099 26.369 27.564 1.00 10.46 N ATOM 1639 CA LYS A 239 8.481 27.401 28.409 1.00 11.44 C ATOM 1640 C LYS A 239 7.408 26.830 29.311 1.00 12.55 C ATOM 1641 O LYS A 239 7.353 27.173 30.511 1.00 13.54 O ATOM 1642 CB LYS A 239 7.884 28.491 27.529 1.00 13.57 C ATOM 1643 CG LYS A 239 8.971 29.384 26.939 1.00 17.71 C ATOM 1644 CD LYS A 239 8.377 30.436 25.991 1.00 23.99 C ATOM 1645 CE LYS A 239 9.369 31.539 25.721 1.00 43.42 C ATOM 1646 NZ LYS A 239 8.921 32.420 24.608 1.00 57.59 N ATOM 0 H LYS A 239 8.978 26.462 26.718 1.00 10.46 H new ATOM 0 HA LYS A 239 9.175 27.772 28.977 1.00 11.44 H new ATOM 0 HB2 LYS A 239 7.371 28.086 26.812 1.00 13.57 H new ATOM 0 HB3 LYS A 239 7.268 29.029 28.050 1.00 13.57 H new ATOM 0 HG2 LYS A 239 9.453 29.827 27.655 1.00 17.71 H new ATOM 0 HG3 LYS A 239 9.614 28.839 26.459 1.00 17.71 H new ATOM 0 HD2 LYS A 239 8.120 30.015 25.156 1.00 23.99 H new ATOM 0 HD3 LYS A 239 7.571 30.809 26.380 1.00 23.99 H new ATOM 0 HE2 LYS A 239 9.491 32.069 26.524 1.00 43.42 H new ATOM 0 HE3 LYS A 239 10.231 31.153 25.502 1.00 43.42 H new ATOM 0 HZ1 LYS A 239 9.607 32.587 24.066 1.00 57.59 H new ATOM 0 HZ2 LYS A 239 8.274 32.015 24.150 1.00 57.59 H new ATOM 0 HZ3 LYS A 239 8.613 33.186 24.941 1.00 57.59 H new ATOM 1647 N GLN A 240 6.574 25.929 28.788 1.00 11.69 N ATOM 1648 CA GLN A 240 5.506 25.315 29.580 1.00 11.98 C ATOM 1649 C GLN A 240 6.066 24.446 30.669 1.00 13.92 C ATOM 1650 O GLN A 240 5.540 24.432 31.789 1.00 13.54 O ATOM 1651 CB GLN A 240 4.568 24.508 28.681 1.00 15.17 C ATOM 1652 CG GLN A 240 3.592 25.410 27.935 1.00 29.45 C ATOM 1653 CD GLN A 240 2.925 24.793 26.728 1.00 57.33 C ATOM 1654 OE1 GLN A 240 2.565 23.611 26.703 1.00 55.77 O ATOM 1655 NE2 GLN A 240 2.676 25.615 25.720 1.00 53.47 N ATOM 0 H GLN A 240 6.611 25.659 27.972 1.00 11.69 H new ATOM 0 HA GLN A 240 4.999 26.028 29.999 1.00 11.98 H new ATOM 0 HB2 GLN A 240 5.090 23.997 28.043 1.00 15.17 H new ATOM 0 HB3 GLN A 240 4.074 23.869 29.218 1.00 15.17 H new ATOM 0 HG2 GLN A 240 2.903 25.696 28.555 1.00 29.45 H new ATOM 0 HG3 GLN A 240 4.066 26.207 27.650 1.00 29.45 H new ATOM 0 HE21 GLN A 240 2.936 26.434 25.759 1.00 53.47 H new ATOM 0 HE22 GLN A 240 2.254 25.330 25.027 1.00 53.47 H new ATOM 1656 N THR A 241 7.129 23.689 30.352 1.00 11.65 N ATOM 1657 CA THR A 241 7.746 22.814 31.328 1.00 10.84 C ATOM 1658 C THR A 241 8.375 23.591 32.445 1.00 13.93 C ATOM 1659 O THR A 241 8.134 23.269 33.615 1.00 14.37 O ATOM 1660 CB THR A 241 8.708 21.856 30.637 1.00 12.46 C ATOM 1661 OG1 THR A 241 7.978 21.091 29.688 1.00 11.20 O ATOM 1662 CG2 THR A 241 9.445 20.932 31.642 1.00 11.68 C ATOM 0 H THR A 241 7.498 23.676 29.575 1.00 11.65 H new ATOM 0 HA THR A 241 7.059 22.272 31.748 1.00 10.84 H new ATOM 0 HB THR A 241 9.396 22.375 30.192 1.00 12.46 H new ATOM 0 HG1 THR A 241 7.912 21.523 28.971 1.00 11.20 H new ATOM 0 HG21 THR A 241 10.044 20.342 31.159 1.00 11.68 H new ATOM 0 HG22 THR A 241 9.956 21.473 32.264 1.00 11.68 H new ATOM 0 HG23 THR A 241 8.796 20.403 32.132 1.00 11.68 H new ATOM 1663 N AILE A 242 9.139 24.634 32.143 0.50 11.96 N ATOM 1664 N BILE A 242 9.146 24.631 32.104 0.50 12.10 N ATOM 1665 CA AILE A 242 9.734 25.432 33.220 0.50 12.28 C ATOM 1666 CA BILE A 242 9.819 25.456 33.107 0.50 12.60 C ATOM 1667 C AILE A 242 8.643 26.085 34.059 0.50 16.50 C ATOM 1668 C BILE A 242 8.861 26.364 33.908 0.50 16.45 C ATOM 1669 O AILE A 242 8.694 26.057 35.299 0.50 16.68 O ATOM 1670 O BILE A 242 9.229 26.785 35.003 0.50 16.50 O ATOM 1671 CB AILE A 242 10.672 26.503 32.621 0.50 14.72 C ATOM 1672 CB BILE A 242 11.121 26.131 32.576 0.50 15.07 C ATOM 1673 CG1AILE A 242 11.976 25.849 32.133 0.50 14.69 C ATOM 1674 CG1BILE A 242 10.812 27.325 31.666 0.50 14.58 C ATOM 1675 CG2AILE A 242 10.939 27.643 33.638 0.50 14.56 C ATOM 1676 CG2BILE A 242 12.025 25.097 31.890 0.50 13.33 C ATOM 1677 CD1AILE A 242 12.873 26.768 31.341 0.50 18.01 C ATOM 1678 CD1BILE A 242 12.007 28.147 31.173 0.50 19.28 C ATOM 0 H AILE A 242 9.324 24.895 31.345 0.50 12.10 H new ATOM 0 H BILE A 242 9.291 24.874 31.292 0.50 12.10 H new ATOM 0 HA AILE A 242 10.253 24.849 33.796 0.50 12.60 H new ATOM 0 HA BILE A 242 10.148 24.845 33.785 0.50 12.60 H new ATOM 0 HB AILE A 242 10.237 26.908 31.854 0.50 15.07 H new ATOM 0 HB BILE A 242 11.607 26.486 33.336 0.50 15.07 H new ATOM 0 HG12AILE A 242 12.467 25.518 32.901 0.50 14.58 H new ATOM 0 HG12BILE A 242 10.330 26.997 30.890 0.50 14.58 H new ATOM 0 HG13AILE A 242 11.754 25.080 31.585 0.50 14.58 H new ATOM 0 HG13BILE A 242 10.212 27.920 32.142 0.50 14.58 H new ATOM 0 HG21AILE A 242 11.529 28.301 33.239 0.50 13.33 H new ATOM 0 HG21BILE A 242 12.829 25.533 31.566 0.50 13.33 H new ATOM 0 HG22AILE A 242 10.100 28.066 33.878 0.50 13.33 H new ATOM 0 HG22BILE A 242 12.267 24.406 32.526 0.50 13.33 H new ATOM 0 HG23AILE A 242 11.355 27.276 34.434 0.50 13.33 H new ATOM 0 HG23BILE A 242 11.552 24.698 31.143 0.50 13.33 H new ATOM 0 HD11AILE A 242 13.671 26.287 31.070 0.50 19.28 H new ATOM 0 HD11BILE A 242 11.692 28.871 30.609 0.50 19.28 H new ATOM 0 HD12AILE A 242 12.401 27.082 30.554 0.50 19.28 H new ATOM 0 HD12BILE A 242 12.483 28.514 31.934 0.50 19.28 H new ATOM 0 HD13AILE A 242 13.125 27.527 31.890 0.50 19.28 H new ATOM 0 HD13BILE A 242 12.604 27.577 30.663 0.50 19.28 H new ATOM 1679 N ALA A 243 7.628 26.642 33.380 1.00 15.57 N ATOM 1680 CA ALA A 243 6.555 27.414 34.062 1.00 17.47 C ATOM 1681 C ALA A 243 5.849 26.562 35.085 1.00 21.43 C ATOM 1682 O ALA A 243 5.252 27.098 36.014 1.00 23.75 O ATOM 1683 CB ALA A 243 5.541 27.941 33.052 1.00 18.45 C ATOM 0 H AALA A 243 7.537 26.588 32.527 0.50 15.57 H new ATOM 0 H BALA A 243 7.397 26.376 32.596 0.50 15.57 H new ATOM 0 HA ALA A 243 6.974 28.165 34.511 1.00 17.47 H new ATOM 0 HB1 ALA A 243 4.851 28.440 33.516 1.00 18.45 H new ATOM 0 HB2 ALA A 243 5.988 28.522 32.417 1.00 18.45 H new ATOM 0 HB3 ALA A 243 5.138 27.196 32.579 1.00 18.45 H new ATOM 1684 N SER A 244 5.896 25.233 34.919 1.00 18.89 N ATOM 1685 CA SER A 244 5.226 24.339 35.829 1.00 19.00 C ATOM 1686 C SER A 244 6.078 23.605 36.855 1.00 25.37 C ATOM 1687 O SER A 244 5.557 23.294 37.919 1.00 28.89 O ATOM 1688 CB SER A 244 4.324 23.379 35.071 1.00 24.86 C ATOM 1689 OG SER A 244 3.308 24.097 34.389 1.00 35.69 O ATOM 0 H SER A 244 6.316 24.842 34.279 1.00 18.89 H new ATOM 0 HA SER A 244 4.702 24.938 36.383 1.00 19.00 H new ATOM 0 HB2 SER A 244 4.848 22.865 34.437 1.00 24.86 H new ATOM 0 HB3 SER A 244 3.924 22.746 35.687 1.00 24.86 H new ATOM 0 HG SER A 244 2.816 23.559 33.972 1.00 35.69 H new ATOM 1690 N ASN A 245 7.370 23.337 36.553 1.00 19.28 N ATOM 1691 CA ASN A 245 8.286 22.504 37.345 1.00 17.41 C ATOM 1692 C ASN A 245 9.275 23.229 38.244 1.00 24.90 C ATOM 1693 O ASN A 245 9.412 24.452 38.118 1.00 29.12 O ATOM 1694 CB ASN A 245 9.043 21.566 36.413 1.00 17.64 C ATOM 1695 CG ASN A 245 8.195 20.462 35.890 1.00 17.62 C ATOM 1696 OD1 ASN A 245 8.159 19.350 36.454 1.00 19.92 O ATOM 1697 ND2 ASN A 245 7.495 20.737 34.819 1.00 14.36 N ATOM 1698 OXT ASN A 245 9.989 22.534 38.998 1.00 32.24 O ATOM 0 H ASN A 245 7.745 23.655 35.847 1.00 19.28 H new ATOM 0 HA ASN A 245 7.707 22.031 37.963 1.00 17.41 H new ATOM 0 HB2 ASN A 245 9.399 22.075 35.668 1.00 17.64 H new ATOM 0 HB3 ASN A 245 9.801 21.189 36.887 1.00 17.64 H new ATOM 0 HD21 ASN A 245 6.983 20.138 34.475 1.00 14.36 H new ATOM 0 HD22 ASN A 245 7.547 21.516 34.459 1.00 14.36 H new TER 1699 ASN A 245 HETATM 1700 S DMS A 301 13.384 4.133 20.892 1.00 23.49 S HETATM 1701 O DMS A 301 12.525 5.123 21.639 1.00 21.70 O HETATM 1702 C1 DMS A 301 14.004 3.103 22.238 1.00 23.95 C HETATM 1703 C2 DMS A 301 12.106 3.041 20.195 1.00 25.17 C HETATM 0 H23 DMS A 301 12.528 2.339 19.676 1.00 25.17 H new HETATM 0 H22 DMS A 301 11.591 2.645 20.915 1.00 25.17 H new HETATM 0 H21 DMS A 301 11.517 3.556 19.622 1.00 25.17 H new HETATM 0 H13 DMS A 301 14.582 2.413 21.878 1.00 23.95 H new HETATM 0 H12 DMS A 301 14.506 3.652 22.861 1.00 23.95 H new HETATM 0 H11 DMS A 301 13.258 2.690 22.700 1.00 23.95 H new HETATM 1704 S DMS A 302 38.192 20.150 38.981 1.00 18.21 S HETATM 1705 O DMS A 302 36.903 20.735 39.269 1.00 17.98 O HETATM 1706 C1 DMS A 302 38.874 19.604 40.595 1.00 19.65 C HETATM 1707 C2 DMS A 302 37.964 18.481 38.375 1.00 17.35 C HETATM 0 H23 DMS A 302 38.825 18.103 38.136 1.00 17.35 H new HETATM 0 H22 DMS A 302 37.554 17.939 39.067 1.00 17.35 H new HETATM 0 H21 DMS A 302 37.390 18.496 37.593 1.00 17.35 H new HETATM 0 H13 DMS A 302 39.720 20.050 40.757 1.00 19.65 H new HETATM 0 H12 DMS A 302 38.250 19.829 41.303 1.00 19.65 H new HETATM 0 H11 DMS A 302 39.013 18.644 40.580 1.00 19.65 H new HETATM 1708 S SO4 A 303 15.152 12.279 2.606 0.50 27.56 S HETATM 1709 O1 SO4 A 303 16.284 11.394 2.468 0.50 31.64 O HETATM 1710 O2 SO4 A 303 15.127 13.211 1.470 0.50 33.97 O HETATM 1711 O3 SO4 A 303 15.280 13.047 3.847 0.50 32.24 O HETATM 1712 O4 SO4 A 303 13.906 11.523 2.625 0.50 33.47 O HETATM 1713 CA CA A 304 37.437 24.681 36.329 1.00 11.93 CA2+ HETATM 1714 N1 6W4 A 305 25.100 10.292 20.229 1.00 12.66 N HETATM 1715 N3 6W4 A 305 24.116 8.922 18.819 1.00 16.85 N HETATM 1716 C4 6W4 A 305 23.616 8.735 20.137 1.00 17.73 C HETATM 1717 C5 6W4 A 305 24.240 9.594 20.955 1.00 15.53 C HETATM 1718 C7 6W4 A 305 22.544 7.703 20.404 1.00 23.98 C HETATM 1719 C15 6W4 A 305 26.030 11.309 20.662 1.00 11.10 C HETATM 1720 C17 6W4 A 305 27.191 11.567 19.676 1.00 12.01 C HETATM 1721 C21 6W4 A 305 27.990 11.871 21.933 1.00 10.81 C HETATM 1722 C26 6W4 A 305 29.217 11.179 22.461 1.00 11.17 C HETATM 1723 N2 6W4 A 305 25.015 9.902 18.950 1.00 16.53 N HETATM 1724 C9 6W4 A 305 22.876 6.620 21.456 1.00 27.17 C HETATM 1725 C12 6W4 A 305 21.776 7.666 21.742 1.00 28.19 C HETATM 1726 N20 6W4 A 305 28.087 12.290 20.562 1.00 10.31 N HETATM 1727 C23 6W4 A 305 26.825 10.857 21.898 1.00 10.79 C HETATM 1728 O27 6W4 A 305 29.721 10.213 21.890 1.00 12.82 O HETATM 1729 N28 6W4 A 305 29.653 11.693 23.623 1.00 11.65 N HETATM 1730 C30 6W4 A 305 30.679 11.041 24.433 1.00 12.86 C HETATM 1731 C33 6W4 A 305 29.962 10.929 25.816 1.00 13.71 C HETATM 1732 C35 6W4 A 305 28.565 10.273 25.746 1.00 12.21 C HETATM 1733 C36 6W4 A 305 28.286 9.107 25.018 1.00 13.29 C HETATM 1734 C38 6W4 A 305 26.972 8.626 24.904 1.00 14.72 C HETATM 1735 C40 6W4 A 305 25.940 9.295 25.581 1.00 13.24 C HETATM 1736 C42 6W4 A 305 26.195 10.473 26.279 1.00 12.50 C HETATM 1737 C44 6W4 A 305 27.498 10.958 26.345 1.00 12.60 C HETATM 1738 C46 6W4 A 305 30.840 10.295 26.908 1.00 14.96 C HETATM 1739 C47 6W4 A 305 31.857 11.064 27.485 1.00 16.47 C HETATM 1740 C49 6W4 A 305 32.681 10.528 28.489 1.00 17.95 C HETATM 1741 C51 6W4 A 305 32.433 9.232 28.951 1.00 21.99 C HETATM 1742 C53 6W4 A 305 31.395 8.465 28.406 1.00 25.02 C HETATM 1743 C55 6W4 A 305 30.597 8.998 27.383 1.00 21.50 C HETATM 1744 C57 6W4 A 305 28.842 13.387 20.291 1.00 11.72 C HETATM 1745 O58 6W4 A 305 29.432 14.004 21.181 1.00 11.99 O HETATM 1746 C59 6W4 A 305 28.945 13.959 18.896 1.00 10.60 C HETATM 1747 C60 6W4 A 305 29.089 13.090 17.792 1.00 12.04 C HETATM 1748 C62 6W4 A 305 29.188 13.616 16.493 1.00 11.69 C HETATM 1749 C64 6W4 A 305 29.110 15.003 16.305 1.00 11.90 C HETATM 1750 C65 6W4 A 305 28.959 15.875 17.397 1.00 12.47 C HETATM 1751 C67 6W4 A 305 28.908 15.341 18.702 1.00 11.13 C HETATM 1752 C69 6W4 A 305 29.167 15.567 14.882 1.00 13.93 C HETATM 1753 N72A6W4 A 305 30.522 15.489 14.339 0.50 10.85 N HETATM 1754 N72B6W4 A 305 29.335 17.019 14.830 0.50 16.36 N HETATM 1755 O HOH A 401 34.415 33.513 20.155 1.00 33.68 O HETATM 1756 O HOH A 402 26.283 8.422 7.612 1.00 30.55 O HETATM 1757 O HOH A 403 8.936 27.969 37.212 1.00 37.09 O HETATM 1758 O HOH A 404 3.592 29.006 36.021 1.00 29.83 O HETATM 1759 O HOH A 405 11.215 26.225 37.870 1.00 30.88 O HETATM 1760 O HOH A 406 40.178 17.555 30.090 1.00 27.62 O HETATM 1761 O HOH A 407 36.840 23.321 6.804 1.00 47.77 O HETATM 1762 O HOH A 408 23.496 6.962 17.282 1.00 39.15 O HETATM 1763 O HOH A 409 17.435 20.914 8.089 1.00 26.80 O HETATM 1764 O HOH A 410 41.754 28.506 31.870 1.00 28.31 O HETATM 1765 O HOH A 411 29.284 21.160 12.776 1.00 18.66 O HETATM 1766 O HOH A 412 32.591 41.211 34.426 1.00 25.18 O HETATM 1767 O HOH A 413 43.494 26.950 41.129 1.00 29.80 O HETATM 1768 O HOH A 414 13.693 6.883 23.173 1.00 12.97 O HETATM 1769 O HOH A 415 33.229 11.325 4.144 1.00 31.78 O HETATM 1770 O HOH A 416 14.714 29.242 42.944 1.00 40.66 O HETATM 1771 O HOH A 417 24.898 37.216 41.261 1.00 39.10 O HETATM 1772 O HOH A 418 16.073 9.069 1.252 1.00 46.11 O HETATM 1773 O HOH A 419 37.645 17.237 27.506 1.00 26.03 O HETATM 1774 O HOH A 420 16.517 31.741 28.170 1.00 21.45 O HETATM 1775 O HOH A 421 15.843 22.065 45.303 1.00 41.12 O HETATM 1776 O HOH A 422 37.529 26.740 35.226 1.00 14.65 O HETATM 1777 O HOH A 423 5.321 15.147 22.282 1.00 37.72 O HETATM 1778 O HOH A 424 16.299 26.536 16.271 1.00 12.02 O HETATM 1779 O HOH A 425 40.933 19.974 11.107 1.00 30.08 O HETATM 1780 O HOH A 426 29.423 6.343 34.817 1.00 43.73 O HETATM 1781 O HOH A 427 23.262 27.942 43.988 1.00 22.70 O HETATM 1782 O HOH A 428 31.337 17.745 6.762 1.00 23.50 O HETATM 1783 O HOH A 429 29.330 8.850 14.413 1.00 24.97 O HETATM 1784 O HOH A 430 27.172 12.384 2.991 1.00 25.13 O HETATM 1785 O HOH A 431 19.630 7.904 24.557 1.00 13.54 O HETATM 1786 O HOH A 432 11.775 8.630 15.210 1.00 19.68 O HETATM 1787 O HOH A 433 16.979 10.049 12.215 1.00 15.47 O HETATM 1788 O HOH A 434 15.206 22.176 42.217 1.00 43.28 O HETATM 1789 O HOH A 435 20.546 37.302 23.701 1.00 41.49 O HETATM 1790 O HOH A 436 22.367 23.092 25.027 1.00 12.20 O HETATM 1791 O HOH A 437 33.655 29.931 42.306 1.00 28.43 O HETATM 1792 O HOH A 438 14.346 35.519 23.146 1.00 37.13 O HETATM 1793 O HOH A 439 31.758 30.698 32.043 1.00 16.68 O HETATM 1794 O HOH A 440 41.076 29.146 27.810 1.00 15.91 O HETATM 1795 O HOH A 441 9.950 5.785 21.282 1.00 34.34 O HETATM 1796 O HOH A 442 37.686 16.428 35.983 1.00 37.91 O HETATM 1797 O HOH A 443 27.680 35.889 41.307 1.00 33.66 O HETATM 1798 O HOH A 444 41.345 20.449 16.039 1.00 20.23 O HETATM 1799 O HOH A 445 18.179 3.149 21.373 1.00 21.20 O HETATM 1800 O HOH A 446 17.366 13.100 5.555 1.00 14.45 O HETATM 1801 O HOH A 447 19.328 13.256 36.157 1.00 25.07 O HETATM 1802 O HOH A 448 16.775 4.734 25.011 1.00 20.50 O HETATM 1803 O HOH A 449 35.470 12.830 30.641 1.00 31.42 O HETATM 1804 O HOH A 450 20.018 33.581 41.190 1.00 36.24 O HETATM 1805 O HOH A 451 31.147 36.275 29.463 1.00 16.36 O HETATM 1806 O HOH A 452 25.852 28.758 43.101 1.00 24.68 O HETATM 1807 O HOH A 453 18.726 33.616 10.889 1.00 37.46 O HETATM 1808 O HOH A 454 38.650 28.582 26.502 1.00 11.25 O HETATM 1809 O HOH A 455 22.842 23.610 45.670 1.00 34.83 O HETATM 1810 O HOH A 456 14.807 25.545 44.291 1.00 32.50 O HETATM 1811 O HOH A 457 37.313 34.848 33.508 1.00 28.03 O HETATM 1812 O HOH A 458 31.173 20.423 9.790 1.00 17.41 O HETATM 1813 O HOH A 459 14.945 30.968 37.654 1.00 37.51 O HETATM 1814 O HOH A 460 8.733 19.405 13.847 1.00 29.42 O HETATM 1815 O HOH A 461 28.093 28.540 21.947 1.00 10.63 O HETATM 1816 O HOH A 462 17.079 33.074 40.701 1.00 36.75 O HETATM 1817 O HOH A 463 44.257 18.490 18.996 1.00 31.71 O HETATM 1818 O HOH A 464 18.636 25.074 7.443 1.00 35.46 O HETATM 1819 O HOH A 465 44.495 16.992 29.552 1.00 35.02 O HETATM 1820 O HOH A 466 21.596 24.042 -0.842 1.00 44.57 O HETATM 1821 O HOH A 467 24.415 8.170 9.772 1.00 26.90 O HETATM 1822 O HOH A 468 24.591 35.144 13.535 1.00 32.01 O HETATM 1823 O HOH A 469 10.641 23.556 12.085 1.00 36.91 O HETATM 1824 O HOH A 470 36.590 20.702 22.287 1.00 12.01 O HETATM 1825 O HOH A 471 28.957 14.232 24.727 1.00 11.83 O HETATM 1826 O HOH A 472 3.783 22.706 24.438 1.00 39.11 O HETATM 1827 O HOH A 473 36.612 22.838 37.556 1.00 13.88 O HETATM 1828 O HOH A 474 30.302 15.219 40.141 1.00 22.56 O HETATM 1829 O HOH A 475 37.729 30.256 10.248 1.00 38.28 O HETATM 1830 O HOH A 476 18.032 34.543 33.220 1.00 21.45 O HETATM 1831 O HOH A 477 37.554 31.180 35.275 1.00 20.61 O HETATM 1832 O HOH A 478 8.304 29.665 31.113 1.00 22.84 O HETATM 1833 O HOH A 479 25.359 23.548 1.714 1.00 32.61 O HETATM 1834 O HOH A 480 43.045 20.496 39.645 1.00 13.21 O HETATM 1835 O HOH A 481 31.104 30.099 43.117 1.00 45.44 O HETATM 1836 O HOH A 482 8.993 9.830 18.789 1.00 17.15 O HETATM 1837 O HOH A 483 35.208 28.650 11.312 1.00 23.64 O HETATM 1838 O HOH A 484 37.329 11.660 16.239 1.00 49.38 O HETATM 1839 O HOH A 485 24.991 27.605 4.511 1.00 18.54 O HETATM 1840 O HOH A 486 38.193 27.639 13.943 1.00 26.16 O HETATM 1841 O HOH A 487 27.666 37.650 30.225 1.00 21.51 O HETATM 1842 O HOH A 488 26.695 19.282 43.993 1.00 27.78 O HETATM 1843 O HOH A 489 34.760 20.197 35.867 1.00 11.71 O HETATM 1844 O HOH A 490 39.308 22.739 18.208 1.00 17.61 O HETATM 1845 O HOH A 491 38.287 35.388 23.901 1.00 23.87 O HETATM 1846 O HOH A 492 19.119 33.447 16.086 1.00 21.71 O HETATM 1847 O HOH A 493 14.753 20.286 9.179 1.00 31.09 O HETATM 1848 O HOH A 494 22.053 36.522 30.054 1.00 21.44 O HETATM 1849 O HOH A 495 30.663 25.788 32.680 1.00 11.94 O HETATM 1850 O HOH A 496 21.918 8.767 6.042 1.00 22.51 O HETATM 1851 O HOH A 497 30.394 32.242 39.321 1.00 17.54 O HETATM 1852 O HOH A 498 40.494 25.025 11.585 1.00 34.12 O HETATM 1853 O HOH A 499 4.522 27.633 26.158 1.00 30.68 O HETATM 1854 O HOH A 500 28.170 33.430 22.463 1.00 20.60 O HETATM 1855 O HOH A 501 29.685 25.744 5.088 1.00 18.57 O HETATM 1856 O HOH A 502 18.518 15.238 16.784 1.00 15.44 O HETATM 1857 O HOH A 503 22.005 6.999 31.293 1.00 31.31 O HETATM 1858 O HOH A 504 32.025 13.950 10.087 1.00 16.26 O HETATM 1859 O HOH A 505 42.697 18.366 22.814 1.00 32.41 O HETATM 1860 O HOH A 506 22.234 7.985 25.495 1.00 23.44 O HETATM 1861 O HOH A 507 38.959 35.308 29.361 1.00 25.08 O HETATM 1862 O HOH A 508 28.703 7.653 21.522 1.00 31.43 O HETATM 1863 O HOH A 509 42.039 16.076 13.299 1.00 37.11 O HETATM 1864 O HOH A 510 29.307 21.284 24.450 1.00 9.04 O HETATM 1865 O HOH A 511 18.670 34.849 28.932 1.00 37.09 O HETATM 1866 O HOH A 512 28.441 28.640 32.735 1.00 12.95 O HETATM 1867 O HOH A 513 25.697 35.364 19.315 1.00 23.24 O HETATM 1868 O HOH A 514 11.192 13.647 35.154 1.00 25.05 O HETATM 1869 O HOH A 515 43.083 22.231 26.817 1.00 36.52 O HETATM 1870 O HOH A 516 36.297 28.979 36.541 1.00 13.49 O HETATM 1871 O HOH A 517 33.184 18.531 34.388 1.00 11.86 O HETATM 1872 O HOH A 518 20.356 7.924 28.675 1.00 30.72 O HETATM 1873 O HOH A 519 25.164 17.578 1.025 1.00 27.95 O HETATM 1874 O HOH A 520 7.612 19.784 21.882 1.00 17.41 O HETATM 1875 O HOH A 521 32.942 30.182 28.761 1.00 12.32 O HETATM 1876 O HOH A 522 23.399 17.062 45.996 1.00 46.61 O HETATM 1877 O HOH A 523 30.597 9.967 19.239 1.00 25.84 O HETATM 1878 O HOH A 524 20.926 13.749 38.038 1.00 29.53 O HETATM 1879 O HOH A 525 18.190 12.659 0.826 1.00 35.78 O HETATM 1880 O HOH A 526 28.387 8.911 29.894 1.00 30.01 O HETATM 1881 O HOH A 527 8.115 17.076 18.192 1.00 43.72 O HETATM 1882 O HOH A 528 37.139 18.205 1.253 1.00 45.61 O HETATM 1883 O HOH A 529 42.034 23.904 15.510 1.00 29.32 O HETATM 1884 O HOH A 530 18.025 17.015 -0.530 1.00 28.50 O HETATM 1885 O HOH A 531 21.907 15.097 40.785 1.00 28.58 O HETATM 1886 O HOH A 532 18.486 9.086 27.008 1.00 13.16 O HETATM 1887 O HOH A 533 27.714 14.049 40.135 1.00 29.28 O HETATM 1888 O HOH A 534 26.860 33.499 17.747 1.00 32.39 O HETATM 1889 O HOH A 535 25.093 35.127 9.847 1.00 30.65 O HETATM 1890 O HOH A 536 35.287 29.068 29.556 1.00 13.85 O HETATM 1891 O HOH A 537 26.424 17.627 16.008 1.00 19.69 O HETATM 1892 O HOH A 538 17.992 7.685 11.335 1.00 21.80 O HETATM 1893 O HOH A 539 24.233 37.268 33.890 1.00 21.59 O HETATM 1894 O HOH A 540 9.396 8.774 23.302 1.00 23.67 O HETATM 1895 O HOH A 541 25.807 34.826 7.353 1.00 31.12 O HETATM 1896 O HOH A 542 26.948 21.604 45.166 1.00 42.32 O HETATM 1897 O HOH A 543 17.068 33.600 35.644 1.00 20.76 O HETATM 1898 O HOH A 544 14.903 34.262 17.331 1.00 34.04 O HETATM 1899 O HOH A 545 42.085 22.612 40.993 1.00 12.40 O HETATM 1900 O HOH A 546 20.039 21.896 7.875 1.00 15.83 O HETATM 1901 O HOH A 547 21.926 6.741 34.674 1.00 34.82 O HETATM 1902 O HOH A 548 11.313 32.756 23.086 1.00 35.43 O HETATM 1903 O HOH A 549 35.728 10.927 12.781 1.00 23.66 O HETATM 1904 O HOH A 550 31.174 19.835 25.978 1.00 8.88 O HETATM 1905 O HOH A 551 18.567 24.818 -0.754 1.00 41.50 O HETATM 1906 O HOH A 552 18.663 0.041 19.273 1.00 14.21 O HETATM 1907 O HOH A 553 23.941 21.152 44.651 1.00 22.77 O HETATM 1908 O HOH A 554 35.548 28.085 42.379 1.00 31.55 O HETATM 1909 O HOH A 555 9.120 26.057 14.748 1.00 31.86 O HETATM 1910 O HOH A 556 23.955 9.696 28.932 1.00 26.22 O HETATM 1911 O HOH A 557 23.832 25.471 2.716 1.00 23.13 O HETATM 1912 O HOH A 558 9.952 10.308 16.257 1.00 18.16 O HETATM 1913 O HOH A 559 43.982 26.093 31.793 1.00 27.90 O HETATM 1914 O HOH A 560 41.550 31.826 28.570 1.00 25.56 O HETATM 1915 O HOH A 561 23.851 19.607 46.824 1.00 48.88 O HETATM 1916 O HOH A 562 42.297 27.841 15.391 1.00 33.44 O HETATM 1917 O HOH A 563 29.570 25.807 43.820 1.00 21.64 O HETATM 1918 O HOH A 564 12.752 31.491 32.091 1.00 46.45 O HETATM 1919 O HOH A 565 14.696 33.062 26.767 1.00 26.41 O HETATM 1920 O HOH A 566 31.586 28.272 30.639 1.00 14.50 O HETATM 1921 O HOH A 567 8.022 13.565 17.095 1.00 23.09 O HETATM 1922 O HOH A 568 25.826 8.221 12.063 1.00 23.95 O HETATM 1923 O HOH A 569 29.976 23.737 3.300 1.00 22.51 O HETATM 1924 O HOH A 570 43.170 28.546 19.702 1.00 27.53 O HETATM 1925 O HOH A 571 29.454 14.533 11.766 1.00 17.92 O HETATM 1926 O HOH A 572 29.335 40.313 36.854 1.00 38.24 O HETATM 1927 O HOH A 573 7.081 22.473 16.955 1.00 34.41 O HETATM 1928 O HOH A 574 5.146 20.902 28.965 1.00 19.86 O HETATM 1929 O HOH A 575 9.395 7.126 18.940 1.00 24.46 O HETATM 1930 O HOH A 576 16.987 23.591 1.457 1.00 26.92 O HETATM 1931 O HOH A 577 14.253 -0.047 19.966 1.00 25.45 O HETATM 1932 O HOH A 578 24.725 34.855 27.535 1.00 33.37 O HETATM 1933 O HOH A 579 21.464 35.704 40.197 1.00 28.53 O HETATM 1934 O HOH A 580 12.579 16.327 7.315 1.00 35.32 O HETATM 1935 O HOH A 581 26.551 10.504 16.491 1.00 16.68 O HETATM 1936 O HOH A 582 31.833 37.402 36.947 1.00 39.41 O HETATM 1937 O HOH A 583 32.030 34.840 38.537 1.00 45.33 O HETATM 1938 O HOH A 584 39.542 33.387 21.179 1.00 17.68 O HETATM 1939 O HOH A 585 4.152 21.102 26.468 1.00 34.35 O HETATM 1940 O HOH A 586 32.683 23.391 2.964 1.00 36.75 O HETATM 1941 O HOH A 587 36.884 13.109 5.072 1.00 29.93 O HETATM 1942 O HOH A 588 34.258 11.581 25.134 1.00 43.60 O HETATM 1943 O HOH A 589 12.787 3.283 16.803 1.00 19.58 O HETATM 1944 O HOH A 590 15.859 16.291 17.183 1.00 13.10 O HETATM 1945 O HOH A 591 17.464 5.524 12.894 1.00 22.41 O HETATM 1946 O HOH A 592 41.807 15.773 29.129 1.00 23.08 O HETATM 1947 O HOH A 593 7.330 22.846 21.636 1.00 15.76 O HETATM 1948 O HOH A 594 32.005 17.761 9.373 1.00 20.27 O HETATM 1949 O HOH A 595 13.953 12.197 6.511 1.00 44.56 O HETATM 1950 O HOH A 596 10.412 29.461 18.349 1.00 38.72 O HETATM 1951 O HOH A 597 15.634 36.122 27.151 1.00 45.48 O HETATM 1952 O HOH A 598 21.029 35.816 25.947 1.00 28.56 O HETATM 1953 O HOH A 599 9.343 14.264 13.286 1.00 28.27 O HETATM 1954 O HOH A 600 17.705 28.657 45.026 1.00 32.86 O HETATM 1955 O HOH A 601 22.137 36.015 32.771 1.00 17.12 O HETATM 1956 O HOH A 602 35.671 15.086 37.135 1.00 19.03 O HETATM 1957 O HOH A 603 34.638 15.334 26.404 1.00 33.42 O HETATM 1958 O HOH A 604 16.386 27.015 13.427 1.00 25.24 O HETATM 1959 O HOH A 605 7.866 16.218 15.433 1.00 32.84 O HETATM 1960 O HOH A 606 25.808 8.733 14.625 1.00 29.41 O HETATM 1961 O HOH A 607 30.910 10.795 15.733 1.00 31.58 O HETATM 1962 O HOH A 608 7.826 26.002 19.896 1.00 30.43 O HETATM 1963 O HOH A 609 18.893 17.903 -3.209 1.00 52.58 O HETATM 1964 O HOH A 610 14.531 6.235 6.587 1.00 23.65 O HETATM 1965 O HOH A 611 10.039 15.070 10.000 1.00 33.27 O HETATM 1966 O HOH A 612 16.907 25.459 4.024 1.00 32.30 O HETATM 1967 O HOH A 613 41.688 32.253 24.054 1.00 36.42 O HETATM 1968 O HOH A 614 8.396 19.644 17.302 1.00 43.42 O HETATM 1969 O HOH A 615 17.388 25.724 11.542 1.00 35.68 O HETATM 1970 O HOH A 616 26.954 34.654 15.437 1.00 40.80 O HETATM 1971 O HOH A 617 16.095 33.975 31.207 1.00 41.00 O HETATM 1972 O HOH A 618 28.684 34.790 6.723 1.00 32.03 O HETATM 1973 O HOH A 619 25.706 15.467 42.095 1.00 42.89 O HETATM 1974 O HOH A 620 32.067 17.986 43.440 1.00 43.17 O HETATM 1975 O HOH A 621 42.700 30.976 20.550 1.00 44.98 O HETATM 1976 O HOH A 622 13.778 10.976 8.887 1.00 35.20 O HETATM 1977 O HOH A 623 11.037 5.927 14.500 1.00 24.07 O HETATM 1978 O HOH A 624 26.985 26.589 44.032 1.00 40.36 O HETATM 1979 O HOH A 625 28.861 7.783 4.658 1.00 35.83 O HETATM 1980 O HOH A 626 20.865 7.722 14.118 1.00 27.23 O HETATM 1981 O HOH A 627 28.326 6.280 11.212 1.00 28.72 O HETATM 1982 O HOH A 628 19.624 36.836 33.468 1.00 32.44 O HETATM 1983 O HOH A 629 36.985 15.435 33.681 1.00 18.77 O HETATM 1984 O HOH A 630 32.176 25.454 43.183 1.00 42.98 O HETATM 1985 O HOH A 631 12.288 10.090 13.006 1.00 26.62 O HETATM 1986 O HOH A 632 19.779 5.261 24.408 1.00 48.42 O HETATM 1987 O HOH A 633 42.327 20.484 13.333 1.00 38.27 O HETATM 1988 O HOH A 634 33.468 32.925 22.181 1.00 30.97 O HETATM 1989 O HOH A 635 23.192 38.948 35.751 1.00 35.92 O HETATM 1990 O HOH A 636 19.590 13.190 -2.650 1.00 54.57 O HETATM 1991 O HOH A 637 5.747 24.932 18.624 1.00 68.05 O HETATM 1992 O HOH A 638 4.402 29.010 28.800 1.00 40.31 O HETATM 1993 O HOH A 639 30.441 35.540 8.702 1.00 39.11 O HETATM 1994 O HOH A 640 30.826 15.612 42.718 1.00 33.78 O HETATM 1995 O HOH A 641 23.437 28.206 46.706 1.00 46.41 O HETATM 1996 O HOH A 642 27.716 6.397 7.395 1.00 42.09 O HETATM 1997 O HOH A 643 9.384 28.780 15.558 1.00 43.49 O HETATM 1998 O HOH A 644 25.526 38.734 31.350 1.00 33.91 O HETATM 1999 O HOH A 645 46.439 24.522 33.795 1.00 47.49 O HETATM 2000 O HOH A 646 6.335 10.040 19.057 1.00 47.05 O HETATM 2001 O HOH A 647 28.968 9.488 17.143 1.00 24.10 O HETATM 2002 O HOH A 648 12.104 33.105 26.805 1.00 43.41 O HETATM 2003 O HOH A 649 17.288 35.314 37.718 1.00 31.78 O HETATM 2004 O HOH A 650 28.506 30.240 4.649 1.00 33.64 O HETATM 2005 O HOH A 651 6.804 8.712 21.656 1.00 49.98 O HETATM 2006 O HOH A 652 22.640 35.798 8.499 1.00 49.46 O HETATM 2007 O HOH A 653 6.185 30.989 30.083 1.00 35.46 O HETATM 2008 O HOH A 654 44.973 26.368 25.810 1.00 44.70 O HETATM 2009 O HOH A 655 30.818 32.450 41.898 1.00 40.58 O HETATM 2010 O HOH A 656 22.251 27.259 1.129 1.00 30.04 O HETATM 2011 O HOH A 657 10.174 11.228 11.770 1.00 37.26 O HETATM 2012 O HOH A 658 14.603 22.589 1.065 1.00 57.82 O HETATM 2013 O HOH A 659 14.299 9.553 11.318 1.00 20.65 O HETATM 2014 O HOH A 660 15.567 17.995 -0.091 1.00 43.43 O HETATM 2015 O HOH A 661 9.724 13.967 37.491 1.00 35.60 O HETATM 2016 O HOH A 662 41.576 32.932 19.284 1.00 20.61 O HETATM 2017 O HOH A 663 5.307 19.208 23.065 1.00 34.84 O HETATM 2018 O HOH A 664 7.459 10.700 14.927 1.00 49.33 O HETATM 2019 O HOH A 665 42.284 22.369 18.675 1.00 43.72 O HETATM 2020 O HOH A 666 20.721 3.944 22.277 1.00 32.90 O HETATM 2021 O HOH A 667 40.114 31.713 34.663 1.00 29.58 O HETATM 2022 O HOH A 668 34.547 25.295 42.933 1.00 31.08 O HETATM 2023 O HOH A 669 11.286 12.344 9.034 1.00 44.84 O HETATM 2024 O HOH A 670 7.672 30.952 33.674 1.00 37.19 O HETATM 2025 O HOH A 671 31.046 9.488 3.746 1.00 34.93 O HETATM 2026 O HOH A 672 41.614 34.520 22.583 1.00 30.86 O HETATM 2027 O HOH A 673 37.592 28.796 44.245 1.00 36.74 O HETATM 2028 O HOH A 674 11.310 0.929 16.701 1.00 39.52 O HETATM 2029 O HOH A 675 44.177 28.301 30.516 1.00 36.37 O HETATM 2030 O HOH A 676 25.653 7.906 28.953 1.00 39.47 O HETATM 2031 O HOH A 677 19.895 5.497 30.514 1.00 34.37 O HETATM 2032 O HOH A 678 29.900 34.709 17.929 1.00 39.97 O HETATM 2033 O HOH A 679 18.407 31.113 45.599 1.00 34.17 O HETATM 2034 O HOH A 680 14.417 33.842 35.291 1.00 50.02 O HETATM 2035 O HOH A 681 43.762 28.563 27.710 1.00 24.12 O HETATM 2036 O HOH A 682 24.579 6.139 30.992 1.00 43.61 O HETATM 2037 O HOH A 683 11.442 26.210 9.813 1.00 56.33 O HETATM 2038 O HOH A 684 1.833 29.467 33.679 1.00 45.30 O HETATM 2039 O HOH A 685 27.607 27.412 4.083 1.00 23.42 O HETATM 2040 O HOH A 686 28.359 34.430 20.028 1.00 40.36 O HETATM 2041 O HOH A 687 34.192 27.450 3.863 1.00 43.38 O HETATM 2042 O HOH A 688 27.964 24.003 1.476 1.00 30.64 O HETATM 2043 O HOH A 689 31.532 27.602 4.183 1.00 32.74 O HETATM 2044 O HOH A 690 19.280 36.787 38.616 1.00 41.07 O HETATM 2045 O HOH A 691 20.195 38.286 36.521 1.00 39.86 O HETATM 2046 O HOH A 692 45.175 30.649 26.440 1.00 42.88 O HETATM 2047 O HOH A 693 10.906 6.750 11.805 1.00 39.28 O HETATM 2048 O HOH A 694 27.872 27.064 1.445 1.00 37.06 O CONECT 48 1041 CONECT 192 312 CONECT 312 192 CONECT 403 1713 CONECT 416 1713 CONECT 440 1713 CONECT 480 1713 CONECT 844 1582 CONECT 886 1382 CONECT 1041 48 CONECT 1124 1236 CONECT 1236 1124 CONECT 1320 1482 1483 CONECT 1382 886 CONECT 1482 1320 CONECT 1483 1320 CONECT 1582 844 CONECT 1700 1701 1702 1703 CONECT 1701 1700 CONECT 1702 1700 CONECT 1703 1700 CONECT 1704 1705 1706 1707 CONECT 1705 1704 CONECT 1706 1704 CONECT 1707 1704 CONECT 1708 1709 1710 1711 1712 CONECT 1709 1708 CONECT 1710 1708 CONECT 1711 1708 CONECT 1712 1708 CONECT 1713 403 416 440 480 CONECT 1713 1776 1827 CONECT 1714 1717 1719 1723 CONECT 1715 1716 1723 CONECT 1716 1715 1717 1718 CONECT 1717 1714 1716 CONECT 1718 1716 1724 1725 CONECT 1719 1714 1720 1727 CONECT 1720 1719 1726 CONECT 1721 1722 1726 1727 CONECT 1722 1721 1728 1729 CONECT 1723 1714 1715 CONECT 1724 1718 1725 CONECT 1725 1718 1724 CONECT 1726 1720 1721 1744 CONECT 1727 1719 1721 CONECT 1728 1722 CONECT 1729 1722 1730 CONECT 1730 1729 1731 CONECT 1731 1730 1732 1738 CONECT 1732 1731 1733 1737 CONECT 1733 1732 1734 CONECT 1734 1733 1735 CONECT 1735 1734 1736 CONECT 1736 1735 1737 CONECT 1737 1732 1736 CONECT 1738 1731 1739 1743 CONECT 1739 1738 1740 CONECT 1740 1739 1741 CONECT 1741 1740 1742 CONECT 1742 1741 1743 CONECT 1743 1738 1742 CONECT 1744 1726 1745 1746 CONECT 1745 1744 CONECT 1746 1744 1747 1751 CONECT 1747 1746 1748 CONECT 1748 1747 1749 CONECT 1749 1748 1750 1752 CONECT 1750 1749 1751 CONECT 1751 1746 1750 CONECT 1752 1749 1753 1754 CONECT 1753 1752 CONECT 1754 1752 CONECT 1776 1713 CONECT 1827 1713 END