USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER SIGNALING PROTEIN 25-MAR-09 3A10 TITLE CRYSTAL STRUCTURE OF RESPONSE REGULATOR PROTEIN TRRA TITLE 2 (TM1360) FROM THERMOTOGA MARITIMA IN COMPLEX WITH MG(2+)- TITLE 3 BEF (SEMET, L89M) COMPND MOL_ID: 1; COMPND 2 MOLECULE: RESPONSE REGULATOR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; SOURCE 3 ORGANISM_TAXID: 2336; SOURCE 4 GENE: TM_1360; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) CODONPLUS RIL; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PRSETA KEYWDS PHOSPHOACCEPTOR, SIGNALING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR S.YAMADA,H.SUGIMOTO,M.KOBAYASHI,A.OHNO,H.NAKAMURA,Y.SHIRO REVDAT 2 17-NOV-09 3A10 1 JRNL REVDAT 1 20-OCT-09 3A10 0 JRNL AUTH S.YAMADA,H.SUGIMOTO,M.KOBAYASHI,A.OHNO,H.NAKAMURA, JRNL AUTH 2 Y.SHIRO JRNL TITL STRUCTURE OF PAS-LINKED HISTIDINE KINASE AND THE JRNL TITL 2 RESPONSE REGULATOR COMPLEX JRNL REF STRUCTURE V. 17 1333 2009 JRNL REFN ISSN 0969-2126 JRNL PMID 19836334 JRNL DOI 10.1016/J.STR.2009.07.016 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.63 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.63 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 14289 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) : 0.203 REMARK 3 R VALUE (WORKING SET) : 0.200 REMARK 3 FREE R VALUE : 0.250 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 719 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.63 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.67 REMARK 3 REFLECTION IN BIN (WORKING SET) : 929 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.2450 REMARK 3 BIN FREE R VALUE SET COUNT : 60 REMARK 3 BIN FREE R VALUE : 0.2840 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 968 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 31 REMARK 3 SOLVENT ATOMS : 106 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.80 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.77 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.17000 REMARK 3 B22 (A**2) : -0.17000 REMARK 3 B33 (A**2) : 0.35000 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 OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.116 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.119 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.071 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.014 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.951 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.929 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1010 ; 0.012 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1344 ; 1.446 ; 2.018 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 121 ; 5.998 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 46 ;37.869 ;25.870 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 207 ;12.655 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 4 ;23.483 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 146 ; 0.081 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 716 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 461 ; 0.210 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 692 ; 0.306 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 89 ; 0.137 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): 2 ; 0.097 ; 0.200 REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 72 ; 0.250 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 17 ; 0.144 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 618 ; 1.002 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 957 ; 1.390 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 443 ; 2.423 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 385 ; 3.719 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3A10 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-APR-09. REMARK 100 THE RCSB ID CODE IS RCSB028675. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-MAR-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SPRING-8 REMARK 200 BEAMLINE : BL45XU REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9795,0.9797,0.9787 REMARK 200 MONOCHROMATOR : DIAMOND 111 DOUBLE CRYSTAL REMARK 200 MONOCHROMATOR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RIGAKU JUPITER 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 14298 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.630 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.9 REMARK 200 DATA REDUNDANCY : 7.300 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03700 REMARK 200 FOR THE DATA SET : 43.7000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.63 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.8 REMARK 200 DATA REDUNDANCY IN SHELL : 6.40 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.14300 REMARK 200 FOR SHELL : 8.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.47 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.97 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 50% PEG200, 0.1M SODIUM/POTASSIUM- REMARK 280 PHOSPHATE, 0.1M SODIUM CHLORIDE, PH 6.2, VAPOR DIFFUSION, REMARK 280 TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 99.62100 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 16.33900 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 16.33900 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 49.81050 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 16.33900 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 16.33900 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 149.43150 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 16.33900 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 16.33900 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 49.81050 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 16.33900 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 16.33900 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 149.43150 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 99.62100 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 ASN A 45 54.66 -143.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 201 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 9 OD1 REMARK 620 2 ASP A 52 OD2 85.8 REMARK 620 3 GLU A 54 O 88.9 91.9 REMARK 620 4 HOH A 126 O 90.3 175.5 90.2 REMARK 620 5 HOH A 117 O 88.6 85.4 176.5 92.3 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 BEF A 202 BE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 52 OD1 REMARK 620 2 BEF A 202 F1 109.8 REMARK 620 3 BEF A 202 F2 112.4 107.1 REMARK 620 4 BEF A 202 F3 114.0 107.8 105.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 201 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BEF A 202 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 A 203 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PG4 A 204 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3A0U RELATED DB: PDB REMARK 900 RESPONSE REGULATOR PROTEIN TRRA (WILD TYPE) DBREF 3A10 A 1 116 UNP Q9X181 Q9X181_THEMA 1 116 SEQADV 3A10 MSE A 89 UNP Q9X181 LEU 89 ENGINEERED SEQRES 1 A 116 MSE LYS ARG ILE LEU VAL VAL ASP ASP GLU PRO ASN ILE SEQRES 2 A 116 ARG GLU LEU LEU LYS GLU GLU LEU GLN GLU GLU GLY TYR SEQRES 3 A 116 GLU ILE ASP THR ALA GLU ASN GLY GLU GLU ALA LEU LYS SEQRES 4 A 116 LYS PHE PHE SER GLY ASN TYR ASP LEU VAL ILE LEU ASP SEQRES 5 A 116 ILE GLU MSE PRO GLY ILE SER GLY LEU GLU VAL ALA GLY SEQRES 6 A 116 GLU ILE ARG LYS LYS LYS LYS ASP ALA LYS ILE ILE LEU SEQRES 7 A 116 LEU THR ALA TYR SER HIS TYR ARG SER ASP MSE SER SER SEQRES 8 A 116 TRP ALA ALA ASP GLU TYR VAL VAL LYS SER PHE ASN PHE SEQRES 9 A 116 ASP GLU LEU LYS GLU LYS VAL LYS LYS LEU LEU SER MODRES 3A10 MSE A 1 MET SELENOMETHIONINE MODRES 3A10 MSE A 55 MET SELENOMETHIONINE MODRES 3A10 MSE A 89 MET SELENOMETHIONINE HET MSE A 1 24 HET MSE A 55 8 HET MSE A 89 12 HET MG A 201 1 HET BEF A 202 4 HET PG4 A 203 13 HET PG4 A 204 13 HETNAM MSE SELENOMETHIONINE HETNAM MG MAGNESIUM ION HETNAM BEF BERYLLIUM TRIFLUORIDE ION HETNAM PG4 TETRAETHYLENE GLYCOL FORMUL 1 MSE 3(C5 H11 N O2 SE) FORMUL 2 MG MG 2+ FORMUL 3 BEF BE F3 1- FORMUL 4 PG4 2(C8 H18 O5) FORMUL 6 HOH *106(H2 O) HELIX 1 1 GLU A 10 GLU A 24 1 15 HELIX 2 2 ASN A 33 GLY A 44 1 12 HELIX 3 3 SER A 59 LYS A 71 1 13 HELIX 4 4 TYR A 82 ALA A 94 5 13 HELIX 5 5 PHE A 104 LEU A 115 1 12 SHEET 1 A 5 GLU A 27 ALA A 31 0 SHEET 2 A 5 ARG A 3 VAL A 7 1 N VAL A 6 O ASP A 29 SHEET 3 A 5 LEU A 48 LEU A 51 1 O ILE A 50 N LEU A 5 SHEET 4 A 5 ILE A 76 THR A 80 1 O ILE A 77 N LEU A 51 SHEET 5 A 5 GLU A 96 VAL A 99 1 O VAL A 98 N LEU A 78 LINK C AMSE A 1 N LYS A 2 1555 1555 1.34 LINK C BMSE A 1 N LYS A 2 1555 1555 1.33 LINK C CMSE A 1 N LYS A 2 1555 1555 1.33 LINK C GLU A 54 N MSE A 55 1555 1555 1.34 LINK C MSE A 55 N PRO A 56 1555 1555 1.35 LINK C ASP A 88 N MSE A 89 1555 1555 1.33 LINK C MSE A 89 N SER A 90 1555 1555 1.33 LINK OD1 ASP A 9 MG MG A 201 1555 1555 2.05 LINK OD1 ASP A 52 BE BEF A 202 1555 1555 1.56 LINK OD2 ASP A 52 MG MG A 201 1555 1555 2.04 LINK O GLU A 54 MG MG A 201 1555 1555 2.07 LINK MG MG A 201 O HOH A 126 1555 1555 2.13 LINK MG MG A 201 O HOH A 117 1555 1555 2.05 SITE *** AC1 6 ASP A 9 ASP A 52 GLU A 54 HOH A 117 SITE *** AC1 6 HOH A 126 BEF A 202 SITE *** AC2 10 ASP A 52 ILE A 53 GLU A 54 THR A 80 SITE *** AC2 10 ALA A 81 LYS A 100 HOH A 117 HOH A 126 SITE *** AC2 10 HOH A 130 MG A 201 SITE *** AC3 9 ASP A 9 GLU A 54 MSE A 55 GLY A 57 SITE *** AC3 9 SER A 59 LYS A 69 HOH A 165 HOH A 166 SITE *** AC3 9 HOH A 186 SITE *** AC4 3 PHE A 42 MSE A 89 HOH A 167 CRYST1 32.678 32.678 199.242 90.00 90.00 90.00 P 41 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.030602 0.000000 0.000000 0.00000 SCALE2 0.000000 0.030602 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005019 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 26 TYR OH : rot 173:sc= 1.31 USER MOD Set 1.2: A 112 LYS NZ :NH3+ 155:sc= 0.383 (180deg=0) USER MOD Single : A 1 MSE N A:NH3+ -158:sc= 0.497 (180deg=0.296) USER MOD Single : A 1 MSE N B:NH3+ -162:sc= 1.22 (180deg=0.985) USER MOD Single : A 1 MSE N C:NH3+ -172:sc= 0.0116 (180deg=-0.000593) USER MOD Single : A 2 LYS NZ :NH3+ -103:sc= -0.56 (180deg=-1.28) USER MOD Single : A 12 ASN : amide:sc= 0.917 K(o=0.92,f=-0.084) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.27) USER MOD Single : A 30 THR OG1 : rot 93:sc= 0.0936 USER MOD Single : A 33 ASN : amide:sc= 0.682 K(o=0.68,f=-5.6!) USER MOD Single : A 39 LYS NZ :NH3+ -131:sc= 0.8 (180deg=-0.159) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= 1.05 (180deg=0.777) USER MOD Single : A 43 SER OG : rot -82:sc= 0.914 USER MOD Single : A 45 ASN : amide:sc= 0.507 X(o=0.51,f=0.35) USER MOD Single : A 46 TYR OH : rot 19:sc= 0.477 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= 0.632 (180deg=0.503) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -113:sc= 0.432 (180deg=0.232) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0.105 (180deg=0.0824) USER MOD Single : A 80 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 82 TYR OH : rot 30:sc= 1.18 USER MOD Single : A 83 SER OG : rot 82:sc= 0.495 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot -172:sc= 2.41 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 91:sc= 2.21 USER MOD Single : A 91 SER OG A: rot -65:sc= 1.45 USER MOD Single : A 91 SER OG B: rot 145:sc= 1.16 USER MOD Single : A 97 TYR OH : rot 1:sc= 0.977 USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= 2.57 (180deg=1.76) USER MOD Single : A 101 SER OG : rot 169:sc= 1.38 USER MOD Single : A 103 ASN : amide:sc= -0.334 K(o=-0.33,f=-7.3!) USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= 0.985 (180deg=0.634) USER MOD Single : A 110 LYS NZ :NH3+ 159:sc= -0.217 (180deg=-0.408) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 58:sc= 0.127 USER MOD Single : A 203 PG4 O1 : rot 180:sc= 0 USER MOD Single : A 203 PG4 O5 : rot 17:sc= 0.211 USER MOD Single : A 204 PG4 O1 : rot 180:sc= 0 USER MOD Single : A 204 PG4 O5 : rot -69:sc= 1.02 USER MOD ----------------------------------------------------------------- HETATM 1 N AMSE A 1 5.226 5.954 94.915 0.50 13.48 N HETATM 2 N BMSE A 1 5.317 6.043 95.183 0.30 15.95 N HETATM 3 N CMSE A 1 7.582 3.746 95.580 0.20 17.93 N HETATM 4 CA AMSE A 1 6.518 5.201 94.888 0.50 15.07 C HETATM 5 CA BMSE A 1 6.570 5.250 94.952 0.30 17.09 C HETATM 6 CA CMSE A 1 6.721 4.667 94.784 0.20 18.04 C HETATM 7 C AMSE A 1 7.379 5.686 93.714 0.50 14.69 C HETATM 8 C BMSE A 1 7.374 5.794 93.772 0.30 16.11 C HETATM 9 C CMSE A 1 7.509 5.244 93.623 0.20 17.05 C HETATM 10 O AMSE A 1 6.850 5.987 92.646 0.50 14.06 O HETATM 11 O BMSE A 1 6.808 6.225 92.767 0.30 15.85 O HETATM 12 O CMSE A 1 7.045 5.227 92.480 0.20 16.68 O HETATM 13 CB AMSE A 1 6.226 3.701 94.767 0.50 15.13 C HETATM 14 CB BMSE A 1 6.226 3.775 94.720 0.30 16.66 C HETATM 15 CB CMSE A 1 6.167 5.785 95.664 0.20 18.13 C HETATM 16 CG AMSE A 1 7.432 2.785 94.739 0.50 18.57 C HETATM 17 CG BMSE A 1 7.397 2.866 94.344 0.30 18.33 C HETATM 18 CG CMSE A 1 5.396 6.865 94.913 0.20 18.36 C HETATM 19 SE AMSE A 1 8.388 2.716 96.413 0.50 29.01 SE HETATM 20 SE BMSE A 1 6.993 1.032 94.851 0.30 20.24 SE HETATM 21 SE CMSE A 1 6.239 8.613 95.027 0.20 20.98 SE HETATM 22 CE AMSE A 1 6.896 2.485 97.638 0.50 18.91 C HETATM 23 CE BMSE A 1 6.698 1.419 96.748 0.30 19.31 C HETATM 24 CE CMSE A 1 5.493 9.184 96.721 0.20 19.93 C HETATM 0 H1 AMSE A 1 4.878 5.918 95.734 0.50 17.93 H new HETATM 0 H1 BMSE A 1 5.012 5.884 96.004 0.30 17.93 H new HETATM 0 H1 CMSE A 1 7.085 3.324 96.186 0.20 17.93 H new HETATM 0 H2 AMSE A 1 5.372 6.803 94.692 0.50 17.93 H new HETATM 0 H2 BMSE A 1 5.494 6.911 95.096 0.30 17.93 H new HETATM 0 H2 CMSE A 1 7.959 3.149 95.038 0.20 17.93 H new HETATM 0 H3 AMSE A 1 4.657 5.589 94.336 0.50 17.93 H new HETATM 0 H3 BMSE A 1 4.701 5.805 94.586 0.30 17.93 H new HETATM 0 H3 CMSE A 1 8.217 4.214 95.992 0.20 17.93 H new HETATM 0 HA AMSE A 1 7.009 5.359 95.710 0.50 18.04 H new HETATM 0 HA BMSE A 1 7.120 5.331 95.747 0.30 18.04 H new HETATM 0 HA CMSE A 1 5.972 4.162 94.432 0.20 18.04 H new HETATM 0 HB2AMSE A 1 5.662 3.439 95.511 0.50 18.13 H new HETATM 0 HB2BMSE A 1 5.815 3.426 95.526 0.30 18.13 H new HETATM 0 HB2CMSE A 1 5.583 5.394 96.333 0.20 18.13 H new HETATM 0 HB3AMSE A 1 5.713 3.555 93.957 0.50 18.13 H new HETATM 0 HB3BMSE A 1 5.560 3.723 94.017 0.30 18.13 H new HETATM 0 HB3CMSE A 1 6.903 6.201 96.139 0.20 18.13 H new HETATM 0 HG2AMSE A 1 7.143 1.890 94.503 0.50 18.36 H new HETATM 0 HG2BMSE A 1 7.564 2.918 93.390 0.30 18.36 H new HETATM 0 HG2CMSE A 1 5.316 6.610 93.981 0.20 18.36 H new HETATM 0 HG3AMSE A 1 8.037 3.081 94.041 0.50 18.36 H new HETATM 0 HG3BMSE A 1 8.205 3.164 94.790 0.30 18.36 H new HETATM 0 HG3CMSE A 1 4.496 6.921 95.270 0.20 18.36 H new HETATM 0 HE1AMSE A 1 7.229 2.432 98.548 0.50 19.93 H new HETATM 0 HE1BMSE A 1 6.472 0.599 97.214 0.30 19.93 H new HETATM 0 HE1CMSE A 1 5.823 10.070 96.938 0.20 19.93 H new HETATM 0 HE2AMSE A 1 6.292 3.240 97.559 0.50 19.93 H new HETATM 0 HE2BMSE A 1 7.505 1.796 97.131 0.30 19.93 H new HETATM 0 HE2CMSE A 1 4.525 9.206 96.658 0.20 19.93 H new HETATM 0 HE3AMSE A 1 6.422 1.668 97.420 0.50 19.93 H new HETATM 0 HE3BMSE A 1 5.970 2.054 96.840 0.30 19.93 H new HETATM 0 HE3CMSE A 1 5.757 8.562 97.417 0.20 19.93 H new ATOM 25 N LYS A 2 8.696 5.766 93.922 1.00 15.90 N ATOM 26 CA LYS A 2 9.628 6.122 92.870 1.00 16.27 C ATOM 27 C LYS A 2 10.346 4.828 92.508 1.00 16.70 C ATOM 28 O LYS A 2 10.559 3.942 93.366 1.00 16.13 O ATOM 29 CB LYS A 2 10.638 7.184 93.321 1.00 16.74 C ATOM 30 CG LYS A 2 10.038 8.392 94.015 1.00 21.44 C ATOM 31 CD LYS A 2 9.619 9.457 93.018 1.00 25.88 C ATOM 32 CE LYS A 2 9.104 10.697 93.741 1.00 28.60 C ATOM 33 NZ LYS A 2 10.064 11.159 94.791 1.00 31.95 N ATOM 0 H ALYS A 2 9.067 5.613 94.683 0.50 15.90 H new ATOM 0 H BLYS A 2 9.079 5.534 94.656 0.30 15.90 H new ATOM 0 H CLYS A 2 8.975 5.919 94.721 0.20 15.90 H new ATOM 0 HA LYS A 2 9.158 6.510 92.115 1.00 16.27 H new ATOM 0 HB2 LYS A 2 11.277 6.768 93.921 1.00 16.74 H new ATOM 0 HB3 LYS A 2 11.134 7.488 92.545 1.00 16.74 H new ATOM 0 HG2 LYS A 2 9.269 8.117 94.538 1.00 21.44 H new ATOM 0 HG3 LYS A 2 10.684 8.764 94.635 1.00 21.44 H new ATOM 0 HD2 LYS A 2 10.372 9.694 92.455 1.00 25.88 H new ATOM 0 HD3 LYS A 2 8.928 9.107 92.434 1.00 25.88 H new ATOM 0 HE2 LYS A 2 8.957 11.409 93.099 1.00 28.60 H new ATOM 0 HE3 LYS A 2 8.246 10.502 94.149 1.00 28.60 H new ATOM 0 HZ1 LYS A 2 9.765 10.917 95.594 1.00 31.95 H new ATOM 0 HZ2 LYS A 2 10.861 10.790 94.648 1.00 31.95 H new ATOM 0 HZ3 LYS A 2 10.137 12.045 94.757 1.00 31.95 H new ATOM 34 N ARG A 3 10.693 4.717 91.234 1.00 15.94 N ATOM 35 CA ARG A 3 11.380 3.552 90.704 1.00 17.07 C ATOM 36 C ARG A 3 12.756 3.971 90.183 1.00 15.96 C ATOM 37 O ARG A 3 12.890 4.975 89.454 1.00 15.89 O ATOM 38 CB ARG A 3 10.538 2.924 89.593 1.00 16.87 C ATOM 39 CG ARG A 3 11.144 1.741 88.855 1.00 20.36 C ATOM 40 CD ARG A 3 10.318 1.393 87.574 1.00 20.81 C ATOM 41 NE ARG A 3 9.213 0.444 87.774 1.00 24.28 N ATOM 42 CZ ARG A 3 7.929 0.674 87.467 1.00 24.86 C ATOM 43 NH1 ARG A 3 7.548 1.846 86.981 1.00 26.90 N ATOM 44 NH2 ARG A 3 7.026 -0.280 87.653 1.00 24.55 N ATOM 0 H ARG A 3 10.534 5.324 90.646 1.00 15.94 H new ATOM 0 HA ARG A 3 11.504 2.890 91.403 1.00 17.07 H new ATOM 0 HB2 ARG A 3 9.694 2.639 89.978 1.00 16.87 H new ATOM 0 HB3 ARG A 3 10.335 3.614 88.942 1.00 16.87 H new ATOM 0 HG2 ARG A 3 12.059 1.945 88.608 1.00 20.36 H new ATOM 0 HG3 ARG A 3 11.174 0.970 89.443 1.00 20.36 H new ATOM 0 HD2 ARG A 3 9.956 2.215 87.208 1.00 20.81 H new ATOM 0 HD3 ARG A 3 10.921 1.028 86.908 1.00 20.81 H new ATOM 0 HE ARG A 3 9.406 -0.321 88.116 1.00 24.28 H new ATOM 0 HH11 ARG A 3 8.127 2.470 86.859 1.00 26.90 H new ATOM 0 HH12 ARG A 3 6.721 1.983 86.787 1.00 26.90 H new ATOM 0 HH21 ARG A 3 7.265 -1.043 87.970 1.00 24.55 H new ATOM 0 HH22 ARG A 3 6.201 -0.135 87.457 1.00 24.55 H new ATOM 45 N ILE A 4 13.755 3.170 90.548 1.00 14.46 N ATOM 46 CA ILE A 4 15.152 3.423 90.186 1.00 13.66 C ATOM 47 C ILE A 4 15.702 2.219 89.470 1.00 13.36 C ATOM 48 O ILE A 4 15.547 1.087 89.949 1.00 12.82 O ATOM 49 CB ILE A 4 16.041 3.677 91.436 1.00 12.97 C ATOM 50 CG1 ILE A 4 15.448 4.772 92.342 1.00 14.11 C ATOM 51 CG2 ILE A 4 17.499 4.037 90.993 1.00 13.78 C ATOM 52 CD1 ILE A 4 16.291 5.091 93.612 1.00 14.36 C ATOM 0 H ILE A 4 13.642 2.458 91.017 1.00 14.46 H new ATOM 0 HA ILE A 4 15.168 4.214 89.624 1.00 13.66 H new ATOM 0 HB ILE A 4 16.068 2.861 91.959 1.00 12.97 H new ATOM 0 HG12 ILE A 4 15.347 5.585 91.823 1.00 14.11 H new ATOM 0 HG13 ILE A 4 14.559 4.500 92.618 1.00 14.11 H new ATOM 0 HG21 ILE A 4 18.047 4.194 91.778 1.00 13.78 H new ATOM 0 HG22 ILE A 4 17.872 3.303 90.480 1.00 13.78 H new ATOM 0 HG23 ILE A 4 17.483 4.838 90.446 1.00 13.78 H new ATOM 0 HD11 ILE A 4 15.852 5.787 94.126 1.00 14.36 H new ATOM 0 HD12 ILE A 4 16.373 4.292 94.155 1.00 14.36 H new ATOM 0 HD13 ILE A 4 17.174 5.394 93.347 1.00 14.36 H new ATOM 53 N LEU A 5 16.368 2.462 88.337 1.00 12.33 N ATOM 54 CA LEU A 5 17.102 1.416 87.637 1.00 12.35 C ATOM 55 C LEU A 5 18.555 1.475 88.100 1.00 12.52 C ATOM 56 O LEU A 5 19.204 2.510 87.950 1.00 12.01 O ATOM 57 CB LEU A 5 17.041 1.655 86.140 1.00 12.21 C ATOM 58 CG LEU A 5 17.766 0.618 85.279 1.00 13.27 C ATOM 59 CD1 LEU A 5 17.165 -0.790 85.477 1.00 12.35 C ATOM 60 CD2 LEU A 5 17.688 1.093 83.837 1.00 14.44 C ATOM 0 H LEU A 5 16.404 3.234 87.959 1.00 12.33 H new ATOM 0 HA LEU A 5 16.714 0.548 87.830 1.00 12.35 H new ATOM 0 HB2 LEU A 5 16.110 1.683 85.870 1.00 12.21 H new ATOM 0 HB3 LEU A 5 17.417 2.529 85.952 1.00 12.21 H new ATOM 0 HG LEU A 5 18.697 0.539 85.541 1.00 13.27 H new ATOM 0 HD11 LEU A 5 17.641 -1.427 84.921 1.00 12.35 H new ATOM 0 HD12 LEU A 5 17.247 -1.049 86.408 1.00 12.35 H new ATOM 0 HD13 LEU A 5 16.228 -0.780 85.226 1.00 12.35 H new ATOM 0 HD21 LEU A 5 18.140 0.456 83.261 1.00 14.44 H new ATOM 0 HD22 LEU A 5 16.758 1.167 83.570 1.00 14.44 H new ATOM 0 HD23 LEU A 5 18.116 1.960 83.758 1.00 14.44 H new ATOM 61 N VAL A 6 19.029 0.369 88.664 1.00 12.23 N ATOM 62 CA VAL A 6 20.382 0.268 89.217 1.00 12.72 C ATOM 63 C VAL A 6 21.222 -0.577 88.277 1.00 12.13 C ATOM 64 O VAL A 6 20.927 -1.755 88.060 1.00 11.80 O ATOM 65 CB VAL A 6 20.372 -0.358 90.646 1.00 13.43 C ATOM 66 CG1 VAL A 6 21.798 -0.723 91.082 1.00 14.46 C ATOM 67 CG2 VAL A 6 19.740 0.591 91.632 1.00 14.94 C ATOM 0 H VAL A 6 18.570 -0.355 88.739 1.00 12.23 H new ATOM 0 HA VAL A 6 20.759 1.158 89.298 1.00 12.72 H new ATOM 0 HB VAL A 6 19.843 -1.171 90.623 1.00 13.43 H new ATOM 0 HG11 VAL A 6 21.776 -1.110 91.971 1.00 14.46 H new ATOM 0 HG12 VAL A 6 22.173 -1.365 90.459 1.00 14.46 H new ATOM 0 HG13 VAL A 6 22.348 0.076 91.092 1.00 14.46 H new ATOM 0 HG21 VAL A 6 19.741 0.189 92.515 1.00 14.94 H new ATOM 0 HG22 VAL A 6 20.245 1.419 91.654 1.00 14.94 H new ATOM 0 HG23 VAL A 6 18.827 0.777 91.363 1.00 14.94 H new ATOM 68 N VAL A 7 22.297 -0.001 87.752 1.00 10.84 N ATOM 69 CA VAL A 7 23.086 -0.681 86.730 1.00 11.34 C ATOM 70 C VAL A 7 24.507 -0.872 87.242 1.00 10.76 C ATOM 71 O VAL A 7 25.203 0.097 87.496 1.00 10.83 O ATOM 72 CB VAL A 7 23.131 0.141 85.424 1.00 11.44 C ATOM 73 CG1 VAL A 7 23.788 -0.658 84.302 1.00 11.26 C ATOM 74 CG2 VAL A 7 21.685 0.547 85.000 1.00 12.90 C ATOM 0 H VAL A 7 22.586 0.779 87.971 1.00 10.84 H new ATOM 0 HA VAL A 7 22.672 -1.538 86.543 1.00 11.34 H new ATOM 0 HB VAL A 7 23.658 0.939 85.585 1.00 11.44 H new ATOM 0 HG11 VAL A 7 23.806 -0.124 83.492 1.00 11.26 H new ATOM 0 HG12 VAL A 7 24.695 -0.889 84.557 1.00 11.26 H new ATOM 0 HG13 VAL A 7 23.281 -1.470 84.143 1.00 11.26 H new ATOM 0 HG21 VAL A 7 21.721 1.063 84.179 1.00 12.90 H new ATOM 0 HG22 VAL A 7 21.153 -0.252 84.856 1.00 12.90 H new ATOM 0 HG23 VAL A 7 21.281 1.082 85.700 1.00 12.90 H new ATOM 75 N ASP A 8 24.920 -2.127 87.403 1.00 11.42 N ATOM 76 CA ASP A 8 26.290 -2.410 87.818 1.00 11.16 C ATOM 77 C ASP A 8 26.636 -3.835 87.400 1.00 11.35 C ATOM 78 O ASP A 8 25.783 -4.715 87.475 1.00 12.69 O ATOM 79 CB ASP A 8 26.426 -2.223 89.327 1.00 11.07 C ATOM 80 CG ASP A 8 27.876 -2.149 89.777 1.00 12.50 C ATOM 81 OD1 ASP A 8 28.606 -3.144 89.636 1.00 12.58 O ATOM 82 OD2 ASP A 8 28.255 -1.115 90.333 1.00 11.69 O ATOM 0 H ASP A 8 24.428 -2.821 87.278 1.00 11.42 H new ATOM 0 HA ASP A 8 26.908 -1.796 87.391 1.00 11.16 H new ATOM 0 HB2 ASP A 8 25.967 -1.411 89.592 1.00 11.07 H new ATOM 0 HB3 ASP A 8 25.987 -2.959 89.782 1.00 11.07 H new ATOM 83 N ASP A 9 27.877 -4.059 86.971 1.00 11.49 N ATOM 84 CA ASP A 9 28.271 -5.391 86.481 1.00 12.23 C ATOM 85 C ASP A 9 28.533 -6.383 87.599 1.00 13.31 C ATOM 86 O ASP A 9 28.561 -7.593 87.369 1.00 14.18 O ATOM 87 CB ASP A 9 29.493 -5.327 85.560 1.00 12.61 C ATOM 88 CG ASP A 9 30.723 -4.740 86.241 1.00 13.04 C ATOM 89 OD1 ASP A 9 30.599 -3.666 86.851 1.00 14.03 O ATOM 90 OD2 ASP A 9 31.829 -5.319 86.092 1.00 16.52 O ATOM 0 H ASP A 9 28.501 -3.467 86.953 1.00 11.49 H new ATOM 0 HA ASP A 9 27.508 -5.708 85.973 1.00 12.23 H new ATOM 0 HB2 ASP A 9 29.700 -6.220 85.244 1.00 12.61 H new ATOM 0 HB3 ASP A 9 29.276 -4.793 84.780 1.00 12.61 H new ATOM 91 N GLU A 10 28.753 -5.878 88.809 1.00 13.43 N ATOM 92 CA GLU A 10 29.054 -6.765 89.921 1.00 14.17 C ATOM 93 C GLU A 10 27.789 -7.177 90.671 1.00 14.67 C ATOM 94 O GLU A 10 27.151 -6.345 91.327 1.00 14.45 O ATOM 95 CB GLU A 10 30.074 -6.112 90.853 1.00 14.13 C ATOM 96 CG GLU A 10 31.386 -5.859 90.160 1.00 16.02 C ATOM 97 CD GLU A 10 32.408 -5.246 91.070 1.00 20.30 C ATOM 98 OE1 GLU A 10 32.992 -5.999 91.876 1.00 24.09 O ATOM 99 OE2 GLU A 10 32.633 -4.027 90.975 1.00 20.92 O ATOM 0 H GLU A 10 28.733 -5.040 89.003 1.00 13.43 H new ATOM 0 HA GLU A 10 29.444 -7.579 89.565 1.00 14.17 H new ATOM 0 HB2 GLU A 10 29.717 -5.274 91.186 1.00 14.13 H new ATOM 0 HB3 GLU A 10 30.220 -6.683 91.623 1.00 14.13 H new ATOM 0 HG2 GLU A 10 31.730 -6.696 89.810 1.00 16.02 H new ATOM 0 HG3 GLU A 10 31.240 -5.273 89.401 1.00 16.02 H new ATOM 100 N PRO A 11 27.432 -8.472 90.604 1.00 15.10 N ATOM 101 CA PRO A 11 26.180 -8.885 91.235 1.00 15.04 C ATOM 102 C PRO A 11 26.066 -8.588 92.724 1.00 14.96 C ATOM 103 O PRO A 11 24.992 -8.232 93.188 1.00 14.89 O ATOM 104 CB PRO A 11 26.140 -10.404 90.991 1.00 15.14 C ATOM 105 CG PRO A 11 27.500 -10.788 90.635 1.00 16.83 C ATOM 106 CD PRO A 11 28.123 -9.605 89.962 1.00 15.40 C ATOM 0 HA PRO A 11 25.440 -8.386 90.855 1.00 15.04 H new ATOM 0 HB2 PRO A 11 25.842 -10.876 91.785 1.00 15.14 H new ATOM 0 HB3 PRO A 11 25.519 -10.625 90.280 1.00 15.14 H new ATOM 0 HG2 PRO A 11 28.004 -11.039 91.425 1.00 16.83 H new ATOM 0 HG3 PRO A 11 27.496 -11.557 90.044 1.00 16.83 H new ATOM 0 HD2 PRO A 11 29.082 -9.571 90.105 1.00 15.40 H new ATOM 0 HD3 PRO A 11 27.980 -9.619 89.003 1.00 15.40 H new ATOM 107 N ASN A 12 27.144 -8.758 93.490 1.00 15.06 N ATOM 108 CA ASN A 12 27.023 -8.518 94.926 1.00 14.94 C ATOM 109 C ASN A 12 26.837 -7.029 95.252 1.00 14.79 C ATOM 110 O ASN A 12 26.271 -6.672 96.285 1.00 15.51 O ATOM 111 CB ASN A 12 28.233 -9.063 95.674 1.00 15.53 C ATOM 112 CG ASN A 12 28.460 -10.539 95.431 1.00 17.35 C ATOM 113 OD1 ASN A 12 27.514 -11.298 95.219 1.00 18.92 O ATOM 114 ND2 ASN A 12 29.724 -10.952 95.477 1.00 20.98 N ATOM 0 H ASN A 12 27.921 -9.001 93.214 1.00 15.06 H new ATOM 0 HA ASN A 12 26.228 -8.989 95.220 1.00 14.94 H new ATOM 0 HB2 ASN A 12 29.023 -8.570 95.404 1.00 15.53 H new ATOM 0 HB3 ASN A 12 28.115 -8.911 96.625 1.00 15.53 H new ATOM 0 HD21 ASN A 12 29.910 -11.783 95.356 1.00 20.98 H new ATOM 0 HD22 ASN A 12 30.355 -10.388 95.628 1.00 20.98 H new ATOM 115 N ILE A 13 27.344 -6.170 94.373 1.00 14.55 N ATOM 116 CA ILE A 13 27.164 -4.720 94.496 1.00 15.49 C ATOM 117 C ILE A 13 25.758 -4.309 94.089 1.00 15.58 C ATOM 118 O ILE A 13 25.125 -3.494 94.786 1.00 16.96 O ATOM 119 CB ILE A 13 28.248 -3.914 93.680 1.00 15.60 C ATOM 120 CG1 ILE A 13 29.673 -4.299 94.136 1.00 15.32 C ATOM 121 CG2 ILE A 13 27.999 -2.390 93.783 1.00 16.08 C ATOM 122 CD1 ILE A 13 29.963 -4.139 95.614 1.00 18.22 C ATOM 0 H ILE A 13 27.803 -6.409 93.686 1.00 14.55 H new ATOM 0 HA ILE A 13 27.288 -4.496 95.432 1.00 15.49 H new ATOM 0 HB ILE A 13 28.168 -4.154 92.743 1.00 15.60 H new ATOM 0 HG12 ILE A 13 29.833 -5.224 93.891 1.00 15.32 H new ATOM 0 HG13 ILE A 13 30.309 -3.760 93.640 1.00 15.32 H new ATOM 0 HG21 ILE A 13 28.676 -1.916 93.275 1.00 16.08 H new ATOM 0 HG22 ILE A 13 27.122 -2.180 93.426 1.00 16.08 H new ATOM 0 HG23 ILE A 13 28.043 -2.117 94.713 1.00 16.08 H new ATOM 0 HD11 ILE A 13 30.878 -4.405 95.795 1.00 18.22 H new ATOM 0 HD12 ILE A 13 29.840 -3.211 95.869 1.00 18.22 H new ATOM 0 HD13 ILE A 13 29.357 -4.698 96.125 1.00 18.22 H new ATOM 123 N ARG A 14 25.248 -4.868 92.997 1.00 16.56 N ATOM 124 CA ARG A 14 23.823 -4.694 92.656 1.00 17.56 C ATOM 125 C ARG A 14 22.943 -5.024 93.852 1.00 17.85 C ATOM 126 O ARG A 14 22.069 -4.236 94.223 1.00 17.90 O ATOM 127 CB ARG A 14 23.397 -5.581 91.487 1.00 18.21 C ATOM 128 CG ARG A 14 24.006 -5.204 90.154 1.00 18.00 C ATOM 129 CD ARG A 14 23.212 -5.772 88.977 1.00 18.97 C ATOM 130 NE ARG A 14 23.169 -7.229 88.880 1.00 21.83 N ATOM 131 CZ ARG A 14 24.110 -7.993 88.325 1.00 21.74 C ATOM 132 NH1 ARG A 14 25.225 -7.458 87.829 1.00 20.30 N ATOM 133 NH2 ARG A 14 23.934 -9.317 88.263 1.00 21.50 N ATOM 0 H ARG A 14 25.697 -5.347 92.441 1.00 16.56 H new ATOM 0 HA ARG A 14 23.713 -3.765 92.400 1.00 17.56 H new ATOM 0 HB2 ARG A 14 23.635 -6.499 91.690 1.00 18.21 H new ATOM 0 HB3 ARG A 14 22.431 -5.549 91.408 1.00 18.21 H new ATOM 0 HG2 ARG A 14 24.045 -4.238 90.080 1.00 18.00 H new ATOM 0 HG3 ARG A 14 24.919 -5.529 90.113 1.00 18.00 H new ATOM 0 HD2 ARG A 14 22.302 -5.442 89.034 1.00 18.97 H new ATOM 0 HD3 ARG A 14 23.590 -5.421 88.155 1.00 18.97 H new ATOM 0 HE ARG A 14 22.480 -7.626 89.208 1.00 21.83 H new ATOM 0 HH11 ARG A 14 25.346 -6.607 87.864 1.00 20.30 H new ATOM 0 HH12 ARG A 14 25.823 -7.963 87.474 1.00 20.30 H new ATOM 0 HH21 ARG A 14 23.217 -9.671 88.580 1.00 21.50 H new ATOM 0 HH22 ARG A 14 24.538 -9.815 87.906 1.00 21.50 H new ATOM 134 N GLU A 15 23.186 -6.194 94.452 1.00 18.13 N ATOM 135 CA GLU A 15 22.429 -6.655 95.615 1.00 19.54 C ATOM 136 C GLU A 15 22.502 -5.681 96.792 1.00 17.84 C ATOM 137 O GLU A 15 21.478 -5.374 97.408 1.00 17.91 O ATOM 138 CB GLU A 15 22.904 -8.047 96.044 1.00 19.61 C ATOM 139 CG GLU A 15 22.146 -8.678 97.234 1.00 21.90 C ATOM 140 CD GLU A 15 22.542 -10.143 97.438 1.00 24.36 C ATOM 141 OE1 GLU A 15 22.633 -10.885 96.432 1.00 29.63 O ATOM 142 OE2 GLU A 15 22.782 -10.544 98.597 1.00 30.64 O ATOM 0 H GLU A 15 23.796 -6.742 94.193 1.00 18.13 H new ATOM 0 HA GLU A 15 21.499 -6.701 95.345 1.00 19.54 H new ATOM 0 HB2 GLU A 15 22.832 -8.644 95.283 1.00 19.61 H new ATOM 0 HB3 GLU A 15 23.845 -7.993 96.274 1.00 19.61 H new ATOM 0 HG2 GLU A 15 22.334 -8.175 98.042 1.00 21.90 H new ATOM 0 HG3 GLU A 15 21.190 -8.619 97.079 1.00 21.90 H new ATOM 143 N LEU A 16 23.707 -5.208 97.119 1.00 16.37 N ATOM 144 CA LEU A 16 23.891 -4.258 98.193 1.00 16.63 C ATOM 145 C LEU A 16 23.112 -2.986 97.887 1.00 16.26 C ATOM 146 O LEU A 16 22.376 -2.496 98.733 1.00 16.21 O ATOM 147 CB LEU A 16 25.379 -3.945 98.394 1.00 16.23 C ATOM 148 CG LEU A 16 25.818 -2.873 99.381 1.00 17.19 C ATOM 149 CD1 LEU A 16 25.313 -3.170 100.793 1.00 18.66 C ATOM 150 CD2 LEU A 16 27.342 -2.745 99.347 1.00 17.77 C ATOM 0 H LEU A 16 24.434 -5.434 96.719 1.00 16.37 H new ATOM 0 HA LEU A 16 23.555 -4.645 99.017 1.00 16.63 H new ATOM 0 HB2 LEU A 16 25.812 -4.772 98.658 1.00 16.23 H new ATOM 0 HB3 LEU A 16 25.739 -3.701 97.527 1.00 16.23 H new ATOM 0 HG LEU A 16 25.426 -2.026 99.118 1.00 17.19 H new ATOM 0 HD11 LEU A 16 25.609 -2.470 101.396 1.00 18.66 H new ATOM 0 HD12 LEU A 16 24.344 -3.205 100.790 1.00 18.66 H new ATOM 0 HD13 LEU A 16 25.666 -4.023 101.090 1.00 18.66 H new ATOM 0 HD21 LEU A 16 27.624 -2.062 99.976 1.00 17.77 H new ATOM 0 HD22 LEU A 16 27.744 -3.594 99.591 1.00 17.77 H new ATOM 0 HD23 LEU A 16 27.626 -2.498 98.453 1.00 17.77 H new ATOM 151 N LEU A 17 23.278 -2.454 96.679 1.00 15.53 N ATOM 152 CA LEU A 17 22.603 -1.188 96.358 1.00 15.34 C ATOM 153 C LEU A 17 21.080 -1.334 96.400 1.00 15.50 C ATOM 154 O LEU A 17 20.381 -0.438 96.890 1.00 15.88 O ATOM 155 CB LEU A 17 23.057 -0.644 95.000 1.00 15.11 C ATOM 156 CG LEU A 17 24.542 -0.288 94.917 1.00 13.43 C ATOM 157 CD1 LEU A 17 24.956 -0.096 93.431 1.00 15.49 C ATOM 158 CD2 LEU A 17 24.902 0.929 95.757 1.00 15.04 C ATOM 0 H LEU A 17 23.757 -2.791 96.049 1.00 15.53 H new ATOM 0 HA LEU A 17 22.858 -0.548 97.040 1.00 15.34 H new ATOM 0 HB2 LEU A 17 22.857 -1.304 94.318 1.00 15.11 H new ATOM 0 HB3 LEU A 17 22.535 0.147 94.792 1.00 15.11 H new ATOM 0 HG LEU A 17 25.044 -1.028 95.292 1.00 13.43 H new ATOM 0 HD11 LEU A 17 25.898 0.130 93.384 1.00 15.49 H new ATOM 0 HD12 LEU A 17 24.796 -0.918 92.941 1.00 15.49 H new ATOM 0 HD13 LEU A 17 24.433 0.620 93.039 1.00 15.49 H new ATOM 0 HD21 LEU A 17 25.851 1.113 95.671 1.00 15.04 H new ATOM 0 HD22 LEU A 17 24.395 1.696 95.449 1.00 15.04 H new ATOM 0 HD23 LEU A 17 24.690 0.754 96.687 1.00 15.04 H new ATOM 159 N LYS A 18 20.582 -2.457 95.896 1.00 16.45 N ATOM 160 CA LYS A 18 19.153 -2.768 95.931 1.00 17.42 C ATOM 161 C LYS A 18 18.640 -2.786 97.366 1.00 18.80 C ATOM 162 O LYS A 18 17.649 -2.125 97.684 1.00 18.93 O ATOM 163 CB LYS A 18 18.860 -4.084 95.226 1.00 17.88 C ATOM 164 CG LYS A 18 17.385 -4.455 95.247 1.00 20.11 C ATOM 165 CD LYS A 18 17.051 -5.445 94.162 1.00 24.00 C ATOM 166 CE LYS A 18 15.693 -6.096 94.431 1.00 28.33 C ATOM 167 NZ LYS A 18 14.852 -6.227 93.204 1.00 31.98 N ATOM 0 H LYS A 18 21.063 -3.064 95.522 1.00 16.45 H new ATOM 0 HA LYS A 18 18.681 -2.068 95.452 1.00 17.42 H new ATOM 0 HB2 LYS A 18 19.160 -4.026 94.306 1.00 17.88 H new ATOM 0 HB3 LYS A 18 19.372 -4.792 95.647 1.00 17.88 H new ATOM 0 HG2 LYS A 18 17.157 -4.831 96.112 1.00 20.11 H new ATOM 0 HG3 LYS A 18 16.847 -3.656 95.134 1.00 20.11 H new ATOM 0 HD2 LYS A 18 17.037 -4.998 93.301 1.00 24.00 H new ATOM 0 HD3 LYS A 18 17.739 -6.127 94.116 1.00 24.00 H new ATOM 0 HE2 LYS A 18 15.833 -6.975 94.816 1.00 28.33 H new ATOM 0 HE3 LYS A 18 15.214 -5.570 95.090 1.00 28.33 H new ATOM 0 HZ1 LYS A 18 14.077 -6.610 93.415 1.00 31.98 H new ATOM 0 HZ2 LYS A 18 14.700 -5.420 92.860 1.00 31.98 H new ATOM 0 HZ3 LYS A 18 15.277 -6.729 92.605 1.00 31.98 H new ATOM 168 N GLU A 19 19.345 -3.491 98.250 1.00 19.30 N ATOM 169 CA GLU A 19 18.977 -3.461 99.685 1.00 20.16 C ATOM 170 C GLU A 19 18.988 -2.085 100.330 1.00 20.16 C ATOM 171 O GLU A 19 18.049 -1.729 101.058 1.00 20.99 O ATOM 172 CB GLU A 19 19.848 -4.427 100.481 1.00 19.97 C ATOM 173 CG GLU A 19 19.735 -5.803 99.924 1.00 23.62 C ATOM 174 CD GLU A 19 20.784 -6.758 100.451 1.00 27.33 C ATOM 175 OE1 GLU A 19 21.876 -6.303 100.871 1.00 28.59 O ATOM 176 OE2 GLU A 19 20.508 -7.977 100.421 1.00 30.83 O ATOM 0 H GLU A 19 20.023 -3.983 98.056 1.00 19.30 H new ATOM 0 HA GLU A 19 18.049 -3.743 99.710 1.00 20.16 H new ATOM 0 HB2 GLU A 19 20.773 -4.135 100.454 1.00 19.97 H new ATOM 0 HB3 GLU A 19 19.577 -4.425 101.412 1.00 19.97 H new ATOM 0 HG2 GLU A 19 18.855 -6.156 100.129 1.00 23.62 H new ATOM 0 HG3 GLU A 19 19.805 -5.759 98.957 1.00 23.62 H new ATOM 177 N GLU A 20 20.033 -1.301 100.076 1.00 19.60 N ATOM 178 CA GLU A 20 20.183 0.018 100.683 1.00 19.48 C ATOM 179 C GLU A 20 19.082 0.979 100.226 1.00 20.09 C ATOM 180 O GLU A 20 18.576 1.799 101.005 1.00 19.97 O ATOM 181 CB GLU A 20 21.566 0.602 100.351 1.00 19.86 C ATOM 182 CG GLU A 20 22.735 0.013 101.187 1.00 21.40 C ATOM 183 CD GLU A 20 22.723 0.453 102.662 1.00 23.95 C ATOM 184 OE1 GLU A 20 22.310 1.598 102.976 1.00 24.69 O ATOM 185 OE2 GLU A 20 23.147 -0.351 103.526 1.00 24.83 O ATOM 0 H GLU A 20 20.675 -1.519 99.547 1.00 19.60 H new ATOM 0 HA GLU A 20 20.103 -0.089 101.644 1.00 19.48 H new ATOM 0 HB2 GLU A 20 21.750 0.453 99.410 1.00 19.86 H new ATOM 0 HB3 GLU A 20 21.539 1.562 100.486 1.00 19.86 H new ATOM 0 HG2 GLU A 20 22.696 -0.955 101.146 1.00 21.40 H new ATOM 0 HG3 GLU A 20 23.576 0.280 100.785 1.00 21.40 H new ATOM 186 N LEU A 21 18.721 0.870 98.956 1.00 19.73 N ATOM 187 CA LEU A 21 17.771 1.821 98.387 1.00 20.42 C ATOM 188 C LEU A 21 16.348 1.432 98.743 1.00 21.54 C ATOM 189 O LEU A 21 15.511 2.314 98.948 1.00 21.49 O ATOM 190 CB LEU A 21 17.977 1.961 96.877 1.00 19.60 C ATOM 191 CG LEU A 21 19.285 2.668 96.532 1.00 19.08 C ATOM 192 CD1 LEU A 21 19.632 2.424 95.080 1.00 18.29 C ATOM 193 CD2 LEU A 21 19.237 4.180 96.855 1.00 17.97 C ATOM 0 H LEU A 21 19.006 0.266 98.414 1.00 19.73 H new ATOM 0 HA LEU A 21 17.934 2.695 98.775 1.00 20.42 H new ATOM 0 HB2 LEU A 21 17.970 1.081 96.469 1.00 19.60 H new ATOM 0 HB3 LEU A 21 17.235 2.456 96.496 1.00 19.60 H new ATOM 0 HG LEU A 21 19.985 2.293 97.090 1.00 19.08 H new ATOM 0 HD11 LEU A 21 20.464 2.875 94.866 1.00 18.29 H new ATOM 0 HD12 LEU A 21 19.732 1.471 94.927 1.00 18.29 H new ATOM 0 HD13 LEU A 21 18.923 2.769 94.515 1.00 18.29 H new ATOM 0 HD21 LEU A 21 20.085 4.588 96.621 1.00 17.97 H new ATOM 0 HD22 LEU A 21 18.526 4.598 96.344 1.00 17.97 H new ATOM 0 HD23 LEU A 21 19.070 4.304 97.802 1.00 17.97 H new ATOM 194 N GLN A 22 16.094 0.127 98.860 1.00 22.99 N ATOM 195 CA GLN A 22 14.794 -0.379 99.341 1.00 25.25 C ATOM 196 C GLN A 22 14.511 0.131 100.755 1.00 26.10 C ATOM 197 O GLN A 22 13.373 0.489 101.063 1.00 26.41 O ATOM 198 CB GLN A 22 14.719 -1.907 99.280 1.00 24.76 C ATOM 199 CG GLN A 22 14.456 -2.445 97.891 1.00 25.62 C ATOM 200 CD GLN A 22 14.438 -3.962 97.778 1.00 26.13 C ATOM 201 OE1 GLN A 22 13.944 -4.490 96.791 1.00 28.52 O ATOM 202 NE2 GLN A 22 14.993 -4.663 98.773 1.00 26.75 N ATOM 0 H GLN A 22 16.662 -0.489 98.666 1.00 22.99 H new ATOM 0 HA GLN A 22 14.107 -0.037 98.748 1.00 25.25 H new ATOM 0 HB2 GLN A 22 15.552 -2.278 99.610 1.00 24.76 H new ATOM 0 HB3 GLN A 22 14.017 -2.213 99.876 1.00 24.76 H new ATOM 0 HG2 GLN A 22 13.603 -2.102 97.583 1.00 25.62 H new ATOM 0 HG3 GLN A 22 15.135 -2.098 97.291 1.00 25.62 H new ATOM 0 HE21 GLN A 22 15.330 -4.255 99.451 1.00 26.75 H new ATOM 0 HE22 GLN A 22 15.013 -5.522 98.735 1.00 26.75 H new ATOM 203 N GLU A 23 15.548 0.200 101.588 1.00 26.99 N ATOM 204 CA GLU A 23 15.441 0.750 102.948 1.00 28.47 C ATOM 205 C GLU A 23 15.043 2.232 102.976 1.00 28.31 C ATOM 206 O GLU A 23 14.393 2.694 103.922 1.00 28.53 O ATOM 207 CB GLU A 23 16.756 0.555 103.709 1.00 28.41 C ATOM 208 CG GLU A 23 16.766 1.098 105.138 1.00 31.09 C ATOM 209 CD GLU A 23 18.165 1.190 105.723 1.00 31.39 C ATOM 210 OE1 GLU A 23 19.139 0.868 104.997 1.00 35.18 O ATOM 211 OE2 GLU A 23 18.293 1.585 106.909 1.00 35.91 O ATOM 0 H GLU A 23 16.338 -0.071 101.383 1.00 26.99 H new ATOM 0 HA GLU A 23 14.728 0.257 103.383 1.00 28.47 H new ATOM 0 HB2 GLU A 23 16.960 -0.393 103.737 1.00 28.41 H new ATOM 0 HB3 GLU A 23 17.469 0.984 103.210 1.00 28.41 H new ATOM 0 HG2 GLU A 23 16.357 1.978 105.148 1.00 31.09 H new ATOM 0 HG3 GLU A 23 16.222 0.526 105.701 1.00 31.09 H new ATOM 212 N GLU A 24 15.442 2.988 101.957 1.00 28.36 N ATOM 213 CA GLU A 24 15.094 4.417 101.894 1.00 28.12 C ATOM 214 C GLU A 24 13.702 4.665 101.325 1.00 27.37 C ATOM 215 O GLU A 24 13.207 5.802 101.294 1.00 27.64 O ATOM 216 CB GLU A 24 16.136 5.178 101.086 1.00 28.33 C ATOM 217 CG GLU A 24 17.495 5.136 101.729 1.00 30.52 C ATOM 218 CD GLU A 24 17.480 5.619 103.180 1.00 33.72 C ATOM 219 OE1 GLU A 24 16.985 6.738 103.427 1.00 35.06 O ATOM 220 OE2 GLU A 24 17.973 4.882 104.069 1.00 35.16 O ATOM 0 H GLU A 24 15.911 2.702 101.295 1.00 28.36 H new ATOM 0 HA GLU A 24 15.086 4.744 102.807 1.00 28.12 H new ATOM 0 HB2 GLU A 24 16.190 4.801 100.194 1.00 28.33 H new ATOM 0 HB3 GLU A 24 15.855 6.101 100.987 1.00 28.33 H new ATOM 0 HG2 GLU A 24 17.835 4.228 101.698 1.00 30.52 H new ATOM 0 HG3 GLU A 24 18.108 5.686 101.216 1.00 30.52 H new ATOM 221 N GLY A 25 13.087 3.599 100.850 1.00 26.15 N ATOM 222 CA GLY A 25 11.708 3.659 100.432 1.00 25.37 C ATOM 223 C GLY A 25 11.466 3.576 98.939 1.00 24.70 C ATOM 224 O GLY A 25 10.362 3.887 98.491 1.00 24.51 O ATOM 0 H GLY A 25 13.455 2.827 100.762 1.00 26.15 H new ATOM 0 HA2 GLY A 25 11.226 2.935 100.861 1.00 25.37 H new ATOM 0 HA3 GLY A 25 11.325 4.488 100.759 1.00 25.37 H new ATOM 225 N TYR A 26 12.468 3.137 98.174 1.00 23.31 N ATOM 226 CA TYR A 26 12.336 3.080 96.707 1.00 22.81 C ATOM 227 C TYR A 26 12.169 1.687 96.156 1.00 22.73 C ATOM 228 O TYR A 26 12.615 0.706 96.763 1.00 23.04 O ATOM 229 CB TYR A 26 13.570 3.671 96.021 1.00 22.58 C ATOM 230 CG TYR A 26 13.969 5.002 96.535 1.00 22.94 C ATOM 231 CD1 TYR A 26 13.131 6.106 96.383 1.00 21.59 C ATOM 232 CD2 TYR A 26 15.189 5.178 97.181 1.00 20.97 C ATOM 233 CE1 TYR A 26 13.498 7.339 96.862 1.00 24.21 C ATOM 234 CE2 TYR A 26 15.564 6.399 97.658 1.00 23.28 C ATOM 235 CZ TYR A 26 14.711 7.489 97.503 1.00 22.55 C ATOM 236 OH TYR A 26 15.082 8.721 97.967 1.00 23.55 O ATOM 0 H TYR A 26 13.227 2.869 98.477 1.00 23.31 H new ATOM 0 HA TYR A 26 11.533 3.591 96.521 1.00 22.81 H new ATOM 0 HB2 TYR A 26 14.313 3.057 96.129 1.00 22.58 H new ATOM 0 HB3 TYR A 26 13.396 3.741 95.069 1.00 22.58 H new ATOM 0 HD1 TYR A 26 12.313 6.006 95.952 1.00 21.59 H new ATOM 0 HD2 TYR A 26 15.758 4.450 97.289 1.00 20.97 H new ATOM 0 HE1 TYR A 26 12.932 8.069 96.755 1.00 24.21 H new ATOM 0 HE2 TYR A 26 16.384 6.503 98.084 1.00 23.28 H new ATOM 0 HH TYR A 26 15.790 8.651 98.414 1.00 23.55 H new ATOM 237 N GLU A 27 11.556 1.623 94.979 1.00 21.01 N ATOM 238 CA GLU A 27 11.423 0.399 94.209 1.00 20.26 C ATOM 239 C GLU A 27 12.576 0.255 93.231 1.00 19.69 C ATOM 240 O GLU A 27 12.867 1.175 92.466 1.00 19.21 O ATOM 241 CB GLU A 27 10.107 0.409 93.450 1.00 21.00 C ATOM 242 CG GLU A 27 9.880 -0.793 92.548 1.00 23.75 C ATOM 243 CD GLU A 27 8.407 -1.018 92.249 1.00 27.72 C ATOM 244 OE1 GLU A 27 7.596 -0.934 93.188 1.00 30.91 O ATOM 245 OE2 GLU A 27 8.070 -1.302 91.088 1.00 29.23 O ATOM 0 H GLU A 27 11.199 2.307 94.600 1.00 21.01 H new ATOM 0 HA GLU A 27 11.438 -0.354 94.821 1.00 20.26 H new ATOM 0 HB2 GLU A 27 9.380 0.459 94.090 1.00 21.00 H new ATOM 0 HB3 GLU A 27 10.066 1.214 92.911 1.00 21.00 H new ATOM 0 HG2 GLU A 27 10.361 -0.666 91.716 1.00 23.75 H new ATOM 0 HG3 GLU A 27 10.247 -1.586 92.970 1.00 23.75 H new ATOM 246 N ILE A 28 13.198 -0.920 93.230 1.00 18.80 N ATOM 247 CA ILE A 28 14.451 -1.095 92.510 1.00 18.36 C ATOM 248 C ILE A 28 14.402 -2.178 91.454 1.00 18.95 C ATOM 249 O ILE A 28 14.035 -3.312 91.760 1.00 19.77 O ATOM 250 CB ILE A 28 15.600 -1.439 93.490 1.00 17.49 C ATOM 251 CG1 ILE A 28 15.761 -0.384 94.600 1.00 16.54 C ATOM 252 CG2 ILE A 28 16.918 -1.689 92.709 1.00 17.02 C ATOM 253 CD1 ILE A 28 15.991 1.076 94.167 1.00 17.20 C ATOM 0 H ILE A 28 12.913 -1.622 93.637 1.00 18.80 H new ATOM 0 HA ILE A 28 14.608 -0.248 92.065 1.00 18.36 H new ATOM 0 HB ILE A 28 15.366 -2.262 93.948 1.00 17.49 H new ATOM 0 HG12 ILE A 28 14.966 -0.410 95.155 1.00 16.54 H new ATOM 0 HG13 ILE A 28 16.506 -0.651 95.160 1.00 16.54 H new ATOM 0 HG21 ILE A 28 17.629 -1.903 93.333 1.00 17.02 H new ATOM 0 HG22 ILE A 28 16.795 -2.429 92.094 1.00 17.02 H new ATOM 0 HG23 ILE A 28 17.155 -0.891 92.211 1.00 17.02 H new ATOM 0 HD11 ILE A 28 16.076 1.637 94.953 1.00 17.20 H new ATOM 0 HD12 ILE A 28 16.803 1.133 93.640 1.00 17.20 H new ATOM 0 HD13 ILE A 28 15.239 1.378 93.634 1.00 17.20 H new ATOM 254 N ASP A 29 14.766 -1.827 90.215 1.00 18.49 N ATOM 255 CA AASP A 29 15.066 -2.787 89.158 0.70 18.70 C ATOM 256 CA BASP A 29 15.082 -2.824 89.195 0.30 18.38 C ATOM 257 C ASP A 29 16.565 -2.732 88.871 1.00 18.61 C ATOM 258 O ASP A 29 17.191 -1.711 89.118 1.00 18.87 O ATOM 259 CB AASP A 29 14.296 -2.441 87.888 0.70 19.15 C ATOM 260 CB BASP A 29 14.250 -2.641 87.925 0.30 18.55 C ATOM 261 CG AASP A 29 12.800 -2.729 88.005 0.70 21.71 C ATOM 262 CG BASP A 29 14.400 -3.811 86.951 0.30 18.25 C ATOM 263 OD1AASP A 29 12.353 -3.262 89.049 0.70 23.04 O ATOM 264 OD1BASP A 29 14.640 -4.953 87.398 0.30 19.39 O ATOM 265 OD2AASP A 29 12.068 -2.429 87.041 0.70 22.57 O ATOM 266 OD2BASP A 29 14.285 -3.586 85.731 0.30 19.73 O ATOM 0 H AASP A 29 14.845 -1.008 89.966 0.70 18.49 H new ATOM 0 H BASP A 29 14.835 -1.012 89.948 0.30 18.49 H new ATOM 0 HA AASP A 29 14.804 -3.676 89.444 0.70 18.38 H new ATOM 0 HA BASP A 29 14.864 -3.701 89.546 0.30 18.38 H new ATOM 0 HB2AASP A 29 14.425 -1.502 87.682 0.70 18.55 H new ATOM 0 HB2BASP A 29 13.316 -2.543 88.166 0.30 18.55 H new ATOM 0 HB3AASP A 29 14.661 -2.947 87.145 0.70 18.55 H new ATOM 0 HB3BASP A 29 14.517 -1.820 87.483 0.30 18.55 H new ATOM 267 N THR A 30 17.120 -3.811 88.333 1.00 17.59 N ATOM 268 CA THR A 30 18.565 -3.885 88.105 1.00 17.15 C ATOM 269 C THR A 30 18.913 -4.296 86.672 1.00 17.05 C ATOM 270 O THR A 30 18.096 -4.899 85.966 1.00 17.09 O ATOM 271 CB THR A 30 19.232 -4.860 89.093 1.00 17.34 C ATOM 272 OG1 THR A 30 18.696 -6.173 88.878 1.00 19.01 O ATOM 273 CG2 THR A 30 19.000 -4.447 90.562 1.00 17.33 C ATOM 0 H THR A 30 16.682 -4.511 88.092 1.00 17.59 H new ATOM 0 HA THR A 30 18.908 -2.990 88.251 1.00 17.15 H new ATOM 0 HB THR A 30 20.189 -4.845 88.933 1.00 17.34 H new ATOM 0 HG1 THR A 30 19.183 -6.589 88.334 1.00 19.01 H new ATOM 0 HG21 THR A 30 19.434 -5.084 91.150 1.00 17.33 H new ATOM 0 HG22 THR A 30 19.371 -3.564 90.712 1.00 17.33 H new ATOM 0 HG23 THR A 30 18.048 -4.433 90.748 1.00 17.33 H new ATOM 274 N ALA A 31 20.128 -3.947 86.247 1.00 15.96 N ATOM 275 CA ALA A 31 20.669 -4.388 84.967 1.00 15.79 C ATOM 276 C ALA A 31 22.146 -4.664 85.170 1.00 15.73 C ATOM 277 O ALA A 31 22.804 -3.971 85.956 1.00 15.64 O ATOM 278 CB ALA A 31 20.451 -3.326 83.886 1.00 15.51 C ATOM 0 H ALA A 31 20.662 -3.445 86.697 1.00 15.96 H new ATOM 0 HA ALA A 31 20.215 -5.190 84.666 1.00 15.79 H new ATOM 0 HB1 ALA A 31 20.818 -3.640 83.045 1.00 15.51 H new ATOM 0 HB2 ALA A 31 19.501 -3.160 83.782 1.00 15.51 H new ATOM 0 HB3 ALA A 31 20.896 -2.504 84.145 1.00 15.51 H new ATOM 279 N GLU A 32 22.654 -5.663 84.453 1.00 15.47 N ATOM 280 CA GLU A 32 24.002 -6.166 84.661 1.00 17.15 C ATOM 281 C GLU A 32 25.014 -5.644 83.651 1.00 15.36 C ATOM 282 O GLU A 32 26.213 -5.875 83.800 1.00 14.94 O ATOM 283 CB GLU A 32 23.999 -7.700 84.643 1.00 16.97 C ATOM 284 CG GLU A 32 23.737 -8.318 83.291 1.00 20.25 C ATOM 285 CD GLU A 32 23.668 -9.833 83.351 1.00 22.43 C ATOM 286 OE1 GLU A 32 24.158 -10.416 84.347 1.00 28.22 O ATOM 287 OE2 GLU A 32 23.115 -10.432 82.402 1.00 29.70 O ATOM 0 H GLU A 32 22.222 -6.068 83.830 1.00 15.47 H new ATOM 0 HA GLU A 32 24.282 -5.836 85.529 1.00 17.15 H new ATOM 0 HB2 GLU A 32 24.856 -8.016 84.968 1.00 16.97 H new ATOM 0 HB3 GLU A 32 23.325 -8.017 85.265 1.00 16.97 H new ATOM 0 HG2 GLU A 32 22.903 -7.973 82.936 1.00 20.25 H new ATOM 0 HG3 GLU A 32 24.438 -8.053 82.676 1.00 20.25 H new ATOM 288 N ASN A 33 24.518 -4.990 82.609 1.00 14.66 N ATOM 289 CA ASN A 33 25.371 -4.366 81.621 1.00 14.52 C ATOM 290 C ASN A 33 24.685 -3.173 80.955 1.00 14.72 C ATOM 291 O ASN A 33 23.492 -2.907 81.194 1.00 14.88 O ATOM 292 CB ASN A 33 25.905 -5.390 80.596 1.00 15.45 C ATOM 293 CG ASN A 33 24.818 -5.978 79.732 1.00 15.96 C ATOM 294 OD1 ASN A 33 23.983 -5.261 79.181 1.00 17.01 O ATOM 295 ND2 ASN A 33 24.820 -7.299 79.608 1.00 20.18 N ATOM 0 H ASN A 33 23.676 -4.898 82.458 1.00 14.66 H new ATOM 0 HA ASN A 33 26.146 -4.015 82.087 1.00 14.52 H new ATOM 0 HB2 ASN A 33 26.565 -4.960 80.030 1.00 15.45 H new ATOM 0 HB3 ASN A 33 26.359 -6.106 81.067 1.00 15.45 H new ATOM 0 HD21 ASN A 33 24.221 -7.687 79.127 1.00 20.18 H new ATOM 0 HD22 ASN A 33 25.420 -7.768 80.008 1.00 20.18 H new ATOM 296 N GLY A 34 25.458 -2.462 80.135 1.00 14.38 N ATOM 297 CA GLY A 34 25.018 -1.221 79.516 1.00 15.12 C ATOM 298 C GLY A 34 23.904 -1.423 78.505 1.00 15.78 C ATOM 299 O GLY A 34 22.946 -0.638 78.478 1.00 15.83 O ATOM 0 H GLY A 34 26.259 -2.692 79.923 1.00 14.38 H new ATOM 0 HA2 GLY A 34 24.714 -0.611 80.207 1.00 15.12 H new ATOM 0 HA3 GLY A 34 25.773 -0.799 79.077 1.00 15.12 H new ATOM 300 N GLU A 35 24.042 -2.446 77.665 1.00 16.56 N ATOM 301 CA GLU A 35 23.028 -2.732 76.653 1.00 18.60 C ATOM 302 C GLU A 35 21.686 -3.056 77.321 1.00 17.29 C ATOM 303 O GLU A 35 20.637 -2.513 76.915 1.00 17.40 O ATOM 304 CB GLU A 35 23.465 -3.851 75.696 1.00 18.65 C ATOM 305 CG GLU A 35 22.445 -4.119 74.583 1.00 22.54 C ATOM 306 CD GLU A 35 22.821 -5.285 73.651 1.00 23.37 C ATOM 307 OE1 GLU A 35 23.948 -5.273 73.095 1.00 31.15 O ATOM 308 OE2 GLU A 35 21.970 -6.191 73.447 1.00 28.70 O ATOM 0 H GLU A 35 24.712 -2.985 77.664 1.00 16.56 H new ATOM 0 HA GLU A 35 22.917 -1.935 76.112 1.00 18.60 H new ATOM 0 HB2 GLU A 35 24.317 -3.614 75.297 1.00 18.65 H new ATOM 0 HB3 GLU A 35 23.606 -4.666 76.202 1.00 18.65 H new ATOM 0 HG2 GLU A 35 21.583 -4.305 74.986 1.00 22.54 H new ATOM 0 HG3 GLU A 35 22.342 -3.314 74.052 1.00 22.54 H new ATOM 309 N GLU A 36 21.718 -3.903 78.357 1.00 16.88 N ATOM 310 CA GLU A 36 20.507 -4.239 79.115 1.00 17.55 C ATOM 311 C GLU A 36 19.922 -2.990 79.749 1.00 16.49 C ATOM 312 O GLU A 36 18.707 -2.786 79.751 1.00 15.61 O ATOM 313 CB GLU A 36 20.786 -5.301 80.198 1.00 17.53 C ATOM 314 CG GLU A 36 19.519 -5.710 80.973 1.00 20.18 C ATOM 315 CD GLU A 36 19.728 -6.681 82.161 1.00 20.78 C ATOM 316 OE1 GLU A 36 20.868 -6.922 82.610 1.00 22.30 O ATOM 317 OE2 GLU A 36 18.696 -7.199 82.669 1.00 26.61 O ATOM 0 H GLU A 36 22.432 -4.293 78.636 1.00 16.88 H new ATOM 0 HA GLU A 36 19.866 -4.614 78.491 1.00 17.55 H new ATOM 0 HB2 GLU A 36 21.174 -6.087 79.782 1.00 17.53 H new ATOM 0 HB3 GLU A 36 21.444 -4.956 80.821 1.00 17.53 H new ATOM 0 HG2 GLU A 36 19.094 -4.905 81.308 1.00 20.18 H new ATOM 0 HG3 GLU A 36 18.899 -6.120 80.350 1.00 20.18 H new ATOM 318 N ALA A 37 20.798 -2.132 80.271 1.00 15.72 N ATOM 319 CA ALA A 37 20.362 -0.885 80.890 1.00 15.14 C ATOM 320 C ALA A 37 19.559 -0.010 79.932 1.00 14.82 C ATOM 321 O ALA A 37 18.510 0.523 80.300 1.00 14.80 O ATOM 322 CB ALA A 37 21.564 -0.105 81.417 1.00 14.88 C ATOM 0 H ALA A 37 21.649 -2.255 80.276 1.00 15.72 H new ATOM 0 HA ALA A 37 19.778 -1.124 81.627 1.00 15.14 H new ATOM 0 HB1 ALA A 37 21.260 0.721 81.825 1.00 14.88 H new ATOM 0 HB2 ALA A 37 22.032 -0.639 82.078 1.00 14.88 H new ATOM 0 HB3 ALA A 37 22.164 0.100 80.683 1.00 14.88 H new ATOM 323 N LEU A 38 20.064 0.133 78.711 1.00 14.60 N ATOM 324 CA LEU A 38 19.414 0.985 77.719 1.00 15.01 C ATOM 325 C LEU A 38 18.083 0.373 77.305 1.00 15.74 C ATOM 326 O LEU A 38 17.069 1.081 77.181 1.00 15.83 O ATOM 327 CB LEU A 38 20.316 1.216 76.501 1.00 14.75 C ATOM 328 CG LEU A 38 21.577 2.072 76.707 1.00 13.89 C ATOM 329 CD1 LEU A 38 22.448 2.049 75.449 1.00 17.40 C ATOM 330 CD2 LEU A 38 21.224 3.495 77.114 1.00 13.98 C ATOM 0 H LEU A 38 20.781 -0.254 78.436 1.00 14.60 H new ATOM 0 HA LEU A 38 19.249 1.852 78.121 1.00 15.01 H new ATOM 0 HB2 LEU A 38 20.593 0.349 76.165 1.00 14.75 H new ATOM 0 HB3 LEU A 38 19.781 1.632 75.807 1.00 14.75 H new ATOM 0 HG LEU A 38 22.088 1.687 77.436 1.00 13.89 H new ATOM 0 HD11 LEU A 38 23.239 2.592 75.593 1.00 17.40 H new ATOM 0 HD12 LEU A 38 22.714 1.136 75.256 1.00 17.40 H new ATOM 0 HD13 LEU A 38 21.944 2.404 74.700 1.00 17.40 H new ATOM 0 HD21 LEU A 38 22.038 4.008 77.236 1.00 13.98 H new ATOM 0 HD22 LEU A 38 20.684 3.906 76.421 1.00 13.98 H new ATOM 0 HD23 LEU A 38 20.724 3.480 77.945 1.00 13.98 H new ATOM 331 N LYS A 39 18.085 -0.945 77.100 1.00 16.05 N ATOM 332 CA LYS A 39 16.832 -1.632 76.750 1.00 17.79 C ATOM 333 C LYS A 39 15.773 -1.427 77.821 1.00 17.91 C ATOM 334 O LYS A 39 14.624 -1.051 77.525 1.00 17.95 O ATOM 335 CB LYS A 39 17.068 -3.122 76.567 1.00 17.26 C ATOM 336 CG LYS A 39 17.872 -3.481 75.347 1.00 21.43 C ATOM 337 CD LYS A 39 18.075 -4.990 75.267 1.00 26.73 C ATOM 338 CE LYS A 39 18.892 -5.357 74.042 1.00 29.43 C ATOM 339 NZ LYS A 39 19.289 -6.793 74.017 1.00 32.51 N ATOM 0 H LYS A 39 18.778 -1.451 77.156 1.00 16.05 H new ATOM 0 HA LYS A 39 16.517 -1.248 75.917 1.00 17.79 H new ATOM 0 HB2 LYS A 39 17.523 -3.465 77.352 1.00 17.26 H new ATOM 0 HB3 LYS A 39 16.209 -3.570 76.518 1.00 17.26 H new ATOM 0 HG2 LYS A 39 17.417 -3.168 74.550 1.00 21.43 H new ATOM 0 HG3 LYS A 39 18.733 -3.034 75.377 1.00 21.43 H new ATOM 0 HD2 LYS A 39 18.525 -5.303 76.067 1.00 26.73 H new ATOM 0 HD3 LYS A 39 17.214 -5.435 75.233 1.00 26.73 H new ATOM 0 HE2 LYS A 39 18.379 -5.154 73.244 1.00 29.43 H new ATOM 0 HE3 LYS A 39 19.689 -4.805 74.014 1.00 29.43 H new ATOM 0 HZ1 LYS A 39 20.160 -6.857 73.846 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 19.114 -7.163 74.807 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 18.830 -7.217 73.383 1.00 32.51 H new ATOM 340 N LYS A 40 16.162 -1.663 79.068 1.00 17.47 N ATOM 341 CA LYS A 40 15.234 -1.456 80.172 1.00 18.44 C ATOM 342 C LYS A 40 14.791 0.000 80.309 1.00 18.47 C ATOM 343 O LYS A 40 13.603 0.278 80.489 1.00 18.68 O ATOM 344 CB LYS A 40 15.826 -1.980 81.482 1.00 17.77 C ATOM 345 CG LYS A 40 15.935 -3.479 81.522 1.00 19.51 C ATOM 346 CD LYS A 40 16.196 -3.960 82.930 1.00 21.16 C ATOM 347 CE LYS A 40 15.883 -5.422 83.026 1.00 24.16 C ATOM 348 NZ LYS A 40 16.047 -5.919 84.408 1.00 26.02 N ATOM 0 H LYS A 40 16.945 -1.939 79.294 1.00 17.47 H new ATOM 0 HA LYS A 40 14.435 -1.966 79.967 1.00 18.44 H new ATOM 0 HB2 LYS A 40 16.706 -1.594 81.610 1.00 17.77 H new ATOM 0 HB3 LYS A 40 15.275 -1.681 82.222 1.00 17.77 H new ATOM 0 HG2 LYS A 40 15.116 -3.876 81.187 1.00 19.51 H new ATOM 0 HG3 LYS A 40 16.652 -3.771 80.938 1.00 19.51 H new ATOM 0 HD2 LYS A 40 17.123 -3.802 83.169 1.00 21.16 H new ATOM 0 HD3 LYS A 40 15.651 -3.461 83.559 1.00 21.16 H new ATOM 0 HE2 LYS A 40 14.973 -5.580 82.730 1.00 24.16 H new ATOM 0 HE3 LYS A 40 16.465 -5.919 82.430 1.00 24.16 H new ATOM 0 HZ1 LYS A 40 16.172 -6.800 84.394 1.00 26.02 H new ATOM 0 HZ2 LYS A 40 16.751 -5.525 84.784 1.00 26.02 H new ATOM 0 HZ3 LYS A 40 15.316 -5.731 84.880 1.00 26.02 H new ATOM 349 N PHE A 41 15.732 0.942 80.213 1.00 17.69 N ATOM 350 CA PHE A 41 15.383 2.347 80.423 1.00 17.48 C ATOM 351 C PHE A 41 14.436 2.906 79.349 1.00 18.44 C ATOM 352 O PHE A 41 13.423 3.548 79.661 1.00 18.80 O ATOM 353 CB PHE A 41 16.630 3.218 80.544 1.00 17.60 C ATOM 354 CG PHE A 41 16.320 4.626 80.975 1.00 16.48 C ATOM 355 CD1 PHE A 41 15.950 5.594 80.038 1.00 17.73 C ATOM 356 CD2 PHE A 41 16.333 4.971 82.325 1.00 17.80 C ATOM 357 CE1 PHE A 41 15.637 6.897 80.445 1.00 16.13 C ATOM 358 CE2 PHE A 41 16.011 6.279 82.733 1.00 17.69 C ATOM 359 CZ PHE A 41 15.659 7.231 81.790 1.00 16.26 C ATOM 0 H PHE A 41 16.559 0.793 80.031 1.00 17.69 H new ATOM 0 HA PHE A 41 14.899 2.376 81.263 1.00 17.48 H new ATOM 0 HB2 PHE A 41 17.239 2.816 81.183 1.00 17.60 H new ATOM 0 HB3 PHE A 41 17.088 3.240 79.689 1.00 17.60 H new ATOM 0 HD1 PHE A 41 15.911 5.371 79.136 1.00 17.73 H new ATOM 0 HD2 PHE A 41 16.556 4.331 82.962 1.00 17.80 H new ATOM 0 HE1 PHE A 41 15.414 7.540 79.811 1.00 16.13 H new ATOM 0 HE2 PHE A 41 16.035 6.504 83.635 1.00 17.69 H new ATOM 0 HZ PHE A 41 15.438 8.093 82.059 1.00 16.26 H new ATOM 360 N PHE A 42 14.778 2.671 78.088 1.00 17.87 N ATOM 361 CA PHE A 42 13.962 3.182 76.988 1.00 18.89 C ATOM 362 C PHE A 42 12.561 2.569 76.927 1.00 19.17 C ATOM 363 O PHE A 42 11.577 3.271 76.601 1.00 20.05 O ATOM 364 CB PHE A 42 14.705 3.044 75.662 1.00 18.36 C ATOM 365 CG PHE A 42 15.921 3.923 75.571 1.00 18.51 C ATOM 366 CD1 PHE A 42 15.893 5.228 76.075 1.00 19.71 C ATOM 367 CD2 PHE A 42 17.090 3.456 74.980 1.00 20.80 C ATOM 368 CE1 PHE A 42 17.022 6.037 76.014 1.00 18.91 C ATOM 369 CE2 PHE A 42 18.219 4.276 74.887 1.00 20.13 C ATOM 370 CZ PHE A 42 18.178 5.570 75.408 1.00 19.46 C ATOM 0 H PHE A 42 15.471 2.223 77.847 1.00 17.87 H new ATOM 0 HA PHE A 42 13.817 4.125 77.163 1.00 18.89 H new ATOM 0 HB2 PHE A 42 14.972 2.119 75.542 1.00 18.36 H new ATOM 0 HB3 PHE A 42 14.101 3.261 74.935 1.00 18.36 H new ATOM 0 HD1 PHE A 42 15.111 5.558 76.455 1.00 19.71 H new ATOM 0 HD2 PHE A 42 17.121 2.590 74.643 1.00 20.80 H new ATOM 0 HE1 PHE A 42 17.002 6.892 76.380 1.00 18.91 H new ATOM 0 HE2 PHE A 42 18.993 3.961 74.480 1.00 20.13 H new ATOM 0 HZ PHE A 42 18.926 6.119 75.349 1.00 19.46 H new ATOM 371 N SER A 43 12.456 1.287 77.260 1.00 19.41 N ATOM 372 CA SER A 43 11.134 0.616 77.243 1.00 20.47 C ATOM 373 C SER A 43 10.334 0.881 78.518 1.00 20.64 C ATOM 374 O SER A 43 9.110 0.645 78.565 1.00 22.07 O ATOM 375 CB SER A 43 11.301 -0.892 77.026 1.00 20.31 C ATOM 376 OG SER A 43 11.964 -1.521 78.110 1.00 23.20 O ATOM 0 H SER A 43 13.115 0.787 77.495 1.00 19.41 H new ATOM 0 HA SER A 43 10.632 0.992 76.503 1.00 20.47 H new ATOM 0 HB2 SER A 43 10.428 -1.298 76.904 1.00 20.31 H new ATOM 0 HB3 SER A 43 11.802 -1.046 76.210 1.00 20.31 H new ATOM 0 HG SER A 43 12.794 -1.420 78.028 1.00 23.20 H new ATOM 377 N GLY A 44 11.023 1.342 79.560 1.00 20.34 N ATOM 378 CA GLY A 44 10.422 1.482 80.886 1.00 19.76 C ATOM 379 C GLY A 44 10.046 2.892 81.269 1.00 19.21 C ATOM 380 O GLY A 44 9.936 3.781 80.422 1.00 19.59 O ATOM 0 H GLY A 44 11.848 1.581 79.519 1.00 20.34 H new ATOM 0 HA2 GLY A 44 9.627 0.927 80.926 1.00 19.76 H new ATOM 0 HA3 GLY A 44 11.043 1.136 81.546 1.00 19.76 H new ATOM 381 N ASN A 45 9.857 3.111 82.569 1.00 19.57 N ATOM 382 CA ASN A 45 9.337 4.377 83.055 1.00 19.25 C ATOM 383 C ASN A 45 9.977 4.798 84.376 1.00 19.51 C ATOM 384 O ASN A 45 9.280 5.098 85.355 1.00 20.60 O ATOM 385 CB ASN A 45 7.805 4.293 83.217 1.00 20.06 C ATOM 386 CG ASN A 45 7.092 3.972 81.906 1.00 19.55 C ATOM 387 OD1 ASN A 45 6.872 4.853 81.078 1.00 22.76 O ATOM 388 ND2 ASN A 45 6.728 2.703 81.721 1.00 20.32 N ATOM 0 H ASN A 45 10.026 2.534 83.184 1.00 19.57 H new ATOM 0 HA ASN A 45 9.561 5.052 82.395 1.00 19.25 H new ATOM 0 HB2 ASN A 45 7.590 3.612 83.873 1.00 20.06 H new ATOM 0 HB3 ASN A 45 7.473 5.136 83.564 1.00 20.06 H new ATOM 0 HD21 ASN A 45 6.322 2.473 80.999 1.00 20.32 H new ATOM 0 HD22 ASN A 45 6.900 2.114 82.324 1.00 20.32 H new ATOM 389 N TYR A 46 11.306 4.862 84.394 1.00 17.53 N ATOM 390 CA TYR A 46 12.049 5.084 85.633 1.00 16.71 C ATOM 391 C TYR A 46 12.139 6.534 86.041 1.00 15.15 C ATOM 392 O TYR A 46 12.181 7.432 85.192 1.00 16.44 O ATOM 393 CB TYR A 46 13.473 4.496 85.516 1.00 16.28 C ATOM 394 CG TYR A 46 13.460 3.011 85.325 1.00 17.23 C ATOM 395 CD1 TYR A 46 13.294 2.149 86.408 1.00 16.51 C ATOM 396 CD2 TYR A 46 13.576 2.465 84.065 1.00 17.75 C ATOM 397 CE1 TYR A 46 13.248 0.785 86.241 1.00 17.07 C ATOM 398 CE2 TYR A 46 13.534 1.086 83.878 1.00 18.63 C ATOM 399 CZ TYR A 46 13.376 0.256 84.962 1.00 17.84 C ATOM 400 OH TYR A 46 13.328 -1.101 84.765 1.00 20.85 O ATOM 0 H TYR A 46 11.800 4.779 83.695 1.00 17.53 H new ATOM 0 HA TYR A 46 11.547 4.629 86.327 1.00 16.71 H new ATOM 0 HB2 TYR A 46 13.932 4.912 84.770 1.00 16.28 H new ATOM 0 HB3 TYR A 46 13.977 4.713 86.316 1.00 16.28 H new ATOM 0 HD1 TYR A 46 13.212 2.505 87.263 1.00 16.51 H new ATOM 0 HD2 TYR A 46 13.684 3.025 83.330 1.00 17.75 H new ATOM 0 HE1 TYR A 46 13.133 0.224 86.974 1.00 17.07 H new ATOM 0 HE2 TYR A 46 13.613 0.728 83.023 1.00 18.63 H new ATOM 0 HH TYR A 46 12.964 -1.468 85.427 1.00 20.85 H new ATOM 401 N ASP A 47 12.172 6.772 87.355 1.00 13.47 N ATOM 402 CA ASP A 47 12.377 8.130 87.883 1.00 13.39 C ATOM 403 C ASP A 47 13.847 8.543 87.887 1.00 12.97 C ATOM 404 O ASP A 47 14.175 9.739 87.813 1.00 13.36 O ATOM 405 CB ASP A 47 11.812 8.233 89.288 1.00 14.22 C ATOM 406 CG ASP A 47 10.319 8.047 89.288 1.00 15.18 C ATOM 407 OD1 ASP A 47 9.654 8.958 88.760 1.00 18.04 O ATOM 408 OD2 ASP A 47 9.845 6.989 89.748 1.00 14.45 O ATOM 0 H ASP A 47 12.078 6.165 87.957 1.00 13.47 H new ATOM 0 HA ASP A 47 11.908 8.738 87.291 1.00 13.39 H new ATOM 0 HB2 ASP A 47 12.224 7.563 89.855 1.00 14.22 H new ATOM 0 HB3 ASP A 47 12.033 9.099 89.666 1.00 14.22 H new ATOM 409 N LEU A 48 14.717 7.541 87.971 1.00 13.21 N ATOM 410 CA LEU A 48 16.143 7.787 88.134 1.00 13.09 C ATOM 411 C LEU A 48 16.887 6.564 87.686 1.00 13.16 C ATOM 412 O LEU A 48 16.402 5.463 87.856 1.00 12.90 O ATOM 413 CB LEU A 48 16.455 8.076 89.612 1.00 12.73 C ATOM 414 CG LEU A 48 17.927 8.015 90.073 1.00 13.86 C ATOM 415 CD1 LEU A 48 18.683 9.219 89.554 1.00 12.99 C ATOM 416 CD2 LEU A 48 17.983 7.946 91.587 1.00 14.47 C ATOM 0 H LEU A 48 14.500 6.710 87.936 1.00 13.21 H new ATOM 0 HA LEU A 48 16.413 8.553 87.604 1.00 13.09 H new ATOM 0 HB2 LEU A 48 16.116 8.961 89.819 1.00 12.73 H new ATOM 0 HB3 LEU A 48 15.950 7.446 90.150 1.00 12.73 H new ATOM 0 HG LEU A 48 18.348 7.219 89.713 1.00 13.86 H new ATOM 0 HD11 LEU A 48 19.606 9.173 89.848 1.00 12.99 H new ATOM 0 HD12 LEU A 48 18.653 9.227 88.585 1.00 12.99 H new ATOM 0 HD13 LEU A 48 18.275 10.030 89.896 1.00 12.99 H new ATOM 0 HD21 LEU A 48 18.908 7.908 91.875 1.00 14.47 H new ATOM 0 HD22 LEU A 48 17.560 8.734 91.963 1.00 14.47 H new ATOM 0 HD23 LEU A 48 17.517 7.152 91.892 1.00 14.47 H new ATOM 417 N VAL A 49 18.056 6.776 87.084 1.00 12.78 N ATOM 418 CA VAL A 49 18.958 5.689 86.765 1.00 13.01 C ATOM 419 C VAL A 49 20.291 5.938 87.480 1.00 12.72 C ATOM 420 O VAL A 49 20.803 7.057 87.483 1.00 12.20 O ATOM 421 CB VAL A 49 19.145 5.509 85.248 1.00 13.51 C ATOM 422 CG1 VAL A 49 19.633 6.795 84.591 1.00 14.98 C ATOM 423 CG2 VAL A 49 20.069 4.314 84.944 1.00 14.40 C ATOM 0 H VAL A 49 18.342 7.553 86.852 1.00 12.78 H new ATOM 0 HA VAL A 49 18.573 4.856 87.078 1.00 13.01 H new ATOM 0 HB VAL A 49 18.279 5.308 84.860 1.00 13.51 H new ATOM 0 HG11 VAL A 49 19.741 6.651 83.638 1.00 14.98 H new ATOM 0 HG12 VAL A 49 18.984 7.501 84.739 1.00 14.98 H new ATOM 0 HG13 VAL A 49 20.485 7.053 84.977 1.00 14.98 H new ATOM 0 HG21 VAL A 49 20.172 4.220 83.984 1.00 14.40 H new ATOM 0 HG22 VAL A 49 20.938 4.465 85.349 1.00 14.40 H new ATOM 0 HG23 VAL A 49 19.680 3.503 85.308 1.00 14.40 H new ATOM 424 N ILE A 50 20.786 4.897 88.137 1.00 12.39 N ATOM 425 CA ILE A 50 22.075 4.945 88.833 1.00 12.52 C ATOM 426 C ILE A 50 23.005 4.032 88.040 1.00 12.88 C ATOM 427 O ILE A 50 22.688 2.858 87.817 1.00 12.46 O ATOM 428 CB ILE A 50 21.954 4.475 90.296 1.00 12.06 C ATOM 429 CG1 ILE A 50 21.047 5.421 91.112 1.00 13.14 C ATOM 430 CG2 ILE A 50 23.352 4.402 90.956 1.00 13.91 C ATOM 431 CD1 ILE A 50 20.740 4.913 92.539 1.00 13.12 C ATOM 0 H ILE A 50 20.386 4.138 88.195 1.00 12.39 H new ATOM 0 HA ILE A 50 22.413 5.853 88.877 1.00 12.52 H new ATOM 0 HB ILE A 50 21.554 3.591 90.290 1.00 12.06 H new ATOM 0 HG12 ILE A 50 21.472 6.291 91.172 1.00 13.14 H new ATOM 0 HG13 ILE A 50 20.211 5.545 90.635 1.00 13.14 H new ATOM 0 HG21 ILE A 50 23.261 4.105 91.875 1.00 13.91 H new ATOM 0 HG22 ILE A 50 23.908 3.775 90.468 1.00 13.91 H new ATOM 0 HG23 ILE A 50 23.764 5.280 90.939 1.00 13.91 H new ATOM 0 HD11 ILE A 50 20.169 5.551 92.994 1.00 13.12 H new ATOM 0 HD12 ILE A 50 20.289 4.056 92.487 1.00 13.12 H new ATOM 0 HD13 ILE A 50 21.569 4.813 93.032 1.00 13.12 H new ATOM 432 N LEU A 51 24.149 4.570 87.613 1.00 11.42 N ATOM 433 CA LEU A 51 24.940 3.913 86.597 1.00 10.51 C ATOM 434 C LEU A 51 26.390 3.756 87.013 1.00 9.77 C ATOM 435 O LEU A 51 27.088 4.740 87.206 1.00 9.64 O ATOM 436 CB LEU A 51 24.947 4.727 85.278 1.00 11.69 C ATOM 437 CG LEU A 51 23.722 4.871 84.379 1.00 12.72 C ATOM 438 CD1 LEU A 51 24.158 5.831 83.289 1.00 13.10 C ATOM 439 CD2 LEU A 51 23.265 3.541 83.820 1.00 15.96 C ATOM 0 H LEU A 51 24.476 5.311 87.902 1.00 11.42 H new ATOM 0 HA LEU A 51 24.530 3.043 86.472 1.00 10.51 H new ATOM 0 HB2 LEU A 51 25.223 5.627 85.512 1.00 11.69 H new ATOM 0 HB3 LEU A 51 25.650 4.349 84.726 1.00 11.69 H new ATOM 0 HG LEU A 51 22.952 5.203 84.867 1.00 12.72 H new ATOM 0 HD11 LEU A 51 23.424 5.974 82.671 1.00 13.10 H new ATOM 0 HD12 LEU A 51 24.415 6.678 83.687 1.00 13.10 H new ATOM 0 HD13 LEU A 51 24.914 5.456 82.811 1.00 13.10 H new ATOM 0 HD21 LEU A 51 22.487 3.677 83.256 1.00 15.96 H new ATOM 0 HD22 LEU A 51 23.980 3.148 83.295 1.00 15.96 H new ATOM 0 HD23 LEU A 51 23.035 2.945 84.550 1.00 15.96 H new ATOM 440 N ASP A 52 26.823 2.505 87.102 1.00 8.65 N ATOM 441 CA ASP A 52 28.249 2.162 87.197 1.00 10.03 C ATOM 442 C ASP A 52 28.946 2.550 85.901 1.00 10.55 C ATOM 443 O ASP A 52 28.301 2.620 84.844 1.00 10.71 O ATOM 444 CB ASP A 52 28.343 0.646 87.363 1.00 9.13 C ATOM 445 CG ASP A 52 29.735 0.172 87.678 1.00 11.03 C ATOM 446 OD1 ASP A 52 30.509 0.934 88.298 1.00 9.64 O ATOM 447 OD2 ASP A 52 30.018 -0.979 87.306 1.00 11.17 O ATOM 0 H ASP A 52 26.300 1.823 87.110 1.00 8.65 H new ATOM 0 HA ASP A 52 28.664 2.626 87.941 1.00 10.03 H new ATOM 0 HB2 ASP A 52 27.744 0.366 88.072 1.00 9.13 H new ATOM 0 HB3 ASP A 52 28.038 0.217 86.548 1.00 9.13 H new ATOM 448 N ILE A 53 30.254 2.800 85.956 1.00 10.11 N ATOM 449 CA ILE A 53 30.984 3.195 84.737 1.00 11.06 C ATOM 450 C ILE A 53 31.673 1.982 84.144 1.00 11.70 C ATOM 451 O ILE A 53 31.417 1.615 82.993 1.00 13.31 O ATOM 452 CB ILE A 53 31.993 4.369 84.961 1.00 10.56 C ATOM 453 CG1 ILE A 53 31.237 5.682 85.213 1.00 11.01 C ATOM 454 CG2 ILE A 53 32.962 4.484 83.738 1.00 9.39 C ATOM 455 CD1 ILE A 53 32.101 6.882 85.682 1.00 11.13 C ATOM 0 H ILE A 53 30.733 2.750 86.669 1.00 10.11 H new ATOM 0 HA ILE A 53 30.329 3.539 84.110 1.00 11.06 H new ATOM 0 HB ILE A 53 32.529 4.185 85.748 1.00 10.56 H new ATOM 0 HG12 ILE A 53 30.781 5.934 84.395 1.00 11.01 H new ATOM 0 HG13 ILE A 53 30.553 5.518 85.881 1.00 11.01 H new ATOM 0 HG21 ILE A 53 33.584 5.214 83.885 1.00 9.39 H new ATOM 0 HG22 ILE A 53 33.455 3.655 83.637 1.00 9.39 H new ATOM 0 HG23 ILE A 53 32.448 4.655 82.933 1.00 9.39 H new ATOM 0 HD11 ILE A 53 31.534 7.658 85.812 1.00 11.13 H new ATOM 0 HD12 ILE A 53 32.539 6.658 86.518 1.00 11.13 H new ATOM 0 HD13 ILE A 53 32.771 7.081 85.009 1.00 11.13 H new ATOM 456 N GLU A 54 32.525 1.314 84.934 1.00 11.86 N ATOM 457 CA GLU A 54 33.282 0.176 84.406 1.00 12.96 C ATOM 458 C GLU A 54 32.494 -1.129 84.359 1.00 13.55 C ATOM 459 O GLU A 54 32.151 -1.714 85.399 1.00 12.40 O ATOM 460 CB GLU A 54 34.587 0.019 85.196 1.00 12.45 C ATOM 461 CG GLU A 54 35.431 1.283 85.206 1.00 15.02 C ATOM 462 CD GLU A 54 36.863 1.012 85.662 1.00 16.39 C ATOM 463 OE1 GLU A 54 37.094 -0.067 86.262 1.00 18.38 O ATOM 464 OE2 GLU A 54 37.719 1.879 85.421 1.00 17.77 O ATOM 0 H GLU A 54 32.675 1.500 85.760 1.00 11.86 H new ATOM 0 HA GLU A 54 33.482 0.375 83.478 1.00 12.96 H new ATOM 0 HB2 GLU A 54 34.378 -0.232 86.109 1.00 12.45 H new ATOM 0 HB3 GLU A 54 35.105 -0.707 84.814 1.00 12.45 H new ATOM 0 HG2 GLU A 54 35.444 1.669 84.316 1.00 15.02 H new ATOM 0 HG3 GLU A 54 35.024 1.938 85.794 1.00 15.02 H new HETATM 465 N MSE A 55 32.191 -1.580 83.130 1.00 14.24 N HETATM 466 CA MSE A 55 31.412 -2.800 82.913 1.00 16.06 C HETATM 467 C MSE A 55 31.914 -3.479 81.644 1.00 17.58 C HETATM 468 O MSE A 55 32.412 -2.802 80.779 1.00 18.26 O HETATM 469 CB MSE A 55 29.929 -2.460 82.734 1.00 14.99 C HETATM 470 CG MSE A 55 29.318 -1.811 83.963 1.00 15.31 C HETATM 471 SE MSE A 55 27.406 -1.558 83.789 1.00 17.90 SE HETATM 472 CE MSE A 55 27.447 0.018 82.637 1.00 13.37 C HETATM 0 H MSE A 55 32.433 -1.185 82.405 1.00 14.24 H new HETATM 0 HA MSE A 55 31.514 -3.384 83.680 1.00 16.06 H new HETATM 0 HB2 MSE A 55 29.828 -1.864 81.975 1.00 14.99 H new HETATM 0 HB3 MSE A 55 29.439 -3.271 82.525 1.00 14.99 H new HETATM 0 HG2 MSE A 55 29.500 -2.362 84.741 1.00 15.31 H new HETATM 0 HG3 MSE A 55 29.743 -0.953 84.118 1.00 15.31 H new HETATM 0 HE1 MSE A 55 26.540 0.297 82.438 1.00 13.37 H new HETATM 0 HE2 MSE A 55 27.915 0.738 83.089 1.00 13.37 H new HETATM 0 HE3 MSE A 55 27.907 -0.197 81.811 1.00 13.37 H new ATOM 473 N PRO A 56 31.768 -4.812 81.532 1.00 19.41 N ATOM 474 CA PRO A 56 32.079 -5.427 80.237 1.00 20.17 C ATOM 475 C PRO A 56 31.088 -4.923 79.188 1.00 19.72 C ATOM 476 O PRO A 56 29.881 -4.843 79.454 1.00 21.16 O ATOM 477 CB PRO A 56 31.864 -6.921 80.493 1.00 20.51 C ATOM 478 CG PRO A 56 31.851 -7.086 81.965 1.00 21.12 C ATOM 479 CD PRO A 56 31.299 -5.815 82.508 1.00 20.55 C ATOM 0 HA PRO A 56 32.971 -5.225 79.913 1.00 20.17 H new ATOM 0 HB2 PRO A 56 31.029 -7.223 80.102 1.00 20.51 H new ATOM 0 HB3 PRO A 56 32.573 -7.448 80.091 1.00 20.51 H new ATOM 0 HG2 PRO A 56 31.304 -7.843 82.226 1.00 21.12 H new ATOM 0 HG3 PRO A 56 32.744 -7.251 82.305 1.00 21.12 H new ATOM 0 HD2 PRO A 56 30.331 -5.838 82.564 1.00 20.55 H new ATOM 0 HD3 PRO A 56 31.630 -5.631 83.401 1.00 20.55 H new ATOM 480 N GLY A 57 31.592 -4.570 78.017 1.00 19.62 N ATOM 481 CA GLY A 57 30.732 -3.989 76.979 1.00 18.70 C ATOM 482 C GLY A 57 30.800 -2.481 77.096 1.00 18.11 C ATOM 483 O GLY A 57 31.784 -1.945 77.632 1.00 18.97 O ATOM 0 H GLY A 57 32.419 -4.654 77.797 1.00 19.62 H new ATOM 0 HA2 GLY A 57 31.025 -4.273 76.099 1.00 18.70 H new ATOM 0 HA3 GLY A 57 29.818 -4.296 77.087 1.00 18.70 H new ATOM 484 N ILE A 58 29.777 -1.783 76.612 1.00 17.42 N ATOM 485 CA ILE A 58 29.763 -0.318 76.667 1.00 15.85 C ATOM 486 C ILE A 58 29.870 0.194 78.108 1.00 15.96 C ATOM 487 O ILE A 58 29.294 -0.381 79.036 1.00 15.08 O ATOM 488 CB ILE A 58 28.534 0.305 75.952 1.00 16.27 C ATOM 489 CG1 ILE A 58 27.195 -0.094 76.591 1.00 15.15 C ATOM 490 CG2 ILE A 58 28.527 -0.086 74.493 1.00 15.76 C ATOM 491 CD1 ILE A 58 26.013 0.709 76.048 1.00 16.31 C ATOM 0 H ILE A 58 29.082 -2.134 76.248 1.00 17.42 H new ATOM 0 HA ILE A 58 30.549 -0.027 76.179 1.00 15.85 H new ATOM 0 HB ILE A 58 28.622 1.266 76.045 1.00 16.27 H new ATOM 0 HG12 ILE A 58 27.037 -1.038 76.436 1.00 15.15 H new ATOM 0 HG13 ILE A 58 27.251 0.030 77.551 1.00 15.15 H new ATOM 0 HG21 ILE A 58 27.756 0.308 74.056 1.00 15.76 H new ATOM 0 HG22 ILE A 58 29.338 0.235 74.068 1.00 15.76 H new ATOM 0 HG23 ILE A 58 28.483 -1.052 74.417 1.00 15.76 H new ATOM 0 HD11 ILE A 58 25.197 0.418 76.483 1.00 16.31 H new ATOM 0 HD12 ILE A 58 26.154 1.652 76.224 1.00 16.31 H new ATOM 0 HD13 ILE A 58 25.937 0.567 75.091 1.00 16.31 H new ATOM 492 N SER A 59 30.612 1.267 78.290 1.00 14.91 N ATOM 493 CA SER A 59 30.764 1.809 79.628 1.00 14.71 C ATOM 494 C SER A 59 29.536 2.594 80.075 1.00 13.80 C ATOM 495 O SER A 59 28.698 3.011 79.266 1.00 11.69 O ATOM 496 CB SER A 59 32.024 2.670 79.726 1.00 16.56 C ATOM 497 OG SER A 59 31.770 4.005 79.383 1.00 16.61 O ATOM 0 H SER A 59 31.029 1.691 77.669 1.00 14.91 H new ATOM 0 HA SER A 59 30.856 1.055 80.232 1.00 14.71 H new ATOM 0 HB2 SER A 59 32.374 2.629 80.630 1.00 16.56 H new ATOM 0 HB3 SER A 59 32.708 2.310 79.140 1.00 16.56 H new ATOM 0 HG SER A 59 32.479 4.451 79.448 1.00 16.61 H new ATOM 498 N GLY A 60 29.445 2.822 81.381 1.00 12.25 N ATOM 499 CA GLY A 60 28.400 3.649 81.939 1.00 12.16 C ATOM 500 C GLY A 60 28.384 5.076 81.423 1.00 11.77 C ATOM 501 O GLY A 60 27.344 5.725 81.433 1.00 11.88 O ATOM 0 H GLY A 60 29.990 2.499 81.963 1.00 12.25 H new ATOM 0 HA2 GLY A 60 27.542 3.239 81.749 1.00 12.16 H new ATOM 0 HA3 GLY A 60 28.498 3.667 82.904 1.00 12.16 H new ATOM 502 N LEU A 61 29.557 5.584 81.016 1.00 12.58 N ATOM 503 CA LEU A 61 29.633 6.919 80.438 1.00 12.23 C ATOM 504 C LEU A 61 28.943 6.928 79.077 1.00 12.53 C ATOM 505 O LEU A 61 28.256 7.906 78.746 1.00 13.08 O ATOM 506 CB LEU A 61 31.086 7.413 80.314 1.00 13.17 C ATOM 507 CG LEU A 61 31.733 7.705 81.678 1.00 12.55 C ATOM 508 CD1 LEU A 61 33.259 7.890 81.510 1.00 13.99 C ATOM 509 CD2 LEU A 61 31.125 8.885 82.399 1.00 13.71 C ATOM 0 H LEU A 61 30.309 5.170 81.068 1.00 12.58 H new ATOM 0 HA LEU A 61 29.177 7.531 81.036 1.00 12.23 H new ATOM 0 HB2 LEU A 61 31.612 6.745 79.847 1.00 13.17 H new ATOM 0 HB3 LEU A 61 31.105 8.218 79.773 1.00 13.17 H new ATOM 0 HG LEU A 61 31.556 6.934 82.240 1.00 12.55 H new ATOM 0 HD11 LEU A 61 33.660 8.074 82.374 1.00 13.99 H new ATOM 0 HD12 LEU A 61 33.645 7.080 81.141 1.00 13.99 H new ATOM 0 HD13 LEU A 61 33.431 8.632 80.910 1.00 13.99 H new ATOM 0 HD21 LEU A 61 31.577 9.014 83.248 1.00 13.71 H new ATOM 0 HD22 LEU A 61 31.225 9.683 81.856 1.00 13.71 H new ATOM 0 HD23 LEU A 61 30.183 8.718 82.557 1.00 13.71 H new ATOM 510 N GLU A 62 29.134 5.863 78.306 1.00 12.42 N ATOM 511 CA GLU A 62 28.425 5.732 77.016 1.00 13.12 C ATOM 512 C GLU A 62 26.920 5.647 77.250 1.00 13.01 C ATOM 513 O GLU A 62 26.142 6.356 76.590 1.00 13.62 O ATOM 514 CB GLU A 62 28.940 4.533 76.229 1.00 13.72 C ATOM 515 CG GLU A 62 28.287 4.428 74.852 1.00 14.17 C ATOM 516 CD GLU A 62 28.988 3.473 73.903 1.00 16.57 C ATOM 517 OE1 GLU A 62 30.129 2.993 74.194 1.00 18.72 O ATOM 518 OE2 GLU A 62 28.380 3.216 72.839 1.00 18.26 O ATOM 0 H GLU A 62 29.659 5.210 78.499 1.00 12.42 H new ATOM 0 HA GLU A 62 28.602 6.522 76.482 1.00 13.12 H new ATOM 0 HB2 GLU A 62 29.902 4.604 76.125 1.00 13.72 H new ATOM 0 HB3 GLU A 62 28.768 3.720 76.730 1.00 13.72 H new ATOM 0 HG2 GLU A 62 27.367 4.141 74.962 1.00 14.17 H new ATOM 0 HG3 GLU A 62 28.263 5.310 74.448 1.00 14.17 H new ATOM 519 N VAL A 63 26.518 4.816 78.220 1.00 12.24 N ATOM 520 CA VAL A 63 25.103 4.667 78.573 1.00 11.55 C ATOM 521 C VAL A 63 24.502 6.019 78.977 1.00 11.95 C ATOM 522 O VAL A 63 23.412 6.398 78.501 1.00 11.11 O ATOM 523 CB VAL A 63 24.923 3.620 79.716 1.00 10.58 C ATOM 524 CG1 VAL A 63 23.439 3.518 80.141 1.00 12.79 C ATOM 525 CG2 VAL A 63 25.446 2.252 79.296 1.00 12.01 C ATOM 0 H VAL A 63 27.052 4.329 78.686 1.00 12.24 H new ATOM 0 HA VAL A 63 24.629 4.344 77.791 1.00 11.55 H new ATOM 0 HB VAL A 63 25.442 3.924 80.477 1.00 10.58 H new ATOM 0 HG11 VAL A 63 23.350 2.863 80.851 1.00 12.79 H new ATOM 0 HG12 VAL A 63 23.133 4.382 80.458 1.00 12.79 H new ATOM 0 HG13 VAL A 63 22.902 3.245 79.380 1.00 12.79 H new ATOM 0 HG21 VAL A 63 25.323 1.621 80.022 1.00 12.01 H new ATOM 0 HG22 VAL A 63 24.959 1.945 78.515 1.00 12.01 H new ATOM 0 HG23 VAL A 63 26.390 2.318 79.082 1.00 12.01 H new ATOM 526 N ALA A 64 25.200 6.763 79.839 1.00 11.94 N ATOM 527 CA ALA A 64 24.693 8.066 80.295 1.00 11.88 C ATOM 528 C ALA A 64 24.461 9.015 79.123 1.00 12.33 C ATOM 529 O ALA A 64 23.490 9.756 79.120 1.00 13.11 O ATOM 530 CB ALA A 64 25.633 8.677 81.339 1.00 12.05 C ATOM 0 H ALA A 64 25.961 6.537 80.170 1.00 11.94 H new ATOM 0 HA ALA A 64 23.832 7.922 80.718 1.00 11.88 H new ATOM 0 HB1 ALA A 64 25.283 9.534 81.627 1.00 12.05 H new ATOM 0 HB2 ALA A 64 25.700 8.082 82.102 1.00 12.05 H new ATOM 0 HB3 ALA A 64 26.512 8.802 80.949 1.00 12.05 H new ATOM 531 N GLY A 65 25.348 8.964 78.123 1.00 12.17 N ATOM 532 CA GLY A 65 25.248 9.851 76.965 1.00 12.10 C ATOM 533 C GLY A 65 24.006 9.553 76.158 1.00 12.71 C ATOM 534 O GLY A 65 23.310 10.462 75.709 1.00 13.58 O ATOM 0 H GLY A 65 26.015 8.421 78.099 1.00 12.17 H new ATOM 0 HA2 GLY A 65 25.231 10.774 77.262 1.00 12.10 H new ATOM 0 HA3 GLY A 65 26.034 9.747 76.406 1.00 12.10 H new ATOM 535 N GLU A 66 23.776 8.266 75.943 1.00 12.90 N ATOM 536 CA GLU A 66 22.595 7.785 75.203 1.00 13.36 C ATOM 537 C GLU A 66 21.292 8.129 75.914 1.00 13.80 C ATOM 538 O GLU A 66 20.332 8.615 75.278 1.00 12.75 O ATOM 539 CB GLU A 66 22.689 6.293 74.951 1.00 14.21 C ATOM 540 CG GLU A 66 23.829 5.927 73.991 1.00 17.41 C ATOM 541 CD GLU A 66 23.809 6.775 72.711 1.00 24.31 C ATOM 542 OE1 GLU A 66 22.790 6.716 71.999 1.00 25.02 O ATOM 543 OE2 GLU A 66 24.797 7.498 72.427 1.00 26.09 O ATOM 0 H GLU A 66 24.295 7.638 76.219 1.00 12.90 H new ATOM 0 HA GLU A 66 22.587 8.245 74.349 1.00 13.36 H new ATOM 0 HB2 GLU A 66 22.821 5.834 75.795 1.00 14.21 H new ATOM 0 HB3 GLU A 66 21.848 5.977 74.585 1.00 14.21 H new ATOM 0 HG2 GLU A 66 24.679 6.046 74.442 1.00 17.41 H new ATOM 0 HG3 GLU A 66 23.762 4.988 73.756 1.00 17.41 H new ATOM 544 N ILE A 67 21.241 7.902 77.222 1.00 12.07 N ATOM 545 CA ILE A 67 20.019 8.260 77.959 1.00 12.85 C ATOM 546 C ILE A 67 19.765 9.763 77.881 1.00 13.63 C ATOM 547 O ILE A 67 18.623 10.209 77.651 1.00 14.34 O ATOM 548 CB ILE A 67 20.078 7.755 79.409 1.00 11.79 C ATOM 549 CG1 ILE A 67 20.039 6.227 79.414 1.00 12.48 C ATOM 550 CG2 ILE A 67 18.922 8.351 80.263 1.00 12.18 C ATOM 551 CD1 ILE A 67 20.130 5.580 80.811 1.00 12.89 C ATOM 0 H ILE A 67 21.872 7.556 77.692 1.00 12.07 H new ATOM 0 HA ILE A 67 19.265 7.817 77.539 1.00 12.85 H new ATOM 0 HB ILE A 67 20.909 8.052 79.812 1.00 11.79 H new ATOM 0 HG12 ILE A 67 19.216 5.936 78.990 1.00 12.48 H new ATOM 0 HG13 ILE A 67 20.771 5.896 78.870 1.00 12.48 H new ATOM 0 HG21 ILE A 67 18.984 8.016 81.171 1.00 12.18 H new ATOM 0 HG22 ILE A 67 18.991 9.319 80.271 1.00 12.18 H new ATOM 0 HG23 ILE A 67 18.069 8.091 79.880 1.00 12.18 H new ATOM 0 HD11 ILE A 67 20.098 4.614 80.723 1.00 12.89 H new ATOM 0 HD12 ILE A 67 20.964 5.839 81.234 1.00 12.89 H new ATOM 0 HD13 ILE A 67 19.385 5.879 81.356 1.00 12.89 H new ATOM 552 N ARG A 68 20.815 10.556 78.074 1.00 13.35 N ATOM 553 CA ARG A 68 20.653 11.999 78.087 1.00 13.51 C ATOM 554 C ARG A 68 20.109 12.431 76.723 1.00 15.22 C ATOM 555 O ARG A 68 19.186 13.248 76.649 1.00 15.58 O ATOM 556 CB ARG A 68 21.951 12.730 78.415 1.00 13.54 C ATOM 557 CG ARG A 68 21.826 14.258 78.360 1.00 14.64 C ATOM 558 CD ARG A 68 20.846 14.807 79.383 1.00 14.68 C ATOM 559 NE ARG A 68 21.244 14.442 80.761 1.00 15.33 N ATOM 560 CZ ARG A 68 20.391 14.239 81.763 1.00 16.97 C ATOM 561 NH1 ARG A 68 19.083 14.342 81.564 1.00 16.43 N ATOM 562 NH2 ARG A 68 20.847 13.895 82.967 1.00 14.19 N ATOM 0 H ARG A 68 21.620 10.279 78.198 1.00 13.35 H new ATOM 0 HA ARG A 68 20.029 12.238 78.791 1.00 13.51 H new ATOM 0 HB2 ARG A 68 22.245 12.469 79.302 1.00 13.54 H new ATOM 0 HB3 ARG A 68 22.639 12.447 77.793 1.00 13.54 H new ATOM 0 HG2 ARG A 68 22.698 14.655 78.509 1.00 14.64 H new ATOM 0 HG3 ARG A 68 21.542 14.523 77.471 1.00 14.64 H new ATOM 0 HD2 ARG A 68 20.799 15.773 79.303 1.00 14.68 H new ATOM 0 HD3 ARG A 68 19.958 14.464 79.199 1.00 14.68 H new ATOM 0 HE ARG A 68 22.084 14.355 80.926 1.00 15.33 H new ATOM 0 HH11 ARG A 68 18.781 14.541 80.784 1.00 16.43 H new ATOM 0 HH12 ARG A 68 18.537 14.210 82.215 1.00 16.43 H new ATOM 0 HH21 ARG A 68 21.692 13.804 83.097 1.00 14.19 H new ATOM 0 HH22 ARG A 68 20.296 13.764 83.614 1.00 14.19 H new ATOM 563 N LYS A 69 20.661 11.844 75.669 1.00 15.05 N ATOM 564 CA LYS A 69 20.245 12.204 74.294 1.00 15.97 C ATOM 565 C LYS A 69 18.791 11.869 73.976 1.00 16.43 C ATOM 566 O LYS A 69 18.107 12.666 73.319 1.00 15.70 O ATOM 567 CB LYS A 69 21.179 11.594 73.256 1.00 16.50 C ATOM 568 CG LYS A 69 22.530 12.302 73.185 1.00 17.70 C ATOM 569 CD LYS A 69 23.503 11.481 72.362 1.00 19.49 C ATOM 570 CE LYS A 69 24.854 12.159 72.226 1.00 24.09 C ATOM 571 NZ LYS A 69 25.806 11.260 71.504 1.00 23.65 N ATOM 0 H LYS A 69 21.272 11.240 75.714 1.00 15.05 H new ATOM 0 HA LYS A 69 20.311 13.171 74.251 1.00 15.97 H new ATOM 0 HB2 LYS A 69 21.320 10.657 73.465 1.00 16.50 H new ATOM 0 HB3 LYS A 69 20.754 11.629 72.385 1.00 16.50 H new ATOM 0 HG2 LYS A 69 22.422 13.181 72.790 1.00 17.70 H new ATOM 0 HG3 LYS A 69 22.882 12.434 74.079 1.00 17.70 H new ATOM 0 HD2 LYS A 69 23.620 10.611 72.775 1.00 19.49 H new ATOM 0 HD3 LYS A 69 23.129 11.328 71.480 1.00 19.49 H new ATOM 0 HE2 LYS A 69 24.758 12.995 71.744 1.00 24.09 H new ATOM 0 HE3 LYS A 69 25.205 12.377 73.104 1.00 24.09 H new ATOM 0 HZ1 LYS A 69 26.596 11.663 71.428 1.00 23.65 H new ATOM 0 HZ2 LYS A 69 25.903 10.502 71.961 1.00 23.65 H new ATOM 0 HZ3 LYS A 69 25.487 11.079 70.693 1.00 23.65 H new ATOM 572 N LYS A 70 18.321 10.727 74.466 1.00 16.58 N ATOM 573 CA LYS A 70 16.976 10.232 74.117 1.00 17.35 C ATOM 574 C LYS A 70 15.946 10.471 75.208 1.00 16.91 C ATOM 575 O LYS A 70 14.747 10.165 75.025 1.00 17.00 O ATOM 576 CB LYS A 70 17.009 8.744 73.733 1.00 18.07 C ATOM 577 CG LYS A 70 17.443 8.461 72.298 1.00 21.78 C ATOM 578 CD LYS A 70 18.938 8.320 72.184 1.00 26.96 C ATOM 579 CE LYS A 70 19.339 8.202 70.736 1.00 31.11 C ATOM 580 NZ LYS A 70 20.822 8.133 70.532 1.00 34.20 N ATOM 0 H LYS A 70 18.759 10.218 75.003 1.00 16.58 H new ATOM 0 HA LYS A 70 16.697 10.751 73.347 1.00 17.35 H new ATOM 0 HB2 LYS A 70 17.611 8.281 74.336 1.00 18.07 H new ATOM 0 HB3 LYS A 70 16.125 8.368 73.870 1.00 18.07 H new ATOM 0 HG2 LYS A 70 17.017 7.648 71.985 1.00 21.78 H new ATOM 0 HG3 LYS A 70 17.141 9.180 71.721 1.00 21.78 H new ATOM 0 HD2 LYS A 70 19.374 9.088 72.586 1.00 26.96 H new ATOM 0 HD3 LYS A 70 19.234 7.537 72.674 1.00 26.96 H new ATOM 0 HE2 LYS A 70 18.930 7.408 70.358 1.00 31.11 H new ATOM 0 HE3 LYS A 70 18.987 8.962 70.247 1.00 31.11 H new ATOM 0 HZ1 LYS A 70 20.996 7.809 69.722 1.00 34.20 H new ATOM 0 HZ2 LYS A 70 21.170 8.949 70.606 1.00 34.20 H new ATOM 0 HZ3 LYS A 70 21.182 7.600 71.148 1.00 34.20 H new ATOM 581 N LYS A 71 16.385 10.996 76.351 1.00 16.13 N ATOM 582 CA LYS A 71 15.452 11.357 77.405 1.00 16.80 C ATOM 583 C LYS A 71 15.969 12.617 78.087 1.00 16.76 C ATOM 584 O LYS A 71 16.690 12.534 79.075 1.00 16.56 O ATOM 585 CB LYS A 71 15.290 10.215 78.412 1.00 17.02 C ATOM 586 CG LYS A 71 14.079 10.363 79.335 1.00 19.16 C ATOM 587 CD LYS A 71 12.803 9.875 78.621 1.00 24.63 C ATOM 588 CE LYS A 71 11.579 9.888 79.534 1.00 27.49 C ATOM 589 NZ LYS A 71 11.221 11.243 80.046 1.00 31.70 N ATOM 0 H LYS A 71 17.212 11.148 76.531 1.00 16.13 H new ATOM 0 HA LYS A 71 14.576 11.524 77.025 1.00 16.80 H new ATOM 0 HB2 LYS A 71 15.215 9.378 77.928 1.00 17.02 H new ATOM 0 HB3 LYS A 71 16.093 10.158 78.954 1.00 17.02 H new ATOM 0 HG2 LYS A 71 14.219 9.852 80.147 1.00 19.16 H new ATOM 0 HG3 LYS A 71 13.976 11.291 79.598 1.00 19.16 H new ATOM 0 HD2 LYS A 71 12.633 10.438 77.849 1.00 24.63 H new ATOM 0 HD3 LYS A 71 12.946 8.975 78.290 1.00 24.63 H new ATOM 0 HE2 LYS A 71 10.821 9.524 79.050 1.00 27.49 H new ATOM 0 HE3 LYS A 71 11.743 9.300 80.288 1.00 27.49 H new ATOM 0 HZ1 LYS A 71 10.503 11.183 80.569 1.00 31.70 H new ATOM 0 HZ2 LYS A 71 11.902 11.573 80.514 1.00 31.70 H new ATOM 0 HZ3 LYS A 71 11.044 11.782 79.361 1.00 31.70 H new ATOM 590 N LYS A 72 15.630 13.774 77.518 1.00 16.87 N ATOM 591 CA LYS A 72 16.252 15.049 77.887 1.00 19.30 C ATOM 592 C LYS A 72 16.214 15.346 79.389 1.00 18.44 C ATOM 593 O LYS A 72 17.225 15.799 79.952 1.00 19.11 O ATOM 594 CB LYS A 72 15.633 16.204 77.072 1.00 18.88 C ATOM 595 CG LYS A 72 16.108 17.613 77.455 1.00 22.25 C ATOM 596 CD LYS A 72 15.519 18.713 76.540 1.00 23.69 C ATOM 597 CE LYS A 72 14.022 18.963 76.774 1.00 28.64 C ATOM 598 NZ LYS A 72 13.658 19.305 78.195 1.00 30.61 N ATOM 0 H LYS A 72 15.031 13.843 76.905 1.00 16.87 H new ATOM 0 HA LYS A 72 17.193 14.969 77.665 1.00 19.30 H new ATOM 0 HB2 LYS A 72 15.829 16.058 76.133 1.00 18.88 H new ATOM 0 HB3 LYS A 72 14.669 16.167 77.170 1.00 18.88 H new ATOM 0 HG2 LYS A 72 15.859 17.795 78.375 1.00 22.25 H new ATOM 0 HG3 LYS A 72 17.076 17.646 77.412 1.00 22.25 H new ATOM 0 HD2 LYS A 72 16.005 19.540 76.685 1.00 23.69 H new ATOM 0 HD3 LYS A 72 15.657 18.462 75.613 1.00 23.69 H new ATOM 0 HE2 LYS A 72 13.733 19.686 76.196 1.00 28.64 H new ATOM 0 HE3 LYS A 72 13.528 18.172 76.508 1.00 28.64 H new ATOM 0 HZ1 LYS A 72 13.170 18.647 78.543 1.00 30.61 H new ATOM 0 HZ2 LYS A 72 14.400 19.409 78.675 1.00 30.61 H new ATOM 0 HZ3 LYS A 72 13.188 20.061 78.208 1.00 30.61 H new ATOM 599 N ASP A 73 15.083 15.056 80.034 1.00 18.53 N ATOM 600 CA ASP A 73 14.912 15.339 81.464 1.00 18.36 C ATOM 601 C ASP A 73 15.189 14.135 82.367 1.00 17.01 C ATOM 602 O ASP A 73 14.763 14.129 83.525 1.00 16.44 O ATOM 603 CB ASP A 73 13.495 15.843 81.755 1.00 20.08 C ATOM 604 CG ASP A 73 13.199 17.196 81.131 1.00 24.74 C ATOM 605 OD1 ASP A 73 14.145 17.925 80.729 1.00 29.13 O ATOM 606 OD2 ASP A 73 11.988 17.527 81.054 1.00 30.18 O ATOM 0 H ASP A 73 14.398 14.693 79.661 1.00 18.53 H new ATOM 0 HA ASP A 73 15.570 16.022 81.668 1.00 18.36 H new ATOM 0 HB2 ASP A 73 12.854 15.194 81.425 1.00 20.08 H new ATOM 0 HB3 ASP A 73 13.370 15.902 82.715 1.00 20.08 H new ATOM 607 N ALA A 74 15.855 13.108 81.842 1.00 15.12 N ATOM 608 CA ALA A 74 16.219 11.936 82.670 1.00 14.49 C ATOM 609 C ALA A 74 17.030 12.378 83.878 1.00 13.71 C ATOM 610 O ALA A 74 17.775 13.369 83.817 1.00 14.71 O ATOM 611 CB ALA A 74 17.015 10.917 81.869 1.00 14.62 C ATOM 0 H ALA A 74 16.106 13.061 81.021 1.00 15.12 H new ATOM 0 HA ALA A 74 15.396 11.517 82.966 1.00 14.49 H new ATOM 0 HB1 ALA A 74 17.239 10.163 82.436 1.00 14.62 H new ATOM 0 HB2 ALA A 74 16.484 10.610 81.117 1.00 14.62 H new ATOM 0 HB3 ALA A 74 17.831 11.328 81.542 1.00 14.62 H new ATOM 612 N LYS A 75 16.892 11.636 84.976 1.00 13.09 N ATOM 613 CA LYS A 75 17.746 11.855 86.155 1.00 12.62 C ATOM 614 C LYS A 75 18.774 10.732 86.216 1.00 11.85 C ATOM 615 O LYS A 75 18.426 9.559 86.244 1.00 12.19 O ATOM 616 CB LYS A 75 16.917 11.926 87.445 1.00 12.94 C ATOM 617 CG LYS A 75 15.889 13.045 87.459 1.00 13.71 C ATOM 618 CD LYS A 75 16.491 14.419 87.523 1.00 19.13 C ATOM 619 CE LYS A 75 15.429 15.500 87.331 1.00 22.95 C ATOM 620 NZ LYS A 75 16.083 16.798 87.027 1.00 24.32 N ATOM 0 H LYS A 75 16.315 11.004 85.063 1.00 13.09 H new ATOM 0 HA LYS A 75 18.199 12.709 86.074 1.00 12.62 H new ATOM 0 HB2 LYS A 75 16.461 11.079 87.573 1.00 12.94 H new ATOM 0 HB3 LYS A 75 17.517 12.041 88.198 1.00 12.94 H new ATOM 0 HG2 LYS A 75 15.340 12.978 86.662 1.00 13.71 H new ATOM 0 HG3 LYS A 75 15.301 12.923 88.220 1.00 13.71 H new ATOM 0 HD2 LYS A 75 16.930 14.542 88.379 1.00 19.13 H new ATOM 0 HD3 LYS A 75 17.173 14.508 86.839 1.00 19.13 H new ATOM 0 HE2 LYS A 75 14.831 15.253 86.609 1.00 22.95 H new ATOM 0 HE3 LYS A 75 14.888 15.580 88.132 1.00 22.95 H new ATOM 0 HZ1 LYS A 75 15.471 17.380 86.747 1.00 24.32 H new ATOM 0 HZ2 LYS A 75 16.476 17.112 87.761 1.00 24.32 H new ATOM 0 HZ3 LYS A 75 16.694 16.681 86.391 1.00 24.32 H new ATOM 621 N ILE A 76 20.053 11.112 86.221 1.00 12.31 N ATOM 622 CA ILE A 76 21.152 10.155 86.066 1.00 11.68 C ATOM 623 C ILE A 76 22.205 10.425 87.119 1.00 11.48 C ATOM 624 O ILE A 76 22.693 11.540 87.227 1.00 11.14 O ATOM 625 CB ILE A 76 21.848 10.275 84.682 1.00 11.75 C ATOM 626 CG1 ILE A 76 20.840 10.123 83.527 1.00 12.36 C ATOM 627 CG2 ILE A 76 23.016 9.288 84.597 1.00 13.59 C ATOM 628 CD1 ILE A 76 21.460 10.339 82.106 1.00 13.75 C ATOM 0 H ILE A 76 20.308 11.928 86.314 1.00 12.31 H new ATOM 0 HA ILE A 76 20.768 9.269 86.153 1.00 11.68 H new ATOM 0 HB ILE A 76 22.217 11.167 84.589 1.00 11.75 H new ATOM 0 HG12 ILE A 76 20.448 9.237 83.567 1.00 12.36 H new ATOM 0 HG13 ILE A 76 20.118 10.758 83.655 1.00 12.36 H new ATOM 0 HG21 ILE A 76 23.445 9.368 83.731 1.00 13.59 H new ATOM 0 HG22 ILE A 76 23.659 9.486 85.296 1.00 13.59 H new ATOM 0 HG23 ILE A 76 22.684 8.383 84.710 1.00 13.59 H new ATOM 0 HD11 ILE A 76 20.771 10.228 81.432 1.00 13.75 H new ATOM 0 HD12 ILE A 76 21.829 11.234 82.047 1.00 13.75 H new ATOM 0 HD13 ILE A 76 22.164 9.689 81.958 1.00 13.75 H new ATOM 629 N ILE A 77 22.538 9.399 87.890 1.00 9.93 N ATOM 630 CA ILE A 77 23.677 9.465 88.811 1.00 11.08 C ATOM 631 C ILE A 77 24.712 8.469 88.327 1.00 11.06 C ATOM 632 O ILE A 77 24.399 7.291 88.098 1.00 11.45 O ATOM 633 CB ILE A 77 23.263 9.044 90.218 1.00 10.97 C ATOM 634 CG1 ILE A 77 22.326 10.082 90.834 1.00 12.06 C ATOM 635 CG2 ILE A 77 24.512 8.870 91.115 1.00 11.86 C ATOM 636 CD1 ILE A 77 21.651 9.564 92.118 1.00 14.36 C ATOM 0 H ILE A 77 22.118 8.649 87.898 1.00 9.93 H new ATOM 0 HA ILE A 77 24.016 10.373 88.835 1.00 11.08 H new ATOM 0 HB ILE A 77 22.795 8.196 90.157 1.00 10.97 H new ATOM 0 HG12 ILE A 77 22.826 10.888 91.036 1.00 12.06 H new ATOM 0 HG13 ILE A 77 21.645 10.325 90.188 1.00 12.06 H new ATOM 0 HG21 ILE A 77 24.236 8.603 92.006 1.00 11.86 H new ATOM 0 HG22 ILE A 77 25.089 8.188 90.737 1.00 11.86 H new ATOM 0 HG23 ILE A 77 24.994 9.710 91.165 1.00 11.86 H new ATOM 0 HD11 ILE A 77 21.067 10.250 92.476 1.00 14.36 H new ATOM 0 HD12 ILE A 77 21.131 8.772 91.913 1.00 14.36 H new ATOM 0 HD13 ILE A 77 22.330 9.343 92.774 1.00 14.36 H new ATOM 637 N LEU A 78 25.948 8.935 88.143 1.00 10.25 N ATOM 638 CA LEU A 78 27.056 8.002 87.969 1.00 10.24 C ATOM 639 C LEU A 78 27.504 7.571 89.360 1.00 9.79 C ATOM 640 O LEU A 78 27.773 8.414 90.196 1.00 11.58 O ATOM 641 CB LEU A 78 28.205 8.664 87.189 1.00 10.05 C ATOM 642 CG LEU A 78 27.855 8.885 85.706 1.00 10.91 C ATOM 643 CD1 LEU A 78 28.770 9.971 85.123 1.00 14.78 C ATOM 644 CD2 LEU A 78 27.947 7.596 84.908 1.00 12.04 C ATOM 0 H LEU A 78 26.161 9.768 88.116 1.00 10.25 H new ATOM 0 HA LEU A 78 26.779 7.229 87.453 1.00 10.24 H new ATOM 0 HB2 LEU A 78 28.422 9.516 87.598 1.00 10.05 H new ATOM 0 HB3 LEU A 78 28.998 8.109 87.253 1.00 10.05 H new ATOM 0 HG LEU A 78 26.934 9.182 85.646 1.00 10.91 H new ATOM 0 HD11 LEU A 78 28.551 10.112 84.189 1.00 14.78 H new ATOM 0 HD12 LEU A 78 28.643 10.799 85.613 1.00 14.78 H new ATOM 0 HD13 LEU A 78 29.695 9.690 85.199 1.00 14.78 H new ATOM 0 HD21 LEU A 78 27.721 7.772 83.981 1.00 12.04 H new ATOM 0 HD22 LEU A 78 28.851 7.247 84.959 1.00 12.04 H new ATOM 0 HD23 LEU A 78 27.328 6.944 85.273 1.00 12.04 H new ATOM 645 N LEU A 79 27.529 6.259 89.600 1.00 9.16 N ATOM 646 CA LEU A 79 27.983 5.691 90.868 1.00 9.76 C ATOM 647 C LEU A 79 29.067 4.677 90.576 1.00 9.65 C ATOM 648 O LEU A 79 28.796 3.567 90.096 1.00 9.09 O ATOM 649 CB LEU A 79 26.821 5.060 91.624 1.00 9.31 C ATOM 650 CG LEU A 79 27.196 4.320 92.909 1.00 9.59 C ATOM 651 CD1 LEU A 79 27.769 5.292 93.968 1.00 10.46 C ATOM 652 CD2 LEU A 79 25.988 3.524 93.439 1.00 10.27 C ATOM 0 H LEU A 79 27.280 5.670 89.025 1.00 9.16 H new ATOM 0 HA LEU A 79 28.342 6.391 91.435 1.00 9.76 H new ATOM 0 HB2 LEU A 79 26.183 5.756 91.845 1.00 9.31 H new ATOM 0 HB3 LEU A 79 26.369 4.439 91.032 1.00 9.31 H new ATOM 0 HG LEU A 79 27.900 3.684 92.708 1.00 9.59 H new ATOM 0 HD11 LEU A 79 27.998 4.798 94.771 1.00 10.46 H new ATOM 0 HD12 LEU A 79 28.564 5.722 93.616 1.00 10.46 H new ATOM 0 HD13 LEU A 79 27.105 5.966 94.182 1.00 10.46 H new ATOM 0 HD21 LEU A 79 26.238 3.060 94.253 1.00 10.27 H new ATOM 0 HD22 LEU A 79 25.256 4.133 93.626 1.00 10.27 H new ATOM 0 HD23 LEU A 79 25.708 2.878 92.772 1.00 10.27 H new ATOM 653 N THR A 80 30.309 5.071 90.867 1.00 10.16 N ATOM 654 CA THR A 80 31.466 4.318 90.433 1.00 10.36 C ATOM 655 C THR A 80 32.469 4.217 91.583 1.00 9.56 C ATOM 656 O THR A 80 32.509 5.102 92.446 1.00 9.38 O ATOM 657 CB THR A 80 32.141 5.005 89.214 1.00 11.12 C ATOM 658 OG1 THR A 80 33.361 4.319 88.876 1.00 10.95 O ATOM 659 CG2 THR A 80 32.383 6.495 89.463 1.00 10.95 C ATOM 0 H THR A 80 30.495 5.779 91.319 1.00 10.16 H new ATOM 0 HA THR A 80 31.178 3.430 90.168 1.00 10.36 H new ATOM 0 HB THR A 80 31.536 4.946 88.458 1.00 11.12 H new ATOM 0 HG1 THR A 80 33.179 3.607 88.468 1.00 10.95 H new ATOM 0 HG21 THR A 80 32.804 6.889 88.683 1.00 10.95 H new ATOM 0 HG22 THR A 80 31.536 6.937 89.631 1.00 10.95 H new ATOM 0 HG23 THR A 80 32.962 6.605 90.233 1.00 10.95 H new ATOM 660 N ALA A 81 33.255 3.147 91.597 1.00 9.41 N ATOM 661 CA ALA A 81 34.320 3.034 92.593 1.00 10.47 C ATOM 662 C ALA A 81 35.385 4.107 92.421 1.00 11.06 C ATOM 663 O ALA A 81 36.112 4.431 93.382 1.00 11.39 O ATOM 664 CB ALA A 81 34.970 1.662 92.529 1.00 9.42 C ATOM 0 H ALA A 81 33.193 2.486 91.051 1.00 9.41 H new ATOM 0 HA ALA A 81 33.905 3.159 93.461 1.00 10.47 H new ATOM 0 HB1 ALA A 81 35.673 1.605 93.195 1.00 9.42 H new ATOM 0 HB2 ALA A 81 34.303 0.979 92.704 1.00 9.42 H new ATOM 0 HB3 ALA A 81 35.350 1.524 91.647 1.00 9.42 H new ATOM 665 N TYR A 82 35.474 4.669 91.214 1.00 10.48 N ATOM 666 CA TYR A 82 36.639 5.457 90.793 1.00 11.73 C ATOM 667 C TYR A 82 36.352 6.921 90.579 1.00 12.52 C ATOM 668 O TYR A 82 35.419 7.274 89.856 1.00 12.27 O ATOM 669 CB TYR A 82 37.234 4.831 89.525 1.00 12.93 C ATOM 670 CG TYR A 82 37.490 3.353 89.731 1.00 14.16 C ATOM 671 CD1 TYR A 82 38.531 2.922 90.568 1.00 15.98 C ATOM 672 CD2 TYR A 82 36.652 2.384 89.151 1.00 14.60 C ATOM 673 CE1 TYR A 82 38.766 1.571 90.798 1.00 16.58 C ATOM 674 CE2 TYR A 82 36.866 1.026 89.370 1.00 13.10 C ATOM 675 CZ TYR A 82 37.944 0.622 90.196 1.00 16.12 C ATOM 676 OH TYR A 82 38.183 -0.726 90.439 1.00 19.03 O ATOM 0 H TYR A 82 34.861 4.605 90.615 1.00 10.48 H new ATOM 0 HA TYR A 82 37.277 5.429 91.523 1.00 11.73 H new ATOM 0 HB2 TYR A 82 36.627 4.958 88.780 1.00 12.93 H new ATOM 0 HB3 TYR A 82 38.063 5.279 89.295 1.00 12.93 H new ATOM 0 HD1 TYR A 82 39.076 3.554 90.978 1.00 15.98 H new ATOM 0 HD2 TYR A 82 35.944 2.655 88.613 1.00 14.60 H new ATOM 0 HE1 TYR A 82 39.466 1.304 91.349 1.00 16.58 H new ATOM 0 HE2 TYR A 82 36.309 0.392 88.979 1.00 13.10 H new ATOM 0 HH TYR A 82 38.516 -0.818 91.205 1.00 19.03 H new ATOM 677 N SER A 83 37.154 7.784 91.209 1.00 12.69 N ATOM 678 CA SER A 83 37.003 9.229 91.013 1.00 13.50 C ATOM 679 C SER A 83 37.603 9.710 89.704 1.00 13.72 C ATOM 680 O SER A 83 37.400 10.875 89.324 1.00 14.07 O ATOM 681 CB SER A 83 37.644 10.006 92.167 1.00 13.17 C ATOM 682 OG SER A 83 38.946 9.512 92.426 1.00 14.33 O ATOM 0 H SER A 83 37.785 7.557 91.748 1.00 12.69 H new ATOM 0 HA SER A 83 36.048 9.397 90.987 1.00 13.50 H new ATOM 0 HB2 SER A 83 37.687 10.950 91.946 1.00 13.17 H new ATOM 0 HB3 SER A 83 37.096 9.926 92.963 1.00 13.17 H new ATOM 0 HG SER A 83 39.489 9.858 91.887 1.00 14.33 H new ATOM 683 N HIS A 84 38.340 8.830 89.035 1.00 14.43 N ATOM 684 CA HIS A 84 39.039 9.134 87.774 1.00 14.89 C ATOM 685 C HIS A 84 38.179 9.875 86.758 1.00 15.35 C ATOM 686 O HIS A 84 38.607 10.861 86.147 1.00 14.62 O ATOM 687 CB HIS A 84 39.549 7.849 87.143 1.00 15.56 C ATOM 688 CG HIS A 84 40.290 8.064 85.871 1.00 17.96 C ATOM 689 ND1 HIS A 84 41.534 8.659 85.830 1.00 21.39 N ATOM 690 CD2 HIS A 84 39.955 7.795 84.590 1.00 20.34 C ATOM 691 CE1 HIS A 84 41.948 8.714 84.575 1.00 21.87 C ATOM 692 NE2 HIS A 84 41.012 8.191 83.805 1.00 22.32 N ATOM 0 H HIS A 84 38.454 8.020 89.301 1.00 14.43 H new ATOM 0 HA HIS A 84 39.772 9.724 88.010 1.00 14.89 H new ATOM 0 HB2 HIS A 84 40.130 7.396 87.774 1.00 15.56 H new ATOM 0 HB3 HIS A 84 38.797 7.259 86.975 1.00 15.56 H new ATOM 0 HD2 HIS A 84 39.160 7.414 84.295 1.00 20.34 H new ATOM 0 HE1 HIS A 84 42.760 9.062 84.285 1.00 21.87 H new ATOM 0 HE2 HIS A 84 41.056 8.111 82.950 1.00 22.32 H new ATOM 693 N TYR A 85 36.950 9.397 86.590 1.00 14.99 N ATOM 694 CA TYR A 85 36.087 9.905 85.520 1.00 15.40 C ATOM 695 C TYR A 85 35.387 11.234 85.806 1.00 16.51 C ATOM 696 O TYR A 85 34.706 11.776 84.920 1.00 16.11 O ATOM 697 CB TYR A 85 35.075 8.825 85.161 1.00 15.10 C ATOM 698 CG TYR A 85 35.675 7.495 84.805 1.00 14.44 C ATOM 699 CD1 TYR A 85 36.169 7.259 83.513 1.00 13.33 C ATOM 700 CD2 TYR A 85 35.752 6.457 85.748 1.00 13.01 C ATOM 701 CE1 TYR A 85 36.727 6.025 83.167 1.00 14.41 C ATOM 702 CE2 TYR A 85 36.300 5.206 85.411 1.00 11.98 C ATOM 703 CZ TYR A 85 36.796 5.012 84.100 1.00 13.92 C ATOM 704 OH TYR A 85 37.305 3.794 83.720 1.00 16.53 O ATOM 0 H TYR A 85 36.596 8.784 87.078 1.00 14.99 H new ATOM 0 HA TYR A 85 36.671 10.109 84.773 1.00 15.40 H new ATOM 0 HB2 TYR A 85 34.471 8.703 85.910 1.00 15.10 H new ATOM 0 HB3 TYR A 85 34.541 9.135 84.413 1.00 15.10 H new ATOM 0 HD1 TYR A 85 36.124 7.935 82.876 1.00 13.33 H new ATOM 0 HD2 TYR A 85 35.435 6.599 86.611 1.00 13.01 H new ATOM 0 HE1 TYR A 85 37.052 5.887 82.307 1.00 14.41 H new ATOM 0 HE2 TYR A 85 36.336 4.520 86.038 1.00 11.98 H new ATOM 0 HH TYR A 85 37.198 3.239 84.341 1.00 16.53 H new ATOM 705 N ARG A 86 35.550 11.775 87.015 1.00 17.83 N ATOM 706 CA ARG A 86 34.888 13.037 87.369 1.00 20.58 C ATOM 707 C ARG A 86 35.250 14.175 86.410 1.00 21.69 C ATOM 708 O ARG A 86 34.399 15.004 86.076 1.00 22.70 O ATOM 709 CB ARG A 86 35.141 13.433 88.827 1.00 20.92 C ATOM 710 CG ARG A 86 34.043 14.345 89.388 1.00 22.42 C ATOM 711 CD ARG A 86 34.345 14.834 90.811 1.00 23.21 C ATOM 712 NE ARG A 86 34.143 13.825 91.867 1.00 26.69 N ATOM 713 CZ ARG A 86 32.954 13.525 92.391 1.00 25.26 C ATOM 714 NH1 ARG A 86 31.859 14.118 91.938 1.00 26.45 N ATOM 715 NH2 ARG A 86 32.851 12.632 93.358 1.00 25.76 N ATOM 0 H ARG A 86 36.033 11.433 87.639 1.00 17.83 H new ATOM 0 HA ARG A 86 33.936 12.878 87.275 1.00 20.58 H new ATOM 0 HB2 ARG A 86 35.201 12.632 89.371 1.00 20.92 H new ATOM 0 HB3 ARG A 86 35.997 13.885 88.892 1.00 20.92 H new ATOM 0 HG2 ARG A 86 33.935 15.111 88.803 1.00 22.42 H new ATOM 0 HG3 ARG A 86 33.199 13.866 89.387 1.00 22.42 H new ATOM 0 HD2 ARG A 86 35.265 15.141 90.846 1.00 23.21 H new ATOM 0 HD3 ARG A 86 33.783 15.601 91.002 1.00 23.21 H new ATOM 0 HE ARG A 86 34.833 13.405 92.163 1.00 26.69 H new ATOM 0 HH11 ARG A 86 31.914 14.697 91.305 1.00 26.45 H new ATOM 0 HH12 ARG A 86 31.093 13.923 92.277 1.00 26.45 H new ATOM 0 HH21 ARG A 86 33.555 12.238 93.656 1.00 25.76 H new ATOM 0 HH22 ARG A 86 32.080 12.445 93.690 1.00 25.76 H new ATOM 716 N SER A 87 36.492 14.186 85.949 1.00 22.51 N ATOM 717 CA SER A 87 36.960 15.231 85.036 1.00 23.73 C ATOM 718 C SER A 87 36.907 14.790 83.560 1.00 24.06 C ATOM 719 O SER A 87 37.535 15.408 82.682 1.00 25.02 O ATOM 720 CB SER A 87 38.374 15.650 85.418 1.00 24.33 C ATOM 721 OG SER A 87 39.273 14.574 85.235 1.00 25.09 O ATOM 0 H SER A 87 37.085 13.597 86.151 1.00 22.51 H new ATOM 0 HA SER A 87 36.360 15.988 85.123 1.00 23.73 H new ATOM 0 HB2 SER A 87 38.651 16.406 84.877 1.00 24.33 H new ATOM 0 HB3 SER A 87 38.393 15.941 86.343 1.00 24.33 H new ATOM 0 HG SER A 87 40.048 14.817 85.447 1.00 25.09 H new ATOM 722 N ASP A 88 36.172 13.708 83.304 1.00 23.18 N ATOM 723 CA ASP A 88 35.940 13.201 81.963 1.00 22.55 C ATOM 724 C ASP A 88 34.717 13.931 81.423 1.00 22.34 C ATOM 725 O ASP A 88 33.674 13.971 82.078 1.00 21.12 O ATOM 726 CB ASP A 88 35.648 11.703 82.045 1.00 22.80 C ATOM 727 CG ASP A 88 35.718 11.007 80.702 1.00 24.82 C ATOM 728 OD1 ASP A 88 35.053 11.453 79.748 1.00 26.16 O ATOM 729 OD2 ASP A 88 36.421 9.981 80.613 1.00 25.41 O ATOM 0 H ASP A 88 35.790 13.244 83.919 1.00 23.18 H new ATOM 0 HA ASP A 88 36.709 13.341 81.389 1.00 22.55 H new ATOM 0 HB2 ASP A 88 36.282 11.289 82.651 1.00 22.80 H new ATOM 0 HB3 ASP A 88 34.765 11.572 82.425 1.00 22.80 H new HETATM 730 N MSE A 89 34.829 14.532 80.246 1.00 21.54 N HETATM 731 CA MSE A 89 33.725 15.363 79.767 1.00 22.76 C HETATM 732 C MSE A 89 32.453 14.544 79.544 1.00 20.93 C HETATM 733 O MSE A 89 31.340 15.077 79.643 1.00 20.70 O HETATM 734 CB AMSE A 89 34.104 16.131 78.503 0.60 22.12 C HETATM 735 CB BMSE A 89 34.118 16.074 78.468 0.40 22.58 C HETATM 736 CG AMSE A 89 34.235 15.282 77.282 0.60 22.05 C HETATM 737 CG BMSE A 89 35.232 17.090 78.648 0.40 24.48 C HETATM 738 SE AMSE A 89 34.514 16.432 75.764 0.60 23.70 SE HETATM 739 SE BMSE A 89 35.378 18.331 77.153 0.40 29.88 SE HETATM 740 CE AMSE A 89 36.372 16.955 76.094 0.60 23.25 C HETATM 741 CE BMSE A 89 36.418 17.227 75.934 0.40 28.12 C HETATM 0 H MSE A 89 35.509 14.478 79.723 1.00 21.54 H new HETATM 0 HA MSE A 89 33.540 16.011 80.464 1.00 22.76 H new HETATM 0 HB2AMSE A 89 33.434 16.813 78.339 0.60 22.58 H new HETATM 0 HB2BMSE A 89 34.396 15.412 77.816 0.40 22.58 H new HETATM 0 HB3AMSE A 89 34.945 16.590 78.656 0.60 22.58 H new HETATM 0 HB3BMSE A 89 33.338 16.521 78.103 0.40 22.58 H new HETATM 0 HG2AMSE A 89 34.978 14.665 77.378 0.60 24.48 H new HETATM 0 HG2BMSE A 89 35.077 17.591 79.464 0.40 24.48 H new HETATM 0 HG3AMSE A 89 33.436 14.746 77.157 0.60 24.48 H new HETATM 0 HG3BMSE A 89 36.075 16.623 78.758 0.40 24.48 H new HETATM 0 HE1AMSE A 89 36.669 17.555 75.392 0.60 28.12 H new HETATM 0 HE1BMSE A 89 36.582 17.717 75.113 0.40 28.12 H new HETATM 0 HE2AMSE A 89 36.434 17.405 76.951 0.60 28.12 H new HETATM 0 HE2BMSE A 89 37.265 16.998 76.347 0.40 28.12 H new HETATM 0 HE3AMSE A 89 36.934 16.165 76.103 0.60 28.12 H new HETATM 0 HE3BMSE A 89 35.927 16.415 75.733 0.40 28.12 H new ATOM 742 N SER A 90 32.611 13.256 79.242 1.00 19.01 N ATOM 743 CA SER A 90 31.435 12.412 79.069 1.00 18.02 C ATOM 744 C SER A 90 30.602 12.367 80.342 1.00 16.78 C ATOM 745 O SER A 90 29.400 12.138 80.291 1.00 15.48 O ATOM 746 CB SER A 90 31.824 11.007 78.645 1.00 18.93 C ATOM 747 OG SER A 90 32.215 11.013 77.300 1.00 20.04 O ATOM 0 H SER A 90 33.368 12.862 79.136 1.00 19.01 H new ATOM 0 HA SER A 90 30.897 12.804 78.364 1.00 18.02 H new ATOM 0 HB2 SER A 90 32.549 10.681 79.201 1.00 18.93 H new ATOM 0 HB3 SER A 90 31.076 10.403 78.771 1.00 18.93 H new ATOM 0 HG SER A 90 33.043 11.142 77.249 1.00 20.04 H new ATOM 748 N SER A 91 31.231 12.603 81.491 1.00 16.45 N ATOM 749 CA ASER A 91 30.491 12.569 82.751 0.60 17.40 C ATOM 750 CA BSER A 91 30.504 12.600 82.765 0.40 16.92 C ATOM 751 C SER A 91 29.471 13.714 82.879 1.00 17.75 C ATOM 752 O SER A 91 28.588 13.674 83.748 1.00 17.86 O ATOM 753 CB ASER A 91 31.457 12.525 83.950 0.60 17.05 C ATOM 754 CB BSER A 91 31.480 12.682 83.939 0.40 16.59 C ATOM 755 OG ASER A 91 32.129 13.757 84.116 0.60 18.84 O ATOM 756 OG BSER A 91 32.151 11.458 84.094 0.40 15.02 O ATOM 0 H ASER A 91 32.069 12.781 81.564 0.60 16.45 H new ATOM 0 H BSER A 91 32.073 12.766 81.558 0.40 16.45 H new ATOM 0 HA ASER A 91 29.970 11.751 82.752 0.60 16.92 H new ATOM 0 HA BSER A 91 30.018 11.761 82.793 0.40 16.92 H new ATOM 0 HB2ASER A 91 30.963 12.312 84.758 0.60 16.59 H new ATOM 0 HB2BSER A 91 32.121 13.394 83.787 0.40 16.59 H new ATOM 0 HB3ASER A 91 32.106 11.816 83.819 0.60 16.59 H new ATOM 0 HB3BSER A 91 31.000 12.902 84.753 0.40 16.59 H new ATOM 0 HG ASER A 91 32.623 13.899 83.451 0.60 15.02 H new ATOM 0 HG BSER A 91 32.939 11.600 84.349 0.40 15.02 H new ATOM 757 N TRP A 92 29.586 14.724 82.005 1.00 18.22 N ATOM 758 CA TRP A 92 28.689 15.885 82.004 1.00 19.69 C ATOM 759 C TRP A 92 27.242 15.543 81.650 1.00 18.62 C ATOM 760 O TRP A 92 26.334 16.321 81.932 1.00 18.72 O ATOM 761 CB TRP A 92 29.210 16.981 81.060 1.00 22.00 C ATOM 762 CG TRP A 92 30.611 17.458 81.385 1.00 24.16 C ATOM 763 CD1 TRP A 92 31.351 17.152 82.497 1.00 25.88 C ATOM 764 CD2 TRP A 92 31.410 18.370 80.614 1.00 26.80 C ATOM 765 NE1 TRP A 92 32.567 17.793 82.452 1.00 27.71 N ATOM 766 CE2 TRP A 92 32.626 18.552 81.310 1.00 26.83 C ATOM 767 CE3 TRP A 92 31.216 19.049 79.402 1.00 28.01 C ATOM 768 CZ2 TRP A 92 33.654 19.378 80.828 1.00 27.42 C ATOM 769 CZ3 TRP A 92 32.241 19.869 78.918 1.00 27.14 C ATOM 770 CH2 TRP A 92 33.442 20.025 79.635 1.00 26.46 C ATOM 0 H TRP A 92 30.191 14.752 81.394 1.00 18.22 H new ATOM 0 HA TRP A 92 28.685 16.212 82.917 1.00 19.69 H new ATOM 0 HB2 TRP A 92 29.195 16.645 80.150 1.00 22.00 H new ATOM 0 HB3 TRP A 92 28.605 17.738 81.093 1.00 22.00 H new ATOM 0 HD1 TRP A 92 31.071 16.591 83.184 1.00 25.88 H new ATOM 0 HE1 TRP A 92 33.189 17.729 83.043 1.00 27.71 H new ATOM 0 HE3 TRP A 92 30.421 18.956 78.929 1.00 28.01 H new ATOM 0 HZ2 TRP A 92 34.449 19.483 81.299 1.00 27.42 H new ATOM 0 HZ3 TRP A 92 32.127 20.317 78.111 1.00 27.14 H new ATOM 0 HH2 TRP A 92 34.107 20.578 79.293 1.00 26.46 H new ATOM 771 N ALA A 93 27.050 14.386 81.018 1.00 16.92 N ATOM 772 CA ALA A 93 25.708 13.847 80.727 1.00 16.01 C ATOM 773 C ALA A 93 24.928 13.526 81.998 1.00 15.64 C ATOM 774 O ALA A 93 23.693 13.495 81.959 1.00 15.71 O ATOM 775 CB ALA A 93 25.802 12.593 79.852 1.00 16.37 C ATOM 0 H ALA A 93 27.693 13.886 80.743 1.00 16.92 H new ATOM 0 HA ALA A 93 25.228 14.540 80.247 1.00 16.01 H new ATOM 0 HB1 ALA A 93 24.910 12.256 79.673 1.00 16.37 H new ATOM 0 HB2 ALA A 93 26.238 12.815 79.014 1.00 16.37 H new ATOM 0 HB3 ALA A 93 26.318 11.914 80.314 1.00 16.37 H new ATOM 776 N ALA A 94 25.628 13.258 83.105 1.00 14.61 N ATOM 777 CA ALA A 94 24.936 12.889 84.345 1.00 14.74 C ATOM 778 C ALA A 94 24.571 14.101 85.188 1.00 14.56 C ATOM 779 O ALA A 94 25.193 15.151 85.085 1.00 15.16 O ATOM 780 CB ALA A 94 25.781 11.893 85.162 1.00 14.26 C ATOM 0 H ALA A 94 26.486 13.283 83.160 1.00 14.61 H new ATOM 0 HA ALA A 94 24.104 12.460 84.090 1.00 14.74 H new ATOM 0 HB1 ALA A 94 25.309 11.660 85.977 1.00 14.26 H new ATOM 0 HB2 ALA A 94 25.934 11.092 84.637 1.00 14.26 H new ATOM 0 HB3 ALA A 94 26.633 12.299 85.387 1.00 14.26 H new ATOM 781 N ASP A 95 23.553 13.961 86.036 1.00 13.82 N ATOM 782 CA ASP A 95 23.196 15.010 86.974 1.00 14.19 C ATOM 783 C ASP A 95 24.132 15.060 88.182 1.00 14.12 C ATOM 784 O ASP A 95 24.449 16.141 88.673 1.00 15.75 O ATOM 785 CB ASP A 95 21.749 14.827 87.435 1.00 14.07 C ATOM 786 CG ASP A 95 20.783 14.912 86.282 1.00 15.46 C ATOM 787 OD1 ASP A 95 20.435 16.047 85.891 1.00 18.86 O ATOM 788 OD2 ASP A 95 20.420 13.856 85.745 1.00 15.48 O ATOM 0 H ASP A 95 23.057 13.260 86.080 1.00 13.82 H new ATOM 0 HA ASP A 95 23.288 15.856 86.509 1.00 14.19 H new ATOM 0 HB2 ASP A 95 21.655 13.967 87.874 1.00 14.07 H new ATOM 0 HB3 ASP A 95 21.530 15.506 88.092 1.00 14.07 H new ATOM 789 N GLU A 96 24.562 13.893 88.662 1.00 13.25 N ATOM 790 CA GLU A 96 25.437 13.804 89.834 1.00 12.59 C ATOM 791 C GLU A 96 26.464 12.712 89.617 1.00 12.68 C ATOM 792 O GLU A 96 26.213 11.781 88.860 1.00 12.54 O ATOM 793 CB GLU A 96 24.653 13.485 91.109 1.00 13.72 C ATOM 794 CG GLU A 96 23.592 14.502 91.510 1.00 16.06 C ATOM 795 CD GLU A 96 24.142 15.883 91.847 1.00 21.31 C ATOM 796 OE1 GLU A 96 25.356 16.007 92.146 1.00 21.88 O ATOM 797 OE2 GLU A 96 23.332 16.848 91.825 1.00 23.97 O ATOM 0 H GLU A 96 24.356 13.132 88.319 1.00 13.25 H new ATOM 0 HA GLU A 96 25.866 14.667 89.943 1.00 12.59 H new ATOM 0 HB2 GLU A 96 24.223 12.623 90.997 1.00 13.72 H new ATOM 0 HB3 GLU A 96 25.283 13.395 91.841 1.00 13.72 H new ATOM 0 HG2 GLU A 96 22.952 14.588 90.786 1.00 16.06 H new ATOM 0 HG3 GLU A 96 23.107 14.162 92.278 1.00 16.06 H new ATOM 798 N TYR A 97 27.591 12.816 90.326 1.00 12.20 N ATOM 799 CA TYR A 97 28.647 11.805 90.259 1.00 12.21 C ATOM 800 C TYR A 97 28.963 11.436 91.692 1.00 12.13 C ATOM 801 O TYR A 97 29.279 12.312 92.505 1.00 14.21 O ATOM 802 CB TYR A 97 29.869 12.409 89.572 1.00 12.50 C ATOM 803 CG TYR A 97 31.018 11.486 89.260 1.00 12.51 C ATOM 804 CD1 TYR A 97 31.814 10.947 90.285 1.00 14.55 C ATOM 805 CD2 TYR A 97 31.373 11.201 87.939 1.00 11.04 C ATOM 806 CE1 TYR A 97 32.910 10.092 89.973 1.00 13.35 C ATOM 807 CE2 TYR A 97 32.451 10.355 87.619 1.00 13.13 C ATOM 808 CZ TYR A 97 33.232 9.811 88.651 1.00 12.19 C ATOM 809 OH TYR A 97 34.307 9.001 88.325 1.00 12.22 O ATOM 0 H TYR A 97 27.763 13.471 90.856 1.00 12.20 H new ATOM 0 HA TYR A 97 28.379 11.021 89.754 1.00 12.21 H new ATOM 0 HB2 TYR A 97 29.576 12.814 88.741 1.00 12.50 H new ATOM 0 HB3 TYR A 97 30.204 13.126 90.133 1.00 12.50 H new ATOM 0 HD1 TYR A 97 31.624 11.150 91.173 1.00 14.55 H new ATOM 0 HD2 TYR A 97 30.881 11.583 87.249 1.00 11.04 H new ATOM 0 HE1 TYR A 97 33.414 9.719 90.660 1.00 13.35 H new ATOM 0 HE2 TYR A 97 32.645 10.158 86.731 1.00 13.13 H new ATOM 0 HH TYR A 97 34.678 8.731 89.029 1.00 12.22 H new ATOM 810 N VAL A 98 28.855 10.152 92.014 1.00 11.31 N ATOM 811 CA VAL A 98 29.078 9.702 93.383 1.00 11.69 C ATOM 812 C VAL A 98 30.124 8.591 93.365 1.00 11.64 C ATOM 813 O VAL A 98 30.007 7.643 92.605 1.00 10.93 O ATOM 814 CB VAL A 98 27.745 9.222 94.030 1.00 12.20 C ATOM 815 CG1 VAL A 98 27.974 8.691 95.422 1.00 12.13 C ATOM 816 CG2 VAL A 98 26.740 10.366 94.054 1.00 13.55 C ATOM 0 H VAL A 98 28.654 9.528 91.458 1.00 11.31 H new ATOM 0 HA VAL A 98 29.405 10.438 93.924 1.00 11.69 H new ATOM 0 HB VAL A 98 27.388 8.497 93.493 1.00 12.20 H new ATOM 0 HG11 VAL A 98 27.130 8.400 95.800 1.00 12.13 H new ATOM 0 HG12 VAL A 98 28.587 7.940 95.385 1.00 12.13 H new ATOM 0 HG13 VAL A 98 28.352 9.391 95.977 1.00 12.13 H new ATOM 0 HG21 VAL A 98 25.912 10.061 94.458 1.00 13.55 H new ATOM 0 HG22 VAL A 98 27.100 11.103 94.572 1.00 13.55 H new ATOM 0 HG23 VAL A 98 26.567 10.664 93.147 1.00 13.55 H new ATOM 817 N VAL A 99 31.172 8.727 94.186 1.00 11.43 N ATOM 818 CA VAL A 99 32.114 7.606 94.340 1.00 11.75 C ATOM 819 C VAL A 99 31.607 6.650 95.422 1.00 11.78 C ATOM 820 O VAL A 99 31.283 7.079 96.557 1.00 12.39 O ATOM 821 CB VAL A 99 33.548 8.121 94.672 1.00 13.09 C ATOM 822 CG1 VAL A 99 34.490 6.989 94.944 1.00 13.16 C ATOM 823 CG2 VAL A 99 34.076 8.966 93.522 1.00 12.09 C ATOM 0 H VAL A 99 31.353 9.430 94.647 1.00 11.43 H new ATOM 0 HA VAL A 99 32.167 7.125 93.500 1.00 11.75 H new ATOM 0 HB VAL A 99 33.490 8.662 95.475 1.00 13.09 H new ATOM 0 HG11 VAL A 99 35.371 7.342 95.146 1.00 13.16 H new ATOM 0 HG12 VAL A 99 34.167 6.474 95.700 1.00 13.16 H new ATOM 0 HG13 VAL A 99 34.543 6.417 94.162 1.00 13.16 H new ATOM 0 HG21 VAL A 99 34.968 9.283 93.736 1.00 12.09 H new ATOM 0 HG22 VAL A 99 34.109 8.430 92.714 1.00 12.09 H new ATOM 0 HG23 VAL A 99 33.489 9.725 93.382 1.00 12.09 H new ATOM 824 N LYS A 100 31.557 5.370 95.084 1.00 11.72 N ATOM 825 CA LYS A 100 31.045 4.335 95.988 1.00 12.45 C ATOM 826 C LYS A 100 31.736 4.410 97.350 1.00 12.85 C ATOM 827 O LYS A 100 32.965 4.456 97.455 1.00 13.55 O ATOM 828 CB LYS A 100 31.248 2.956 95.388 1.00 12.50 C ATOM 829 CG LYS A 100 30.429 2.696 94.146 1.00 11.31 C ATOM 830 CD LYS A 100 30.821 1.317 93.558 1.00 12.18 C ATOM 831 CE LYS A 100 29.972 0.917 92.356 1.00 11.17 C ATOM 832 NZ LYS A 100 30.567 -0.185 91.524 1.00 9.98 N ATOM 0 H LYS A 100 31.819 5.070 94.322 1.00 11.72 H new ATOM 0 HA LYS A 100 30.096 4.491 96.111 1.00 12.45 H new ATOM 0 HB2 LYS A 100 32.187 2.842 95.174 1.00 12.50 H new ATOM 0 HB3 LYS A 100 31.026 2.288 96.055 1.00 12.50 H new ATOM 0 HG2 LYS A 100 29.483 2.712 94.360 1.00 11.31 H new ATOM 0 HG3 LYS A 100 30.583 3.395 93.491 1.00 11.31 H new ATOM 0 HD2 LYS A 100 31.755 1.337 93.296 1.00 12.18 H new ATOM 0 HD3 LYS A 100 30.734 0.641 94.248 1.00 12.18 H new ATOM 0 HE2 LYS A 100 29.098 0.637 92.669 1.00 11.17 H new ATOM 0 HE3 LYS A 100 29.836 1.696 91.794 1.00 11.17 H new ATOM 0 HZ1 LYS A 100 29.922 -0.594 91.068 1.00 9.98 H new ATOM 0 HZ2 LYS A 100 31.160 0.159 90.956 1.00 9.98 H new ATOM 0 HZ3 LYS A 100 30.972 -0.773 92.055 1.00 9.98 H new ATOM 833 N SER A 101 30.907 4.408 98.378 1.00 14.64 N ATOM 834 CA SER A 101 31.380 4.386 99.746 1.00 15.93 C ATOM 835 C SER A 101 30.545 3.399 100.544 1.00 17.01 C ATOM 836 O SER A 101 29.381 3.165 100.235 1.00 16.22 O ATOM 837 CB SER A 101 31.246 5.762 100.364 1.00 16.68 C ATOM 838 OG SER A 101 31.267 5.629 101.778 1.00 20.32 O ATOM 0 H SER A 101 30.051 4.419 98.301 1.00 14.64 H new ATOM 0 HA SER A 101 32.313 4.121 99.757 1.00 15.93 H new ATOM 0 HB2 SER A 101 31.971 6.335 100.069 1.00 16.68 H new ATOM 0 HB3 SER A 101 30.419 6.180 100.078 1.00 16.68 H new ATOM 0 HG SER A 101 31.342 6.388 102.130 1.00 20.32 H new ATOM 839 N PHE A 102 31.137 2.853 101.610 1.00 17.85 N ATOM 840 CA PHE A 102 30.435 1.909 102.469 1.00 19.80 C ATOM 841 C PHE A 102 29.424 2.605 103.383 1.00 20.05 C ATOM 842 O PHE A 102 28.525 1.964 103.934 1.00 21.54 O ATOM 843 CB PHE A 102 31.454 1.076 103.255 1.00 19.37 C ATOM 844 CG PHE A 102 32.043 -0.036 102.439 1.00 19.93 C ATOM 845 CD1 PHE A 102 33.162 0.183 101.646 1.00 20.19 C ATOM 846 CD2 PHE A 102 31.457 -1.287 102.428 1.00 23.01 C ATOM 847 CE1 PHE A 102 33.690 -0.836 100.857 1.00 19.27 C ATOM 848 CE2 PHE A 102 31.993 -2.320 101.648 1.00 24.25 C ATOM 849 CZ PHE A 102 33.112 -2.081 100.863 1.00 20.25 C ATOM 0 H PHE A 102 31.946 3.019 101.849 1.00 17.85 H new ATOM 0 HA PHE A 102 29.914 1.310 101.912 1.00 19.80 H new ATOM 0 HB2 PHE A 102 32.166 1.655 103.569 1.00 19.37 H new ATOM 0 HB3 PHE A 102 31.025 0.703 104.041 1.00 19.37 H new ATOM 0 HD1 PHE A 102 33.564 1.022 101.642 1.00 20.19 H new ATOM 0 HD2 PHE A 102 30.699 -1.445 102.943 1.00 23.01 H new ATOM 0 HE1 PHE A 102 34.435 -0.673 100.325 1.00 19.27 H new ATOM 0 HE2 PHE A 102 31.600 -3.163 101.656 1.00 24.25 H new ATOM 0 HZ PHE A 102 33.470 -2.763 100.342 1.00 20.25 H new ATOM 850 N ASN A 103 29.571 3.919 103.495 1.00 20.54 N ATOM 851 CA ASN A 103 28.569 4.782 104.111 1.00 21.46 C ATOM 852 C ASN A 103 27.682 5.369 103.010 1.00 21.30 C ATOM 853 O ASN A 103 28.133 6.203 102.226 1.00 20.76 O ATOM 854 CB ASN A 103 29.229 5.904 104.901 1.00 21.66 C ATOM 855 CG ASN A 103 28.209 6.807 105.608 1.00 24.14 C ATOM 856 OD1 ASN A 103 27.001 6.734 105.339 1.00 24.11 O ATOM 857 ND2 ASN A 103 28.695 7.675 106.498 1.00 24.88 N ATOM 0 H ASN A 103 30.265 4.341 103.212 1.00 20.54 H new ATOM 0 HA ASN A 103 28.033 4.258 104.727 1.00 21.46 H new ATOM 0 HB2 ASN A 103 29.829 5.521 105.560 1.00 21.66 H new ATOM 0 HB3 ASN A 103 29.771 6.441 104.302 1.00 21.66 H new ATOM 0 HD21 ASN A 103 28.164 8.211 106.910 1.00 24.88 H new ATOM 0 HD22 ASN A 103 29.539 7.698 106.660 1.00 24.88 H new ATOM 858 N PHE A 104 26.432 4.935 102.982 1.00 21.05 N ATOM 859 CA PHE A 104 25.540 5.271 101.865 1.00 21.41 C ATOM 860 C PHE A 104 24.831 6.608 101.973 1.00 21.83 C ATOM 861 O PHE A 104 24.076 7.004 101.064 1.00 20.94 O ATOM 862 CB PHE A 104 24.608 4.105 101.603 1.00 21.92 C ATOM 863 CG PHE A 104 25.327 2.942 101.025 1.00 22.08 C ATOM 864 CD1 PHE A 104 25.602 2.906 99.667 1.00 20.89 C ATOM 865 CD2 PHE A 104 25.833 1.936 101.851 1.00 22.48 C ATOM 866 CE1 PHE A 104 26.314 1.859 99.120 1.00 22.13 C ATOM 867 CE2 PHE A 104 26.563 0.884 101.316 1.00 23.81 C ATOM 868 CZ PHE A 104 26.796 0.837 99.943 1.00 23.03 C ATOM 0 H PHE A 104 26.075 4.447 103.593 1.00 21.05 H new ATOM 0 HA PHE A 104 26.101 5.409 101.086 1.00 21.41 H new ATOM 0 HB2 PHE A 104 24.180 3.841 102.432 1.00 21.92 H new ATOM 0 HB3 PHE A 104 23.904 4.384 100.997 1.00 21.92 H new ATOM 0 HD1 PHE A 104 25.303 3.595 99.119 1.00 20.89 H new ATOM 0 HD2 PHE A 104 25.679 1.971 102.768 1.00 22.48 H new ATOM 0 HE1 PHE A 104 26.473 1.833 98.204 1.00 22.13 H new ATOM 0 HE2 PHE A 104 26.895 0.215 101.870 1.00 23.81 H new ATOM 0 HZ PHE A 104 27.271 0.127 99.575 1.00 23.03 H new ATOM 869 N ASP A 105 25.092 7.323 103.065 1.00 21.94 N ATOM 870 CA ASP A 105 24.394 8.586 103.320 1.00 22.34 C ATOM 871 C ASP A 105 24.483 9.570 102.149 1.00 21.86 C ATOM 872 O ASP A 105 23.461 10.123 101.722 1.00 21.91 O ATOM 873 CB ASP A 105 24.845 9.196 104.655 1.00 23.17 C ATOM 874 CG ASP A 105 24.384 8.373 105.852 1.00 24.83 C ATOM 875 OD1 ASP A 105 23.574 7.427 105.673 1.00 29.33 O ATOM 876 OD2 ASP A 105 24.835 8.658 106.985 1.00 26.58 O ATOM 0 H ASP A 105 25.664 7.099 103.667 1.00 21.94 H new ATOM 0 HA ASP A 105 23.449 8.383 103.399 1.00 22.34 H new ATOM 0 HB2 ASP A 105 25.812 9.265 104.666 1.00 23.17 H new ATOM 0 HB3 ASP A 105 24.495 10.098 104.731 1.00 23.17 H new ATOM 877 N GLU A 106 25.683 9.763 101.600 1.00 21.14 N ATOM 878 CA GLU A 106 25.861 10.672 100.471 1.00 19.43 C ATOM 879 C GLU A 106 25.080 10.276 99.198 1.00 18.60 C ATOM 880 O GLU A 106 24.421 11.127 98.564 1.00 18.96 O ATOM 881 CB GLU A 106 27.322 10.814 100.107 1.00 20.26 C ATOM 882 CG GLU A 106 27.516 11.622 98.868 1.00 20.06 C ATOM 883 CD GLU A 106 28.948 11.626 98.404 1.00 24.60 C ATOM 884 OE1 GLU A 106 29.804 11.011 99.100 1.00 27.34 O ATOM 885 OE2 GLU A 106 29.210 12.262 97.360 1.00 23.69 O ATOM 0 H GLU A 106 26.404 9.378 101.867 1.00 21.14 H new ATOM 0 HA GLU A 106 25.497 11.515 100.784 1.00 19.43 H new ATOM 0 HB2 GLU A 106 27.798 11.232 100.842 1.00 20.26 H new ATOM 0 HB3 GLU A 106 27.710 9.934 99.982 1.00 20.26 H new ATOM 0 HG2 GLU A 106 26.951 11.269 98.163 1.00 20.06 H new ATOM 0 HG3 GLU A 106 27.229 12.534 99.031 1.00 20.06 H new ATOM 886 N LEU A 107 25.185 9.008 98.801 1.00 17.46 N ATOM 887 CA LEU A 107 24.379 8.515 97.682 1.00 16.87 C ATOM 888 C LEU A 107 22.891 8.755 97.947 1.00 17.77 C ATOM 889 O LEU A 107 22.163 9.228 97.074 1.00 17.81 O ATOM 890 CB LEU A 107 24.633 7.015 97.442 1.00 15.85 C ATOM 891 CG LEU A 107 23.676 6.352 96.445 1.00 14.13 C ATOM 892 CD1 LEU A 107 23.855 6.958 95.029 1.00 13.52 C ATOM 893 CD2 LEU A 107 23.895 4.872 96.444 1.00 12.79 C ATOM 0 H LEU A 107 25.707 8.425 99.158 1.00 17.46 H new ATOM 0 HA LEU A 107 24.641 9.004 96.886 1.00 16.87 H new ATOM 0 HB2 LEU A 107 25.542 6.901 97.123 1.00 15.85 H new ATOM 0 HB3 LEU A 107 24.569 6.549 98.291 1.00 15.85 H new ATOM 0 HG LEU A 107 22.761 6.523 96.717 1.00 14.13 H new ATOM 0 HD11 LEU A 107 23.242 6.527 94.413 1.00 13.52 H new ATOM 0 HD12 LEU A 107 23.668 7.909 95.058 1.00 13.52 H new ATOM 0 HD13 LEU A 107 24.767 6.817 94.729 1.00 13.52 H new ATOM 0 HD21 LEU A 107 23.288 4.455 95.812 1.00 12.79 H new ATOM 0 HD22 LEU A 107 24.810 4.680 96.187 1.00 12.79 H new ATOM 0 HD23 LEU A 107 23.729 4.519 97.332 1.00 12.79 H new ATOM 894 N LYS A 108 22.438 8.429 99.153 1.00 18.17 N ATOM 895 CA LYS A 108 21.031 8.618 99.482 1.00 18.89 C ATOM 896 C LYS A 108 20.613 10.086 99.413 1.00 19.61 C ATOM 897 O LYS A 108 19.497 10.387 98.989 1.00 18.92 O ATOM 898 CB LYS A 108 20.706 8.002 100.844 1.00 19.07 C ATOM 899 CG LYS A 108 20.745 6.477 100.807 1.00 19.81 C ATOM 900 CD LYS A 108 20.877 5.890 102.207 1.00 22.63 C ATOM 901 CE LYS A 108 20.671 4.390 102.184 1.00 25.05 C ATOM 902 NZ LYS A 108 20.583 3.873 103.591 1.00 26.16 N ATOM 0 H LYS A 108 22.920 8.102 99.786 1.00 18.17 H new ATOM 0 HA LYS A 108 20.510 8.153 98.809 1.00 18.89 H new ATOM 0 HB2 LYS A 108 21.340 8.325 101.503 1.00 19.07 H new ATOM 0 HB3 LYS A 108 19.826 8.295 101.129 1.00 19.07 H new ATOM 0 HG2 LYS A 108 19.937 6.141 100.389 1.00 19.81 H new ATOM 0 HG3 LYS A 108 21.491 6.184 100.260 1.00 19.81 H new ATOM 0 HD2 LYS A 108 21.754 6.095 102.566 1.00 22.63 H new ATOM 0 HD3 LYS A 108 20.226 6.301 102.797 1.00 22.63 H new ATOM 0 HE2 LYS A 108 19.860 4.173 101.698 1.00 25.05 H new ATOM 0 HE3 LYS A 108 21.405 3.960 101.717 1.00 25.05 H new ATOM 0 HZ1 LYS A 108 20.837 3.020 103.611 1.00 26.16 H new ATOM 0 HZ2 LYS A 108 21.116 4.353 104.118 1.00 26.16 H new ATOM 0 HZ3 LYS A 108 19.744 3.939 103.880 1.00 26.16 H new ATOM 903 N GLU A 109 21.494 10.999 99.819 1.00 20.60 N ATOM 904 CA GLU A 109 21.196 12.441 99.753 1.00 23.17 C ATOM 905 C GLU A 109 20.992 12.896 98.318 1.00 22.32 C ATOM 906 O GLU A 109 20.068 13.657 98.019 1.00 23.47 O ATOM 907 CB GLU A 109 22.328 13.277 100.345 1.00 23.65 C ATOM 908 CG GLU A 109 22.576 13.128 101.814 1.00 26.83 C ATOM 909 CD GLU A 109 23.898 13.781 102.230 1.00 27.28 C ATOM 910 OE1 GLU A 109 24.657 14.271 101.341 1.00 30.86 O ATOM 911 OE2 GLU A 109 24.185 13.795 103.452 1.00 33.31 O ATOM 0 H GLU A 109 22.271 10.810 100.136 1.00 20.60 H new ATOM 0 HA GLU A 109 20.384 12.573 100.267 1.00 23.17 H new ATOM 0 HB2 GLU A 109 23.147 13.054 99.875 1.00 23.65 H new ATOM 0 HB3 GLU A 109 22.142 14.211 100.162 1.00 23.65 H new ATOM 0 HG2 GLU A 109 21.845 13.530 102.309 1.00 26.83 H new ATOM 0 HG3 GLU A 109 22.592 12.186 102.047 1.00 26.83 H new ATOM 912 N LYS A 110 21.885 12.447 97.442 1.00 21.25 N ATOM 913 CA LYS A 110 21.873 12.826 96.036 1.00 21.00 C ATOM 914 C LYS A 110 20.667 12.231 95.329 1.00 20.10 C ATOM 915 O LYS A 110 20.048 12.895 94.485 1.00 21.02 O ATOM 916 CB LYS A 110 23.183 12.406 95.363 1.00 22.08 C ATOM 917 CG LYS A 110 24.376 13.199 95.864 1.00 22.65 C ATOM 918 CD LYS A 110 24.492 14.550 95.160 1.00 26.59 C ATOM 919 CE LYS A 110 25.807 15.266 95.482 1.00 27.77 C ATOM 920 NZ LYS A 110 26.967 14.355 95.703 1.00 31.81 N ATOM 0 H LYS A 110 22.522 11.908 97.651 1.00 21.25 H new ATOM 0 HA LYS A 110 21.800 13.791 95.973 1.00 21.00 H new ATOM 0 HB2 LYS A 110 23.336 11.462 95.523 1.00 22.08 H new ATOM 0 HB3 LYS A 110 23.102 12.522 94.403 1.00 22.08 H new ATOM 0 HG2 LYS A 110 24.294 13.338 96.820 1.00 22.65 H new ATOM 0 HG3 LYS A 110 25.188 12.688 95.720 1.00 22.65 H new ATOM 0 HD2 LYS A 110 24.425 14.419 94.201 1.00 26.59 H new ATOM 0 HD3 LYS A 110 23.747 15.113 95.422 1.00 26.59 H new ATOM 0 HE2 LYS A 110 26.019 15.871 94.755 1.00 27.77 H new ATOM 0 HE3 LYS A 110 25.681 15.809 96.276 1.00 27.77 H new ATOM 0 HZ1 LYS A 110 27.725 14.805 95.582 1.00 31.81 H new ATOM 0 HZ2 LYS A 110 26.941 14.037 96.534 1.00 31.81 H new ATOM 0 HZ3 LYS A 110 26.928 13.679 95.125 1.00 31.81 H new ATOM 921 N VAL A 111 20.320 10.995 95.687 1.00 19.33 N ATOM 922 CA VAL A 111 19.090 10.365 95.189 1.00 18.67 C ATOM 923 C VAL A 111 17.861 11.205 95.590 1.00 20.35 C ATOM 924 O VAL A 111 17.095 11.638 94.726 1.00 19.78 O ATOM 925 CB VAL A 111 18.956 8.904 95.682 1.00 18.81 C ATOM 926 CG1 VAL A 111 17.584 8.346 95.362 1.00 19.23 C ATOM 927 CG2 VAL A 111 20.026 8.028 95.049 1.00 15.34 C ATOM 0 H VAL A 111 20.782 10.501 96.218 1.00 19.33 H new ATOM 0 HA VAL A 111 19.139 10.334 94.221 1.00 18.67 H new ATOM 0 HB VAL A 111 19.073 8.904 96.645 1.00 18.81 H new ATOM 0 HG11 VAL A 111 17.524 7.431 95.680 1.00 19.23 H new ATOM 0 HG12 VAL A 111 16.906 8.885 95.798 1.00 19.23 H new ATOM 0 HG13 VAL A 111 17.443 8.364 94.403 1.00 19.23 H new ATOM 0 HG21 VAL A 111 19.929 7.117 95.367 1.00 15.34 H new ATOM 0 HG22 VAL A 111 19.929 8.045 94.084 1.00 15.34 H new ATOM 0 HG23 VAL A 111 20.904 8.363 95.291 1.00 15.34 H new ATOM 928 N LYS A 112 17.696 11.444 96.890 1.00 21.48 N ATOM 929 CA LYS A 112 16.577 12.263 97.405 1.00 23.30 C ATOM 930 C LYS A 112 16.491 13.623 96.712 1.00 23.38 C ATOM 931 O LYS A 112 15.394 14.109 96.404 1.00 22.76 O ATOM 932 CB LYS A 112 16.725 12.486 98.919 1.00 24.03 C ATOM 933 CG LYS A 112 15.403 12.631 99.653 1.00 27.60 C ATOM 934 CD LYS A 112 15.022 11.304 100.319 1.00 33.42 C ATOM 935 CE LYS A 112 13.509 11.087 100.370 1.00 36.83 C ATOM 936 NZ LYS A 112 12.967 10.555 99.069 1.00 39.58 N ATOM 0 H LYS A 112 18.221 11.142 97.501 1.00 21.48 H new ATOM 0 HA LYS A 112 15.762 11.771 97.218 1.00 23.30 H new ATOM 0 HB2 LYS A 112 17.216 11.741 99.300 1.00 24.03 H new ATOM 0 HB3 LYS A 112 17.257 13.283 99.069 1.00 24.03 H new ATOM 0 HG2 LYS A 112 15.472 13.329 100.323 1.00 27.60 H new ATOM 0 HG3 LYS A 112 14.708 12.901 99.032 1.00 27.60 H new ATOM 0 HD2 LYS A 112 15.434 10.572 99.834 1.00 33.42 H new ATOM 0 HD3 LYS A 112 15.379 11.284 101.221 1.00 33.42 H new ATOM 0 HE2 LYS A 112 13.297 10.467 101.085 1.00 36.83 H new ATOM 0 HE3 LYS A 112 13.070 11.926 100.583 1.00 36.83 H new ATOM 0 HZ1 LYS A 112 12.211 10.111 99.222 1.00 39.58 H new ATOM 0 HZ2 LYS A 112 12.806 11.233 98.515 1.00 39.58 H new ATOM 0 HZ3 LYS A 112 13.563 10.006 98.701 1.00 39.58 H new ATOM 937 N LYS A 113 17.648 14.233 96.461 1.00 23.81 N ATOM 938 CA LYS A 113 17.742 15.507 95.739 1.00 25.55 C ATOM 939 C LYS A 113 17.145 15.440 94.327 1.00 25.53 C ATOM 940 O LYS A 113 16.329 16.289 93.944 1.00 25.75 O ATOM 941 CB LYS A 113 19.209 15.951 95.672 1.00 25.29 C ATOM 942 CG LYS A 113 19.511 17.065 94.673 1.00 26.76 C ATOM 943 CD LYS A 113 21.010 17.333 94.614 1.00 27.79 C ATOM 944 CE LYS A 113 21.313 18.710 94.052 1.00 30.71 C ATOM 945 NZ LYS A 113 22.694 19.127 94.423 1.00 33.73 N ATOM 0 H LYS A 113 18.409 13.918 96.707 1.00 23.81 H new ATOM 0 HA LYS A 113 17.217 16.157 96.232 1.00 25.55 H new ATOM 0 HB2 LYS A 113 19.482 16.246 96.555 1.00 25.29 H new ATOM 0 HB3 LYS A 113 19.754 15.181 95.449 1.00 25.29 H new ATOM 0 HG2 LYS A 113 19.186 16.816 93.794 1.00 26.76 H new ATOM 0 HG3 LYS A 113 19.042 17.874 94.930 1.00 26.76 H new ATOM 0 HD2 LYS A 113 21.388 17.256 95.504 1.00 27.79 H new ATOM 0 HD3 LYS A 113 21.438 16.658 94.065 1.00 27.79 H new ATOM 0 HE2 LYS A 113 21.220 18.700 93.087 1.00 30.71 H new ATOM 0 HE3 LYS A 113 20.672 19.353 94.392 1.00 30.71 H new ATOM 0 HZ1 LYS A 113 22.860 19.935 94.089 1.00 33.73 H new ATOM 0 HZ2 LYS A 113 22.769 19.152 95.310 1.00 33.73 H new ATOM 0 HZ3 LYS A 113 23.279 18.543 94.093 1.00 33.73 H new ATOM 946 N LEU A 114 17.544 14.436 93.556 1.00 25.91 N ATOM 947 CA LEU A 114 17.107 14.320 92.164 1.00 26.65 C ATOM 948 C LEU A 114 15.654 13.908 92.041 1.00 27.69 C ATOM 949 O LEU A 114 14.986 14.231 91.049 1.00 27.75 O ATOM 950 CB LEU A 114 17.991 13.333 91.391 1.00 26.04 C ATOM 951 CG LEU A 114 19.428 13.768 91.119 1.00 24.81 C ATOM 952 CD1 LEU A 114 20.093 12.707 90.258 1.00 21.72 C ATOM 953 CD2 LEU A 114 19.462 15.132 90.436 1.00 24.62 C ATOM 0 H LEU A 114 18.070 13.808 93.818 1.00 25.91 H new ATOM 0 HA LEU A 114 17.196 15.205 91.777 1.00 26.65 H new ATOM 0 HB2 LEU A 114 18.016 12.498 91.884 1.00 26.04 H new ATOM 0 HB3 LEU A 114 17.565 13.147 90.540 1.00 26.04 H new ATOM 0 HG LEU A 114 19.910 13.857 91.956 1.00 24.81 H new ATOM 0 HD11 LEU A 114 21.009 12.967 90.074 1.00 21.72 H new ATOM 0 HD12 LEU A 114 20.086 11.858 90.727 1.00 21.72 H new ATOM 0 HD13 LEU A 114 19.609 12.618 89.422 1.00 21.72 H new ATOM 0 HD21 LEU A 114 20.383 15.389 90.272 1.00 24.62 H new ATOM 0 HD22 LEU A 114 18.985 15.084 89.592 1.00 24.62 H new ATOM 0 HD23 LEU A 114 19.039 15.791 91.008 1.00 24.62 H new ATOM 954 N LEU A 115 15.173 13.181 93.044 1.00 28.88 N ATOM 955 CA LEU A 115 13.797 12.708 93.059 1.00 30.35 C ATOM 956 C LEU A 115 12.842 13.742 93.673 1.00 31.99 C ATOM 957 O LEU A 115 11.645 13.480 93.813 1.00 33.03 O ATOM 958 CB LEU A 115 13.686 11.358 93.773 1.00 29.52 C ATOM 959 CG LEU A 115 14.362 10.135 93.151 1.00 29.58 C ATOM 960 CD1 LEU A 115 14.240 8.968 94.094 1.00 30.21 C ATOM 961 CD2 LEU A 115 13.784 9.767 91.796 1.00 29.36 C ATOM 0 H LEU A 115 15.634 12.950 93.732 1.00 28.88 H new ATOM 0 HA LEU A 115 13.526 12.582 92.136 1.00 30.35 H new ATOM 0 HB2 LEU A 115 14.045 11.469 94.667 1.00 29.52 H new ATOM 0 HB3 LEU A 115 12.743 11.154 93.870 1.00 29.52 H new ATOM 0 HG LEU A 115 15.294 10.360 93.006 1.00 29.58 H new ATOM 0 HD11 LEU A 115 14.668 8.190 93.703 1.00 30.21 H new ATOM 0 HD12 LEU A 115 14.671 9.185 94.935 1.00 30.21 H new ATOM 0 HD13 LEU A 115 13.302 8.776 94.252 1.00 30.21 H new ATOM 0 HD21 LEU A 115 14.246 8.989 91.447 1.00 29.36 H new ATOM 0 HD22 LEU A 115 12.840 9.567 91.890 1.00 29.36 H new ATOM 0 HD23 LEU A 115 13.897 10.510 91.183 1.00 29.36 H new ATOM 962 N SER A 116 13.378 14.906 94.034 1.00 33.60 N ATOM 963 CA SER A 116 12.557 16.051 94.426 1.00 35.20 C ATOM 964 C SER A 116 11.845 16.582 93.185 1.00 35.70 C ATOM 965 O SER A 116 11.151 17.600 93.207 1.00 36.27 O ATOM 966 CB SER A 116 13.418 17.149 95.057 1.00 35.28 C ATOM 967 OG SER A 116 13.835 16.787 96.363 1.00 36.20 O ATOM 968 OXT SER A 116 11.951 15.986 92.109 1.00 36.48 O ATOM 0 H SER A 116 14.225 15.054 94.059 1.00 33.60 H new ATOM 0 HA SER A 116 11.906 15.772 95.089 1.00 35.20 H new ATOM 0 HB2 SER A 116 14.195 17.314 94.501 1.00 35.28 H new ATOM 0 HB3 SER A 116 12.915 17.977 95.093 1.00 35.28 H new ATOM 0 HG SER A 116 14.263 16.065 96.331 1.00 36.20 H new TER 969 SER A 116 HETATM 970 MG MG A 201 31.749 -2.055 87.399 1.00 12.20 MG HETATM 971 BE BEF A 202 32.057 0.884 88.451 1.00 14.68 BE HETATM 972 F1 BEF A 202 32.760 2.152 87.578 1.00 10.79 F HETATM 973 F2 BEF A 202 32.552 1.053 90.062 1.00 10.79 F HETATM 974 F3 BEF A 202 32.754 -0.561 87.916 1.00 12.33 F HETATM 975 O1 PG4 A 203 35.390 1.702 77.825 1.00 30.92 O HETATM 976 C1 PG4 A 203 34.262 0.810 77.755 1.00 33.23 C HETATM 977 C2 PG4 A 203 34.606 -0.569 78.309 1.00 33.22 C HETATM 978 O2 PG4 A 203 33.751 -0.969 79.405 1.00 34.40 O HETATM 979 C3 PG4 A 203 33.754 -0.145 80.602 1.00 34.86 C HETATM 980 C4 PG4 A 203 35.097 0.113 81.302 1.00 38.36 C HETATM 981 O3 PG4 A 203 35.980 -1.007 81.301 1.00 41.09 O HETATM 982 C5 PG4 A 203 36.277 -1.503 82.607 1.00 42.79 C HETATM 983 C6 PG4 A 203 36.007 -3.007 82.667 1.00 43.95 C HETATM 984 O4 PG4 A 203 35.846 -3.452 84.017 1.00 45.82 O HETATM 985 C7 PG4 A 203 34.781 -4.401 84.119 1.00 45.25 C HETATM 986 C8 PG4 A 203 35.220 -5.572 84.994 1.00 46.69 C HETATM 987 O5 PG4 A 203 36.612 -5.854 84.783 1.00 47.66 O HETATM 0 HO5 PG4 A 203 36.978 -5.197 84.409 1.00 47.66 H new HETATM 0 HO1 PG4 A 203 35.174 2.452 77.513 1.00 30.92 H new HETATM 0 H82 PG4 A 203 35.063 -5.363 85.928 1.00 46.69 H new HETATM 0 H81 PG4 A 203 34.689 -6.357 84.786 1.00 46.69 H new HETATM 0 H72 PG4 A 203 33.995 -3.979 84.499 1.00 45.25 H new HETATM 0 H71 PG4 A 203 34.534 -4.720 83.237 1.00 45.25 H new HETATM 0 H62 PG4 A 203 35.208 -3.215 82.158 1.00 43.95 H new HETATM 0 H61 PG4 A 203 36.741 -3.486 82.251 1.00 43.95 H new HETATM 0 H52 PG4 A 203 37.205 -1.324 82.826 1.00 42.79 H new HETATM 0 H51 PG4 A 203 35.736 -1.043 83.267 1.00 42.79 H new HETATM 0 H42 PG4 A 203 35.538 0.860 80.869 1.00 38.36 H new HETATM 0 H41 PG4 A 203 34.927 0.377 82.220 1.00 38.36 H new HETATM 0 H32 PG4 A 203 33.370 0.715 80.370 1.00 34.86 H new HETATM 0 H31 PG4 A 203 33.158 -0.557 81.247 1.00 34.86 H new HETATM 0 H22 PG4 A 203 34.538 -1.224 77.597 1.00 33.22 H new HETATM 0 H21 PG4 A 203 35.529 -0.571 78.608 1.00 33.22 H new HETATM 0 H12 PG4 A 203 33.520 1.185 78.255 1.00 33.23 H new HETATM 0 H11 PG4 A 203 33.970 0.727 76.834 1.00 33.23 H new HETATM 988 O1 PG4 A 204 28.607 20.919 76.717 1.00 39.57 O HETATM 989 C1 PG4 A 204 28.691 20.153 75.511 1.00 38.22 C HETATM 990 C2 PG4 A 204 29.921 19.256 75.591 1.00 36.92 C HETATM 991 O2 PG4 A 204 29.531 17.966 76.055 1.00 34.88 O HETATM 992 C3 PG4 A 204 30.557 16.998 75.837 1.00 33.16 C HETATM 993 C4 PG4 A 204 30.178 15.734 76.588 1.00 31.93 C HETATM 994 O3 PG4 A 204 28.905 15.299 76.126 1.00 29.60 O HETATM 995 C5 PG4 A 204 28.462 14.160 76.849 1.00 29.61 C HETATM 996 C6 PG4 A 204 27.264 13.581 76.126 1.00 28.16 C HETATM 997 O4 PG4 A 204 26.196 14.485 76.341 1.00 28.04 O HETATM 998 C7 PG4 A 204 24.989 14.046 75.723 1.00 29.03 C HETATM 999 C8 PG4 A 204 24.070 15.258 75.586 1.00 30.80 C HETATM 1000 O5 PG4 A 204 24.591 16.165 74.608 1.00 33.31 O HETATM 0 HO5 PG4 A 204 25.296 16.517 74.900 1.00 33.31 H new HETATM 0 HO1 PG4 A 204 27.933 21.419 76.685 1.00 39.57 H new HETATM 0 H82 PG4 A 204 23.180 14.970 75.329 1.00 30.80 H new HETATM 0 H81 PG4 A 204 23.986 15.707 76.442 1.00 30.80 H new HETATM 0 H72 PG4 A 204 25.173 13.659 74.853 1.00 29.03 H new HETATM 0 H71 PG4 A 204 24.565 13.356 76.257 1.00 29.03 H new HETATM 0 H62 PG4 A 204 27.447 13.480 75.179 1.00 28.16 H new HETATM 0 H61 PG4 A 204 27.046 12.700 76.468 1.00 28.16 H new HETATM 0 H52 PG4 A 204 29.171 13.501 76.911 1.00 29.61 H new HETATM 0 H51 PG4 A 204 28.224 14.406 77.756 1.00 29.61 H new HETATM 0 H42 PG4 A 204 30.843 15.043 76.443 1.00 31.93 H new HETATM 0 H41 PG4 A 204 30.150 15.905 77.542 1.00 31.93 H new HETATM 0 H32 PG4 A 204 30.653 16.813 74.890 1.00 33.16 H new HETATM 0 H31 PG4 A 204 31.412 17.334 76.149 1.00 33.16 H new HETATM 0 H22 PG4 A 204 30.340 19.185 74.719 1.00 36.92 H new HETATM 0 H21 PG4 A 204 30.578 19.642 76.191 1.00 36.92 H new HETATM 0 H12 PG4 A 204 27.890 19.618 75.396 1.00 38.22 H new HETATM 0 H11 PG4 A 204 28.752 20.741 74.742 1.00 38.22 H new HETATM 1001 O HOH A 117 31.229 -2.412 89.354 1.00 12.50 O HETATM 1002 O HOH A 118 27.041 1.453 90.814 1.00 11.49 O HETATM 1003 O HOH A 119 28.065 4.691 98.163 1.00 11.81 O HETATM 1004 O HOH A 120 35.166 3.311 95.927 1.00 15.87 O HETATM 1005 O HOH A 121 32.201 -2.090 92.859 1.00 15.70 O HETATM 1006 O HOH A 122 28.252 10.614 78.181 1.00 14.72 O HETATM 1007 O HOH A 123 24.401 1.353 90.067 1.00 16.09 O HETATM 1008 O HOH A 124 27.532 7.133 99.498 1.00 17.28 O HETATM 1009 O HOH A 125 7.261 6.567 90.042 1.00 17.57 O HETATM 1010 O HOH A 126 33.464 -3.312 87.536 1.00 16.90 O HETATM 1011 O HOH A 127 28.126 -2.786 79.509 1.00 16.47 O HETATM 1012 O HOH A 128 31.443 11.097 95.825 1.00 17.08 O HETATM 1013 O HOH A 129 24.492 -6.957 100.659 1.00 19.07 O HETATM 1014 O HOH A 130 34.371 -1.318 90.281 1.00 17.35 O HETATM 1015 O HOH A 131 26.898 8.055 74.453 1.00 19.26 O HETATM 1016 O HOH A 132 29.694 8.462 98.469 1.00 18.73 O HETATM 1017 O HOH A 133 29.840 -9.193 92.783 1.00 19.11 O HETATM 1018 O HOH A 134 26.609 -3.948 77.301 1.00 20.42 O HETATM 1019 O HOH A 135 13.194 7.845 75.342 1.00 19.72 O HETATM 1020 O HOH A 136 15.687 13.779 73.353 1.00 21.73 O HETATM 1021 O HOH A 137 14.927 9.445 84.679 1.00 20.62 O HETATM 1022 O HOH A 138 27.928 -3.445 75.011 1.00 22.85 O HETATM 1023 O HOH A 139 29.800 10.774 75.874 1.00 20.95 O HETATM 1024 O HOH A 140 33.762 3.467 102.416 1.00 23.94 O HETATM 1025 O HOH A 141 12.740 5.050 81.919 1.00 23.46 O HETATM 1026 O HOH A 142 31.569 15.103 87.043 1.00 22.80 O HETATM 1027 O HOH A 143 28.840 1.751 70.649 1.00 22.30 O HETATM 1028 O HOH A 144 4.511 -0.256 94.424 1.00 24.40 O HETATM 1029 O HOH A 145 35.496 -1.647 92.736 1.00 25.60 O HETATM 1030 O HOH A 146 37.527 14.671 78.918 1.00 24.62 O HETATM 1031 O HOH A 147 26.036 17.452 84.493 1.00 23.59 O HETATM 1032 O HOH A 148 28.372 8.725 102.841 1.00 25.59 O HETATM 1033 O HOH A 149 18.082 16.015 84.712 1.00 24.57 O HETATM 1034 O HOH A 150 40.872 10.729 90.608 1.00 23.46 O HETATM 1035 O HOH A 151 4.369 5.498 79.537 1.00 25.77 O HETATM 1036 O HOH A 152 9.604 6.035 96.707 1.00 24.32 O HETATM 1037 O HOH A 153 12.384 11.771 87.214 1.00 24.82 O HETATM 1038 O HOH A 154 4.395 5.617 97.734 1.00 24.99 O HETATM 1039 O HOH A 155 12.206 -2.785 95.396 1.00 28.69 O HETATM 1040 O HOH A 156 28.135 15.606 91.139 1.00 27.48 O HETATM 1041 O HOH A 157 37.010 -2.953 89.696 1.00 26.23 O HETATM 1042 O HOH A 158 8.237 4.639 87.955 1.00 24.98 O HETATM 1043 O HOH A 159 36.058 -2.282 87.414 1.00 27.38 O HETATM 1044 O HOH A 160 17.434 8.495 99.395 1.00 28.67 O HETATM 1045 O HOH A 161 10.013 11.003 87.230 1.00 26.58 O HETATM 1046 O HOH A 162 33.152 8.630 98.485 1.00 27.32 O HETATM 1047 O HOH A 163 32.244 -7.801 85.506 1.00 27.80 O HETATM 1048 O HOH A 164 39.488 0.536 83.713 1.00 27.85 O HETATM 1049 O HOH A 165 35.759 2.922 81.534 1.00 27.74 O HETATM 1050 O HOH A 166 33.439 -0.307 75.185 1.00 33.85 O HETATM 1051 O HOH A 167 26.876 17.234 75.682 1.00 28.54 O HETATM 1052 O HOH A 168 19.688 15.814 75.522 1.00 28.22 O HETATM 1053 O HOH A 169 30.341 13.275 94.692 1.00 30.07 O HETATM 1054 O HOH A 170 24.997 -1.408 104.698 1.00 27.51 O HETATM 1055 O HOH A 171 25.255 19.082 91.715 1.00 30.67 O HETATM 1056 O HOH A 172 26.047 -10.117 86.663 1.00 30.13 O HETATM 1057 O HOH A 173 26.183 4.109 72.105 1.00 32.57 O HETATM 1058 O HOH A 174 35.807 -4.157 91.772 1.00 30.19 O HETATM 1059 O HOH A 175 33.231 -6.123 94.258 1.00 34.24 O HETATM 1060 O HOH A 176 31.504 8.102 102.837 1.00 36.04 O HETATM 1061 O HOH A 177 27.998 -7.839 83.079 1.00 31.47 O HETATM 1062 O HOH A 178 28.163 10.656 104.985 1.00 31.83 O HETATM 1063 O HOH A 179 21.711 17.879 89.967 1.00 33.48 O HETATM 1064 O HOH A 180 20.965 4.291 72.377 1.00 34.18 O HETATM 1065 O HOH A 181 15.991 -4.160 101.647 1.00 32.46 O HETATM 1066 O HOH A 182 35.740 8.200 98.490 1.00 33.45 O HETATM 1067 O HOH A 183 12.411 6.571 78.005 1.00 30.01 O HETATM 1068 O HOH A 184 34.598 4.836 80.054 1.00 42.34 O HETATM 1069 O HOH A 185 31.101 15.926 89.695 1.00 34.22 O HETATM 1070 O HOH A 186 35.846 -3.171 79.716 1.00 31.74 O HETATM 1071 O HOH A 187 9.562 0.206 84.059 1.00 30.71 O HETATM 1072 O HOH A 188 16.871 17.128 98.929 0.50 32.75 O HETATM 1073 O HOH A 189 26.871 -8.887 81.046 1.00 34.75 O HETATM 1074 O HOH A 190 12.057 3.378 104.745 1.00 32.63 O HETATM 1075 O HOH A 191 11.654 -1.804 81.306 1.00 40.13 O HETATM 1076 O HOH A 192 17.087 -7.333 71.575 1.00 36.65 O HETATM 1077 O HOH A 193 29.307 -5.945 74.100 1.00 36.22 O HETATM 1078 O HOH A 194 34.789 3.881 99.741 1.00 35.89 O HETATM 1079 O HOH A 195 16.893 9.008 102.005 1.00 40.35 O HETATM 1080 O HOH A 196 30.785 -11.554 92.028 1.00 39.76 O HETATM 1081 O HOH A 197 20.569 18.200 87.585 1.00 41.58 O HETATM 1082 O HOH A 198 29.477 16.070 93.386 1.00 40.51 O HETATM 1083 O HOH A 199 34.881 11.433 77.370 1.00 37.83 O HETATM 1084 O HOH A 200 21.429 0.368 105.842 1.00 41.19 O HETATM 1085 O HOH A 205 20.361 -7.954 86.927 1.00 38.03 O HETATM 1086 O HOH A 206 11.516 17.392 78.417 1.00 38.79 O HETATM 1087 O HOH A 207 24.138 16.960 98.412 1.00 40.95 O HETATM 1088 O HOH A 208 23.968 3.534 108.667 1.00 33.06 O HETATM 1089 O HOH A 209 6.533 1.179 79.206 1.00 38.91 O HETATM 1090 O HOH A 210 24.620 -11.646 95.406 1.00 40.50 O HETATM 1091 O HOH A 211 27.070 -13.534 93.439 1.00 39.40 O HETATM 1092 O HOH A 212 24.836 1.869 72.117 1.00 44.99 O HETATM 1093 O HOH A 213 21.184 10.444 103.929 1.00 38.13 O HETATM 1094 O HOH A 214 28.630 18.776 84.268 1.00 43.47 O HETATM 1095 O HOH A 215 29.134 -8.978 85.160 1.00 43.61 O HETATM 1096 O HOH A 216 17.804 -4.274 103.580 1.00 49.85 O HETATM 1097 O HOH A 217 29.433 -13.645 91.965 1.00 43.48 O HETATM 1098 O HOH A 218 18.852 -8.084 84.997 1.00 42.13 O HETATM 1099 O HOH A 219 18.668 18.128 79.836 1.00 38.34 O HETATM 1100 O HOH A 220 23.058 17.057 83.047 1.00 40.02 O HETATM 1101 O HOH A 221 18.803 -1.969 104.489 1.00 45.65 O HETATM 1102 O HOH A 222 26.044 18.312 89.490 1.00 40.85 O HETATM 1103 O HOH A 223 27.635 15.901 87.711 1.00 47.14 O HETATM 1104 O HOH A 224 29.021 14.303 86.297 1.00 33.98 O HETATM 1105 O HOH A 225 25.641 3.554 105.211 1.00 33.44 O HETATM 1106 O HOH A 226 23.582 2.442 105.747 1.00 44.68 O CONECT 1 4 CONECT 2 5 CONECT 3 6 CONECT 4 1 7 13 CONECT 5 2 8 14 CONECT 6 3 9 15 CONECT 7 4 10 25 CONECT 8 5 11 25 CONECT 9 6 12 25 CONECT 10 7 CONECT 11 8 CONECT 12 9 CONECT 13 4 16 CONECT 14 5 17 CONECT 15 6 18 CONECT 16 13 19 CONECT 17 14 20 CONECT 18 15 21 CONECT 19 16 22 CONECT 20 17 23 CONECT 21 18 24 CONECT 22 19 CONECT 23 20 CONECT 24 21 CONECT 25 7 8 9 CONECT 89 970 CONECT 446 971 CONECT 447 970 CONECT 458 465 CONECT 459 970 CONECT 465 458 466 CONECT 466 465 467 469 CONECT 467 466 468 473 CONECT 468 467 CONECT 469 466 470 CONECT 470 469 471 CONECT 471 470 472 CONECT 472 471 CONECT 473 467 CONECT 724 730 CONECT 730 724 731 CONECT 731 730 732 734 735 CONECT 732 731 733 742 CONECT 733 732 CONECT 734 731 736 CONECT 735 731 737 CONECT 736 734 738 CONECT 737 735 739 CONECT 738 736 740 CONECT 739 737 741 CONECT 740 738 CONECT 741 739 CONECT 742 732 CONECT 970 89 447 459 1001 CONECT 970 1010 CONECT 971 446 972 973 974 CONECT 972 971 CONECT 973 971 CONECT 974 971 CONECT 975 976 CONECT 976 975 977 CONECT 977 976 978 CONECT 978 977 979 CONECT 979 978 980 CONECT 980 979 981 CONECT 981 980 982 CONECT 982 981 983 CONECT 983 982 984 CONECT 984 983 985 CONECT 985 984 986 CONECT 986 985 987 CONECT 987 986 CONECT 988 989 CONECT 989 988 990 CONECT 990 989 991 CONECT 991 990 992 CONECT 992 991 993 CONECT 993 992 994 CONECT 994 993 995 CONECT 995 994 996 CONECT 996 995 997 CONECT 997 996 998 CONECT 998 997 999 CONECT 999 998 1000 CONECT 1000 999 CONECT 1001 970 CONECT 1010 970 END