USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 10-DEC-15 5F9X TITLE X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND TITLE 2 CISPLATIN UPON 24 HOURS OF INCUBATION AT 55 DEGREES COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME C; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: 1,4-BETA-N-ACETYLMURAMIDASE C,ALLERGEN GAL D IV; COMPND 5 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031 KEYWDS HYDROLASE, DRUG, CISPLATIN EXPDTA X-RAY DIFFRACTION AUTHOR I.RUSSO KRAUSS,G.FERRARO,A.PICA,A.MERLINO REVDAT 2 29-JUN-16 5F9X 1 JRNL REVDAT 1 13-APR-16 5F9X 0 JRNL AUTH G.FERRARO,A.PICA,I.RUSSO KRAUSS,F.PANE,A.AMORESANO,A.MERLINO JRNL TITL EFFECT OF TEMPERATURE ON THE INTERACTION OF CISPLATIN WITH JRNL TITL 2 THE MODEL PROTEIN HEN EGG WHITE LYSOZYME. JRNL REF J.BIOL.INORG.CHEM. V. 21 433 2016 JRNL REFN ESSN 1432-1327 JRNL PMID 27040953 JRNL DOI 10.1007/S00775-016-1352-0 REMARK 2 REMARK 2 RESOLUTION. 1.94 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0135 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.94 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 55.15 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 97.3 REMARK 3 NUMBER OF REFLECTIONS : 8257 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) : 0.202 REMARK 3 R VALUE (WORKING SET) : 0.199 REMARK 3 FREE R VALUE : 0.248 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.700 REMARK 3 FREE R VALUE TEST SET COUNT : 403 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) : 1.94 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.99 REMARK 3 REFLECTION IN BIN (WORKING SET) : 566 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 94.03 REMARK 3 BIN R VALUE (WORKING SET) : 0.3350 REMARK 3 BIN FREE R VALUE SET COUNT : 32 REMARK 3 BIN FREE R VALUE : 0.2700 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 11 REMARK 3 SOLVENT ATOMS : 117 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.63 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.24000 REMARK 3 B22 (A**2) : -0.24000 REMARK 3 B33 (A**2) : 0.48000 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): 0.225 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.185 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.171 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.535 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.946 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.909 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1072 ; 0.014 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 982 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1459 ; 1.672 ; 1.915 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2237 ; 1.060 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 136 ; 6.761 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 53 ;36.837 ;23.019 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 173 ;14.775 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;19.631 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 150 ; 0.093 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1284 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 287 ; 0.002 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): 535 ; 1.471 ; 2.011 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 534 ; 1.467 ; 2.006 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 674 ; 2.261 ; 3.009 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 675 ; 2.262 ; 3.014 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 536 ; 2.534 ; 2.358 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 533 ; 2.496 ; 2.352 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 784 ; 3.908 ; 3.420 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1381 ; 6.291 ;17.479 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1344 ; 5.998 ;17.231 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 : NULL REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 5F9X COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 10-DEC-15. REMARK 100 THE DEPOSITION ID IS D_1000216252. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 20-OCT-15 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RIGAKU SATURN 944 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 8655 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.940 REMARK 200 RESOLUTION RANGE LOW (A) : 55.200 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 4.300 REMARK 200 R MERGE (I) : 0.22400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.94 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.99 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.6 REMARK 200 DATA REDUNDANCY IN SHELL : 3.30 REMARK 200 R MERGE FOR SHELL (I) : 0.78600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 0.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: REFMAC REMARK 200 STARTING MODEL: 193L REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.25 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.96 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALS WERE GROWN USING A RESERVOIR REMARK 280 SOLUTION OF 1.1 M NACL, 0.1 M SODIUM ACETATE PH 4.4 AND A DROP REMARK 280 OF 1 UL ADDUCT SOLUTION AND 1 UL RESERVOIR SOLUTION., VAPOR REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+3/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+1/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+3/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+1/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.46500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 38.99500 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 38.99500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.69750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 38.99500 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 38.99500 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.23250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 38.99500 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 38.99500 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.69750 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 38.99500 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 38.99500 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.23250 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.46500 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 TOTAL BURIED SURFACE AREA: 660 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6420 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -16.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 357 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 385 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 404 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 413 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 414 LIES ON A SPECIAL POSITION. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 383 O HOH A 394 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OXT LEU A 129 OXT LEU A 129 8554 1.84 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 52 CB - CG - OD2 ANGL. DEV. = -6.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 21 45.01 39.08 REMARK 500 ARG A 68 32.44 -151.06 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 CPT A 203 PT1 REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ARG A 14 NH1 REMARK 620 2 HIS A 15 NE2 76.2 REMARK 620 N 1 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CPT A 202 PT1 REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 15 ND1 REMARK 620 2 CPT A 202 N1 93.7 REMARK 620 3 CPT A 202 N2 179.4 86.1 REMARK 620 4 CPT A 202 CL2 85.7 178.8 94.5 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 GOL A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CPT A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CPT A 203 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 5F9U RELATED DB: PDB DBREF 5F9X A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU HET GOL A 201 6 HET CPT A 202 4 HET CPT A 203 1 HETNAM GOL GLYCEROL HETNAM CPT CISPLATIN HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL HETSYN CPT DIAMMINE(DICHLORO)PLATINUM FORMUL 2 GOL C3 H8 O3 FORMUL 3 CPT 2(CL2 H6 N2 PT) FORMUL 5 HOH *117(H2 O) HELIX 1 AA1 GLY A 4 HIS A 15 1 12 HELIX 2 AA2 ASN A 19 TYR A 23 5 5 HELIX 3 AA3 SER A 24 ASN A 37 1 14 HELIX 4 AA4 PRO A 79 SER A 85 5 7 HELIX 5 AA5 ILE A 88 SER A 100 1 13 HELIX 6 AA6 ASN A 103 ALA A 107 5 5 HELIX 7 AA7 TRP A 108 CYS A 115 1 8 HELIX 8 AA8 ASP A 119 ARG A 125 5 7 SHEET 1 AA1 3 THR A 43 ARG A 45 0 SHEET 2 AA1 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44 SHEET 3 AA1 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SSBOND *** CYS A 6 CYS A 127 1555 1555 1.99 SSBOND *** CYS A 30 CYS A 115 1555 1555 2.01 SSBOND *** CYS A 64 CYS A 80 1555 1555 2.05 SSBOND *** CYS A 76 CYS A 94 1555 1555 2.03 LINK NH1 ARG A 14 PT1 BCPT A 203 1555 1555 2.12 LINK ND1 HIS A 15 PT1 CPT A 202 1555 1555 2.36 LINK NE2 HIS A 15 PT1 BCPT A 203 1555 1555 2.76 SITE *** AC1 9 GLN A 57 ILE A 58 ASN A 59 TRP A 63 SITE *** AC1 9 ILE A 98 ALA A 107 TRP A 108 HOH A 321 SITE *** AC1 9 HOH A 324 SITE *** AC2 3 HIS A 15 ASN A 93 HOH A 318 SITE *** AC3 3 ARG A 14 HIS A 15 ASP A 87 CRYST1 77.990 77.990 36.930 90.00 90.00 90.00 P 43 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012822 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012822 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027078 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 106 ASN : amide:sc= 0.798 K(o=2.3,f=-5.2!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -178:sc= 1.53 (180deg=0.819) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -0.181 K(o=1.8,f=-0.88) USER MOD Set 2.2: A 89 THR OG1 : rot 74:sc= 1.93 USER MOD Set 3.1: A 60 SER OG : rot 126:sc= 1.49 USER MOD Set 3.2: A 69 THR OG1 : rot 74:sc= 1.59 USER MOD Set 4.1: A 46 ASN : amide:sc= 1.03 K(o=3.6,f=1.8) USER MOD Set 4.2: A 50 SER OG : rot -75:sc= 1.84 USER MOD Set 4.3: A 59 ASN : amide:sc= 0.692 K(o=3.6,f=-5.7!) USER MOD Set 5.1: A 44 ASN A: amide:sc= -0.972 X(o=0.19,f=-0.24) USER MOD Set 5.2: A 57 GLN : amide:sc= 1.16 K(o=0.19,f=-1.4) USER MOD Set 6.1: A 33 LYS NZ :NH3+ 156:sc= 0.707 (180deg=0) USER MOD Set 6.2: A 37 ASN : amide:sc= 0.81 K(o=1.5,f=-3.5!) USER MOD Set 7.1: A 24 SER OG : rot 122:sc= 0.497 USER MOD Set 7.2: A 27 ASN : amide:sc= 1.19 K(o=1.7,f=-2.8!) USER MOD Set 8.1: A 1 LYS N :NH3+ -176:sc= 3.73 (180deg=2.42) USER MOD Set 8.2: A 40 THR OG1 : rot 100:sc= 1.07 USER MOD Single : A 1 LYS NZ :NH3+ 154:sc= 0.959 (180deg=0.552) USER MOD Single : A 12 MET CE :methyl -175:sc= -0.0189 (180deg=-0.0488) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= -0.0151 (180deg=-0.207) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= 1.09 USER MOD Single : A 36 SER OG : rot -117:sc= 1.28 USER MOD Single : A 39 ASN : amide:sc= 1.19 K(o=1.2,f=-2.6) USER MOD Single : A 41 GLN : amide:sc= 0.167 X(o=0.17,f=0.5) USER MOD Single : A 43 THR OG1 : rot -75:sc= 0.816 USER MOD Single : A 44 ASN B: amide:sc= 0.357 K(o=0.36,f=-0.17) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 77:sc= 1.64 USER MOD Single : A 53 TYR OH : rot -5:sc= 1.3 USER MOD Single : A 65 ASN : amide:sc= 0.664 X(o=0.66,f=0.5) USER MOD Single : A 72 SER OG : rot -93:sc= 1.71 USER MOD Single : A 74 ASN : amide:sc= -0.541 K(o=-0.54,f=-6!) USER MOD Single : A 77 ASN A: amide:sc= -0.273 X(o=-0.27,f=-0.034) USER MOD Single : A 77 ASN B: amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 81 SER OG : rot 79:sc= 0.978 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00469 USER MOD Single : A 86 SER OG : rot -90:sc= 0.205 USER MOD Single : A 91 SER OG : rot 76:sc= 0.828 USER MOD Single : A 93 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ -140:sc= 1.36 (180deg=1) USER MOD Single : A 97 LYS NZ :NH3+ -177:sc= 1.34 (180deg=1.3) USER MOD Single : A 100 SER OG : rot 109:sc= 1.33 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 171:sc= -0.0456 (180deg=-0.139) USER MOD Single : A 113 ASN : amide:sc= 0.769 K(o=0.77,f=-0.65) USER MOD Single : A 118 THR OG1 : rot -54:sc= 2.38 USER MOD Single : A 121 GLN : amide:sc= -0.36 K(o=-0.36,f=-0.9) USER MOD Single : A 201 GOL O1 : rot -88:sc= 2.06 USER MOD Single : A 201 GOL O2 : rot 127:sc= 0.659 USER MOD Single : A 201 GOL O3 : rot -134:sc= 0.435 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.711 -9.607 -8.619 1.00 18.38 N ATOM 2 CA LYS A 1 -1.761 -10.057 -9.696 1.00 18.83 C ATOM 3 C LYS A 1 -1.823 -11.579 -9.884 1.00 18.02 C ATOM 4 O LYS A 1 -1.825 -12.349 -8.890 1.00 15.92 O ATOM 5 CB LYS A 1 -0.324 -9.626 -9.371 1.00 20.37 C ATOM 6 CG LYS A 1 0.741 -10.105 -10.359 1.00 21.52 C ATOM 7 CD LYS A 1 2.083 -9.542 -9.995 1.00 21.79 C ATOM 8 CE LYS A 1 3.151 -9.988 -11.005 1.00 24.10 C ATOM 9 NZ LYS A 1 4.547 -9.772 -10.466 1.00 25.05 N ATOM 0 H1 LYS A 1 -2.702 -8.719 -8.567 1.00 18.38 H new ATOM 0 H2 LYS A 1 -3.534 -9.884 -8.814 1.00 18.38 H new ATOM 0 H3 LYS A 1 -2.460 -9.952 -7.838 1.00 18.38 H new ATOM 0 HA LYS A 1 -2.033 -9.633 -10.525 1.00 18.83 H new ATOM 0 HB2 LYS A 1 -0.294 -8.657 -9.330 1.00 20.37 H new ATOM 0 HB3 LYS A 1 -0.095 -9.954 -8.487 1.00 20.37 H new ATOM 0 HG2 LYS A 1 0.779 -11.074 -10.358 1.00 21.52 H new ATOM 0 HG3 LYS A 1 0.502 -9.832 -11.259 1.00 21.52 H new ATOM 0 HD2 LYS A 1 2.037 -8.573 -9.972 1.00 21.79 H new ATOM 0 HD3 LYS A 1 2.331 -9.835 -9.104 1.00 21.79 H new ATOM 0 HE2 LYS A 1 3.026 -10.926 -11.217 1.00 24.10 H new ATOM 0 HE3 LYS A 1 3.042 -9.494 -11.832 1.00 24.10 H new ATOM 0 HZ1 LYS A 1 5.107 -10.345 -10.853 1.00 25.05 H new ATOM 0 HZ2 LYS A 1 4.807 -8.939 -10.641 1.00 25.05 H new ATOM 0 HZ3 LYS A 1 4.549 -9.905 -9.586 1.00 25.05 H new ATOM 10 N VAL A 2 -1.867 -11.984 -11.151 1.00 16.60 N ATOM 11 CA VAL A 2 -1.762 -13.369 -11.535 1.00 18.20 C ATOM 12 C VAL A 2 -0.330 -13.594 -11.995 1.00 19.92 C ATOM 13 O VAL A 2 0.088 -13.001 -12.976 1.00 22.24 O ATOM 14 CB VAL A 2 -2.741 -13.759 -12.660 1.00 18.47 C ATOM 15 CG1 VAL A 2 -2.643 -15.255 -12.968 1.00 19.09 C ATOM 16 CG2 VAL A 2 -4.175 -13.441 -12.293 1.00 18.29 C ATOM 0 H VAL A 2 -1.960 -11.446 -11.815 1.00 16.60 H new ATOM 0 HA VAL A 2 -1.994 -13.925 -10.775 1.00 18.20 H new ATOM 0 HB VAL A 2 -2.490 -13.239 -13.439 1.00 18.47 H new ATOM 0 HG11 VAL A 2 -3.265 -15.481 -13.677 1.00 19.09 H new ATOM 0 HG12 VAL A 2 -1.740 -15.469 -13.250 1.00 19.09 H new ATOM 0 HG13 VAL A 2 -2.862 -15.764 -12.172 1.00 19.09 H new ATOM 0 HG21 VAL A 2 -4.761 -13.699 -13.022 1.00 18.29 H new ATOM 0 HG22 VAL A 2 -4.421 -13.931 -11.493 1.00 18.29 H new ATOM 0 HG23 VAL A 2 -4.264 -12.489 -12.129 1.00 18.29 H new ATOM 17 N PHE A 3 0.431 -14.421 -11.273 1.00 20.33 N ATOM 18 CA PHE A 3 1.839 -14.617 -11.580 1.00 19.98 C ATOM 19 C PHE A 3 1.908 -15.632 -12.699 1.00 21.19 C ATOM 20 O PHE A 3 1.029 -16.483 -12.805 1.00 19.89 O ATOM 21 CB PHE A 3 2.592 -15.197 -10.384 1.00 20.05 C ATOM 22 CG PHE A 3 3.109 -14.176 -9.430 1.00 19.04 C ATOM 23 CD1 PHE A 3 2.282 -13.620 -8.468 1.00 18.64 C ATOM 24 CD2 PHE A 3 4.446 -13.789 -9.476 1.00 19.13 C ATOM 25 CE1 PHE A 3 2.772 -12.652 -7.590 1.00 19.55 C ATOM 26 CE2 PHE A 3 4.947 -12.855 -8.579 1.00 19.15 C ATOM 27 CZ PHE A 3 4.108 -12.271 -7.645 1.00 19.57 C ATOM 0 H PHE A 3 0.145 -14.876 -10.601 1.00 20.33 H new ATOM 0 HA PHE A 3 2.238 -13.765 -11.816 1.00 19.98 H new ATOM 0 HB2 PHE A 3 2.002 -15.801 -9.906 1.00 20.05 H new ATOM 0 HB3 PHE A 3 3.337 -15.726 -10.710 1.00 20.05 H new ATOM 0 HD1 PHE A 3 1.395 -13.893 -8.407 1.00 18.64 H new ATOM 0 HD2 PHE A 3 5.010 -14.161 -10.115 1.00 19.13 H new ATOM 0 HE1 PHE A 3 2.203 -12.261 -6.967 1.00 19.55 H new ATOM 0 HE2 PHE A 3 5.847 -12.621 -8.606 1.00 19.15 H new ATOM 0 HZ PHE A 3 4.436 -11.628 -7.058 1.00 19.57 H new ATOM 28 N GLY A 4 2.968 -15.556 -13.513 1.00 22.18 N ATOM 29 CA GLY A 4 3.432 -16.732 -14.245 1.00 20.32 C ATOM 30 C GLY A 4 4.070 -17.775 -13.327 1.00 20.09 C ATOM 31 O GLY A 4 4.560 -17.478 -12.248 1.00 19.80 O ATOM 0 H GLY A 4 3.425 -14.840 -13.651 1.00 22.18 H new ATOM 0 HA2 GLY A 4 2.684 -17.133 -14.716 1.00 20.32 H new ATOM 0 HA3 GLY A 4 4.076 -16.459 -14.917 1.00 20.32 H new ATOM 32 N ARG A 5 4.091 -19.016 -13.779 1.00 21.32 N ATOM 33 CA ARG A 5 4.690 -20.107 -13.014 1.00 20.60 C ATOM 34 C ARG A 5 6.147 -19.779 -12.647 1.00 22.02 C ATOM 35 O ARG A 5 6.492 -19.644 -11.472 1.00 21.98 O ATOM 36 CB ARG A 5 4.568 -21.397 -13.829 1.00 21.30 C ATOM 37 CG ARG A 5 5.073 -22.623 -13.109 1.00 21.57 C ATOM 38 CD ARG A 5 4.884 -23.854 -13.962 1.00 22.59 C ATOM 39 NE ARG A 5 5.509 -23.728 -15.299 1.00 23.30 N ATOM 40 CZ ARG A 5 6.771 -24.047 -15.613 1.00 24.46 C ATOM 41 NH1 ARG A 5 7.627 -24.559 -14.737 1.00 23.47 N ATOM 42 NH2 ARG A 5 7.173 -23.886 -16.861 1.00 26.50 N ATOM 0 H ARG A 5 3.760 -19.255 -14.536 1.00 21.32 H new ATOM 0 HA ARG A 5 4.220 -20.228 -12.174 1.00 20.60 H new ATOM 0 HB2 ARG A 5 3.637 -21.532 -14.067 1.00 21.30 H new ATOM 0 HB3 ARG A 5 5.061 -21.293 -14.658 1.00 21.30 H new ATOM 0 HG2 ARG A 5 6.012 -22.514 -12.893 1.00 21.57 H new ATOM 0 HG3 ARG A 5 4.599 -22.729 -12.269 1.00 21.57 H new ATOM 0 HD2 ARG A 5 5.262 -24.621 -13.504 1.00 22.59 H new ATOM 0 HD3 ARG A 5 3.935 -24.026 -14.068 1.00 22.59 H new ATOM 0 HE ARG A 5 5.015 -23.421 -15.933 1.00 23.30 H new ATOM 0 HH11 ARG A 5 7.379 -24.700 -13.926 1.00 23.47 H new ATOM 0 HH12 ARG A 5 8.429 -24.750 -14.981 1.00 23.47 H new ATOM 0 HH21 ARG A 5 6.628 -23.582 -17.453 1.00 26.50 H new ATOM 0 HH22 ARG A 5 7.980 -24.085 -17.082 1.00 26.50 H new ATOM 43 N CYS A 6 6.989 -19.602 -13.660 1.00 21.95 N ATOM 44 CA CYS A 6 8.424 -19.316 -13.447 1.00 22.13 C ATOM 45 C CYS A 6 8.624 -17.962 -12.749 1.00 20.86 C ATOM 46 O CYS A 6 9.569 -17.789 -11.994 1.00 18.77 O ATOM 47 CB CYS A 6 9.177 -19.389 -14.785 1.00 21.93 C ATOM 48 SG CYS A 6 9.162 -21.051 -15.461 1.00 22.65 S ATOM 0 H CYS A 6 6.756 -19.642 -14.487 1.00 21.95 H new ATOM 0 HA CYS A 6 8.793 -19.991 -12.856 1.00 22.13 H new ATOM 0 HB2 CYS A 6 8.772 -18.777 -15.419 1.00 21.93 H new ATOM 0 HB3 CYS A 6 10.094 -19.099 -14.658 1.00 21.93 H new ATOM 49 N GLU A 7 7.693 -17.033 -12.986 1.00 19.19 N ATOM 50 CA GLU A 7 7.743 -15.745 -12.317 1.00 19.28 C ATOM 51 C GLU A 7 7.515 -15.913 -10.831 1.00 18.20 C ATOM 52 O GLU A 7 8.269 -15.381 -10.044 1.00 18.92 O ATOM 53 CB GLU A 7 6.715 -14.778 -12.907 1.00 20.03 C ATOM 54 CG GLU A 7 6.704 -13.371 -12.282 1.00 19.60 C ATOM 55 CD GLU A 7 5.486 -12.580 -12.770 1.00 22.54 C ATOM 56 OE1 GLU A 7 4.534 -13.213 -13.327 1.00 21.03 O ATOM 57 OE2 GLU A 7 5.485 -11.327 -12.606 1.00 25.37 O ATOM 0 H GLU A 7 7.032 -17.134 -13.527 1.00 19.19 H new ATOM 0 HA GLU A 7 8.626 -15.368 -12.457 1.00 19.28 H new ATOM 0 HB2 GLU A 7 6.882 -14.692 -13.859 1.00 20.03 H new ATOM 0 HB3 GLU A 7 5.832 -15.167 -12.808 1.00 20.03 H new ATOM 0 HG2 GLU A 7 6.686 -13.440 -11.315 1.00 19.60 H new ATOM 0 HG3 GLU A 7 7.519 -12.900 -12.517 1.00 19.60 H new ATOM 58 N LEU A 8 6.498 -16.677 -10.446 1.00 16.41 N ATOM 59 CA LEU A 8 6.306 -16.963 -9.034 1.00 15.95 C ATOM 60 C LEU A 8 7.460 -17.739 -8.414 1.00 16.40 C ATOM 61 O LEU A 8 7.829 -17.427 -7.326 1.00 16.91 O ATOM 62 CB LEU A 8 5.000 -17.717 -8.818 1.00 15.56 C ATOM 63 CG LEU A 8 4.571 -17.912 -7.382 1.00 16.18 C ATOM 64 CD1 LEU A 8 4.484 -16.623 -6.561 1.00 17.40 C ATOM 65 CD2 LEU A 8 3.256 -18.642 -7.353 1.00 16.73 C ATOM 0 H LEU A 8 5.920 -17.032 -10.975 1.00 16.41 H new ATOM 0 HA LEU A 8 6.271 -16.104 -8.585 1.00 15.95 H new ATOM 0 HB2 LEU A 8 4.294 -17.244 -9.285 1.00 15.56 H new ATOM 0 HB3 LEU A 8 5.080 -18.590 -9.233 1.00 15.56 H new ATOM 0 HG LEU A 8 5.268 -18.435 -6.957 1.00 16.18 H new ATOM 0 HD11 LEU A 8 4.204 -16.833 -5.657 1.00 17.40 H new ATOM 0 HD12 LEU A 8 5.354 -16.194 -6.538 1.00 17.40 H new ATOM 0 HD13 LEU A 8 3.839 -16.023 -6.967 1.00 17.40 H new ATOM 0 HD21 LEU A 8 2.977 -18.769 -6.433 1.00 16.73 H new ATOM 0 HD22 LEU A 8 2.587 -18.122 -7.825 1.00 16.73 H new ATOM 0 HD23 LEU A 8 3.356 -19.506 -7.783 1.00 16.73 H new ATOM 66 N ALA A 9 8.006 -18.754 -9.100 1.00 16.97 N ATOM 67 CA ALA A 9 9.123 -19.536 -8.575 1.00 17.14 C ATOM 68 C ALA A 9 10.248 -18.610 -8.196 1.00 17.68 C ATOM 69 O ALA A 9 10.799 -18.717 -7.105 1.00 18.45 O ATOM 70 CB ALA A 9 9.606 -20.576 -9.579 1.00 17.42 C ATOM 0 H ALA A 9 7.737 -19.003 -9.878 1.00 16.97 H new ATOM 0 HA ALA A 9 8.816 -20.015 -7.790 1.00 17.14 H new ATOM 0 HB1 ALA A 9 10.346 -21.075 -9.198 1.00 17.42 H new ATOM 0 HB2 ALA A 9 8.880 -21.184 -9.789 1.00 17.42 H new ATOM 0 HB3 ALA A 9 9.900 -20.132 -10.390 1.00 17.42 H new ATOM 71 N ALA A 10 10.566 -17.679 -9.090 1.00 19.74 N ATOM 72 CA ALA A 10 11.650 -16.696 -8.867 1.00 18.98 C ATOM 73 C ALA A 10 11.385 -15.834 -7.665 1.00 19.24 C ATOM 74 O ALA A 10 12.292 -15.534 -6.897 1.00 23.62 O ATOM 75 CB ALA A 10 11.805 -15.798 -10.096 1.00 19.62 C ATOM 0 H ALA A 10 10.165 -17.591 -9.846 1.00 19.74 H new ATOM 0 HA ALA A 10 12.466 -17.198 -8.711 1.00 18.98 H new ATOM 0 HB1 ALA A 10 12.517 -15.157 -9.941 1.00 19.62 H new ATOM 0 HB2 ALA A 10 12.022 -16.342 -10.869 1.00 19.62 H new ATOM 0 HB3 ALA A 10 10.974 -15.324 -10.258 1.00 19.62 H new ATOM 76 N ALA A 11 10.156 -15.381 -7.499 1.00 17.23 N ATOM 77 CA ALA A 11 9.847 -14.511 -6.389 1.00 17.13 C ATOM 78 C ALA A 11 9.866 -15.334 -5.116 1.00 16.68 C ATOM 79 O ALA A 11 10.339 -14.879 -4.097 1.00 15.36 O ATOM 80 CB ALA A 11 8.494 -13.838 -6.614 1.00 17.79 C ATOM 0 H ALA A 11 9.493 -15.565 -8.014 1.00 17.23 H new ATOM 0 HA ALA A 11 10.507 -13.805 -6.312 1.00 17.13 H new ATOM 0 HB1 ALA A 11 8.293 -13.256 -5.865 1.00 17.79 H new ATOM 0 HB2 ALA A 11 8.524 -13.315 -7.430 1.00 17.79 H new ATOM 0 HB3 ALA A 11 7.804 -14.516 -6.690 1.00 17.79 H new ATOM 81 N MET A 12 9.417 -16.582 -5.185 1.00 17.80 N ATOM 82 CA MET A 12 9.469 -17.448 -3.991 1.00 18.78 C ATOM 83 C MET A 12 10.935 -17.711 -3.581 1.00 19.09 C ATOM 84 O MET A 12 11.297 -17.659 -2.388 1.00 18.81 O ATOM 85 CB MET A 12 8.672 -18.715 -4.239 1.00 17.90 C ATOM 86 CG MET A 12 7.196 -18.464 -4.260 1.00 17.80 C ATOM 87 SD MET A 12 6.311 -20.019 -4.431 1.00 18.80 S ATOM 88 CE MET A 12 4.674 -19.608 -3.818 1.00 17.70 C ATOM 0 H MET A 12 9.085 -16.947 -5.889 1.00 17.80 H new ATOM 0 HA MET A 12 9.054 -17.001 -3.236 1.00 18.78 H new ATOM 0 HB2 MET A 12 8.944 -19.105 -5.085 1.00 17.90 H new ATOM 0 HB3 MET A 12 8.878 -19.364 -3.548 1.00 17.90 H new ATOM 0 HG2 MET A 12 6.925 -18.017 -3.443 1.00 17.80 H new ATOM 0 HG3 MET A 12 6.971 -17.873 -4.995 1.00 17.80 H new ATOM 0 HE1 MET A 12 4.127 -20.409 -3.792 1.00 17.70 H new ATOM 0 HE2 MET A 12 4.746 -19.238 -2.924 1.00 17.70 H new ATOM 0 HE3 MET A 12 4.263 -18.955 -4.406 1.00 17.70 H new ATOM 89 N LYS A 13 11.780 -17.889 -4.591 1.00 21.33 N ATOM 90 CA LYS A 13 13.212 -18.137 -4.392 1.00 24.96 C ATOM 91 C LYS A 13 13.892 -16.917 -3.808 1.00 26.30 C ATOM 92 O LYS A 13 14.552 -16.984 -2.773 1.00 28.41 O ATOM 93 CB LYS A 13 13.867 -18.521 -5.709 1.00 29.12 C ATOM 94 CG LYS A 13 15.220 -19.195 -5.537 1.00 36.11 C ATOM 95 CD LYS A 13 15.710 -19.758 -6.883 1.00 41.39 C ATOM 96 CE LYS A 13 16.989 -20.599 -6.776 1.00 44.18 C ATOM 97 NZ LYS A 13 18.010 -19.918 -5.928 1.00 47.26 N ATOM 0 H LYS A 13 11.541 -17.870 -5.417 1.00 21.33 H new ATOM 0 HA LYS A 13 13.310 -18.871 -3.766 1.00 24.96 H new ATOM 0 HB2 LYS A 13 13.276 -19.117 -6.195 1.00 29.12 H new ATOM 0 HB3 LYS A 13 13.976 -17.725 -6.252 1.00 29.12 H new ATOM 0 HG2 LYS A 13 15.865 -18.558 -5.192 1.00 36.11 H new ATOM 0 HG3 LYS A 13 15.152 -19.910 -4.885 1.00 36.11 H new ATOM 0 HD2 LYS A 13 15.007 -20.302 -7.271 1.00 41.39 H new ATOM 0 HD3 LYS A 13 15.868 -19.021 -7.494 1.00 41.39 H new ATOM 0 HE2 LYS A 13 16.778 -21.467 -6.399 1.00 44.18 H new ATOM 0 HE3 LYS A 13 17.352 -20.755 -7.662 1.00 44.18 H new ATOM 0 HZ1 LYS A 13 18.787 -20.347 -5.997 1.00 47.26 H new ATOM 0 HZ2 LYS A 13 18.110 -19.077 -6.202 1.00 47.26 H new ATOM 0 HZ3 LYS A 13 17.743 -19.923 -5.079 1.00 47.26 H new ATOM 98 N ARG A 14 13.667 -15.775 -4.426 1.00 26.18 N ATOM 99 CA ARG A 14 14.205 -14.527 -3.928 1.00 26.94 C ATOM 100 C ARG A 14 13.875 -14.361 -2.437 1.00 27.70 C ATOM 101 O ARG A 14 14.726 -13.973 -1.647 1.00 26.40 O ATOM 102 CB ARG A 14 13.638 -13.390 -4.750 1.00 29.70 C ATOM 103 CG ARG A 14 14.148 -12.044 -4.308 1.00 36.64 C ATOM 104 CD ARG A 14 13.884 -10.997 -5.362 1.00 39.26 C ATOM 105 NE ARG A 14 12.499 -10.552 -5.334 1.00 40.30 N ATOM 106 CZ ARG A 14 11.983 -9.728 -4.418 1.00 39.55 C ATOM 107 NH1 ARG A 14 10.684 -9.425 -4.512 1.00 38.35 N ATOM 108 NH2 ARG A 14 12.744 -9.225 -3.408 1.00 36.43 N ATOM 0 H ARG A 14 13.200 -15.700 -5.144 1.00 26.18 H new ATOM 0 HA ARG A 14 15.171 -14.524 -4.012 1.00 26.94 H new ATOM 0 HB2 ARG A 14 13.864 -13.527 -5.683 1.00 29.70 H new ATOM 0 HB3 ARG A 14 12.670 -13.402 -4.687 1.00 29.70 H new ATOM 0 HG2 ARG A 14 13.718 -11.788 -3.477 1.00 36.64 H new ATOM 0 HG3 ARG A 14 15.100 -12.097 -4.130 1.00 36.64 H new ATOM 0 HD2 ARG A 14 14.472 -10.239 -5.221 1.00 39.26 H new ATOM 0 HD3 ARG A 14 14.092 -11.358 -6.238 1.00 39.26 H new ATOM 0 HE ARG A 14 11.975 -10.840 -5.952 1.00 40.30 H new ATOM 0 HH11 ARG A 14 10.210 -9.758 -5.147 1.00 38.35 H new ATOM 0 HH12 ARG A 14 10.323 -8.897 -3.937 1.00 38.35 H new ATOM 0 HH21 ARG A 14 13.576 -9.436 -3.350 1.00 36.43 H new ATOM 0 HH22 ARG A 14 12.393 -8.696 -2.828 1.00 36.43 H new ATOM 109 N HIS A 15 12.644 -14.706 -2.050 1.00 25.40 N ATOM 110 CA HIS A 15 12.209 -14.592 -0.661 1.00 25.97 C ATOM 111 C HIS A 15 12.589 -15.762 0.286 1.00 24.47 C ATOM 112 O HIS A 15 12.158 -15.779 1.444 1.00 24.87 O ATOM 113 CB HIS A 15 10.714 -14.269 -0.615 1.00 25.82 C ATOM 114 CG HIS A 15 10.394 -12.900 -1.100 1.00 28.42 C ATOM 115 ND1 HIS A 15 10.779 -11.765 -0.427 1.00 32.34 N ATOM 116 CD2 HIS A 15 9.747 -12.471 -2.206 1.00 29.96 C ATOM 117 CE1 HIS A 15 10.357 -10.695 -1.081 1.00 33.66 C ATOM 118 NE2 HIS A 15 9.712 -11.100 -2.154 1.00 30.15 N ATOM 0 H HIS A 15 12.043 -15.011 -2.584 1.00 25.40 H new ATOM 0 HA HIS A 15 12.723 -13.857 -0.292 1.00 25.97 H new ATOM 0 HB2 HIS A 15 10.233 -14.917 -1.153 1.00 25.82 H new ATOM 0 HB3 HIS A 15 10.396 -14.365 0.296 1.00 25.82 H new ATOM 0 HD1 HIS A 15 11.226 -11.752 0.307 1.00 32.34 H new ATOM 0 HD2 HIS A 15 9.391 -13.006 -2.878 1.00 29.96 H new ATOM 0 HE1 HIS A 15 10.493 -9.811 -0.827 1.00 33.66 H new ATOM 119 N GLY A 16 13.418 -16.700 -0.180 1.00 23.07 N ATOM 120 CA GLY A 16 13.924 -17.765 0.657 1.00 23.73 C ATOM 121 C GLY A 16 13.022 -18.954 0.939 1.00 23.58 C ATOM 122 O GLY A 16 13.236 -19.646 1.934 1.00 24.45 O ATOM 0 H GLY A 16 13.697 -16.728 -0.993 1.00 23.07 H new ATOM 0 HA2 GLY A 16 14.737 -18.101 0.248 1.00 23.73 H new ATOM 0 HA3 GLY A 16 14.175 -17.376 1.509 1.00 23.73 H new ATOM 123 N ALEU A 17 12.042 -19.208 0.072 0.50 22.71 N ATOM 124 N BLEU A 17 12.046 -19.213 0.071 0.50 22.83 N ATOM 125 CA ALEU A 17 11.167 -20.379 0.220 0.50 23.19 C ATOM 126 CA BLEU A 17 11.171 -20.382 0.228 0.50 23.37 C ATOM 127 C ALEU A 17 11.804 -21.709 -0.240 0.50 24.02 C ATOM 128 C BLEU A 17 11.794 -21.713 -0.250 0.50 24.10 C ATOM 129 O ALEU A 17 11.419 -22.775 0.254 0.50 23.18 O ATOM 130 O BLEU A 17 11.389 -22.783 0.220 0.50 23.07 O ATOM 131 CB ALEU A 17 9.850 -20.162 -0.524 0.50 22.27 C ATOM 132 CB BLEU A 17 9.843 -20.153 -0.487 0.50 22.59 C ATOM 133 CG ALEU A 17 8.744 -19.481 0.261 0.50 22.35 C ATOM 134 CG BLEU A 17 8.805 -19.395 0.317 0.50 22.86 C ATOM 135 CD1ALEU A 17 7.427 -19.644 -0.496 0.50 22.11 C ATOM 136 CD1BLEU A 17 7.445 -19.561 -0.357 0.50 22.77 C ATOM 137 CD2ALEU A 17 8.617 -20.032 1.683 0.50 21.76 C ATOM 138 CD2BLEU A 17 8.752 -19.870 1.770 0.50 22.35 C ATOM 0 H ALEU A 17 11.865 -18.716 -0.610 0.50 22.83 H new ATOM 0 H BLEU A 17 11.871 -18.727 -0.616 0.50 22.83 H new ATOM 0 HA ALEU A 17 11.010 -20.463 1.173 0.50 23.37 H new ATOM 0 HA BLEU A 17 11.032 -20.474 1.184 0.50 23.37 H new ATOM 0 HB2ALEU A 17 10.031 -19.634 -1.317 0.50 22.59 H new ATOM 0 HB2BLEU A 17 10.013 -19.668 -1.309 0.50 22.59 H new ATOM 0 HB3ALEU A 17 9.524 -21.024 -0.825 0.50 22.59 H new ATOM 0 HB3BLEU A 17 9.473 -21.014 -0.737 0.50 22.59 H new ATOM 0 HG ALEU A 17 8.966 -18.541 0.347 0.50 22.86 H new ATOM 0 HG BLEU A 17 9.051 -18.457 0.339 0.50 22.86 H new ATOM 0 HD11ALEU A 17 6.714 -19.211 -0.001 0.50 22.77 H new ATOM 0 HD11BLEU A 17 6.772 -19.080 0.149 0.50 22.77 H new ATOM 0 HD12ALEU A 17 7.505 -19.237 -1.373 0.50 22.77 H new ATOM 0 HD12BLEU A 17 7.485 -19.207 -1.259 0.50 22.77 H new ATOM 0 HD13ALEU A 17 7.225 -20.588 -0.595 0.50 22.77 H new ATOM 0 HD13BLEU A 17 7.213 -20.502 -0.390 0.50 22.77 H new ATOM 0 HD21ALEU A 17 7.901 -19.570 2.147 0.50 22.35 H new ATOM 0 HD21BLEU A 17 8.079 -19.364 2.252 0.50 22.35 H new ATOM 0 HD22ALEU A 17 8.418 -20.981 1.646 0.50 22.35 H new ATOM 0 HD22BLEU A 17 8.526 -20.813 1.794 0.50 22.35 H new ATOM 0 HD23ALEU A 17 9.451 -19.895 2.159 0.50 22.35 H new ATOM 0 HD23BLEU A 17 9.617 -19.735 2.187 0.50 22.35 H new ATOM 139 N ASP A 18 12.738 -21.653 -1.194 1.00 24.88 N ATOM 140 CA ASP A 18 13.367 -22.861 -1.746 1.00 28.10 C ATOM 141 C ASP A 18 14.134 -23.588 -0.631 1.00 27.54 C ATOM 142 O ASP A 18 15.082 -23.040 -0.076 1.00 28.39 O ATOM 143 CB ASP A 18 14.316 -22.516 -2.899 1.00 31.49 C ATOM 144 CG ASP A 18 14.939 -23.767 -3.582 1.00 36.64 C ATOM 145 OD1 ASP A 18 14.406 -24.942 -3.490 1.00 36.18 O ATOM 146 OD2 ASP A 18 15.987 -23.526 -4.244 1.00 39.86 O ATOM 0 H AASP A 18 13.024 -20.919 -1.538 0.50 24.88 H new ATOM 0 H BASP A 18 13.031 -20.918 -1.531 0.50 24.88 H new ATOM 0 HA ASP A 18 12.672 -23.439 -2.098 1.00 28.10 H new ATOM 0 HB2 ASP A 18 13.833 -22.000 -3.563 1.00 31.49 H new ATOM 0 HB3 ASP A 18 15.029 -21.950 -2.564 1.00 31.49 H new ATOM 147 N ASN A 19 13.670 -24.789 -0.305 1.00 25.32 N ATOM 148 CA ASN A 19 14.139 -25.594 0.827 1.00 24.87 C ATOM 149 C ASN A 19 13.931 -25.065 2.207 1.00 20.39 C ATOM 150 O ASN A 19 14.587 -25.491 3.131 1.00 19.08 O ATOM 151 CB ASN A 19 15.587 -26.041 0.609 1.00 29.28 C ATOM 152 CG ASN A 19 15.636 -27.158 -0.365 1.00 35.17 C ATOM 153 OD1 ASN A 19 15.126 -28.249 -0.060 1.00 37.85 O ATOM 154 ND2 ASN A 19 16.133 -26.886 -1.583 1.00 37.69 N ATOM 0 H ASN A 19 13.047 -25.177 -0.754 1.00 25.32 H new ATOM 0 HA ASN A 19 13.535 -26.353 0.814 1.00 24.87 H new ATOM 0 HB2 ASN A 19 16.117 -25.296 0.284 1.00 29.28 H new ATOM 0 HB3 ASN A 19 15.977 -26.321 1.452 1.00 29.28 H new ATOM 0 HD21 ASN A 19 16.108 -27.484 -2.201 1.00 37.69 H new ATOM 0 HD22 ASN A 19 16.476 -26.114 -1.745 1.00 37.69 H new ATOM 155 N TYR A 20 12.977 -24.165 2.362 1.00 19.74 N ATOM 156 CA TYR A 20 12.644 -23.661 3.674 1.00 19.65 C ATOM 157 C TYR A 20 11.945 -24.812 4.433 1.00 21.35 C ATOM 158 O TYR A 20 10.982 -25.426 3.902 1.00 21.13 O ATOM 159 CB TYR A 20 11.782 -22.420 3.545 1.00 19.44 C ATOM 160 CG TYR A 20 11.660 -21.757 4.865 1.00 19.32 C ATOM 161 CD1 TYR A 20 12.595 -20.803 5.291 1.00 21.29 C ATOM 162 CD2 TYR A 20 10.630 -22.088 5.709 1.00 20.16 C ATOM 163 CE1 TYR A 20 12.497 -20.198 6.551 1.00 21.42 C ATOM 164 CE2 TYR A 20 10.523 -21.506 6.980 1.00 22.66 C ATOM 165 CZ TYR A 20 11.460 -20.580 7.395 1.00 22.16 C ATOM 166 OH TYR A 20 11.313 -20.061 8.627 1.00 23.23 O ATOM 0 H TYR A 20 12.511 -23.834 1.719 1.00 19.74 H new ATOM 0 HA TYR A 20 13.429 -23.387 4.173 1.00 19.65 H new ATOM 0 HB2 TYR A 20 12.174 -21.809 2.901 1.00 19.44 H new ATOM 0 HB3 TYR A 20 10.903 -22.659 3.211 1.00 19.44 H new ATOM 0 HD1 TYR A 20 13.295 -20.567 4.726 1.00 21.29 H new ATOM 0 HD2 TYR A 20 9.993 -22.708 5.434 1.00 20.16 H new ATOM 0 HE1 TYR A 20 13.113 -19.554 6.817 1.00 21.42 H new ATOM 0 HE2 TYR A 20 9.822 -21.743 7.543 1.00 22.66 H new ATOM 0 HH TYR A 20 10.639 -20.401 8.996 1.00 23.23 H new ATOM 167 N AARG A 21 12.451 -25.086 5.636 0.50 21.44 N ATOM 168 N BARG A 21 12.382 -25.098 5.661 0.50 20.56 N ATOM 169 CA AARG A 21 12.173 -26.320 6.378 0.50 22.28 C ATOM 170 CA BARG A 21 12.034 -26.361 6.358 0.50 20.90 C ATOM 171 C AARG A 21 12.125 -27.549 5.465 0.50 21.38 C ATOM 172 C BARG A 21 12.110 -27.586 5.448 0.50 20.60 C ATOM 173 O AARG A 21 11.232 -28.410 5.572 0.50 21.66 O ATOM 174 O BARG A 21 11.261 -28.495 5.536 0.50 20.63 O ATOM 175 CB AARG A 21 10.897 -26.172 7.188 0.50 23.82 C ATOM 176 CB BARG A 21 10.631 -26.324 6.960 0.50 21.58 C ATOM 177 CG AARG A 21 10.823 -24.856 7.964 0.50 25.29 C ATOM 178 CG BARG A 21 10.504 -25.634 8.317 0.50 22.03 C ATOM 179 CD AARG A 21 11.703 -24.843 9.208 0.50 26.35 C ATOM 180 CD BARG A 21 11.477 -26.148 9.365 0.50 22.31 C ATOM 181 NE AARG A 21 11.380 -23.716 10.090 0.50 27.15 N ATOM 182 NE BARG A 21 11.653 -25.128 10.393 0.50 22.96 N ATOM 183 CZ AARG A 21 12.155 -22.654 10.271 0.50 26.73 C ATOM 184 CZ BARG A 21 11.204 -25.204 11.635 0.50 21.46 C ATOM 185 NH1AARG A 21 13.336 -22.578 9.670 0.50 26.21 N ATOM 186 NH1BARG A 21 10.590 -26.280 12.058 0.50 21.76 N ATOM 187 NH2AARG A 21 11.744 -21.679 11.075 0.50 27.61 N ATOM 188 NH2BARG A 21 11.402 -24.199 12.447 0.50 20.34 N ATOM 0 H AARG A 21 12.977 -24.549 6.053 0.50 20.56 H new ATOM 0 H BARG A 21 12.887 -24.574 6.119 0.50 20.56 H new ATOM 0 HA AARG A 21 12.909 -26.467 6.992 0.50 20.90 H new ATOM 0 HA BARG A 21 12.698 -26.438 7.061 0.50 20.90 H new ATOM 0 HB2AARG A 21 10.134 -26.232 6.592 0.50 21.58 H new ATOM 0 HB2BARG A 21 10.041 -25.877 6.333 0.50 21.58 H new ATOM 0 HB3AARG A 21 10.829 -26.912 7.811 0.50 21.58 H new ATOM 0 HB3BARG A 21 10.312 -27.236 7.049 0.50 21.58 H new ATOM 0 HG2AARG A 21 11.087 -24.128 7.380 0.50 22.03 H new ATOM 0 HG2BARG A 21 10.643 -24.681 8.199 0.50 22.03 H new ATOM 0 HG3AARG A 21 9.903 -24.692 8.224 0.50 22.03 H new ATOM 0 HG3BARG A 21 9.599 -25.750 8.645 0.50 22.03 H new ATOM 0 HD2AARG A 21 11.591 -25.676 9.693 0.50 22.31 H new ATOM 0 HD2BARG A 21 11.141 -26.967 9.761 0.50 22.31 H new ATOM 0 HD3AARG A 21 12.635 -24.791 8.945 0.50 22.31 H new ATOM 0 HD3BARG A 21 12.330 -26.360 8.955 0.50 22.31 H new ATOM 0 HE AARG A 21 10.636 -23.746 10.520 0.50 22.96 H new ATOM 0 HE BARG A 21 12.085 -24.418 10.173 0.50 22.96 H new ATOM 0 HH11AARG A 21 13.601 -23.218 9.161 0.50 21.76 H new ATOM 0 HH11BARG A 21 10.475 -26.946 11.527 0.50 21.76 H new ATOM 0 HH12AARG A 21 13.836 -21.888 9.789 0.50 21.76 H new ATOM 0 HH12BARG A 21 10.301 -26.320 12.867 0.50 21.76 H new ATOM 0 HH21AARG A 21 10.983 -21.740 11.471 0.50 20.34 H new ATOM 0 HH21BARG A 21 11.820 -23.500 12.172 0.50 20.34 H new ATOM 0 HH22AARG A 21 12.239 -20.987 11.199 0.50 20.34 H new ATOM 0 HH22BARG A 21 11.115 -24.237 13.257 0.50 20.34 H new ATOM 189 N GLY A 22 13.102 -27.628 4.573 1.00 18.77 N ATOM 190 CA GLY A 22 13.257 -28.785 3.717 1.00 19.19 C ATOM 191 C GLY A 22 12.282 -28.962 2.558 1.00 18.13 C ATOM 192 O GLY A 22 12.237 -30.020 1.962 1.00 17.83 O ATOM 0 H AGLY A 22 13.690 -27.013 4.449 0.50 18.77 H new ATOM 0 H BGLY A 22 13.686 -27.007 4.461 0.50 18.77 H new ATOM 0 HA2 GLY A 22 14.154 -28.762 3.348 1.00 19.19 H new ATOM 0 HA3 GLY A 22 13.200 -29.576 4.275 1.00 19.19 H new ATOM 193 N TYR A 23 11.511 -27.946 2.221 1.00 17.79 N ATOM 194 CA TYR A 23 10.570 -28.062 1.113 1.00 17.96 C ATOM 195 C TYR A 23 11.126 -27.365 -0.107 1.00 16.82 C ATOM 196 O TYR A 23 11.168 -26.147 -0.140 1.00 16.47 O ATOM 197 CB TYR A 23 9.188 -27.518 1.489 1.00 17.03 C ATOM 198 CG TYR A 23 8.502 -28.396 2.516 1.00 15.86 C ATOM 199 CD1 TYR A 23 7.750 -29.503 2.119 1.00 16.35 C ATOM 200 CD2 TYR A 23 8.665 -28.156 3.882 1.00 16.36 C ATOM 201 CE1 TYR A 23 7.129 -30.329 3.057 1.00 17.09 C ATOM 202 CE2 TYR A 23 8.044 -28.960 4.845 1.00 16.24 C ATOM 203 CZ TYR A 23 7.293 -30.064 4.420 1.00 17.01 C ATOM 204 OH TYR A 23 6.685 -30.899 5.319 1.00 16.81 O ATOM 0 H TYR A 23 11.513 -27.182 2.616 1.00 17.79 H new ATOM 0 HA TYR A 23 10.453 -29.002 0.905 1.00 17.96 H new ATOM 0 HB2 TYR A 23 9.278 -26.618 1.840 1.00 17.03 H new ATOM 0 HB3 TYR A 23 8.636 -27.458 0.694 1.00 17.03 H new ATOM 0 HD1 TYR A 23 7.661 -29.694 1.213 1.00 16.35 H new ATOM 0 HD2 TYR A 23 9.198 -27.446 4.158 1.00 16.36 H new ATOM 0 HE1 TYR A 23 6.611 -31.049 2.778 1.00 17.09 H new ATOM 0 HE2 TYR A 23 8.128 -28.765 5.750 1.00 16.24 H new ATOM 0 HH TYR A 23 6.628 -31.670 4.991 1.00 16.81 H new ATOM 205 N SER A 24 11.518 -28.159 -1.096 1.00 17.09 N ATOM 206 CA SER A 24 12.001 -27.665 -2.392 1.00 17.34 C ATOM 207 C SER A 24 11.021 -26.688 -2.993 1.00 18.74 C ATOM 208 O SER A 24 9.820 -26.738 -2.693 1.00 17.25 O ATOM 209 CB SER A 24 12.179 -28.806 -3.375 1.00 18.89 C ATOM 210 OG SER A 24 10.905 -29.288 -3.816 1.00 23.57 O ATOM 0 H SER A 24 11.513 -29.017 -1.037 1.00 17.09 H new ATOM 0 HA SER A 24 12.852 -27.229 -2.230 1.00 17.34 H new ATOM 0 HB2 SER A 24 12.699 -28.506 -4.137 1.00 18.89 H new ATOM 0 HB3 SER A 24 12.677 -29.526 -2.957 1.00 18.89 H new ATOM 0 HG SER A 24 10.854 -29.220 -4.652 1.00 23.57 H new ATOM 211 N LEU A 25 11.534 -25.831 -3.879 1.00 19.18 N ATOM 212 CA LEU A 25 10.742 -24.767 -4.504 1.00 19.87 C ATOM 213 C LEU A 25 9.492 -25.272 -5.199 1.00 18.02 C ATOM 214 O LEU A 25 8.456 -24.628 -5.151 1.00 18.08 O ATOM 215 CB LEU A 25 11.596 -23.982 -5.505 1.00 21.08 C ATOM 216 CG LEU A 25 11.122 -22.654 -6.127 1.00 22.15 C ATOM 217 CD1 LEU A 25 10.662 -21.612 -5.119 1.00 21.96 C ATOM 218 CD2 LEU A 25 12.302 -22.111 -6.948 1.00 22.01 C ATOM 0 H LEU A 25 12.355 -25.851 -4.136 1.00 19.18 H new ATOM 0 HA LEU A 25 10.453 -24.190 -3.780 1.00 19.87 H new ATOM 0 HB2 LEU A 25 12.441 -23.798 -5.066 1.00 21.08 H new ATOM 0 HB3 LEU A 25 11.784 -24.583 -6.242 1.00 21.08 H new ATOM 0 HG LEU A 25 10.337 -22.834 -6.667 1.00 22.15 H new ATOM 0 HD11 LEU A 25 10.381 -20.810 -5.587 1.00 21.96 H new ATOM 0 HD12 LEU A 25 9.917 -21.964 -4.606 1.00 21.96 H new ATOM 0 HD13 LEU A 25 11.393 -21.396 -4.520 1.00 21.96 H new ATOM 0 HD21 LEU A 25 12.049 -21.271 -7.361 1.00 22.01 H new ATOM 0 HD22 LEU A 25 13.064 -21.968 -6.365 1.00 22.01 H new ATOM 0 HD23 LEU A 25 12.539 -22.751 -7.637 1.00 22.01 H new ATOM 219 N GLY A 26 9.593 -26.397 -5.873 1.00 16.75 N ATOM 220 CA GLY A 26 8.440 -26.960 -6.548 1.00 16.46 C ATOM 221 C GLY A 26 7.233 -27.292 -5.682 1.00 15.80 C ATOM 222 O GLY A 26 6.096 -27.301 -6.169 1.00 14.44 O ATOM 0 H GLY A 26 10.318 -26.852 -5.954 1.00 16.75 H new ATOM 0 HA2 GLY A 26 8.157 -26.336 -7.235 1.00 16.46 H new ATOM 0 HA3 GLY A 26 8.720 -27.771 -7.000 1.00 16.46 H new ATOM 223 N ASN A 27 7.474 -27.622 -4.417 1.00 15.34 N ATOM 224 CA ASN A 27 6.383 -27.814 -3.454 1.00 16.00 C ATOM 225 C ASN A 27 5.577 -26.568 -3.258 1.00 16.53 C ATOM 226 O ASN A 27 4.359 -26.626 -3.189 1.00 18.15 O ATOM 227 CB ASN A 27 6.884 -28.283 -2.087 1.00 15.84 C ATOM 228 CG ASN A 27 7.283 -29.756 -2.110 1.00 15.52 C ATOM 229 OD1 ASN A 27 6.413 -30.628 -2.093 1.00 14.72 O ATOM 230 ND2 ASN A 27 8.599 -30.029 -2.176 1.00 14.81 N ATOM 0 H ASN A 27 8.261 -27.740 -4.092 1.00 15.34 H new ATOM 0 HA ASN A 27 5.823 -28.505 -3.842 1.00 16.00 H new ATOM 0 HB2 ASN A 27 7.645 -27.745 -1.819 1.00 15.84 H new ATOM 0 HB3 ASN A 27 6.191 -28.145 -1.423 1.00 15.84 H new ATOM 0 HD21 ASN A 27 8.868 -30.845 -2.209 1.00 14.81 H new ATOM 0 HD22 ASN A 27 9.171 -29.387 -2.185 1.00 14.81 H new ATOM 231 N TRP A 28 6.279 -25.453 -3.185 1.00 15.93 N ATOM 232 CA TRP A 28 5.653 -24.157 -2.929 1.00 16.59 C ATOM 233 C TRP A 28 4.852 -23.693 -4.121 1.00 16.06 C ATOM 234 O TRP A 28 3.761 -23.131 -3.955 1.00 16.32 O ATOM 235 CB TRP A 28 6.720 -23.097 -2.583 1.00 15.55 C ATOM 236 CG TRP A 28 7.389 -23.417 -1.287 1.00 15.95 C ATOM 237 CD1 TRP A 28 8.616 -23.992 -1.104 1.00 14.90 C ATOM 238 CD2 TRP A 28 6.808 -23.302 -0.015 1.00 15.00 C ATOM 239 NE1 TRP A 28 8.854 -24.179 0.214 1.00 15.30 N ATOM 240 CE2 TRP A 28 7.758 -23.762 0.916 1.00 15.57 C ATOM 241 CE3 TRP A 28 5.573 -22.844 0.440 1.00 14.59 C ATOM 242 CZ2 TRP A 28 7.520 -23.759 2.295 1.00 15.81 C ATOM 243 CZ3 TRP A 28 5.337 -22.839 1.797 1.00 15.18 C ATOM 244 CH2 TRP A 28 6.300 -23.327 2.718 1.00 15.25 C ATOM 0 H TRP A 28 7.133 -25.419 -3.282 1.00 15.93 H new ATOM 0 HA TRP A 28 5.053 -24.267 -2.175 1.00 16.59 H new ATOM 0 HB2 TRP A 28 7.382 -23.056 -3.291 1.00 15.55 H new ATOM 0 HB3 TRP A 28 6.306 -22.221 -2.530 1.00 15.55 H new ATOM 0 HD1 TRP A 28 9.203 -24.222 -1.788 1.00 14.90 H new ATOM 0 HE1 TRP A 28 9.574 -24.505 0.553 1.00 15.30 H new ATOM 0 HE3 TRP A 28 4.924 -22.549 -0.158 1.00 14.59 H new ATOM 0 HZ2 TRP A 28 8.169 -24.041 2.898 1.00 15.81 H new ATOM 0 HZ3 TRP A 28 4.529 -22.508 2.117 1.00 15.18 H new ATOM 0 HH2 TRP A 28 6.095 -23.352 3.625 1.00 15.25 H new ATOM 245 N VAL A 29 5.404 -23.912 -5.312 1.00 15.82 N ATOM 246 CA VAL A 29 4.757 -23.504 -6.560 1.00 14.83 C ATOM 247 C VAL A 29 3.528 -24.379 -6.799 1.00 14.55 C ATOM 248 O VAL A 29 2.487 -23.870 -7.205 1.00 15.22 O ATOM 249 CB VAL A 29 5.762 -23.562 -7.750 1.00 14.83 C ATOM 250 CG1 VAL A 29 5.084 -23.196 -9.074 1.00 14.16 C ATOM 251 CG2 VAL A 29 6.920 -22.600 -7.482 1.00 15.19 C ATOM 0 H VAL A 29 6.163 -24.301 -5.421 1.00 15.82 H new ATOM 0 HA VAL A 29 4.464 -22.582 -6.490 1.00 14.83 H new ATOM 0 HB VAL A 29 6.093 -24.471 -7.825 1.00 14.83 H new ATOM 0 HG11 VAL A 29 5.733 -23.241 -9.793 1.00 14.16 H new ATOM 0 HG12 VAL A 29 4.362 -23.819 -9.251 1.00 14.16 H new ATOM 0 HG13 VAL A 29 4.727 -22.296 -9.017 1.00 14.16 H new ATOM 0 HG21 VAL A 29 7.547 -22.634 -8.221 1.00 15.19 H new ATOM 0 HG22 VAL A 29 6.577 -21.697 -7.391 1.00 15.19 H new ATOM 0 HG23 VAL A 29 7.372 -22.857 -6.663 1.00 15.19 H new ATOM 252 N CYS A 30 3.648 -25.685 -6.553 1.00 14.46 N ATOM 253 CA CYS A 30 2.530 -26.612 -6.698 1.00 14.83 C ATOM 254 C CYS A 30 1.458 -26.160 -5.699 1.00 14.69 C ATOM 255 O CYS A 30 0.299 -26.124 -6.057 1.00 14.13 O ATOM 256 CB CYS A 30 2.952 -28.053 -6.408 1.00 14.23 C ATOM 257 SG CYS A 30 1.635 -29.265 -6.542 1.00 15.01 S ATOM 0 H CYS A 30 4.381 -26.056 -6.298 1.00 14.46 H new ATOM 0 HA CYS A 30 2.198 -26.600 -7.609 1.00 14.83 H new ATOM 0 HB2 CYS A 30 3.663 -28.298 -7.021 1.00 14.23 H new ATOM 0 HB3 CYS A 30 3.322 -28.094 -5.512 1.00 14.23 H new ATOM 258 N ALA A 31 1.855 -25.846 -4.455 1.00 14.26 N ATOM 259 CA ALA A 31 0.878 -25.368 -3.463 1.00 15.03 C ATOM 260 C ALA A 31 0.132 -24.130 -3.998 1.00 15.15 C ATOM 261 O ALA A 31 -1.093 -24.119 -4.074 1.00 15.28 O ATOM 262 CB ALA A 31 1.545 -25.065 -2.120 1.00 15.06 C ATOM 0 H ALA A 31 2.665 -25.901 -4.172 1.00 14.26 H new ATOM 0 HA ALA A 31 0.233 -26.077 -3.313 1.00 15.03 H new ATOM 0 HB1 ALA A 31 0.877 -24.753 -1.490 1.00 15.06 H new ATOM 0 HB2 ALA A 31 1.962 -25.871 -1.776 1.00 15.06 H new ATOM 0 HB3 ALA A 31 2.220 -24.379 -2.241 1.00 15.06 H new ATOM 263 N ALA A 32 0.877 -23.123 -4.454 1.00 15.07 N ATOM 264 CA ALA A 32 0.252 -21.904 -4.924 1.00 14.93 C ATOM 265 C ALA A 32 -0.697 -22.182 -6.088 1.00 15.25 C ATOM 266 O ALA A 32 -1.776 -21.591 -6.173 1.00 16.98 O ATOM 267 CB ALA A 32 1.302 -20.905 -5.340 1.00 14.67 C ATOM 0 H ALA A 32 1.736 -23.131 -4.497 1.00 15.07 H new ATOM 0 HA ALA A 32 -0.267 -21.534 -4.193 1.00 14.93 H new ATOM 0 HB1 ALA A 32 0.871 -20.094 -5.652 1.00 14.67 H new ATOM 0 HB2 ALA A 32 1.870 -20.698 -4.582 1.00 14.67 H new ATOM 0 HB3 ALA A 32 1.841 -21.280 -6.054 1.00 14.67 H new ATOM 268 N LYS A 33 -0.275 -23.044 -7.007 1.00 15.17 N ATOM 269 CA LYS A 33 -1.062 -23.384 -8.169 1.00 15.99 C ATOM 270 C LYS A 33 -2.442 -23.848 -7.755 1.00 15.52 C ATOM 271 O LYS A 33 -3.423 -23.321 -8.220 1.00 13.77 O ATOM 272 CB LYS A 33 -0.398 -24.478 -8.977 1.00 17.33 C ATOM 273 CG LYS A 33 -1.248 -24.984 -10.137 1.00 18.61 C ATOM 274 CD LYS A 33 -1.446 -23.942 -11.211 1.00 19.77 C ATOM 275 CE LYS A 33 -2.489 -24.359 -12.183 1.00 21.30 C ATOM 276 NZ LYS A 33 -2.512 -23.356 -13.264 1.00 24.27 N ATOM 0 H LYS A 33 0.483 -23.448 -6.967 1.00 15.17 H new ATOM 0 HA LYS A 33 -1.134 -22.586 -8.716 1.00 15.99 H new ATOM 0 HB2 LYS A 33 0.445 -24.146 -9.324 1.00 17.33 H new ATOM 0 HB3 LYS A 33 -0.190 -25.222 -8.390 1.00 17.33 H new ATOM 0 HG2 LYS A 33 -0.826 -25.767 -10.525 1.00 18.61 H new ATOM 0 HG3 LYS A 33 -2.113 -25.265 -9.801 1.00 18.61 H new ATOM 0 HD2 LYS A 33 -1.699 -23.099 -10.804 1.00 19.77 H new ATOM 0 HD3 LYS A 33 -0.609 -23.792 -11.677 1.00 19.77 H new ATOM 0 HE2 LYS A 33 -2.292 -25.240 -12.539 1.00 21.30 H new ATOM 0 HE3 LYS A 33 -3.356 -24.415 -11.751 1.00 21.30 H new ATOM 0 HZ1 LYS A 33 -2.844 -23.724 -14.003 1.00 24.27 H new ATOM 0 HZ2 LYS A 33 -3.022 -22.668 -13.020 1.00 24.27 H new ATOM 0 HZ3 LYS A 33 -1.684 -23.070 -13.422 1.00 24.27 H new ATOM 277 N PHE A 34 -2.503 -24.830 -6.870 1.00 15.41 N ATOM 278 CA PHE A 34 -3.782 -25.413 -6.497 1.00 16.76 C ATOM 279 C PHE A 34 -4.550 -24.591 -5.422 1.00 16.91 C ATOM 280 O PHE A 34 -5.781 -24.659 -5.375 1.00 17.33 O ATOM 281 CB PHE A 34 -3.603 -26.894 -6.098 1.00 17.19 C ATOM 282 CG PHE A 34 -3.158 -27.772 -7.241 1.00 17.96 C ATOM 283 CD1 PHE A 34 -3.815 -27.730 -8.469 1.00 19.08 C ATOM 284 CD2 PHE A 34 -2.089 -28.637 -7.096 1.00 18.31 C ATOM 285 CE1 PHE A 34 -3.403 -28.539 -9.533 1.00 19.29 C ATOM 286 CE2 PHE A 34 -1.672 -29.434 -8.145 1.00 20.05 C ATOM 287 CZ PHE A 34 -2.320 -29.369 -9.369 1.00 19.67 C ATOM 0 H PHE A 34 -1.820 -25.172 -6.475 1.00 15.41 H new ATOM 0 HA PHE A 34 -4.351 -25.379 -7.282 1.00 16.76 H new ATOM 0 HB2 PHE A 34 -2.952 -26.953 -5.381 1.00 17.19 H new ATOM 0 HB3 PHE A 34 -4.442 -27.231 -5.747 1.00 17.19 H new ATOM 0 HD1 PHE A 34 -4.538 -27.156 -8.583 1.00 19.08 H new ATOM 0 HD2 PHE A 34 -1.644 -28.683 -6.281 1.00 18.31 H new ATOM 0 HE1 PHE A 34 -3.858 -28.515 -10.344 1.00 19.29 H new ATOM 0 HE2 PHE A 34 -0.955 -30.015 -8.030 1.00 20.05 H new ATOM 0 HZ PHE A 34 -2.021 -29.888 -10.080 1.00 19.67 H new ATOM 288 N GLU A 35 -3.837 -23.822 -4.589 1.00 15.54 N ATOM 289 CA GLU A 35 -4.495 -22.930 -3.651 1.00 14.69 C ATOM 290 C GLU A 35 -5.180 -21.733 -4.369 1.00 14.74 C ATOM 291 O GLU A 35 -6.346 -21.455 -4.168 1.00 13.87 O ATOM 292 CB GLU A 35 -3.474 -22.445 -2.609 1.00 14.71 C ATOM 293 CG GLU A 35 -3.020 -23.542 -1.649 1.00 14.12 C ATOM 294 CD GLU A 35 -4.155 -24.069 -0.759 1.00 14.24 C ATOM 295 OE1 GLU A 35 -5.262 -23.486 -0.771 1.00 13.23 O ATOM 296 OE2 GLU A 35 -3.912 -25.042 -0.013 1.00 14.46 O ATOM 0 H GLU A 35 -2.978 -23.808 -4.558 1.00 15.54 H new ATOM 0 HA GLU A 35 -5.201 -23.421 -3.202 1.00 14.69 H new ATOM 0 HB2 GLU A 35 -2.699 -22.085 -3.068 1.00 14.71 H new ATOM 0 HB3 GLU A 35 -3.864 -21.718 -2.098 1.00 14.71 H new ATOM 0 HG2 GLU A 35 -2.648 -24.278 -2.160 1.00 14.12 H new ATOM 0 HG3 GLU A 35 -2.308 -23.198 -1.087 1.00 14.12 H new ATOM 297 N SER A 36 -4.456 -21.067 -5.251 1.00 14.91 N ATOM 298 CA SER A 36 -4.888 -19.795 -5.769 1.00 15.84 C ATOM 299 C SER A 36 -4.833 -19.677 -7.297 1.00 15.95 C ATOM 300 O SER A 36 -5.251 -18.630 -7.828 1.00 16.78 O ATOM 301 CB SER A 36 -4.019 -18.716 -5.176 1.00 16.09 C ATOM 302 OG SER A 36 -2.675 -18.832 -5.650 1.00 15.26 O ATOM 0 H SER A 36 -3.703 -21.342 -5.563 1.00 14.91 H new ATOM 0 HA SER A 36 -5.821 -19.702 -5.520 1.00 15.84 H new ATOM 0 HB2 SER A 36 -4.375 -17.844 -5.408 1.00 16.09 H new ATOM 0 HB3 SER A 36 -4.032 -18.779 -4.208 1.00 16.09 H new ATOM 0 HG SER A 36 -2.163 -18.991 -5.004 1.00 15.26 H new ATOM 303 N ASN A 37 -4.317 -20.689 -8.001 1.00 16.12 N ATOM 304 CA ASN A 37 -4.037 -20.529 -9.419 1.00 17.94 C ATOM 305 C ASN A 37 -3.122 -19.325 -9.679 1.00 18.21 C ATOM 306 O ASN A 37 -3.211 -18.670 -10.732 1.00 19.31 O ATOM 307 CB ASN A 37 -5.368 -20.423 -10.200 1.00 19.72 C ATOM 308 CG ASN A 37 -5.232 -20.820 -11.645 1.00 21.90 C ATOM 309 OD1 ASN A 37 -4.288 -21.484 -12.030 1.00 24.79 O ATOM 310 ND2 ASN A 37 -6.176 -20.393 -12.466 1.00 25.43 N ATOM 0 H ASN A 37 -4.126 -21.463 -7.677 1.00 16.12 H new ATOM 0 HA ASN A 37 -3.557 -21.310 -9.735 1.00 17.94 H new ATOM 0 HB2 ASN A 37 -6.033 -20.988 -9.775 1.00 19.72 H new ATOM 0 HB3 ASN A 37 -5.696 -19.511 -10.149 1.00 19.72 H new ATOM 0 HD21 ASN A 37 -6.135 -20.583 -13.304 1.00 25.43 H new ATOM 0 HD22 ASN A 37 -6.831 -19.925 -12.162 1.00 25.43 H new ATOM 311 N PHE A 38 -2.219 -19.068 -8.713 1.00 16.88 N ATOM 312 CA PHE A 38 -1.224 -18.026 -8.776 1.00 18.01 C ATOM 313 C PHE A 38 -1.806 -16.600 -8.701 1.00 17.27 C ATOM 314 O PHE A 38 -1.140 -15.639 -9.094 1.00 19.49 O ATOM 315 CB PHE A 38 -0.370 -18.125 -10.062 1.00 19.18 C ATOM 316 CG PHE A 38 0.304 -19.437 -10.284 1.00 18.94 C ATOM 317 CD1 PHE A 38 0.836 -20.186 -9.211 1.00 20.37 C ATOM 318 CD2 PHE A 38 0.514 -19.884 -11.578 1.00 19.24 C ATOM 319 CE1 PHE A 38 1.518 -21.369 -9.440 1.00 20.18 C ATOM 320 CE2 PHE A 38 1.208 -21.068 -11.818 1.00 19.70 C ATOM 321 CZ PHE A 38 1.693 -21.816 -10.752 1.00 21.37 C ATOM 0 H PHE A 38 -2.183 -19.523 -7.984 1.00 16.88 H new ATOM 0 HA PHE A 38 -0.676 -18.173 -7.990 1.00 18.01 H new ATOM 0 HB2 PHE A 38 -0.939 -17.938 -10.825 1.00 19.18 H new ATOM 0 HB3 PHE A 38 0.307 -17.431 -10.036 1.00 19.18 H new ATOM 0 HD1 PHE A 38 0.727 -19.881 -8.339 1.00 20.37 H new ATOM 0 HD2 PHE A 38 0.188 -19.388 -12.294 1.00 19.24 H new ATOM 0 HE1 PHE A 38 1.856 -21.861 -8.727 1.00 20.18 H new ATOM 0 HE2 PHE A 38 1.347 -21.357 -12.691 1.00 19.70 H new ATOM 0 HZ PHE A 38 2.136 -22.618 -10.913 1.00 21.37 H new ATOM 322 N ASN A 39 -3.019 -16.455 -8.212 1.00 15.22 N ATOM 323 CA ASN A 39 -3.666 -15.161 -8.136 1.00 15.28 C ATOM 324 C ASN A 39 -3.519 -14.680 -6.718 1.00 14.61 C ATOM 325 O ASN A 39 -4.058 -15.294 -5.803 1.00 14.39 O ATOM 326 CB ASN A 39 -5.133 -15.314 -8.475 1.00 16.34 C ATOM 327 CG ASN A 39 -5.857 -13.995 -8.636 1.00 16.83 C ATOM 328 OD1 ASN A 39 -5.364 -12.923 -8.327 1.00 17.43 O ATOM 329 ND2 ASN A 39 -7.052 -14.084 -9.173 1.00 19.65 N ATOM 0 H ASN A 39 -3.495 -17.106 -7.913 1.00 15.22 H new ATOM 0 HA ASN A 39 -3.269 -14.531 -8.758 1.00 15.28 H new ATOM 0 HB2 ASN A 39 -5.216 -15.823 -9.297 1.00 16.34 H new ATOM 0 HB3 ASN A 39 -5.567 -15.830 -7.777 1.00 16.34 H new ATOM 0 HD21 ASN A 39 -7.513 -13.372 -9.317 1.00 19.65 H new ATOM 0 HD22 ASN A 39 -7.374 -14.854 -9.381 1.00 19.65 H new ATOM 330 N THR A 40 -2.824 -13.563 -6.552 1.00 14.86 N ATOM 331 CA THR A 40 -2.616 -12.932 -5.279 1.00 15.28 C ATOM 332 C THR A 40 -3.911 -12.462 -4.624 1.00 14.67 C ATOM 333 O THR A 40 -3.973 -12.341 -3.428 1.00 14.27 O ATOM 334 CB THR A 40 -1.627 -11.713 -5.351 1.00 17.03 C ATOM 335 OG1 THR A 40 -2.177 -10.673 -6.165 1.00 18.71 O ATOM 336 CG2 THR A 40 -0.281 -12.124 -5.873 1.00 16.65 C ATOM 0 H THR A 40 -2.452 -13.145 -7.205 1.00 14.86 H new ATOM 0 HA THR A 40 -2.221 -13.630 -4.734 1.00 15.28 H new ATOM 0 HB THR A 40 -1.506 -11.379 -4.449 1.00 17.03 H new ATOM 0 HG1 THR A 40 -2.517 -10.082 -5.674 1.00 18.71 H new ATOM 0 HG21 THR A 40 0.304 -11.351 -5.905 1.00 16.65 H new ATOM 0 HG22 THR A 40 0.103 -12.795 -5.287 1.00 16.65 H new ATOM 0 HG23 THR A 40 -0.378 -12.492 -6.765 1.00 16.65 H new ATOM 337 N GLN A 41 -4.932 -12.193 -5.407 1.00 15.15 N ATOM 338 CA GLN A 41 -6.240 -11.731 -4.858 1.00 16.42 C ATOM 339 C GLN A 41 -7.258 -12.837 -4.589 1.00 14.59 C ATOM 340 O GLN A 41 -8.369 -12.537 -4.272 1.00 15.73 O ATOM 341 CB GLN A 41 -6.884 -10.715 -5.809 1.00 16.12 C ATOM 342 CG GLN A 41 -5.981 -9.602 -6.307 1.00 17.48 C ATOM 343 CD GLN A 41 -6.763 -8.398 -6.843 1.00 16.50 C ATOM 344 OE1 GLN A 41 -7.444 -7.698 -6.091 1.00 17.83 O ATOM 345 NE2 GLN A 41 -6.656 -8.153 -8.108 1.00 17.13 N ATOM 0 H GLN A 41 -4.912 -12.264 -6.264 1.00 15.15 H new ATOM 0 HA GLN A 41 -6.018 -11.338 -3.999 1.00 16.42 H new ATOM 0 HB2 GLN A 41 -7.231 -11.194 -6.578 1.00 16.12 H new ATOM 0 HB3 GLN A 41 -7.643 -10.314 -5.358 1.00 16.12 H new ATOM 0 HG2 GLN A 41 -5.404 -9.311 -5.584 1.00 17.48 H new ATOM 0 HG3 GLN A 41 -5.406 -9.947 -7.008 1.00 17.48 H new ATOM 0 HE21 GLN A 41 -6.172 -8.662 -8.605 1.00 17.13 H new ATOM 0 HE22 GLN A 41 -7.068 -7.481 -8.452 1.00 17.13 H new ATOM 346 N ALA A 42 -6.913 -14.102 -4.725 1.00 13.70 N ATOM 347 CA ALA A 42 -7.858 -15.180 -4.370 1.00 14.24 C ATOM 348 C ALA A 42 -8.223 -15.163 -2.867 1.00 13.64 C ATOM 349 O ALA A 42 -7.365 -14.955 -1.978 1.00 12.07 O ATOM 350 CB ALA A 42 -7.283 -16.539 -4.725 1.00 14.88 C ATOM 0 H ALA A 42 -6.150 -14.370 -5.016 1.00 13.70 H new ATOM 0 HA ALA A 42 -8.666 -15.021 -4.883 1.00 14.24 H new ATOM 0 HB1 ALA A 42 -7.918 -17.232 -4.484 1.00 14.88 H new ATOM 0 HB2 ALA A 42 -7.109 -16.578 -5.678 1.00 14.88 H new ATOM 0 HB3 ALA A 42 -6.455 -16.677 -4.239 1.00 14.88 H new ATOM 351 N THR A 43 -9.523 -15.300 -2.633 1.00 14.02 N ATOM 352 CA THR A 43 -10.108 -15.483 -1.322 1.00 14.67 C ATOM 353 C THR A 43 -11.111 -16.638 -1.374 1.00 15.78 C ATOM 354 O THR A 43 -11.786 -16.848 -2.390 1.00 15.08 O ATOM 355 CB THR A 43 -10.867 -14.251 -0.826 1.00 14.61 C ATOM 356 OG1 THR A 43 -11.994 -14.042 -1.667 1.00 15.04 O ATOM 357 CG2 THR A 43 -9.951 -12.978 -0.761 1.00 14.75 C ATOM 0 H THR A 43 -10.108 -15.288 -3.263 1.00 14.02 H new ATOM 0 HA THR A 43 -9.372 -15.658 -0.715 1.00 14.67 H new ATOM 0 HB THR A 43 -11.165 -14.410 0.083 1.00 14.61 H new ATOM 0 HG1 THR A 43 -11.741 -13.722 -2.401 1.00 15.04 H new ATOM 0 HG21 THR A 43 -10.469 -12.222 -0.443 1.00 14.75 H new ATOM 0 HG22 THR A 43 -9.212 -13.141 -0.154 1.00 14.75 H new ATOM 0 HG23 THR A 43 -9.605 -12.783 -1.646 1.00 14.75 H new ATOM 358 N AASN A 44 -11.205 -17.394 -0.297 0.50 15.21 N ATOM 359 N BASN A 44 -11.176 -17.378 -0.268 0.50 15.75 N ATOM 360 CA AASN A 44 -12.236 -18.408 -0.210 0.50 16.28 C ATOM 361 CA BASN A 44 -12.071 -18.521 -0.092 0.50 17.35 C ATOM 362 C AASN A 44 -12.691 -18.532 1.237 0.50 16.89 C ATOM 363 C BASN A 44 -12.681 -18.452 1.295 0.50 17.46 C ATOM 364 O AASN A 44 -11.879 -18.545 2.177 0.50 15.59 O ATOM 365 O BASN A 44 -11.942 -18.303 2.273 0.50 15.76 O ATOM 366 CB AASN A 44 -11.767 -19.730 -0.846 0.50 16.05 C ATOM 367 CB BASN A 44 -11.286 -19.824 -0.204 0.50 17.92 C ATOM 368 CG AASN A 44 -11.665 -19.640 -2.390 0.50 15.96 C ATOM 369 CG BASN A 44 -12.176 -21.047 -0.140 0.50 19.18 C ATOM 370 OD1AASN A 44 -12.663 -19.798 -3.111 0.50 13.79 O ATOM 371 OD1BASN A 44 -13.358 -20.981 -0.443 0.50 20.59 O ATOM 372 ND2AASN A 44 -10.440 -19.366 -2.894 0.50 15.72 N ATOM 373 ND2BASN A 44 -11.598 -22.175 0.241 0.50 20.98 N ATOM 0 H AASN A 44 -10.688 -17.338 0.388 0.50 15.75 H new ATOM 0 H BASN A 44 -10.686 -17.224 0.421 0.50 15.75 H new ATOM 0 HA AASN A 44 -13.014 -18.148 -0.728 0.50 17.35 H new ATOM 0 HA BASN A 44 -12.758 -18.495 -0.776 0.50 17.35 H new ATOM 0 HB2AASN A 44 -10.902 -19.972 -0.481 0.50 17.92 H new ATOM 0 HB2BASN A 44 -10.793 -19.830 -1.040 0.50 17.92 H new ATOM 0 HB3AASN A 44 -12.385 -20.438 -0.606 0.50 17.92 H new ATOM 0 HB3BASN A 44 -10.632 -19.866 0.511 0.50 17.92 H new ATOM 0 HD21AASN A 44 -10.331 -19.295 -3.744 0.50 20.98 H new ATOM 0 HD21BASN A 44 -12.057 -22.901 0.283 0.50 20.98 H new ATOM 0 HD22AASN A 44 -9.770 -19.263 -2.364 0.50 20.98 H new ATOM 0 HD22BASN A 44 -10.763 -22.182 0.447 0.50 20.98 H new ATOM 374 N ARG A 45 -14.005 -18.552 1.397 1.00 18.15 N ATOM 375 CA ARG A 45 -14.644 -18.535 2.706 1.00 20.71 C ATOM 376 C ARG A 45 -14.718 -19.958 3.201 1.00 20.10 C ATOM 377 O ARG A 45 -15.107 -20.835 2.465 1.00 18.86 O ATOM 378 CB ARG A 45 -16.051 -17.979 2.628 1.00 23.52 C ATOM 379 CG ARG A 45 -16.640 -17.727 4.010 1.00 27.91 C ATOM 380 CD ARG A 45 -15.894 -16.593 4.687 1.00 31.68 C ATOM 381 NE ARG A 45 -16.778 -15.537 5.151 1.00 42.68 N ATOM 382 CZ ARG A 45 -17.564 -14.776 4.380 1.00 45.06 C ATOM 383 NH1 ARG A 45 -17.638 -14.929 3.066 1.00 50.36 N ATOM 384 NH2 ARG A 45 -18.289 -13.828 4.948 1.00 54.03 N ATOM 0 H AARG A 45 -14.560 -18.576 0.740 0.50 18.15 H new ATOM 0 H BARG A 45 -14.542 -18.629 0.730 0.50 18.15 H new ATOM 0 HA ARG A 45 -14.127 -17.971 3.302 1.00 20.71 H new ATOM 0 HB2 ARG A 45 -16.043 -17.150 2.124 1.00 23.52 H new ATOM 0 HB3 ARG A 45 -16.617 -18.600 2.144 1.00 23.52 H new ATOM 0 HG2 ARG A 45 -17.581 -17.506 3.934 1.00 27.91 H new ATOM 0 HG3 ARG A 45 -16.580 -18.532 4.548 1.00 27.91 H new ATOM 0 HD2 ARG A 45 -15.393 -16.944 5.440 1.00 31.68 H new ATOM 0 HD3 ARG A 45 -15.249 -16.220 4.067 1.00 31.68 H new ATOM 0 HE ARG A 45 -16.798 -15.388 5.998 1.00 42.68 H new ATOM 0 HH11 ARG A 45 -17.170 -15.536 2.677 1.00 50.36 H new ATOM 0 HH12 ARG A 45 -18.154 -14.421 2.602 1.00 50.36 H new ATOM 0 HH21 ARG A 45 -18.251 -13.709 5.799 1.00 54.03 H new ATOM 0 HH22 ARG A 45 -18.799 -13.330 4.467 1.00 54.03 H new ATOM 385 N ASN A 46 -14.332 -20.175 4.448 1.00 22.20 N ATOM 386 CA ASN A 46 -14.455 -21.502 5.036 1.00 23.45 C ATOM 387 C ASN A 46 -15.826 -21.587 5.725 1.00 24.84 C ATOM 388 O ASN A 46 -16.431 -20.574 6.106 1.00 22.54 O ATOM 389 CB ASN A 46 -13.297 -21.773 6.006 1.00 24.04 C ATOM 390 CG ASN A 46 -11.926 -21.702 5.335 1.00 24.05 C ATOM 391 OD1 ASN A 46 -11.717 -22.305 4.294 1.00 29.34 O ATOM 392 ND2 ASN A 46 -10.994 -20.995 5.930 1.00 23.57 N ATOM 0 H ASN A 46 -13.999 -19.576 4.968 1.00 22.20 H new ATOM 0 HA ASN A 46 -14.401 -22.188 4.352 1.00 23.45 H new ATOM 0 HB2 ASN A 46 -13.331 -21.128 6.730 1.00 24.04 H new ATOM 0 HB3 ASN A 46 -13.412 -22.651 6.402 1.00 24.04 H new ATOM 0 HD21 ASN A 46 -10.207 -20.946 5.587 1.00 23.57 H new ATOM 0 HD22 ASN A 46 -11.171 -20.581 6.663 1.00 23.57 H new ATOM 393 N THR A 47 -16.293 -22.822 5.881 1.00 27.91 N ATOM 394 CA THR A 47 -17.565 -23.136 6.570 1.00 28.85 C ATOM 395 C THR A 47 -17.622 -22.606 8.000 1.00 27.07 C ATOM 396 O THR A 47 -18.693 -22.225 8.477 1.00 26.43 O ATOM 397 CB THR A 47 -17.820 -24.656 6.633 1.00 28.78 C ATOM 398 OG1 THR A 47 -16.720 -25.302 7.289 1.00 32.08 O ATOM 399 CG2 THR A 47 -17.975 -25.259 5.233 1.00 29.65 C ATOM 0 H THR A 47 -15.881 -23.518 5.589 1.00 27.91 H new ATOM 0 HA THR A 47 -18.246 -22.694 6.039 1.00 28.85 H new ATOM 0 HB THR A 47 -18.644 -24.796 7.126 1.00 28.78 H new ATOM 0 HG1 THR A 47 -16.861 -26.129 7.324 1.00 32.08 H new ATOM 0 HG21 THR A 47 -18.134 -26.213 5.307 1.00 29.65 H new ATOM 0 HG22 THR A 47 -18.725 -24.841 4.782 1.00 29.65 H new ATOM 0 HG23 THR A 47 -17.165 -25.105 4.723 1.00 29.65 H new ATOM 400 N ASP A 48 -16.475 -22.555 8.672 1.00 25.37 N ATOM 401 CA ASP A 48 -16.422 -22.077 10.048 1.00 25.27 C ATOM 402 C ASP A 48 -16.463 -20.552 10.175 1.00 23.89 C ATOM 403 O ASP A 48 -16.309 -20.014 11.307 1.00 23.74 O ATOM 404 CB ASP A 48 -15.181 -22.650 10.769 1.00 27.13 C ATOM 405 CG ASP A 48 -13.863 -21.940 10.379 1.00 28.56 C ATOM 406 OD1 ASP A 48 -13.690 -21.583 9.203 1.00 29.02 O ATOM 407 OD2 ASP A 48 -13.014 -21.714 11.267 1.00 32.04 O ATOM 0 H ASP A 48 -15.715 -22.793 8.347 1.00 25.37 H new ATOM 0 HA ASP A 48 -17.229 -22.401 10.478 1.00 25.27 H new ATOM 0 HB2 ASP A 48 -15.309 -22.576 11.728 1.00 27.13 H new ATOM 0 HB3 ASP A 48 -15.104 -23.595 10.565 1.00 27.13 H new ATOM 408 N GLY A 49 -16.606 -19.858 9.044 1.00 22.02 N ATOM 409 CA GLY A 49 -16.570 -18.400 8.998 1.00 20.59 C ATOM 410 C GLY A 49 -15.203 -17.728 8.844 1.00 19.28 C ATOM 411 O GLY A 49 -15.128 -16.510 8.712 1.00 20.83 O ATOM 0 H GLY A 49 -16.728 -20.226 8.276 1.00 22.02 H new ATOM 0 HA2 GLY A 49 -17.130 -18.110 8.261 1.00 20.59 H new ATOM 0 HA3 GLY A 49 -16.977 -18.065 9.812 1.00 20.59 H new ATOM 412 N SER A 50 -14.117 -18.484 8.838 1.00 16.49 N ATOM 413 CA SER A 50 -12.814 -17.932 8.576 1.00 15.55 C ATOM 414 C SER A 50 -12.650 -17.803 7.018 1.00 16.52 C ATOM 415 O SER A 50 -13.493 -18.317 6.201 1.00 17.38 O ATOM 416 CB SER A 50 -11.734 -18.814 9.204 1.00 14.69 C ATOM 417 OG SER A 50 -11.567 -20.044 8.516 1.00 13.87 O ATOM 0 H SER A 50 -14.121 -19.331 8.986 1.00 16.49 H new ATOM 0 HA SER A 50 -12.719 -17.053 8.975 1.00 15.55 H new ATOM 0 HB2 SER A 50 -10.891 -18.333 9.210 1.00 14.69 H new ATOM 0 HB3 SER A 50 -11.965 -18.993 10.129 1.00 14.69 H new ATOM 0 HG SER A 50 -12.206 -20.557 8.700 1.00 13.87 H new ATOM 418 N THR A 51 -11.574 -17.148 6.605 1.00 15.11 N ATOM 419 CA THR A 51 -11.322 -16.931 5.196 1.00 14.26 C ATOM 420 C THR A 51 -9.843 -17.190 4.856 1.00 14.54 C ATOM 421 O THR A 51 -8.929 -16.884 5.608 1.00 13.35 O ATOM 422 CB THR A 51 -11.766 -15.515 4.820 1.00 14.90 C ATOM 423 OG1 THR A 51 -13.165 -15.348 5.135 1.00 16.05 O ATOM 424 CG2 THR A 51 -11.556 -15.202 3.321 1.00 15.17 C ATOM 0 H THR A 51 -10.977 -16.821 7.130 1.00 15.11 H new ATOM 0 HA THR A 51 -11.838 -17.561 4.669 1.00 14.26 H new ATOM 0 HB THR A 51 -11.217 -14.901 5.332 1.00 14.90 H new ATOM 0 HG1 THR A 51 -13.255 -15.243 5.964 1.00 16.05 H new ATOM 0 HG21 THR A 51 -11.852 -14.297 3.135 1.00 15.17 H new ATOM 0 HG22 THR A 51 -10.615 -15.286 3.101 1.00 15.17 H new ATOM 0 HG23 THR A 51 -12.070 -15.826 2.785 1.00 15.17 H new ATOM 425 N ASP A 52 -9.618 -17.754 3.676 1.00 15.86 N ATOM 426 CA ASP A 52 -8.283 -17.934 3.125 1.00 15.47 C ATOM 427 C ASP A 52 -7.953 -16.823 2.128 1.00 15.64 C ATOM 428 O ASP A 52 -8.781 -16.452 1.309 1.00 15.08 O ATOM 429 CB ASP A 52 -8.188 -19.227 2.398 1.00 16.26 C ATOM 430 CG ASP A 52 -8.474 -20.401 3.256 1.00 18.33 C ATOM 431 OD1 ASP A 52 -8.359 -20.381 4.529 1.00 19.07 O ATOM 432 OD2 ASP A 52 -8.828 -21.382 2.592 1.00 20.88 O ATOM 0 H ASP A 52 -10.246 -18.047 3.166 1.00 15.86 H new ATOM 0 HA ASP A 52 -7.661 -17.915 3.869 1.00 15.47 H new ATOM 0 HB2 ASP A 52 -8.809 -19.219 1.653 1.00 16.26 H new ATOM 0 HB3 ASP A 52 -7.298 -19.316 2.024 1.00 16.26 H new ATOM 433 N TYR A 53 -6.730 -16.314 2.216 1.00 15.82 N ATOM 434 CA TYR A 53 -6.320 -15.086 1.537 1.00 15.23 C ATOM 435 C TYR A 53 -5.043 -15.330 0.803 1.00 15.58 C ATOM 436 O TYR A 53 -4.037 -15.840 1.388 1.00 13.79 O ATOM 437 CB TYR A 53 -6.071 -13.977 2.549 1.00 15.30 C ATOM 438 CG TYR A 53 -7.322 -13.482 3.226 1.00 15.14 C ATOM 439 CD1 TYR A 53 -7.705 -14.006 4.462 1.00 15.55 C ATOM 440 CD2 TYR A 53 -8.097 -12.468 2.660 1.00 15.48 C ATOM 441 CE1 TYR A 53 -8.828 -13.567 5.117 1.00 16.21 C ATOM 442 CE2 TYR A 53 -9.236 -12.003 3.321 1.00 15.67 C ATOM 443 CZ TYR A 53 -9.584 -12.570 4.568 1.00 16.17 C ATOM 444 OH TYR A 53 -10.694 -12.149 5.267 1.00 16.47 O ATOM 0 H TYR A 53 -6.103 -16.677 2.679 1.00 15.82 H new ATOM 0 HA TYR A 53 -7.027 -14.823 0.927 1.00 15.23 H new ATOM 0 HB2 TYR A 53 -5.453 -14.299 3.224 1.00 15.30 H new ATOM 0 HB3 TYR A 53 -5.639 -13.233 2.101 1.00 15.30 H new ATOM 0 HD1 TYR A 53 -7.185 -14.671 4.852 1.00 15.55 H new ATOM 0 HD2 TYR A 53 -7.854 -12.101 1.841 1.00 15.48 H new ATOM 0 HE1 TYR A 53 -9.073 -13.946 5.930 1.00 16.21 H new ATOM 0 HE2 TYR A 53 -9.758 -11.330 2.946 1.00 15.67 H new ATOM 0 HH TYR A 53 -10.800 -12.634 5.944 1.00 16.47 H new ATOM 445 N GLY A 54 -5.096 -15.002 -0.495 1.00 16.34 N ATOM 446 CA GLY A 54 -3.912 -14.816 -1.276 1.00 15.95 C ATOM 447 C GLY A 54 -3.311 -16.058 -1.894 1.00 16.93 C ATOM 448 O GLY A 54 -3.926 -17.145 -1.959 1.00 16.58 O ATOM 0 H GLY A 54 -5.829 -14.885 -0.930 1.00 16.34 H new ATOM 0 HA2 GLY A 54 -4.113 -14.189 -1.988 1.00 15.95 H new ATOM 0 HA3 GLY A 54 -3.239 -14.400 -0.714 1.00 15.95 H new ATOM 449 N ILE A 55 -2.082 -15.873 -2.348 1.00 17.59 N ATOM 450 CA ILE A 55 -1.424 -16.825 -3.240 1.00 18.93 C ATOM 451 C ILE A 55 -1.335 -18.233 -2.631 1.00 17.89 C ATOM 452 O ILE A 55 -1.435 -19.232 -3.334 1.00 16.06 O ATOM 453 CB ILE A 55 -0.046 -16.221 -3.697 1.00 21.57 C ATOM 454 CG1 ILE A 55 0.481 -16.924 -4.944 1.00 22.92 C ATOM 455 CG2 ILE A 55 0.980 -16.209 -2.563 1.00 22.11 C ATOM 456 CD1 ILE A 55 0.453 -16.054 -6.150 1.00 23.86 C ATOM 0 H ILE A 55 -1.600 -15.189 -2.149 1.00 17.59 H new ATOM 0 HA ILE A 55 -1.962 -16.958 -4.036 1.00 18.93 H new ATOM 0 HB ILE A 55 -0.201 -15.293 -3.935 1.00 21.57 H new ATOM 0 HG12 ILE A 55 1.391 -17.219 -4.784 1.00 22.92 H new ATOM 0 HG13 ILE A 55 -0.049 -17.719 -5.111 1.00 22.92 H new ATOM 0 HG21 ILE A 55 1.813 -15.830 -2.884 1.00 22.11 H new ATOM 0 HG22 ILE A 55 0.644 -15.673 -1.828 1.00 22.11 H new ATOM 0 HG23 ILE A 55 1.134 -17.116 -2.257 1.00 22.11 H new ATOM 0 HD11 ILE A 55 0.797 -16.546 -6.912 1.00 23.86 H new ATOM 0 HD12 ILE A 55 -0.459 -15.778 -6.329 1.00 23.86 H new ATOM 0 HD13 ILE A 55 1.004 -15.270 -5.997 1.00 23.86 H new ATOM 457 N LEU A 56 -1.174 -18.279 -1.298 1.00 17.92 N ATOM 458 CA LEU A 56 -1.133 -19.515 -0.547 1.00 17.25 C ATOM 459 C LEU A 56 -2.316 -19.711 0.406 1.00 16.66 C ATOM 460 O LEU A 56 -2.291 -20.621 1.241 1.00 18.19 O ATOM 461 CB LEU A 56 0.212 -19.614 0.193 1.00 17.51 C ATOM 462 CG LEU A 56 1.432 -19.873 -0.712 1.00 15.86 C ATOM 463 CD1 LEU A 56 2.723 -19.545 0.016 1.00 16.22 C ATOM 464 CD2 LEU A 56 1.393 -21.335 -1.114 1.00 15.94 C ATOM 0 H LEU A 56 -1.086 -17.576 -0.811 1.00 17.92 H new ATOM 0 HA LEU A 56 -1.214 -20.240 -1.187 1.00 17.25 H new ATOM 0 HB2 LEU A 56 0.358 -18.790 0.683 1.00 17.51 H new ATOM 0 HB3 LEU A 56 0.154 -20.327 0.848 1.00 17.51 H new ATOM 0 HG LEU A 56 1.400 -19.305 -1.498 1.00 15.86 H new ATOM 0 HD11 LEU A 56 3.477 -19.715 -0.570 1.00 16.22 H new ATOM 0 HD12 LEU A 56 2.720 -18.610 0.276 1.00 16.22 H new ATOM 0 HD13 LEU A 56 2.798 -20.100 0.808 1.00 16.22 H new ATOM 0 HD21 LEU A 56 2.150 -21.534 -1.687 1.00 15.94 H new ATOM 0 HD22 LEU A 56 1.434 -21.890 -0.320 1.00 15.94 H new ATOM 0 HD23 LEU A 56 0.569 -21.517 -1.593 1.00 15.94 H new ATOM 465 N GLN A 57 -3.389 -18.951 0.211 1.00 14.94 N ATOM 466 CA GLN A 57 -4.639 -19.174 0.898 1.00 14.11 C ATOM 467 C GLN A 57 -4.456 -19.336 2.413 1.00 14.33 C ATOM 468 O GLN A 57 -4.879 -20.330 2.989 1.00 13.46 O ATOM 469 CB GLN A 57 -5.370 -20.383 0.278 1.00 13.69 C ATOM 470 CG GLN A 57 -5.931 -20.111 -1.075 1.00 13.64 C ATOM 471 CD GLN A 57 -7.045 -19.079 -1.037 1.00 13.92 C ATOM 472 OE1 GLN A 57 -8.207 -19.414 -0.842 1.00 13.90 O ATOM 473 NE2 GLN A 57 -6.694 -17.814 -1.214 1.00 14.00 N ATOM 0 H GLN A 57 -3.404 -18.285 -0.332 1.00 14.94 H new ATOM 0 HA GLN A 57 -5.189 -18.384 0.780 1.00 14.11 H new ATOM 0 HB2 GLN A 57 -4.753 -21.129 0.220 1.00 13.69 H new ATOM 0 HB3 GLN A 57 -6.089 -20.655 0.869 1.00 13.69 H new ATOM 0 HG2 GLN A 57 -5.223 -19.799 -1.660 1.00 13.64 H new ATOM 0 HG3 GLN A 57 -6.270 -20.937 -1.455 1.00 13.64 H new ATOM 0 HE21 GLN A 57 -5.869 -17.611 -1.349 1.00 14.00 H new ATOM 0 HE22 GLN A 57 -7.291 -17.195 -1.194 1.00 14.00 H new ATOM 474 N ILE A 58 -3.749 -18.367 2.984 1.00 14.62 N ATOM 475 CA ILE A 58 -3.561 -18.220 4.448 1.00 15.89 C ATOM 476 C ILE A 58 -4.871 -17.807 5.191 1.00 16.35 C ATOM 477 O ILE A 58 -5.559 -16.820 4.854 1.00 15.97 O ATOM 478 CB ILE A 58 -2.317 -17.328 4.753 1.00 14.87 C ATOM 479 CG1 ILE A 58 -1.069 -18.092 4.307 1.00 16.93 C ATOM 480 CG2 ILE A 58 -2.185 -16.955 6.219 1.00 14.89 C ATOM 481 CD1 ILE A 58 0.208 -17.272 4.145 1.00 16.33 C ATOM 0 H ILE A 58 -3.351 -17.755 2.529 1.00 14.62 H new ATOM 0 HA ILE A 58 -3.361 -19.092 4.822 1.00 15.89 H new ATOM 0 HB ILE A 58 -2.424 -16.494 4.269 1.00 14.87 H new ATOM 0 HG12 ILE A 58 -0.898 -18.797 4.951 1.00 16.93 H new ATOM 0 HG13 ILE A 58 -1.263 -18.523 3.460 1.00 16.93 H new ATOM 0 HG21 ILE A 58 -1.397 -16.403 6.343 1.00 14.89 H new ATOM 0 HG22 ILE A 58 -2.972 -16.462 6.500 1.00 14.89 H new ATOM 0 HG23 ILE A 58 -2.102 -17.761 6.752 1.00 14.89 H new ATOM 0 HD11 ILE A 58 0.932 -17.852 3.861 1.00 16.33 H new ATOM 0 HD12 ILE A 58 0.067 -16.582 3.478 1.00 16.33 H new ATOM 0 HD13 ILE A 58 0.438 -16.860 4.993 1.00 16.33 H new ATOM 482 N ASN A 59 -5.161 -18.612 6.209 1.00 18.39 N ATOM 483 CA ASN A 59 -6.418 -18.663 6.939 1.00 20.69 C ATOM 484 C ASN A 59 -6.403 -17.674 8.122 1.00 18.59 C ATOM 485 O ASN A 59 -5.457 -17.623 8.929 1.00 17.26 O ATOM 486 CB ASN A 59 -6.688 -20.130 7.385 1.00 23.66 C ATOM 487 CG ASN A 59 -8.077 -20.371 7.993 1.00 27.89 C ATOM 488 OD1 ASN A 59 -8.732 -19.490 8.512 1.00 35.02 O ATOM 489 ND2 ASN A 59 -8.508 -21.609 7.955 1.00 33.53 N ATOM 0 H ASN A 59 -4.589 -19.180 6.509 1.00 18.39 H new ATOM 0 HA ASN A 59 -7.148 -18.386 6.364 1.00 20.69 H new ATOM 0 HB2 ASN A 59 -6.579 -20.714 6.618 1.00 23.66 H new ATOM 0 HB3 ASN A 59 -6.015 -20.387 8.035 1.00 23.66 H new ATOM 0 HD21 ASN A 59 -9.269 -21.810 8.302 1.00 33.53 H new ATOM 0 HD22 ASN A 59 -8.030 -22.219 7.583 1.00 33.53 H new ATOM 490 N SER A 60 -7.511 -16.945 8.222 1.00 18.68 N ATOM 491 CA SER A 60 -7.755 -15.982 9.267 1.00 18.64 C ATOM 492 C SER A 60 -8.014 -16.595 10.658 1.00 20.24 C ATOM 493 O SER A 60 -7.990 -15.875 11.687 1.00 16.90 O ATOM 494 CB SER A 60 -8.949 -15.132 8.903 1.00 18.23 C ATOM 495 OG SER A 60 -10.122 -15.889 8.878 1.00 16.32 O ATOM 0 H SER A 60 -8.159 -17.006 7.659 1.00 18.68 H new ATOM 0 HA SER A 60 -6.939 -15.462 9.333 1.00 18.64 H new ATOM 0 HB2 SER A 60 -9.042 -14.409 9.543 1.00 18.23 H new ATOM 0 HB3 SER A 60 -8.806 -14.725 8.034 1.00 18.23 H new ATOM 0 HG SER A 60 -10.696 -15.533 9.377 1.00 16.32 H new ATOM 496 N ARG A 61 -8.251 -17.905 10.686 1.00 22.70 N ATOM 497 CA ARG A 61 -8.461 -18.644 11.958 1.00 26.31 C ATOM 498 C ARG A 61 -7.271 -18.517 12.867 1.00 24.28 C ATOM 499 O ARG A 61 -7.436 -18.360 14.062 1.00 24.99 O ATOM 500 CB ARG A 61 -8.769 -20.104 11.667 1.00 29.42 C ATOM 501 CG ARG A 61 -8.958 -21.006 12.876 1.00 36.32 C ATOM 502 CD ARG A 61 -9.985 -20.535 13.874 1.00 41.20 C ATOM 503 NE ARG A 61 -11.316 -20.411 13.302 1.00 48.28 N ATOM 504 CZ ARG A 61 -12.354 -19.829 13.909 1.00 50.07 C ATOM 505 NH1 ARG A 61 -13.530 -19.774 13.272 1.00 46.54 N ATOM 506 NH2 ARG A 61 -12.223 -19.284 15.135 1.00 50.63 N ATOM 0 H ARG A 61 -8.297 -18.397 9.982 1.00 22.70 H new ATOM 0 HA ARG A 61 -9.219 -18.251 12.417 1.00 26.31 H new ATOM 0 HB2 ARG A 61 -9.575 -20.144 11.128 1.00 29.42 H new ATOM 0 HB3 ARG A 61 -8.049 -20.465 11.127 1.00 29.42 H new ATOM 0 HG2 ARG A 61 -9.211 -21.890 12.566 1.00 36.32 H new ATOM 0 HG3 ARG A 61 -8.105 -21.098 13.330 1.00 36.32 H new ATOM 0 HD2 ARG A 61 -10.015 -21.156 14.618 1.00 41.20 H new ATOM 0 HD3 ARG A 61 -9.711 -19.676 14.232 1.00 41.20 H new ATOM 0 HE ARG A 61 -11.444 -20.736 12.516 1.00 48.28 H new ATOM 0 HH11 ARG A 61 -13.609 -20.110 12.484 1.00 46.54 H new ATOM 0 HH12 ARG A 61 -14.207 -19.402 13.650 1.00 46.54 H new ATOM 0 HH21 ARG A 61 -11.463 -19.308 15.537 1.00 50.63 H new ATOM 0 HH22 ARG A 61 -12.899 -18.912 15.515 1.00 50.63 H new ATOM 507 N TRP A 62 -6.065 -18.535 12.297 1.00 23.09 N ATOM 508 CA TRP A 62 -4.817 -18.465 13.104 1.00 23.44 C ATOM 509 C TRP A 62 -3.841 -17.388 12.759 1.00 20.18 C ATOM 510 O TRP A 62 -3.042 -17.007 13.613 1.00 21.59 O ATOM 511 CB TRP A 62 -4.057 -19.768 12.963 1.00 25.07 C ATOM 512 CG TRP A 62 -4.835 -20.893 13.443 1.00 28.71 C ATOM 513 CD1 TRP A 62 -5.475 -21.841 12.689 1.00 31.09 C ATOM 514 CD2 TRP A 62 -5.091 -21.212 14.803 1.00 33.14 C ATOM 515 NE1 TRP A 62 -6.122 -22.736 13.514 1.00 32.49 N ATOM 516 CE2 TRP A 62 -5.901 -22.365 14.815 1.00 34.92 C ATOM 517 CE3 TRP A 62 -4.721 -20.628 16.020 1.00 35.55 C ATOM 518 CZ2 TRP A 62 -6.335 -22.944 15.990 1.00 38.83 C ATOM 519 CZ3 TRP A 62 -5.150 -21.206 17.188 1.00 37.63 C ATOM 520 CH2 TRP A 62 -5.942 -22.354 17.168 1.00 40.27 C ATOM 0 H TRP A 62 -5.936 -18.587 11.448 1.00 23.09 H new ATOM 0 HA TRP A 62 -5.143 -18.273 13.997 1.00 23.44 H new ATOM 0 HB2 TRP A 62 -3.824 -19.908 12.032 1.00 25.07 H new ATOM 0 HB3 TRP A 62 -3.225 -19.714 13.459 1.00 25.07 H new ATOM 0 HD1 TRP A 62 -5.473 -21.876 11.760 1.00 31.09 H new ATOM 0 HE1 TRP A 62 -6.586 -23.413 13.256 1.00 32.49 H new ATOM 0 HE3 TRP A 62 -4.194 -19.862 16.037 1.00 35.55 H new ATOM 0 HZ2 TRP A 62 -6.872 -23.703 15.985 1.00 38.83 H new ATOM 0 HZ3 TRP A 62 -4.910 -20.828 18.003 1.00 37.63 H new ATOM 0 HH2 TRP A 62 -6.212 -22.731 17.974 1.00 40.27 H new ATOM 521 N TRP A 63 -3.837 -16.934 11.511 1.00 18.24 N ATOM 522 CA TRP A 63 -2.610 -16.330 10.960 1.00 17.70 C ATOM 523 C TRP A 63 -2.712 -14.879 10.614 1.00 16.10 C ATOM 524 O TRP A 63 -1.695 -14.242 10.579 1.00 15.38 O ATOM 525 CB TRP A 63 -2.092 -17.117 9.739 1.00 17.60 C ATOM 526 CG TRP A 63 -1.949 -18.593 10.013 1.00 17.36 C ATOM 527 CD1 TRP A 63 -2.758 -19.619 9.539 1.00 18.05 C ATOM 528 CD2 TRP A 63 -0.968 -19.211 10.839 1.00 17.41 C ATOM 529 NE1 TRP A 63 -2.302 -20.834 10.013 1.00 16.97 N ATOM 530 CE2 TRP A 63 -1.213 -20.602 10.820 1.00 17.40 C ATOM 531 CE3 TRP A 63 0.133 -18.724 11.566 1.00 18.31 C ATOM 532 CZ2 TRP A 63 -0.421 -21.506 11.539 1.00 18.97 C ATOM 533 CZ3 TRP A 63 0.907 -19.603 12.263 1.00 18.40 C ATOM 534 CH2 TRP A 63 0.630 -20.984 12.258 1.00 19.35 C ATOM 0 H TRP A 63 -4.508 -16.960 10.974 1.00 18.24 H new ATOM 0 HA TRP A 63 -1.975 -16.387 11.691 1.00 17.70 H new ATOM 0 HB2 TRP A 63 -2.700 -16.988 8.994 1.00 17.60 H new ATOM 0 HB3 TRP A 63 -1.233 -16.758 9.469 1.00 17.60 H new ATOM 0 HD1 TRP A 63 -3.496 -19.505 8.985 1.00 18.05 H new ATOM 0 HE1 TRP A 63 -2.641 -21.604 9.834 1.00 16.97 H new ATOM 0 HE3 TRP A 63 0.330 -17.815 11.571 1.00 18.31 H new ATOM 0 HZ2 TRP A 63 -0.598 -22.419 11.531 1.00 18.97 H new ATOM 0 HZ3 TRP A 63 1.632 -19.285 12.751 1.00 18.40 H new ATOM 0 HH2 TRP A 63 1.170 -21.557 12.753 1.00 19.35 H new ATOM 535 N CYS A 64 -3.908 -14.351 10.360 1.00 15.68 N ATOM 536 CA CYS A 64 -4.032 -12.946 9.946 1.00 15.59 C ATOM 537 C CYS A 64 -5.309 -12.371 10.508 1.00 16.61 C ATOM 538 O CYS A 64 -6.196 -13.110 10.853 1.00 17.36 O ATOM 539 CB CYS A 64 -3.979 -12.797 8.420 1.00 15.10 C ATOM 540 SG CYS A 64 -5.324 -13.583 7.513 1.00 15.12 S ATOM 0 H CYS A 64 -4.652 -14.779 10.419 1.00 15.68 H new ATOM 0 HA CYS A 64 -3.277 -12.450 10.300 1.00 15.59 H new ATOM 0 HB2 CYS A 64 -3.974 -11.851 8.204 1.00 15.10 H new ATOM 0 HB3 CYS A 64 -3.139 -13.165 8.104 1.00 15.10 H new ATOM 541 N ASN A 65 -5.377 -11.043 10.648 1.00 17.78 N ATOM 542 CA ASN A 65 -6.584 -10.409 11.126 1.00 17.77 C ATOM 543 C ASN A 65 -7.428 -9.847 9.996 1.00 16.54 C ATOM 544 O ASN A 65 -6.950 -9.034 9.191 1.00 15.03 O ATOM 545 CB ASN A 65 -6.251 -9.281 12.098 1.00 19.13 C ATOM 546 CG ASN A 65 -7.497 -8.616 12.632 1.00 19.23 C ATOM 547 OD1 ASN A 65 -8.366 -9.275 13.189 1.00 19.10 O ATOM 548 ND2 ASN A 65 -7.618 -7.328 12.412 1.00 19.20 N ATOM 0 H ASN A 65 -4.732 -10.503 10.470 1.00 17.78 H new ATOM 0 HA ASN A 65 -7.096 -11.099 11.577 1.00 17.77 H new ATOM 0 HB2 ASN A 65 -5.730 -9.633 12.837 1.00 19.13 H new ATOM 0 HB3 ASN A 65 -5.698 -8.621 11.651 1.00 19.13 H new ATOM 0 HD21 ASN A 65 -8.329 -6.914 12.662 1.00 19.20 H new ATOM 0 HD22 ASN A 65 -6.986 -6.898 12.018 1.00 19.20 H new ATOM 549 N ASP A 66 -8.674 -10.296 9.938 1.00 15.93 N ATOM 550 CA ASP A 66 -9.668 -9.710 9.031 1.00 16.20 C ATOM 551 C ASP A 66 -10.833 -9.073 9.798 1.00 16.52 C ATOM 552 O ASP A 66 -11.742 -8.519 9.184 1.00 15.33 O ATOM 553 CB ASP A 66 -10.157 -10.690 7.922 1.00 15.22 C ATOM 554 CG ASP A 66 -10.877 -11.929 8.460 1.00 14.67 C ATOM 555 OD1 ASP A 66 -11.289 -11.977 9.651 1.00 13.25 O ATOM 556 OD2 ASP A 66 -11.026 -12.889 7.681 1.00 13.51 O ATOM 0 H ASP A 66 -8.972 -10.945 10.418 1.00 15.93 H new ATOM 0 HA ASP A 66 -9.208 -8.999 8.559 1.00 16.20 H new ATOM 0 HB2 ASP A 66 -10.754 -10.215 7.323 1.00 15.22 H new ATOM 0 HB3 ASP A 66 -9.394 -10.974 7.395 1.00 15.22 H new ATOM 557 N GLY A 67 -10.746 -9.059 11.123 1.00 18.35 N ATOM 558 CA GLY A 67 -11.766 -8.445 11.962 1.00 19.62 C ATOM 559 C GLY A 67 -13.091 -9.143 11.929 1.00 21.46 C ATOM 560 O GLY A 67 -14.085 -8.597 12.387 1.00 23.56 O ATOM 0 H GLY A 67 -10.092 -9.406 11.561 1.00 18.35 H new ATOM 0 HA2 GLY A 67 -11.447 -8.422 12.878 1.00 19.62 H new ATOM 0 HA3 GLY A 67 -11.890 -7.525 11.682 1.00 19.62 H new ATOM 561 N ARG A 68 -13.147 -10.373 11.421 1.00 22.22 N ATOM 562 CA ARG A 68 -14.426 -11.063 11.319 1.00 21.76 C ATOM 563 C ARG A 68 -14.335 -12.578 11.402 1.00 20.74 C ATOM 564 O ARG A 68 -15.130 -13.277 10.790 1.00 22.07 O ATOM 565 CB ARG A 68 -15.121 -10.631 10.025 1.00 24.61 C ATOM 566 CG ARG A 68 -14.476 -11.143 8.731 1.00 26.86 C ATOM 567 CD ARG A 68 -15.533 -11.412 7.695 1.00 30.48 C ATOM 568 NE ARG A 68 -15.096 -12.336 6.670 1.00 35.96 N ATOM 569 CZ ARG A 68 -15.557 -12.361 5.408 1.00 43.32 C ATOM 570 NH1 ARG A 68 -16.501 -11.498 5.006 1.00 46.12 N ATOM 571 NH2 ARG A 68 -15.069 -13.257 4.524 1.00 40.39 N ATOM 0 H ARG A 68 -12.468 -10.817 11.135 1.00 22.22 H new ATOM 0 HA ARG A 68 -14.947 -10.804 12.095 1.00 21.76 H new ATOM 0 HB2 ARG A 68 -16.041 -10.936 10.053 1.00 24.61 H new ATOM 0 HB3 ARG A 68 -15.144 -9.662 9.996 1.00 24.61 H new ATOM 0 HG2 ARG A 68 -13.844 -10.488 8.396 1.00 26.86 H new ATOM 0 HG3 ARG A 68 -13.975 -11.954 8.910 1.00 26.86 H new ATOM 0 HD2 ARG A 68 -16.323 -11.769 8.131 1.00 30.48 H new ATOM 0 HD3 ARG A 68 -15.793 -10.575 7.280 1.00 30.48 H new ATOM 0 HE ARG A 68 -14.496 -12.913 6.885 1.00 35.96 H new ATOM 0 HH11 ARG A 68 -16.818 -10.920 5.558 1.00 46.12 H new ATOM 0 HH12 ARG A 68 -16.789 -11.522 4.196 1.00 46.12 H new ATOM 0 HH21 ARG A 68 -14.461 -13.814 4.768 1.00 40.39 H new ATOM 0 HH22 ARG A 68 -15.366 -13.271 3.717 1.00 40.39 H new ATOM 572 N THR A 69 -13.377 -13.085 12.165 1.00 19.55 N ATOM 573 CA THR A 69 -13.300 -14.498 12.476 1.00 19.37 C ATOM 574 C THR A 69 -13.284 -14.615 14.020 1.00 21.32 C ATOM 575 O THR A 69 -12.212 -14.696 14.622 1.00 19.05 O ATOM 576 CB THR A 69 -12.029 -15.133 11.855 1.00 20.22 C ATOM 577 OG1 THR A 69 -11.898 -14.677 10.493 1.00 18.22 O ATOM 578 CG2 THR A 69 -12.073 -16.698 11.965 1.00 18.44 C ATOM 0 H THR A 69 -12.750 -12.613 12.518 1.00 19.55 H new ATOM 0 HA THR A 69 -14.057 -14.976 12.104 1.00 19.37 H new ATOM 0 HB THR A 69 -11.242 -14.851 12.347 1.00 20.22 H new ATOM 0 HG1 THR A 69 -11.640 -13.878 10.489 1.00 18.22 H new ATOM 0 HG21 THR A 69 -11.270 -17.073 11.571 1.00 18.44 H new ATOM 0 HG22 THR A 69 -12.125 -16.956 12.899 1.00 18.44 H new ATOM 0 HG23 THR A 69 -12.851 -17.034 11.493 1.00 18.44 H new ATOM 579 N PRO A 70 -14.483 -14.601 14.659 1.00 21.85 N ATOM 580 CA PRO A 70 -14.575 -14.697 16.119 1.00 21.98 C ATOM 581 C PRO A 70 -13.655 -15.737 16.720 1.00 22.83 C ATOM 582 O PRO A 70 -13.587 -16.875 16.233 1.00 24.86 O ATOM 583 CB PRO A 70 -16.046 -15.050 16.338 1.00 22.18 C ATOM 584 CG PRO A 70 -16.743 -14.297 15.253 1.00 21.73 C ATOM 585 CD PRO A 70 -15.822 -14.395 14.058 1.00 21.02 C ATOM 0 HA PRO A 70 -14.295 -13.878 16.556 1.00 21.98 H new ATOM 0 HB2 PRO A 70 -16.200 -16.005 16.267 1.00 22.18 H new ATOM 0 HB3 PRO A 70 -16.353 -14.778 17.217 1.00 22.18 H new ATOM 0 HG2 PRO A 70 -17.612 -14.682 15.060 1.00 21.73 H new ATOM 0 HG3 PRO A 70 -16.893 -13.373 15.507 1.00 21.73 H new ATOM 0 HD2 PRO A 70 -16.069 -15.132 13.478 1.00 21.02 H new ATOM 0 HD3 PRO A 70 -15.850 -13.589 13.520 1.00 21.02 H new ATOM 586 N GLY A 71 -12.922 -15.323 17.748 1.00 24.28 N ATOM 587 CA GLY A 71 -12.017 -16.199 18.495 1.00 25.92 C ATOM 588 C GLY A 71 -10.680 -16.499 17.822 1.00 27.98 C ATOM 589 O GLY A 71 -9.880 -17.257 18.362 1.00 31.12 O ATOM 0 H GLY A 71 -12.935 -14.513 18.038 1.00 24.28 H new ATOM 0 HA2 GLY A 71 -11.842 -15.794 19.359 1.00 25.92 H new ATOM 0 HA3 GLY A 71 -12.472 -17.039 18.662 1.00 25.92 H new ATOM 590 N SER A 72 -10.434 -15.928 16.638 1.00 25.05 N ATOM 591 CA SER A 72 -9.270 -16.299 15.858 1.00 24.27 C ATOM 592 C SER A 72 -8.056 -15.573 16.396 1.00 24.48 C ATOM 593 O SER A 72 -8.168 -14.599 17.162 1.00 24.89 O ATOM 594 CB SER A 72 -9.457 -15.903 14.413 1.00 22.41 C ATOM 595 OG SER A 72 -9.447 -14.509 14.312 1.00 21.14 O ATOM 0 H SER A 72 -10.932 -15.327 16.277 1.00 25.05 H new ATOM 0 HA SER A 72 -9.150 -17.260 15.919 1.00 24.27 H new ATOM 0 HB2 SER A 72 -8.750 -16.282 13.869 1.00 22.41 H new ATOM 0 HB3 SER A 72 -10.295 -16.256 14.076 1.00 22.41 H new ATOM 0 HG SER A 72 -10.234 -14.219 14.360 1.00 21.14 H new ATOM 596 N ARG A 73 -6.909 -16.046 15.954 1.00 23.51 N ATOM 597 CA ARG A 73 -5.631 -15.437 16.264 1.00 24.15 C ATOM 598 C ARG A 73 -5.138 -14.706 15.059 1.00 21.44 C ATOM 599 O ARG A 73 -5.708 -14.870 13.983 1.00 20.47 O ATOM 600 CB ARG A 73 -4.659 -16.532 16.635 1.00 26.13 C ATOM 601 CG ARG A 73 -5.150 -17.408 17.788 1.00 30.60 C ATOM 602 CD ARG A 73 -5.245 -16.618 19.087 1.00 33.19 C ATOM 603 NE ARG A 73 -3.948 -16.014 19.412 1.00 37.60 N ATOM 604 CZ ARG A 73 -3.026 -16.540 20.225 1.00 40.22 C ATOM 605 NH1 ARG A 73 -3.238 -17.682 20.874 1.00 40.38 N ATOM 606 NH2 ARG A 73 -1.870 -15.897 20.406 1.00 43.88 N ATOM 0 H ARG A 73 -6.848 -16.744 15.455 1.00 23.51 H new ATOM 0 HA ARG A 73 -5.718 -14.813 17.002 1.00 24.15 H new ATOM 0 HB2 ARG A 73 -4.498 -17.090 15.858 1.00 26.13 H new ATOM 0 HB3 ARG A 73 -3.809 -16.133 16.879 1.00 26.13 H new ATOM 0 HG2 ARG A 73 -6.020 -17.777 17.568 1.00 30.60 H new ATOM 0 HG3 ARG A 73 -4.546 -18.157 17.907 1.00 30.60 H new ATOM 0 HD2 ARG A 73 -5.919 -15.926 19.003 1.00 33.19 H new ATOM 0 HD3 ARG A 73 -5.527 -17.202 19.808 1.00 33.19 H new ATOM 0 HE ARG A 73 -3.765 -15.256 19.048 1.00 37.60 H new ATOM 0 HH11 ARG A 73 -3.983 -18.101 20.776 1.00 40.38 H new ATOM 0 HH12 ARG A 73 -2.630 -18.002 21.392 1.00 40.38 H new ATOM 0 HH21 ARG A 73 -1.724 -15.152 20.002 1.00 43.88 H new ATOM 0 HH22 ARG A 73 -1.271 -16.228 20.927 1.00 43.88 H new ATOM 607 N ASN A 74 -4.079 -13.923 15.250 1.00 20.26 N ATOM 608 CA ASN A 74 -3.347 -13.213 14.176 1.00 19.92 C ATOM 609 C ASN A 74 -1.847 -13.452 14.344 1.00 19.90 C ATOM 610 O ASN A 74 -1.061 -12.524 14.633 1.00 17.32 O ATOM 611 CB ASN A 74 -3.696 -11.731 14.166 1.00 19.77 C ATOM 612 CG ASN A 74 -2.912 -10.902 13.134 1.00 19.70 C ATOM 613 OD1 ASN A 74 -2.288 -11.409 12.204 1.00 17.33 O ATOM 614 ND2 ASN A 74 -2.951 -9.577 13.310 1.00 21.14 N ATOM 0 H ASN A 74 -3.749 -13.780 16.031 1.00 20.26 H new ATOM 0 HA ASN A 74 -3.616 -13.565 13.313 1.00 19.92 H new ATOM 0 HB2 ASN A 74 -4.645 -11.634 13.989 1.00 19.77 H new ATOM 0 HB3 ASN A 74 -3.533 -11.365 15.050 1.00 19.77 H new ATOM 0 HD21 ASN A 74 -2.533 -9.058 12.766 1.00 21.14 H new ATOM 0 HD22 ASN A 74 -3.394 -9.243 13.967 1.00 21.14 H new ATOM 615 N LEU A 75 -1.445 -14.703 14.135 1.00 20.10 N ATOM 616 CA LEU A 75 -0.087 -15.103 14.524 1.00 21.33 C ATOM 617 C LEU A 75 0.995 -14.516 13.635 1.00 21.72 C ATOM 618 O LEU A 75 2.130 -14.319 14.105 1.00 23.65 O ATOM 619 CB LEU A 75 0.052 -16.622 14.660 1.00 22.35 C ATOM 620 CG LEU A 75 -0.757 -17.298 15.783 1.00 23.20 C ATOM 621 CD1 LEU A 75 -0.791 -18.813 15.562 1.00 23.65 C ATOM 622 CD2 LEU A 75 -0.202 -16.960 17.176 1.00 23.59 C ATOM 0 H LEU A 75 -1.924 -15.322 13.780 1.00 20.10 H new ATOM 0 HA LEU A 75 0.053 -14.719 15.403 1.00 21.33 H new ATOM 0 HB2 LEU A 75 -0.207 -17.026 13.817 1.00 22.35 H new ATOM 0 HB3 LEU A 75 0.990 -16.828 14.797 1.00 22.35 H new ATOM 0 HG LEU A 75 -1.662 -16.952 15.749 1.00 23.20 H new ATOM 0 HD11 LEU A 75 -1.302 -19.232 16.272 1.00 23.65 H new ATOM 0 HD12 LEU A 75 -1.207 -19.006 14.707 1.00 23.65 H new ATOM 0 HD13 LEU A 75 0.114 -19.161 15.566 1.00 23.65 H new ATOM 0 HD21 LEU A 75 -0.736 -17.403 17.854 1.00 23.59 H new ATOM 0 HD22 LEU A 75 0.717 -17.263 17.241 1.00 23.59 H new ATOM 0 HD23 LEU A 75 -0.236 -16.000 17.314 1.00 23.59 H new ATOM 623 N CYS A 76 0.670 -14.185 12.387 1.00 19.93 N ATOM 624 CA CYS A 76 1.631 -13.440 11.559 1.00 20.96 C ATOM 625 C CYS A 76 1.643 -11.894 11.818 1.00 22.36 C ATOM 626 O CYS A 76 2.462 -11.181 11.228 1.00 21.50 O ATOM 627 CB CYS A 76 1.470 -13.779 10.074 1.00 20.32 C ATOM 628 SG CYS A 76 1.786 -15.536 9.720 1.00 20.24 S ATOM 0 H CYS A 76 -0.077 -14.373 12.005 1.00 19.93 H new ATOM 0 HA CYS A 76 2.508 -13.742 11.841 1.00 20.96 H new ATOM 0 HB2 CYS A 76 0.571 -13.552 9.789 1.00 20.32 H new ATOM 0 HB3 CYS A 76 2.079 -13.233 9.553 1.00 20.32 H new ATOM 629 N AASN A 77 0.776 -11.408 12.716 0.50 23.37 N ATOM 630 N BASN A 77 0.739 -11.403 12.661 0.50 22.39 N ATOM 631 CA AASN A 77 0.605 -9.956 13.021 0.50 24.24 C ATOM 632 CA BASN A 77 0.700 -9.975 13.004 0.50 22.59 C ATOM 633 C AASN A 77 0.505 -9.112 11.763 0.50 22.96 C ATOM 634 C BASN A 77 0.519 -9.107 11.758 0.50 22.06 C ATOM 635 O AASN A 77 1.287 -8.201 11.547 0.50 23.19 O ATOM 636 O BASN A 77 1.264 -8.166 11.545 0.50 22.40 O ATOM 637 CB AASN A 77 1.696 -9.412 13.979 0.50 24.38 C ATOM 638 CB BASN A 77 1.965 -9.580 13.815 0.50 21.41 C ATOM 639 CG AASN A 77 1.192 -8.249 14.860 0.50 24.93 C ATOM 640 CG BASN A 77 2.078 -10.342 15.131 0.50 20.79 C ATOM 641 OD1AASN A 77 1.814 -7.186 14.924 0.50 26.13 O ATOM 642 OD1BASN A 77 1.151 -10.354 15.918 0.50 20.82 O ATOM 643 ND2AASN A 77 0.069 -8.454 15.544 0.50 24.54 N ATOM 644 ND2BASN A 77 3.222 -10.968 15.372 0.50 20.42 N ATOM 0 H AASN A 77 0.257 -11.914 13.179 0.50 22.39 H new ATOM 0 H BASN A 77 0.136 -11.878 13.048 0.50 22.39 H new ATOM 0 HA AASN A 77 -0.242 -9.882 13.488 0.50 22.59 H new ATOM 0 HA BASN A 77 -0.073 -9.814 13.567 0.50 22.59 H new ATOM 0 HB2AASN A 77 2.009 -10.132 14.549 0.50 21.41 H new ATOM 0 HB2BASN A 77 2.755 -9.749 13.278 0.50 21.41 H new ATOM 0 HB3AASN A 77 2.457 -9.112 13.458 0.50 21.41 H new ATOM 0 HB3BASN A 77 1.944 -8.627 13.997 0.50 21.41 H new ATOM 0 HD21AASN A 77 -0.245 -7.834 16.051 0.50 20.42 H new ATOM 0 HD21BASN A 77 3.328 -11.403 16.107 0.50 20.42 H new ATOM 0 HD22AASN A 77 -0.343 -9.206 15.479 0.50 20.42 H new ATOM 0 HD22BASN A 77 3.858 -10.939 14.794 0.50 20.42 H new ATOM 645 N ILE A 78 -0.462 -9.464 10.926 1.00 24.17 N ATOM 646 CA ILE A 78 -0.783 -8.712 9.710 1.00 23.05 C ATOM 647 C ILE A 78 -2.280 -8.655 9.482 1.00 23.86 C ATOM 648 O ILE A 78 -3.008 -9.585 9.860 1.00 24.01 O ATOM 649 CB ILE A 78 -0.183 -9.344 8.446 1.00 26.13 C ATOM 650 CG1 ILE A 78 -0.365 -10.866 8.473 1.00 27.13 C ATOM 651 CG2 ILE A 78 1.293 -8.952 8.286 1.00 27.55 C ATOM 652 CD1 ILE A 78 -0.216 -11.519 7.117 1.00 29.15 C ATOM 0 H AILE A 78 -0.960 -10.155 11.046 0.50 24.17 H new ATOM 0 H BILE A 78 -0.962 -10.152 11.052 0.50 24.17 H new ATOM 0 HA ILE A 78 -0.407 -7.829 9.853 1.00 23.05 H new ATOM 0 HB ILE A 78 -0.657 -9.002 7.672 1.00 26.13 H new ATOM 0 HG12 ILE A 78 0.285 -11.251 9.082 1.00 27.13 H new ATOM 0 HG13 ILE A 78 -1.244 -11.073 8.828 1.00 27.13 H new ATOM 0 HG21 ILE A 78 1.651 -9.361 7.483 1.00 27.55 H new ATOM 0 HG22 ILE A 78 1.366 -7.987 8.217 1.00 27.55 H new ATOM 0 HG23 ILE A 78 1.795 -9.260 9.057 1.00 27.55 H new ATOM 0 HD11 ILE A 78 -0.342 -12.477 7.203 1.00 29.15 H new ATOM 0 HD12 ILE A 78 -0.881 -11.159 6.510 1.00 29.15 H new ATOM 0 HD13 ILE A 78 0.671 -11.340 6.767 1.00 29.15 H new ATOM 653 N PRO A 79 -2.745 -7.572 8.828 1.00 22.08 N ATOM 654 CA PRO A 79 -4.089 -7.620 8.255 1.00 20.69 C ATOM 655 C PRO A 79 -4.155 -8.625 7.116 1.00 17.14 C ATOM 656 O PRO A 79 -3.250 -8.689 6.300 1.00 16.76 O ATOM 657 CB PRO A 79 -4.318 -6.193 7.752 1.00 19.80 C ATOM 658 CG PRO A 79 -2.960 -5.610 7.561 1.00 21.51 C ATOM 659 CD PRO A 79 -2.012 -6.347 8.452 1.00 21.79 C ATOM 0 HA PRO A 79 -4.764 -7.903 8.892 1.00 20.69 H new ATOM 0 HB2 PRO A 79 -4.817 -6.193 6.920 1.00 19.80 H new ATOM 0 HB3 PRO A 79 -4.832 -5.676 8.392 1.00 19.80 H new ATOM 0 HG2 PRO A 79 -2.685 -5.688 6.634 1.00 21.51 H new ATOM 0 HG3 PRO A 79 -2.963 -4.664 7.777 1.00 21.51 H new ATOM 0 HD2 PRO A 79 -1.184 -6.557 7.992 1.00 21.79 H new ATOM 0 HD3 PRO A 79 -1.778 -5.821 9.232 1.00 21.79 H new ATOM 660 N CYS A 80 -5.210 -9.425 7.058 1.00 15.83 N ATOM 661 CA CYS A 80 -5.296 -10.447 5.991 1.00 15.09 C ATOM 662 C CYS A 80 -5.203 -9.840 4.602 1.00 16.06 C ATOM 663 O CYS A 80 -4.762 -10.505 3.674 1.00 14.26 O ATOM 664 CB CYS A 80 -6.566 -11.280 6.074 1.00 14.60 C ATOM 665 SG CYS A 80 -6.806 -12.178 7.639 1.00 14.51 S ATOM 0 H CYS A 80 -5.875 -9.405 7.603 1.00 15.83 H new ATOM 0 HA CYS A 80 -4.532 -11.026 6.139 1.00 15.09 H new ATOM 0 HB2 CYS A 80 -7.328 -10.696 5.933 1.00 14.60 H new ATOM 0 HB3 CYS A 80 -6.562 -11.922 5.347 1.00 14.60 H new ATOM 666 N SER A 81 -5.611 -8.572 4.465 1.00 16.26 N ATOM 667 CA SER A 81 -5.503 -7.859 3.193 1.00 17.30 C ATOM 668 C SER A 81 -4.074 -7.710 2.705 1.00 17.48 C ATOM 669 O SER A 81 -3.867 -7.549 1.515 1.00 18.08 O ATOM 670 CB SER A 81 -6.146 -6.470 3.318 1.00 17.32 C ATOM 671 OG SER A 81 -5.452 -5.672 4.260 1.00 17.84 O ATOM 0 H SER A 81 -5.954 -8.108 5.103 1.00 16.26 H new ATOM 0 HA SER A 81 -5.972 -8.397 2.536 1.00 17.30 H new ATOM 0 HB2 SER A 81 -6.145 -6.030 2.453 1.00 17.32 H new ATOM 0 HB3 SER A 81 -7.073 -6.562 3.588 1.00 17.32 H new ATOM 0 HG SER A 81 -4.754 -5.366 3.908 1.00 17.84 H new ATOM 672 N ALA A 82 -3.093 -7.745 3.605 1.00 18.69 N ATOM 673 CA ALA A 82 -1.678 -7.710 3.201 1.00 20.69 C ATOM 674 C ALA A 82 -1.324 -8.922 2.363 1.00 19.98 C ATOM 675 O ALA A 82 -0.422 -8.859 1.555 1.00 22.60 O ATOM 676 CB ALA A 82 -0.751 -7.609 4.415 1.00 22.28 C ATOM 0 H ALA A 82 -3.220 -7.789 4.454 1.00 18.69 H new ATOM 0 HA ALA A 82 -1.550 -6.915 2.661 1.00 20.69 H new ATOM 0 HB1 ALA A 82 0.172 -7.588 4.117 1.00 22.28 H new ATOM 0 HB2 ALA A 82 -0.950 -6.797 4.908 1.00 22.28 H new ATOM 0 HB3 ALA A 82 -0.887 -8.378 4.991 1.00 22.28 H new ATOM 677 N LEU A 83 -2.075 -10.001 2.532 1.00 18.50 N ATOM 678 CA LEU A 83 -1.851 -11.250 1.821 1.00 17.70 C ATOM 679 C LEU A 83 -2.448 -11.260 0.369 1.00 20.05 C ATOM 680 O LEU A 83 -2.259 -12.257 -0.401 1.00 21.83 O ATOM 681 CB LEU A 83 -2.481 -12.369 2.630 1.00 17.04 C ATOM 682 CG LEU A 83 -2.001 -12.547 4.072 1.00 18.17 C ATOM 683 CD1 LEU A 83 -2.858 -13.581 4.795 1.00 16.99 C ATOM 684 CD2 LEU A 83 -0.537 -13.032 4.072 1.00 19.16 C ATOM 0 H LEU A 83 -2.742 -10.028 3.074 1.00 18.50 H new ATOM 0 HA LEU A 83 -0.893 -11.366 1.723 1.00 17.70 H new ATOM 0 HB2 LEU A 83 -3.440 -12.223 2.648 1.00 17.04 H new ATOM 0 HB3 LEU A 83 -2.330 -13.203 2.158 1.00 17.04 H new ATOM 0 HG LEU A 83 -2.073 -11.694 4.528 1.00 18.17 H new ATOM 0 HD11 LEU A 83 -2.542 -13.683 5.706 1.00 16.99 H new ATOM 0 HD12 LEU A 83 -3.782 -13.286 4.804 1.00 16.99 H new ATOM 0 HD13 LEU A 83 -2.795 -14.432 4.335 1.00 16.99 H new ATOM 0 HD21 LEU A 83 -0.233 -13.145 4.986 1.00 19.16 H new ATOM 0 HD22 LEU A 83 -0.477 -13.880 3.605 1.00 19.16 H new ATOM 0 HD23 LEU A 83 0.021 -12.377 3.625 1.00 19.16 H new ATOM 685 N LEU A 84 -3.173 -10.201 0.000 1.00 17.71 N ATOM 686 CA LEU A 84 -3.671 -10.046 -1.336 1.00 18.02 C ATOM 687 C LEU A 84 -2.859 -9.134 -2.251 1.00 18.82 C ATOM 688 O LEU A 84 -3.196 -8.956 -3.441 1.00 19.61 O ATOM 689 CB LEU A 84 -5.089 -9.530 -1.272 1.00 18.45 C ATOM 690 CG LEU A 84 -6.049 -10.365 -0.449 1.00 18.73 C ATOM 691 CD1 LEU A 84 -7.379 -9.661 -0.531 1.00 19.39 C ATOM 692 CD2 LEU A 84 -6.168 -11.806 -0.956 1.00 17.77 C ATOM 0 H LEU A 84 -3.383 -9.558 0.531 1.00 17.71 H new ATOM 0 HA LEU A 84 -3.608 -10.929 -1.733 1.00 18.02 H new ATOM 0 HB2 LEU A 84 -5.074 -8.631 -0.909 1.00 18.45 H new ATOM 0 HB3 LEU A 84 -5.434 -9.465 -2.176 1.00 18.45 H new ATOM 0 HG LEU A 84 -5.728 -10.441 0.463 1.00 18.73 H new ATOM 0 HD11 LEU A 84 -8.039 -10.154 -0.018 1.00 19.39 H new ATOM 0 HD12 LEU A 84 -7.294 -8.765 -0.170 1.00 19.39 H new ATOM 0 HD13 LEU A 84 -7.662 -9.610 -1.457 1.00 19.39 H new ATOM 0 HD21 LEU A 84 -6.792 -12.295 -0.397 1.00 17.77 H new ATOM 0 HD22 LEU A 84 -6.489 -11.802 -1.871 1.00 17.77 H new ATOM 0 HD23 LEU A 84 -5.298 -12.234 -0.921 1.00 17.77 H new ATOM 693 N SER A 85 -1.773 -8.600 -1.714 1.00 20.10 N ATOM 694 CA SER A 85 -0.894 -7.684 -2.436 1.00 20.69 C ATOM 695 C SER A 85 -0.171 -8.352 -3.632 1.00 21.59 C ATOM 696 O SER A 85 0.125 -9.546 -3.631 1.00 19.70 O ATOM 697 CB SER A 85 0.112 -7.125 -1.438 1.00 20.60 C ATOM 698 OG SER A 85 1.090 -6.370 -2.098 1.00 24.86 O ATOM 0 H SER A 85 -1.519 -8.760 -0.908 1.00 20.10 H new ATOM 0 HA SER A 85 -1.432 -6.976 -2.823 1.00 20.69 H new ATOM 0 HB2 SER A 85 -0.345 -6.572 -0.785 1.00 20.60 H new ATOM 0 HB3 SER A 85 0.531 -7.852 -0.951 1.00 20.60 H new ATOM 0 HG SER A 85 1.637 -6.067 -1.537 1.00 24.86 H new ATOM 699 N SER A 86 0.141 -7.555 -4.650 1.00 23.39 N ATOM 700 CA SER A 86 0.949 -8.005 -5.777 1.00 23.83 C ATOM 701 C SER A 86 2.352 -8.410 -5.361 1.00 22.94 C ATOM 702 O SER A 86 2.961 -9.271 -6.008 1.00 22.56 O ATOM 703 CB SER A 86 1.015 -6.905 -6.846 1.00 26.28 C ATOM 704 OG SER A 86 1.435 -5.684 -6.242 1.00 28.53 O ATOM 0 H SER A 86 -0.112 -6.735 -4.706 1.00 23.39 H new ATOM 0 HA SER A 86 0.519 -8.794 -6.142 1.00 23.83 H new ATOM 0 HB2 SER A 86 1.633 -7.159 -7.549 1.00 26.28 H new ATOM 0 HB3 SER A 86 0.146 -6.790 -7.261 1.00 26.28 H new ATOM 0 HG SER A 86 0.762 -5.256 -5.978 1.00 28.53 H new ATOM 705 N ASP A 87 2.862 -7.781 -4.303 1.00 21.84 N ATOM 706 CA ASP A 87 4.124 -8.163 -3.670 1.00 24.24 C ATOM 707 C ASP A 87 3.849 -9.333 -2.695 1.00 22.81 C ATOM 708 O ASP A 87 3.071 -9.210 -1.731 1.00 23.95 O ATOM 709 CB ASP A 87 4.706 -6.931 -2.943 1.00 26.88 C ATOM 710 CG ASP A 87 5.949 -7.231 -2.110 1.00 32.20 C ATOM 711 OD1 ASP A 87 6.712 -8.194 -2.354 1.00 38.79 O ATOM 712 OD2 ASP A 87 6.173 -6.457 -1.173 1.00 36.42 O ATOM 0 H ASP A 87 2.478 -7.110 -3.927 1.00 21.84 H new ATOM 0 HA ASP A 87 4.775 -8.460 -4.325 1.00 24.24 H new ATOM 0 HB2 ASP A 87 4.925 -6.252 -3.601 1.00 26.88 H new ATOM 0 HB3 ASP A 87 4.023 -6.556 -2.365 1.00 26.88 H new ATOM 713 N ILE A 88 4.495 -10.468 -2.936 1.00 22.36 N ATOM 714 CA ILE A 88 4.261 -11.662 -2.115 1.00 22.15 C ATOM 715 C ILE A 88 5.025 -11.713 -0.791 1.00 21.12 C ATOM 716 O ILE A 88 4.924 -12.709 -0.076 1.00 21.18 O ATOM 717 CB ILE A 88 4.572 -12.970 -2.901 1.00 22.59 C ATOM 718 CG1 ILE A 88 6.064 -13.039 -3.261 1.00 22.31 C ATOM 719 CG2 ILE A 88 3.631 -13.128 -4.104 1.00 21.44 C ATOM 720 CD1 ILE A 88 6.522 -14.442 -3.543 1.00 24.34 C ATOM 0 H ILE A 88 5.071 -10.573 -3.566 1.00 22.36 H new ATOM 0 HA ILE A 88 3.318 -11.596 -1.897 1.00 22.15 H new ATOM 0 HB ILE A 88 4.396 -13.736 -2.333 1.00 22.59 H new ATOM 0 HG12 ILE A 88 6.232 -12.484 -4.039 1.00 22.31 H new ATOM 0 HG13 ILE A 88 6.587 -12.671 -2.532 1.00 22.31 H new ATOM 0 HG21 ILE A 88 3.844 -13.948 -4.576 1.00 21.44 H new ATOM 0 HG22 ILE A 88 2.712 -13.163 -3.794 1.00 21.44 H new ATOM 0 HG23 ILE A 88 3.741 -12.373 -4.703 1.00 21.44 H new ATOM 0 HD11 ILE A 88 7.466 -14.436 -3.765 1.00 24.34 H new ATOM 0 HD12 ILE A 88 6.378 -14.994 -2.758 1.00 24.34 H new ATOM 0 HD13 ILE A 88 6.018 -14.804 -4.289 1.00 24.34 H new ATOM 721 N THR A 89 5.796 -10.689 -0.462 1.00 20.21 N ATOM 722 CA THR A 89 6.555 -10.679 0.799 1.00 22.61 C ATOM 723 C THR A 89 5.758 -11.139 2.021 1.00 21.24 C ATOM 724 O THR A 89 6.172 -12.015 2.760 1.00 19.88 O ATOM 725 CB THR A 89 7.124 -9.265 1.100 1.00 23.95 C ATOM 726 OG1 THR A 89 7.913 -8.870 -0.011 1.00 27.56 O ATOM 727 CG2 THR A 89 8.021 -9.253 2.340 1.00 24.69 C ATOM 0 H THR A 89 5.900 -9.987 -0.948 1.00 20.21 H new ATOM 0 HA THR A 89 7.268 -11.320 0.654 1.00 22.61 H new ATOM 0 HB THR A 89 6.378 -8.666 1.260 1.00 23.95 H new ATOM 0 HG1 THR A 89 7.411 -8.666 -0.653 1.00 27.56 H new ATOM 0 HG21 THR A 89 8.353 -8.354 2.491 1.00 24.69 H new ATOM 0 HG22 THR A 89 7.510 -9.542 3.112 1.00 24.69 H new ATOM 0 HG23 THR A 89 8.769 -9.855 2.204 1.00 24.69 H new ATOM 728 N ALA A 90 4.617 -10.509 2.236 1.00 21.77 N ATOM 729 CA ALA A 90 3.860 -10.761 3.428 1.00 20.23 C ATOM 730 C ALA A 90 3.385 -12.205 3.440 1.00 20.05 C ATOM 731 O ALA A 90 3.377 -12.848 4.521 1.00 18.65 O ATOM 732 CB ALA A 90 2.685 -9.813 3.522 1.00 20.52 C ATOM 0 H ALA A 90 4.269 -9.933 1.700 1.00 21.77 H new ATOM 0 HA ALA A 90 4.429 -10.612 4.199 1.00 20.23 H new ATOM 0 HB1 ALA A 90 2.185 -9.997 4.332 1.00 20.52 H new ATOM 0 HB2 ALA A 90 3.008 -8.898 3.542 1.00 20.52 H new ATOM 0 HB3 ALA A 90 2.108 -9.935 2.752 1.00 20.52 H new ATOM 733 N SER A 91 2.991 -12.710 2.266 1.00 18.73 N ATOM 734 CA SER A 91 2.500 -14.099 2.131 1.00 18.08 C ATOM 735 C SER A 91 3.612 -15.066 2.467 1.00 18.09 C ATOM 736 O SER A 91 3.419 -15.987 3.262 1.00 17.03 O ATOM 737 CB SER A 91 1.956 -14.394 0.733 1.00 17.52 C ATOM 738 OG SER A 91 0.643 -13.897 0.607 1.00 16.96 O ATOM 0 H SER A 91 2.999 -12.266 1.529 1.00 18.73 H new ATOM 0 HA SER A 91 1.764 -14.209 2.753 1.00 18.08 H new ATOM 0 HB2 SER A 91 2.528 -13.988 0.064 1.00 17.52 H new ATOM 0 HB3 SER A 91 1.964 -15.350 0.571 1.00 17.52 H new ATOM 0 HG SER A 91 0.667 -13.063 0.511 1.00 16.96 H new ATOM 739 N VAL A 92 4.794 -14.818 1.897 1.00 18.39 N ATOM 740 CA VAL A 92 5.947 -15.707 2.109 1.00 18.68 C ATOM 741 C VAL A 92 6.379 -15.763 3.596 1.00 19.56 C ATOM 742 O VAL A 92 6.615 -16.843 4.158 1.00 18.57 O ATOM 743 CB VAL A 92 7.141 -15.290 1.218 1.00 18.60 C ATOM 744 CG1 VAL A 92 8.420 -15.992 1.675 1.00 19.95 C ATOM 745 CG2 VAL A 92 6.852 -15.618 -0.234 1.00 18.38 C ATOM 0 H VAL A 92 4.951 -14.144 1.386 1.00 18.39 H new ATOM 0 HA VAL A 92 5.663 -16.599 1.854 1.00 18.68 H new ATOM 0 HB VAL A 92 7.269 -14.332 1.302 1.00 18.60 H new ATOM 0 HG11 VAL A 92 9.159 -15.721 1.108 1.00 19.95 H new ATOM 0 HG12 VAL A 92 8.612 -15.748 2.594 1.00 19.95 H new ATOM 0 HG13 VAL A 92 8.302 -16.953 1.614 1.00 19.95 H new ATOM 0 HG21 VAL A 92 7.607 -15.352 -0.782 1.00 18.38 H new ATOM 0 HG22 VAL A 92 6.705 -16.572 -0.327 1.00 18.38 H new ATOM 0 HG23 VAL A 92 6.059 -15.139 -0.522 1.00 18.38 H new ATOM 746 N ASN A 93 6.497 -14.601 4.232 1.00 22.20 N ATOM 747 CA ASN A 93 6.925 -14.566 5.641 1.00 23.81 C ATOM 748 C ASN A 93 5.953 -15.244 6.557 1.00 22.32 C ATOM 749 O ASN A 93 6.358 -15.827 7.588 1.00 19.53 O ATOM 750 CB ASN A 93 7.123 -13.142 6.156 1.00 27.89 C ATOM 751 CG ASN A 93 8.381 -12.499 5.602 1.00 33.12 C ATOM 752 OD1 ASN A 93 9.405 -13.178 5.363 1.00 35.24 O ATOM 753 ND2 ASN A 93 8.322 -11.175 5.393 1.00 36.71 N ATOM 0 H ASN A 93 6.339 -13.832 3.880 1.00 22.20 H new ATOM 0 HA ASN A 93 7.770 -15.042 5.649 1.00 23.81 H new ATOM 0 HB2 ASN A 93 6.354 -12.603 5.915 1.00 27.89 H new ATOM 0 HB3 ASN A 93 7.168 -13.154 7.125 1.00 27.89 H new ATOM 0 HD21 ASN A 93 9.007 -10.758 5.082 1.00 36.71 H new ATOM 0 HD22 ASN A 93 7.599 -10.744 5.570 1.00 36.71 H new ATOM 754 N CYS A 94 4.668 -15.131 6.217 1.00 20.15 N ATOM 755 CA CYS A 94 3.659 -15.779 7.011 1.00 21.07 C ATOM 756 C CYS A 94 3.693 -17.277 6.752 1.00 21.42 C ATOM 757 O CYS A 94 3.603 -18.035 7.704 1.00 21.03 O ATOM 758 CB CYS A 94 2.284 -15.209 6.749 1.00 20.80 C ATOM 759 SG CYS A 94 1.053 -15.874 7.853 1.00 20.60 S ATOM 0 H CYS A 94 4.375 -14.689 5.540 1.00 20.15 H new ATOM 0 HA CYS A 94 3.853 -15.615 7.947 1.00 21.07 H new ATOM 0 HB2 CYS A 94 2.313 -14.244 6.844 1.00 20.80 H new ATOM 0 HB3 CYS A 94 2.028 -15.396 5.832 1.00 20.80 H new ATOM 760 N ALA A 95 3.847 -17.685 5.476 1.00 18.68 N ATOM 761 CA ALA A 95 4.025 -19.106 5.123 1.00 18.16 C ATOM 762 C ALA A 95 5.203 -19.790 5.864 1.00 17.62 C ATOM 763 O ALA A 95 5.116 -20.966 6.274 1.00 15.10 O ATOM 764 CB ALA A 95 4.221 -19.243 3.610 1.00 18.87 C ATOM 0 H ALA A 95 3.851 -17.151 4.802 1.00 18.68 H new ATOM 0 HA ALA A 95 3.218 -19.562 5.408 1.00 18.16 H new ATOM 0 HB1 ALA A 95 4.338 -20.179 3.382 1.00 18.87 H new ATOM 0 HB2 ALA A 95 3.442 -18.893 3.150 1.00 18.87 H new ATOM 0 HB3 ALA A 95 5.007 -18.744 3.339 1.00 18.87 H new ATOM 765 N LYS A 96 6.297 -19.051 6.025 1.00 16.96 N ATOM 766 CA LYS A 96 7.453 -19.576 6.754 1.00 17.99 C ATOM 767 C LYS A 96 7.072 -19.935 8.221 1.00 19.67 C ATOM 768 O LYS A 96 7.455 -20.980 8.743 1.00 19.07 O ATOM 769 CB LYS A 96 8.569 -18.544 6.741 1.00 17.37 C ATOM 770 CG LYS A 96 9.274 -18.447 5.419 1.00 16.40 C ATOM 771 CD LYS A 96 10.308 -17.319 5.437 1.00 16.90 C ATOM 772 CE LYS A 96 11.137 -17.314 4.145 1.00 18.11 C ATOM 773 NZ LYS A 96 11.893 -16.028 3.999 1.00 20.01 N ATOM 0 H LYS A 96 6.392 -18.251 5.724 1.00 16.96 H new ATOM 0 HA LYS A 96 7.755 -20.387 6.316 1.00 17.99 H new ATOM 0 HB2 LYS A 96 8.201 -17.676 6.968 1.00 17.37 H new ATOM 0 HB3 LYS A 96 9.215 -18.767 7.429 1.00 17.37 H new ATOM 0 HG2 LYS A 96 9.711 -19.289 5.218 1.00 16.40 H new ATOM 0 HG3 LYS A 96 8.627 -18.288 4.714 1.00 16.40 H new ATOM 0 HD2 LYS A 96 9.859 -16.465 5.541 1.00 16.90 H new ATOM 0 HD3 LYS A 96 10.895 -17.426 6.202 1.00 16.90 H new ATOM 0 HE2 LYS A 96 11.758 -18.059 4.152 1.00 18.11 H new ATOM 0 HE3 LYS A 96 10.553 -17.438 3.381 1.00 18.11 H new ATOM 0 HZ1 LYS A 96 11.874 -15.767 3.148 1.00 20.01 H new ATOM 0 HZ2 LYS A 96 11.517 -15.403 4.509 1.00 20.01 H new ATOM 0 HZ3 LYS A 96 12.737 -16.149 4.253 1.00 20.01 H new ATOM 774 N LYS A 97 6.296 -19.063 8.854 1.00 19.70 N ATOM 775 CA LYS A 97 5.823 -19.323 10.194 1.00 22.88 C ATOM 776 C LYS A 97 4.796 -20.489 10.214 1.00 20.92 C ATOM 777 O LYS A 97 4.802 -21.308 11.132 1.00 18.38 O ATOM 778 CB LYS A 97 5.262 -18.031 10.806 1.00 27.72 C ATOM 779 CG LYS A 97 4.505 -18.222 12.107 1.00 35.17 C ATOM 780 CD LYS A 97 4.283 -16.880 12.812 1.00 43.12 C ATOM 781 CE LYS A 97 5.407 -16.532 13.803 1.00 46.17 C ATOM 782 NZ LYS A 97 5.804 -15.094 13.749 1.00 48.69 N ATOM 0 H LYS A 97 6.035 -18.315 8.519 1.00 19.70 H new ATOM 0 HA LYS A 97 6.568 -19.612 10.744 1.00 22.88 H new ATOM 0 HB2 LYS A 97 5.996 -17.416 10.960 1.00 27.72 H new ATOM 0 HB3 LYS A 97 4.671 -17.612 10.161 1.00 27.72 H new ATOM 0 HG2 LYS A 97 3.650 -18.644 11.929 1.00 35.17 H new ATOM 0 HG3 LYS A 97 5.000 -18.819 12.689 1.00 35.17 H new ATOM 0 HD2 LYS A 97 4.216 -16.177 12.147 1.00 43.12 H new ATOM 0 HD3 LYS A 97 3.437 -16.905 13.285 1.00 43.12 H new ATOM 0 HE2 LYS A 97 5.117 -16.749 14.703 1.00 46.17 H new ATOM 0 HE3 LYS A 97 6.182 -17.084 13.613 1.00 46.17 H new ATOM 0 HZ1 LYS A 97 6.483 -14.952 14.306 1.00 48.69 H new ATOM 0 HZ2 LYS A 97 6.052 -14.885 12.920 1.00 48.69 H new ATOM 0 HZ3 LYS A 97 5.114 -14.586 13.988 1.00 48.69 H new ATOM 783 N ILE A 98 3.933 -20.582 9.202 1.00 19.04 N ATOM 784 CA ILE A 98 2.960 -21.686 9.179 1.00 18.42 C ATOM 785 C ILE A 98 3.659 -23.044 9.029 1.00 18.27 C ATOM 786 O ILE A 98 3.369 -23.978 9.777 1.00 18.16 O ATOM 787 CB ILE A 98 1.923 -21.533 8.046 1.00 19.30 C ATOM 788 CG1 ILE A 98 1.115 -20.255 8.237 1.00 18.35 C ATOM 789 CG2 ILE A 98 0.987 -22.781 7.963 1.00 18.80 C ATOM 790 CD1 ILE A 98 0.192 -19.945 7.083 1.00 18.99 C ATOM 0 H ILE A 98 3.890 -20.038 8.538 1.00 19.04 H new ATOM 0 HA ILE A 98 2.496 -21.649 10.030 1.00 18.42 H new ATOM 0 HB ILE A 98 2.401 -21.471 7.204 1.00 19.30 H new ATOM 0 HG12 ILE A 98 0.590 -20.331 9.049 1.00 18.35 H new ATOM 0 HG13 ILE A 98 1.725 -19.511 8.362 1.00 18.35 H new ATOM 0 HG21 ILE A 98 0.347 -22.658 7.245 1.00 18.80 H new ATOM 0 HG22 ILE A 98 1.519 -23.574 7.790 1.00 18.80 H new ATOM 0 HG23 ILE A 98 0.513 -22.887 8.803 1.00 18.80 H new ATOM 0 HD11 ILE A 98 -0.291 -19.124 7.266 1.00 18.99 H new ATOM 0 HD12 ILE A 98 0.713 -19.840 6.271 1.00 18.99 H new ATOM 0 HD13 ILE A 98 -0.440 -20.672 6.969 1.00 18.99 H new ATOM 791 N VAL A 99 4.568 -23.137 8.061 1.00 17.89 N ATOM 792 CA VAL A 99 5.272 -24.386 7.719 1.00 18.42 C ATOM 793 C VAL A 99 6.252 -24.806 8.822 1.00 20.34 C ATOM 794 O VAL A 99 6.677 -25.982 8.878 1.00 21.02 O ATOM 795 CB VAL A 99 6.015 -24.282 6.368 1.00 18.38 C ATOM 796 CG1 VAL A 99 7.286 -23.476 6.521 1.00 18.68 C ATOM 797 CG2 VAL A 99 6.365 -25.649 5.763 1.00 18.85 C ATOM 0 H VAL A 99 4.801 -22.468 7.573 1.00 17.89 H new ATOM 0 HA VAL A 99 4.588 -25.069 7.637 1.00 18.42 H new ATOM 0 HB VAL A 99 5.402 -23.838 5.761 1.00 18.38 H new ATOM 0 HG11 VAL A 99 7.739 -23.421 5.665 1.00 18.68 H new ATOM 0 HG12 VAL A 99 7.068 -22.583 6.829 1.00 18.68 H new ATOM 0 HG13 VAL A 99 7.867 -23.907 7.167 1.00 18.68 H new ATOM 0 HG21 VAL A 99 6.828 -25.521 4.920 1.00 18.85 H new ATOM 0 HG22 VAL A 99 6.938 -26.137 6.375 1.00 18.85 H new ATOM 0 HG23 VAL A 99 5.551 -26.154 5.611 1.00 18.85 H new ATOM 798 N SER A 100 6.613 -23.860 9.685 1.00 20.13 N ATOM 799 CA SER A 100 7.371 -24.177 10.876 1.00 21.91 C ATOM 800 C SER A 100 6.555 -24.714 12.028 1.00 22.79 C ATOM 801 O SER A 100 7.145 -25.144 12.988 1.00 25.11 O ATOM 802 CB SER A 100 8.172 -22.961 11.328 1.00 20.35 C ATOM 803 OG SER A 100 8.907 -22.496 10.201 1.00 22.11 O ATOM 0 H SER A 100 6.425 -23.026 9.593 1.00 20.13 H new ATOM 0 HA SER A 100 7.962 -24.902 10.617 1.00 21.91 H new ATOM 0 HB2 SER A 100 7.582 -22.267 11.661 1.00 20.35 H new ATOM 0 HB3 SER A 100 8.771 -23.196 12.054 1.00 20.35 H new ATOM 0 HG SER A 100 8.577 -21.772 9.930 1.00 22.11 H new ATOM 804 N ASP A 101 5.234 -24.750 11.970 1.00 27.57 N ATOM 805 CA ASP A 101 4.472 -24.973 13.224 1.00 32.63 C ATOM 806 C ASP A 101 4.155 -26.413 13.588 1.00 31.73 C ATOM 807 O ASP A 101 3.336 -26.653 14.487 1.00 31.86 O ATOM 808 CB ASP A 101 3.248 -24.019 13.316 1.00 39.96 C ATOM 809 CG ASP A 101 1.932 -24.698 13.084 1.00 46.53 C ATOM 810 OD1 ASP A 101 1.853 -25.574 12.190 1.00 61.37 O ATOM 811 OD2 ASP A 101 0.976 -24.348 13.808 1.00 50.82 O ATOM 0 H ASP A 101 4.763 -24.654 11.257 1.00 27.57 H new ATOM 0 HA ASP A 101 5.095 -24.735 13.929 1.00 32.63 H new ATOM 0 HB2 ASP A 101 3.238 -23.603 14.192 1.00 39.96 H new ATOM 0 HB3 ASP A 101 3.354 -23.307 12.666 1.00 39.96 H new ATOM 812 N GLY A 102 4.827 -27.376 12.941 1.00 31.85 N ATOM 813 CA GLY A 102 4.879 -28.777 13.439 1.00 28.77 C ATOM 814 C GLY A 102 4.441 -29.809 12.420 1.00 29.43 C ATOM 815 O GLY A 102 4.971 -30.920 12.390 1.00 26.68 O ATOM 0 H GLY A 102 5.262 -27.246 12.211 1.00 31.85 H new ATOM 0 HA2 GLY A 102 5.786 -28.977 13.720 1.00 28.77 H new ATOM 0 HA3 GLY A 102 4.316 -28.852 14.225 1.00 28.77 H new ATOM 816 N ASN A 103 3.486 -29.425 11.569 1.00 28.94 N ATOM 817 CA ASN A 103 2.970 -30.288 10.491 1.00 28.41 C ATOM 818 C ASN A 103 3.525 -30.031 9.103 1.00 23.88 C ATOM 819 O ASN A 103 3.102 -30.671 8.170 1.00 25.62 O ATOM 820 CB ASN A 103 1.453 -30.218 10.520 1.00 31.49 C ATOM 821 CG ASN A 103 0.937 -30.583 11.898 1.00 34.13 C ATOM 822 OD1 ASN A 103 0.572 -29.715 12.704 1.00 42.73 O ATOM 823 ND2 ASN A 103 1.043 -31.848 12.226 1.00 32.70 N ATOM 0 H ASN A 103 3.114 -28.650 11.599 1.00 28.94 H new ATOM 0 HA ASN A 103 3.287 -31.186 10.676 1.00 28.41 H new ATOM 0 HB2 ASN A 103 1.159 -29.324 10.284 1.00 31.49 H new ATOM 0 HB3 ASN A 103 1.082 -30.822 9.858 1.00 31.49 H new ATOM 0 HD21 ASN A 103 0.856 -32.102 13.026 1.00 32.70 H new ATOM 0 HD22 ASN A 103 1.299 -32.424 11.641 1.00 32.70 H new ATOM 824 N GLY A 104 4.511 -29.145 8.992 1.00 20.89 N ATOM 825 CA GLY A 104 5.145 -28.846 7.728 1.00 20.51 C ATOM 826 C GLY A 104 4.089 -28.380 6.717 1.00 18.53 C ATOM 827 O GLY A 104 3.169 -27.645 7.070 1.00 17.52 O ATOM 0 H GLY A 104 4.828 -28.701 9.657 1.00 20.89 H new ATOM 0 HA2 GLY A 104 5.817 -28.157 7.848 1.00 20.51 H new ATOM 0 HA3 GLY A 104 5.603 -29.632 7.392 1.00 20.51 H new ATOM 828 N MET A 105 4.189 -28.849 5.483 1.00 17.01 N ATOM 829 CA MET A 105 3.325 -28.301 4.434 1.00 17.97 C ATOM 830 C MET A 105 1.961 -28.941 4.451 1.00 17.15 C ATOM 831 O MET A 105 1.134 -28.535 3.678 1.00 18.23 O ATOM 832 CB MET A 105 3.932 -28.425 3.031 1.00 17.39 C ATOM 833 CG MET A 105 5.016 -27.390 2.806 1.00 17.78 C ATOM 834 SD MET A 105 5.462 -27.092 1.108 1.00 17.54 S ATOM 835 CE MET A 105 4.004 -26.239 0.505 1.00 18.19 C ATOM 0 H MET A 105 4.732 -29.466 5.231 1.00 17.01 H new ATOM 0 HA MET A 105 3.239 -27.356 4.636 1.00 17.97 H new ATOM 0 HB2 MET A 105 4.302 -29.314 2.914 1.00 17.39 H new ATOM 0 HB3 MET A 105 3.236 -28.317 2.364 1.00 17.39 H new ATOM 0 HG2 MET A 105 4.726 -26.552 3.198 1.00 17.78 H new ATOM 0 HG3 MET A 105 5.811 -27.669 3.287 1.00 17.78 H new ATOM 0 HE1 MET A 105 4.177 -25.892 -0.384 1.00 18.19 H new ATOM 0 HE2 MET A 105 3.258 -26.858 0.471 1.00 18.19 H new ATOM 0 HE3 MET A 105 3.788 -25.506 1.102 1.00 18.19 H new ATOM 836 N ASN A 106 1.752 -29.968 5.292 1.00 17.97 N ATOM 837 CA ASN A 106 0.411 -30.574 5.504 1.00 16.53 C ATOM 838 C ASN A 106 -0.621 -29.587 6.051 1.00 16.51 C ATOM 839 O ASN A 106 -1.796 -29.822 5.930 1.00 15.46 O ATOM 840 CB ASN A 106 0.468 -31.750 6.467 1.00 16.26 C ATOM 841 CG ASN A 106 1.324 -32.890 5.956 1.00 16.28 C ATOM 842 OD1 ASN A 106 0.991 -33.517 4.967 1.00 15.87 O ATOM 843 ND2 ASN A 106 2.445 -33.141 6.613 1.00 15.26 N ATOM 0 H ASN A 106 2.377 -30.335 5.755 1.00 17.97 H new ATOM 0 HA ASN A 106 0.136 -30.865 4.621 1.00 16.53 H new ATOM 0 HB2 ASN A 106 0.817 -31.447 7.320 1.00 16.26 H new ATOM 0 HB3 ASN A 106 -0.432 -32.074 6.628 1.00 16.26 H new ATOM 0 HD21 ASN A 106 2.970 -33.767 6.345 1.00 15.26 H new ATOM 0 HD22 ASN A 106 2.649 -32.678 7.308 1.00 15.26 H new ATOM 844 N ALA A 107 -0.182 -28.479 6.652 1.00 18.16 N ATOM 845 CA ALA A 107 -1.079 -27.343 6.988 1.00 17.46 C ATOM 846 C ALA A 107 -1.877 -26.844 5.792 1.00 16.62 C ATOM 847 O ALA A 107 -2.973 -26.328 5.952 1.00 17.45 O ATOM 848 CB ALA A 107 -0.268 -26.212 7.591 1.00 18.21 C ATOM 0 H ALA A 107 0.638 -28.356 6.879 1.00 18.16 H new ATOM 0 HA ALA A 107 -1.725 -27.668 7.634 1.00 17.46 H new ATOM 0 HB1 ALA A 107 -0.856 -25.472 7.809 1.00 18.21 H new ATOM 0 HB2 ALA A 107 0.172 -26.523 8.397 1.00 18.21 H new ATOM 0 HB3 ALA A 107 0.400 -25.916 6.953 1.00 18.21 H new ATOM 849 N TRP A 108 -1.357 -27.028 4.584 1.00 16.92 N ATOM 850 CA TRP A 108 -2.107 -26.762 3.345 1.00 17.11 C ATOM 851 C TRP A 108 -2.784 -28.032 2.817 1.00 18.82 C ATOM 852 O TRP A 108 -2.124 -28.945 2.265 1.00 16.65 O ATOM 853 CB TRP A 108 -1.196 -26.132 2.275 1.00 18.13 C ATOM 854 CG TRP A 108 -0.754 -24.710 2.527 1.00 17.59 C ATOM 855 CD1 TRP A 108 -1.359 -23.564 2.070 1.00 18.33 C ATOM 856 CD2 TRP A 108 0.451 -24.284 3.193 1.00 18.64 C ATOM 857 NE1 TRP A 108 -0.646 -22.454 2.475 1.00 17.78 N ATOM 858 CE2 TRP A 108 0.477 -22.867 3.150 1.00 19.28 C ATOM 859 CE3 TRP A 108 1.503 -24.964 3.847 1.00 18.61 C ATOM 860 CZ2 TRP A 108 1.514 -22.111 3.747 1.00 19.51 C ATOM 861 CZ3 TRP A 108 2.522 -24.225 4.437 1.00 18.63 C ATOM 862 CH2 TRP A 108 2.518 -22.805 4.384 1.00 19.92 C ATOM 0 H TRP A 108 -0.556 -27.312 4.452 1.00 16.92 H new ATOM 0 HA TRP A 108 -2.807 -26.125 3.555 1.00 17.11 H new ATOM 0 HB2 TRP A 108 -0.405 -26.686 2.184 1.00 18.13 H new ATOM 0 HB3 TRP A 108 -1.661 -26.160 1.424 1.00 18.13 H new ATOM 0 HD1 TRP A 108 -2.137 -23.540 1.561 1.00 18.33 H new ATOM 0 HE1 TRP A 108 -0.869 -21.636 2.329 1.00 17.78 H new ATOM 0 HE3 TRP A 108 1.514 -25.893 3.882 1.00 18.61 H new ATOM 0 HZ2 TRP A 108 1.517 -21.182 3.710 1.00 19.51 H new ATOM 0 HZ3 TRP A 108 3.216 -24.666 4.872 1.00 18.63 H new ATOM 0 HH2 TRP A 108 3.210 -22.333 4.789 1.00 19.92 H new ATOM 863 N VAL A 109 -4.119 -28.094 2.959 1.00 20.14 N ATOM 864 CA VAL A 109 -4.845 -29.312 2.580 1.00 22.55 C ATOM 865 C VAL A 109 -4.620 -29.603 1.084 1.00 20.59 C ATOM 866 O VAL A 109 -4.354 -30.754 0.724 1.00 23.80 O ATOM 867 CB VAL A 109 -6.349 -29.287 2.989 1.00 25.05 C ATOM 868 CG1 VAL A 109 -7.057 -30.558 2.511 1.00 25.80 C ATOM 869 CG2 VAL A 109 -6.467 -29.168 4.522 1.00 26.87 C ATOM 0 H VAL A 109 -4.609 -27.457 3.265 1.00 20.14 H new ATOM 0 HA VAL A 109 -4.479 -30.053 3.088 1.00 22.55 H new ATOM 0 HB VAL A 109 -6.773 -28.521 2.571 1.00 25.05 H new ATOM 0 HG11 VAL A 109 -7.990 -30.527 2.773 1.00 25.80 H new ATOM 0 HG12 VAL A 109 -6.995 -30.620 1.545 1.00 25.80 H new ATOM 0 HG13 VAL A 109 -6.635 -31.334 2.912 1.00 25.80 H new ATOM 0 HG21 VAL A 109 -7.403 -29.153 4.774 1.00 26.87 H new ATOM 0 HG22 VAL A 109 -6.032 -29.928 4.940 1.00 26.87 H new ATOM 0 HG23 VAL A 109 -6.040 -28.349 4.817 1.00 26.87 H new ATOM 870 N ALA A 110 -4.618 -28.580 0.235 1.00 19.37 N ATOM 871 CA ALA A 110 -4.366 -28.817 -1.199 1.00 18.71 C ATOM 872 C ALA A 110 -2.942 -29.326 -1.481 1.00 18.52 C ATOM 873 O ALA A 110 -2.757 -30.132 -2.404 1.00 19.16 O ATOM 874 CB ALA A 110 -4.671 -27.601 -2.025 1.00 19.37 C ATOM 0 H ALA A 110 -4.756 -27.760 0.453 1.00 19.37 H new ATOM 0 HA ALA A 110 -4.976 -29.524 -1.463 1.00 18.71 H new ATOM 0 HB1 ALA A 110 -4.495 -27.792 -2.960 1.00 19.37 H new ATOM 0 HB2 ALA A 110 -5.604 -27.361 -1.915 1.00 19.37 H new ATOM 0 HB3 ALA A 110 -4.111 -26.864 -1.735 1.00 19.37 H new ATOM 875 N TRP A 111 -1.946 -28.911 -0.685 1.00 16.73 N ATOM 876 CA TRP A 111 -0.591 -29.464 -0.867 1.00 16.82 C ATOM 877 C TRP A 111 -0.584 -30.963 -0.570 1.00 16.24 C ATOM 878 O TRP A 111 0.018 -31.766 -1.282 1.00 14.95 O ATOM 879 CB TRP A 111 0.486 -28.742 -0.028 1.00 15.96 C ATOM 880 CG TRP A 111 1.873 -29.415 -0.174 1.00 15.25 C ATOM 881 CD1 TRP A 111 2.785 -29.226 -1.181 1.00 15.18 C ATOM 882 CD2 TRP A 111 2.436 -30.422 0.679 1.00 14.94 C ATOM 883 NE1 TRP A 111 3.867 -30.022 -0.992 1.00 15.29 N ATOM 884 CE2 TRP A 111 3.690 -30.767 0.141 1.00 14.44 C ATOM 885 CE3 TRP A 111 2.000 -31.055 1.852 1.00 13.80 C ATOM 886 CZ2 TRP A 111 4.527 -31.713 0.735 1.00 14.73 C ATOM 887 CZ3 TRP A 111 2.819 -32.003 2.437 1.00 14.09 C ATOM 888 CH2 TRP A 111 4.068 -32.330 1.889 1.00 14.46 C ATOM 0 H TRP A 111 -2.026 -28.331 -0.055 1.00 16.73 H new ATOM 0 HA TRP A 111 -0.357 -29.315 -1.796 1.00 16.82 H new ATOM 0 HB2 TRP A 111 0.545 -27.815 -0.306 1.00 15.96 H new ATOM 0 HB3 TRP A 111 0.223 -28.742 0.906 1.00 15.96 H new ATOM 0 HD1 TRP A 111 2.677 -28.636 -1.892 1.00 15.18 H new ATOM 0 HE1 TRP A 111 4.557 -30.053 -1.505 1.00 15.29 H new ATOM 0 HE3 TRP A 111 1.177 -30.842 2.229 1.00 13.80 H new ATOM 0 HZ2 TRP A 111 5.358 -31.921 0.372 1.00 14.73 H new ATOM 0 HZ3 TRP A 111 2.535 -32.433 3.211 1.00 14.09 H new ATOM 0 HH2 TRP A 111 4.597 -32.971 2.306 1.00 14.46 H new ATOM 889 N ARG A 112 -1.227 -31.329 0.514 1.00 18.99 N ATOM 890 CA ARG A 112 -1.222 -32.732 0.961 1.00 22.18 C ATOM 891 C ARG A 112 -1.951 -33.588 -0.075 1.00 21.22 C ATOM 892 O ARG A 112 -1.427 -34.615 -0.547 1.00 19.51 O ATOM 893 CB ARG A 112 -1.876 -32.864 2.325 1.00 26.38 C ATOM 894 CG ARG A 112 -1.658 -34.240 2.930 1.00 32.73 C ATOM 895 CD ARG A 112 -2.539 -34.536 4.139 1.00 36.30 C ATOM 896 NE ARG A 112 -3.084 -33.353 4.801 1.00 42.82 N ATOM 897 CZ ARG A 112 -4.383 -33.010 4.900 1.00 50.27 C ATOM 898 NH1 ARG A 112 -4.715 -31.898 5.565 1.00 49.15 N ATOM 899 NH2 ARG A 112 -5.371 -33.747 4.365 1.00 50.59 N ATOM 0 H ARG A 112 -1.676 -30.793 1.015 1.00 18.99 H new ATOM 0 HA ARG A 112 -0.306 -33.040 1.044 1.00 22.18 H new ATOM 0 HB2 ARG A 112 -1.517 -32.189 2.922 1.00 26.38 H new ATOM 0 HB3 ARG A 112 -2.828 -32.694 2.244 1.00 26.38 H new ATOM 0 HG2 ARG A 112 -1.823 -34.911 2.250 1.00 32.73 H new ATOM 0 HG3 ARG A 112 -0.728 -34.324 3.192 1.00 32.73 H new ATOM 0 HD2 ARG A 112 -3.275 -35.102 3.857 1.00 36.30 H new ATOM 0 HD3 ARG A 112 -2.022 -35.043 4.784 1.00 36.30 H new ATOM 0 HE ARG A 112 -2.516 -32.820 5.166 1.00 42.82 H new ATOM 0 HH11 ARG A 112 -4.102 -31.412 5.923 1.00 49.15 H new ATOM 0 HH12 ARG A 112 -5.541 -31.669 5.635 1.00 49.15 H new ATOM 0 HH21 ARG A 112 -5.185 -34.470 3.938 1.00 50.59 H new ATOM 0 HH22 ARG A 112 -6.189 -33.495 4.449 1.00 50.59 H new ATOM 900 N ASN A 113 -3.140 -33.130 -0.462 1.00 19.64 N ATOM 901 CA ASN A 113 -3.961 -33.885 -1.388 1.00 20.06 C ATOM 902 C ASN A 113 -3.527 -33.855 -2.832 1.00 19.48 C ATOM 903 O ASN A 113 -3.795 -34.815 -3.541 1.00 24.03 O ATOM 904 CB ASN A 113 -5.417 -33.453 -1.272 1.00 21.23 C ATOM 905 CG ASN A 113 -6.024 -33.836 0.076 1.00 21.00 C ATOM 906 OD1 ASN A 113 -5.626 -34.835 0.675 1.00 19.31 O ATOM 907 ND2 ASN A 113 -6.971 -33.048 0.549 1.00 19.02 N ATOM 0 H ASN A 113 -3.484 -32.387 -0.198 1.00 19.64 H new ATOM 0 HA ASN A 113 -3.847 -34.809 -1.116 1.00 20.06 H new ATOM 0 HB2 ASN A 113 -5.479 -32.492 -1.392 1.00 21.23 H new ATOM 0 HB3 ASN A 113 -5.932 -33.862 -1.985 1.00 21.23 H new ATOM 0 HD21 ASN A 113 -7.338 -33.224 1.307 1.00 19.02 H new ATOM 0 HD22 ASN A 113 -7.221 -32.359 0.100 1.00 19.02 H new ATOM 908 N ARG A 114 -2.816 -32.824 -3.278 1.00 17.78 N ATOM 909 CA ARG A 114 -2.487 -32.695 -4.701 1.00 16.78 C ATOM 910 C ARG A 114 -0.992 -32.554 -5.071 1.00 17.28 C ATOM 911 O ARG A 114 -0.650 -32.820 -6.200 1.00 16.72 O ATOM 912 CB ARG A 114 -3.280 -31.516 -5.241 1.00 17.50 C ATOM 913 CG ARG A 114 -4.769 -31.669 -4.990 1.00 16.13 C ATOM 914 CD ARG A 114 -5.498 -30.476 -5.483 1.00 16.51 C ATOM 915 NE ARG A 114 -5.641 -30.487 -6.921 1.00 15.14 N ATOM 916 CZ ARG A 114 -6.465 -29.702 -7.589 1.00 14.80 C ATOM 917 NH1 ARG A 114 -7.185 -28.794 -6.965 1.00 15.91 N ATOM 918 NH2 ARG A 114 -6.546 -29.800 -8.886 1.00 15.57 N ATOM 0 H ARG A 114 -2.515 -32.191 -2.780 1.00 17.78 H new ATOM 0 HA ARG A 114 -2.727 -33.541 -5.110 1.00 16.78 H new ATOM 0 HB2 ARG A 114 -2.965 -30.698 -4.825 1.00 17.50 H new ATOM 0 HB3 ARG A 114 -3.121 -31.429 -6.194 1.00 17.50 H new ATOM 0 HG2 ARG A 114 -5.099 -32.465 -5.436 1.00 16.13 H new ATOM 0 HG3 ARG A 114 -4.933 -31.787 -4.041 1.00 16.13 H new ATOM 0 HD2 ARG A 114 -6.376 -30.441 -5.071 1.00 16.51 H new ATOM 0 HD3 ARG A 114 -5.025 -29.674 -5.212 1.00 16.51 H new ATOM 0 HE ARG A 114 -5.159 -31.040 -7.370 1.00 15.14 H new ATOM 0 HH11 ARG A 114 -7.122 -28.707 -6.112 1.00 15.91 H new ATOM 0 HH12 ARG A 114 -7.719 -28.288 -7.411 1.00 15.91 H new ATOM 0 HH21 ARG A 114 -6.063 -30.375 -9.305 1.00 15.57 H new ATOM 0 HH22 ARG A 114 -7.082 -29.289 -9.323 1.00 15.57 H new ATOM 919 N CYS A 115 -0.116 -32.170 -4.127 1.00 16.20 N ATOM 920 CA CYS A 115 1.327 -32.007 -4.377 1.00 16.01 C ATOM 921 C CYS A 115 2.212 -33.044 -3.709 1.00 16.52 C ATOM 922 O CYS A 115 3.205 -33.476 -4.311 1.00 17.56 O ATOM 923 CB CYS A 115 1.774 -30.622 -3.902 1.00 15.73 C ATOM 924 SG CYS A 115 0.837 -29.300 -4.694 1.00 14.72 S ATOM 0 H CYS A 115 -0.346 -31.996 -3.317 1.00 16.20 H new ATOM 0 HA CYS A 115 1.436 -32.122 -5.334 1.00 16.01 H new ATOM 0 HB2 CYS A 115 1.667 -30.561 -2.940 1.00 15.73 H new ATOM 0 HB3 CYS A 115 2.718 -30.506 -4.091 1.00 15.73 H new ATOM 925 N LYS A 116 1.888 -33.378 -2.454 1.00 16.39 N ATOM 926 CA LYS A 116 2.675 -34.250 -1.594 1.00 16.94 C ATOM 927 C LYS A 116 2.860 -35.561 -2.313 1.00 18.44 C ATOM 928 O LYS A 116 1.915 -36.104 -2.886 1.00 20.42 O ATOM 929 CB LYS A 116 1.956 -34.471 -0.249 1.00 17.05 C ATOM 930 CG LYS A 116 2.688 -35.336 0.771 1.00 17.63 C ATOM 931 CD LYS A 116 1.850 -35.530 2.044 1.00 17.15 C ATOM 932 CE LYS A 116 2.646 -36.120 3.221 1.00 16.92 C ATOM 933 NZ LYS A 116 1.789 -36.236 4.447 1.00 16.22 N ATOM 0 H LYS A 116 1.174 -33.088 -2.072 1.00 16.39 H new ATOM 0 HA LYS A 116 3.536 -33.846 -1.404 1.00 16.94 H new ATOM 0 HB2 LYS A 116 1.786 -33.604 0.152 1.00 17.05 H new ATOM 0 HB3 LYS A 116 1.092 -34.875 -0.428 1.00 17.05 H new ATOM 0 HG2 LYS A 116 2.890 -36.200 0.380 1.00 17.63 H new ATOM 0 HG3 LYS A 116 3.536 -34.923 0.999 1.00 17.63 H new ATOM 0 HD2 LYS A 116 1.478 -34.675 2.311 1.00 17.15 H new ATOM 0 HD3 LYS A 116 1.102 -36.114 1.844 1.00 17.15 H new ATOM 0 HE2 LYS A 116 2.988 -36.994 2.978 1.00 16.92 H new ATOM 0 HE3 LYS A 116 3.413 -35.558 3.411 1.00 16.92 H new ATOM 0 HZ1 LYS A 116 2.276 -36.551 5.121 1.00 16.22 H new ATOM 0 HZ2 LYS A 116 1.469 -35.434 4.663 1.00 16.22 H new ATOM 0 HZ3 LYS A 116 1.113 -36.791 4.285 1.00 16.22 H new ATOM 934 N GLY A 117 4.092 -36.025 -2.362 1.00 19.81 N ATOM 935 CA GLY A 117 4.394 -37.274 -3.074 1.00 20.74 C ATOM 936 C GLY A 117 4.440 -37.217 -4.593 1.00 20.21 C ATOM 937 O GLY A 117 4.727 -38.216 -5.205 1.00 22.72 O ATOM 0 H GLY A 117 4.771 -35.644 -1.996 1.00 19.81 H new ATOM 0 HA2 GLY A 117 5.252 -37.599 -2.760 1.00 20.74 H new ATOM 0 HA3 GLY A 117 3.730 -37.933 -2.818 1.00 20.74 H new ATOM 938 N THR A 118 4.170 -36.085 -5.211 1.00 19.74 N ATOM 939 CA THR A 118 4.123 -35.989 -6.675 1.00 19.45 C ATOM 940 C THR A 118 5.500 -35.516 -7.185 1.00 21.34 C ATOM 941 O THR A 118 6.367 -35.132 -6.388 1.00 23.19 O ATOM 942 CB THR A 118 2.965 -35.046 -7.139 1.00 19.44 C ATOM 943 OG1 THR A 118 3.234 -33.667 -6.843 1.00 17.48 O ATOM 944 CG2 THR A 118 1.631 -35.430 -6.465 1.00 19.23 C ATOM 0 H THR A 118 4.007 -35.345 -4.804 1.00 19.74 H new ATOM 0 HA THR A 118 3.933 -36.860 -7.057 1.00 19.45 H new ATOM 0 HB THR A 118 2.900 -35.157 -8.100 1.00 19.44 H new ATOM 0 HG1 THR A 118 3.410 -33.585 -6.026 1.00 17.48 H new ATOM 0 HG21 THR A 118 0.931 -34.832 -6.769 1.00 19.23 H new ATOM 0 HG22 THR A 118 1.400 -36.342 -6.700 1.00 19.23 H new ATOM 0 HG23 THR A 118 1.722 -35.358 -5.502 1.00 19.23 H new ATOM 945 N ASP A 119 5.720 -35.540 -8.492 1.00 23.40 N ATOM 946 CA ASP A 119 6.940 -34.966 -9.092 1.00 25.94 C ATOM 947 C ASP A 119 6.882 -33.415 -9.083 1.00 24.72 C ATOM 948 O ASP A 119 6.724 -32.760 -10.127 1.00 27.82 O ATOM 949 CB ASP A 119 7.166 -35.492 -10.522 1.00 26.96 C ATOM 950 CG ASP A 119 8.444 -34.923 -11.171 1.00 31.93 C ATOM 951 OD1 ASP A 119 9.479 -34.786 -10.468 1.00 38.87 O ATOM 952 OD2 ASP A 119 8.419 -34.572 -12.367 1.00 36.67 O ATOM 0 H ASP A 119 5.176 -35.885 -9.062 1.00 23.40 H new ATOM 0 HA ASP A 119 7.693 -35.248 -8.550 1.00 25.94 H new ATOM 0 HB2 ASP A 119 7.222 -36.460 -10.501 1.00 26.96 H new ATOM 0 HB3 ASP A 119 6.400 -35.264 -11.071 1.00 26.96 H new ATOM 953 N VAL A 120 7.024 -32.831 -7.897 1.00 23.08 N ATOM 954 CA VAL A 120 6.875 -31.389 -7.737 1.00 21.68 C ATOM 955 C VAL A 120 7.911 -30.607 -8.561 1.00 22.92 C ATOM 956 O VAL A 120 7.664 -29.467 -8.935 1.00 23.43 O ATOM 957 CB VAL A 120 6.924 -30.970 -6.250 1.00 21.05 C ATOM 958 CG1 VAL A 120 5.782 -31.645 -5.479 1.00 22.43 C ATOM 959 CG2 VAL A 120 8.281 -31.278 -5.613 1.00 19.56 C ATOM 0 H VAL A 120 7.207 -33.254 -7.171 1.00 23.08 H new ATOM 0 HA VAL A 120 5.997 -31.162 -8.081 1.00 21.68 H new ATOM 0 HB VAL A 120 6.807 -30.008 -6.204 1.00 21.05 H new ATOM 0 HG11 VAL A 120 5.818 -31.378 -4.547 1.00 22.43 H new ATOM 0 HG12 VAL A 120 4.931 -31.376 -5.859 1.00 22.43 H new ATOM 0 HG13 VAL A 120 5.874 -32.609 -5.543 1.00 22.43 H new ATOM 0 HG21 VAL A 120 8.272 -31.002 -4.683 1.00 19.56 H new ATOM 0 HG22 VAL A 120 8.454 -32.231 -5.665 1.00 19.56 H new ATOM 0 HG23 VAL A 120 8.978 -30.797 -6.086 1.00 19.56 H new ATOM 960 N GLN A 121 9.065 -31.216 -8.849 1.00 23.63 N ATOM 961 CA GLN A 121 10.101 -30.584 -9.652 1.00 25.42 C ATOM 962 C GLN A 121 9.565 -30.084 -11.007 1.00 22.59 C ATOM 963 O GLN A 121 10.052 -29.091 -11.539 1.00 21.67 O ATOM 964 CB GLN A 121 11.322 -31.522 -9.824 1.00 30.47 C ATOM 965 CG GLN A 121 11.887 -31.672 -11.247 1.00 36.83 C ATOM 966 CD GLN A 121 12.711 -30.469 -11.736 1.00 46.06 C ATOM 967 OE1 GLN A 121 12.346 -29.799 -12.721 1.00 44.86 O ATOM 968 NE2 GLN A 121 13.835 -30.187 -11.046 1.00 52.03 N ATOM 0 H GLN A 121 9.264 -32.009 -8.581 1.00 23.63 H new ATOM 0 HA GLN A 121 10.400 -29.797 -9.169 1.00 25.42 H new ATOM 0 HB2 GLN A 121 12.034 -31.200 -9.249 1.00 30.47 H new ATOM 0 HB3 GLN A 121 11.074 -32.403 -9.503 1.00 30.47 H new ATOM 0 HG2 GLN A 121 12.444 -32.466 -11.280 1.00 36.83 H new ATOM 0 HG3 GLN A 121 11.151 -31.816 -11.862 1.00 36.83 H new ATOM 0 HE21 GLN A 121 14.058 -30.670 -10.370 1.00 52.03 H new ATOM 0 HE22 GLN A 121 14.329 -29.524 -11.282 1.00 52.03 H new ATOM 969 N ALA A 122 8.581 -30.774 -11.570 1.00 22.36 N ATOM 970 CA ALA A 122 7.920 -30.302 -12.816 1.00 21.16 C ATOM 971 C ALA A 122 7.460 -28.847 -12.707 1.00 20.10 C ATOM 972 O ALA A 122 7.538 -28.102 -13.702 1.00 16.55 O ATOM 973 CB ALA A 122 6.755 -31.215 -13.197 1.00 21.86 C ATOM 0 H ALA A 122 8.273 -31.515 -11.260 1.00 22.36 H new ATOM 0 HA ALA A 122 8.583 -30.341 -13.523 1.00 21.16 H new ATOM 0 HB1 ALA A 122 6.340 -30.888 -14.011 1.00 21.86 H new ATOM 0 HB2 ALA A 122 7.084 -32.116 -13.341 1.00 21.86 H new ATOM 0 HB3 ALA A 122 6.101 -31.221 -12.481 1.00 21.86 H new ATOM 974 N TRP A 123 7.055 -28.414 -11.506 1.00 19.19 N ATOM 975 CA TRP A 123 6.557 -27.018 -11.345 1.00 20.70 C ATOM 976 C TRP A 123 7.610 -25.887 -11.538 1.00 22.66 C ATOM 977 O TRP A 123 7.240 -24.701 -11.724 1.00 22.48 O ATOM 978 CB TRP A 123 5.831 -26.878 -9.995 1.00 21.26 C ATOM 979 CG TRP A 123 4.563 -27.665 -9.987 1.00 20.24 C ATOM 980 CD1 TRP A 123 4.349 -28.861 -9.389 1.00 19.73 C ATOM 981 CD2 TRP A 123 3.335 -27.320 -10.650 1.00 20.20 C ATOM 982 NE1 TRP A 123 3.071 -29.296 -9.630 1.00 18.97 N ATOM 983 CE2 TRP A 123 2.422 -28.367 -10.400 1.00 19.39 C ATOM 984 CE3 TRP A 123 2.913 -26.211 -11.420 1.00 20.50 C ATOM 985 CZ2 TRP A 123 1.104 -28.344 -10.881 1.00 19.52 C ATOM 986 CZ3 TRP A 123 1.598 -26.198 -11.924 1.00 19.82 C ATOM 987 CH2 TRP A 123 0.712 -27.264 -11.653 1.00 19.95 C ATOM 0 H TRP A 123 7.056 -28.887 -10.788 1.00 19.19 H new ATOM 0 HA TRP A 123 5.942 -26.882 -12.082 1.00 20.70 H new ATOM 0 HB2 TRP A 123 6.410 -27.183 -9.279 1.00 21.26 H new ATOM 0 HB3 TRP A 123 5.637 -25.943 -9.824 1.00 21.26 H new ATOM 0 HD1 TRP A 123 4.980 -29.323 -8.886 1.00 19.73 H new ATOM 0 HE1 TRP A 123 2.732 -30.033 -9.344 1.00 18.97 H new ATOM 0 HE3 TRP A 123 3.493 -25.504 -11.590 1.00 20.50 H new ATOM 0 HZ2 TRP A 123 0.511 -29.034 -10.687 1.00 19.52 H new ATOM 0 HZ3 TRP A 123 1.310 -25.480 -12.441 1.00 19.82 H new ATOM 0 HH2 TRP A 123 -0.151 -27.240 -12.000 1.00 19.95 H new ATOM 988 N ILE A 124 8.910 -26.249 -11.497 1.00 24.01 N ATOM 989 CA ILE A 124 10.002 -25.329 -11.774 1.00 26.42 C ATOM 990 C ILE A 124 10.825 -25.699 -13.012 1.00 27.43 C ATOM 991 O ILE A 124 11.833 -25.066 -13.294 1.00 30.50 O ATOM 992 CB ILE A 124 10.914 -25.135 -10.552 1.00 26.48 C ATOM 993 CG1 ILE A 124 11.592 -26.442 -10.125 1.00 30.28 C ATOM 994 CG2 ILE A 124 10.070 -24.597 -9.411 1.00 27.46 C ATOM 995 CD1 ILE A 124 12.770 -26.229 -9.177 1.00 30.73 C ATOM 0 H ILE A 124 9.170 -27.046 -11.305 1.00 24.01 H new ATOM 0 HA ILE A 124 9.572 -24.483 -11.975 1.00 26.42 H new ATOM 0 HB ILE A 124 11.620 -24.512 -10.787 1.00 26.48 H new ATOM 0 HG12 ILE A 124 10.937 -27.013 -9.694 1.00 30.28 H new ATOM 0 HG13 ILE A 124 11.902 -26.912 -10.915 1.00 30.28 H new ATOM 0 HG21 ILE A 124 10.628 -24.467 -8.628 1.00 27.46 H new ATOM 0 HG22 ILE A 124 9.677 -23.749 -9.671 1.00 27.46 H new ATOM 0 HG23 ILE A 124 9.365 -25.230 -9.203 1.00 27.46 H new ATOM 0 HD11 ILE A 124 13.157 -27.087 -8.943 1.00 30.73 H new ATOM 0 HD12 ILE A 124 13.441 -25.681 -9.613 1.00 30.73 H new ATOM 0 HD13 ILE A 124 12.462 -25.784 -8.372 1.00 30.73 H new ATOM 996 N ARG A 125 10.357 -26.676 -13.767 1.00 28.32 N ATOM 997 CA ARG A 125 11.039 -27.142 -14.976 1.00 32.00 C ATOM 998 C ARG A 125 10.969 -26.025 -16.006 1.00 28.54 C ATOM 999 O ARG A 125 9.915 -25.441 -16.217 1.00 25.77 O ATOM 1000 CB ARG A 125 10.349 -28.422 -15.467 1.00 36.62 C ATOM 1001 CG ARG A 125 11.026 -29.200 -16.571 1.00 43.51 C ATOM 1002 CD ARG A 125 10.392 -30.589 -16.661 1.00 50.84 C ATOM 1003 NE ARG A 125 10.852 -31.463 -15.558 1.00 54.54 N ATOM 1004 CZ ARG A 125 10.170 -32.478 -15.020 1.00 56.22 C ATOM 1005 NH1 ARG A 125 10.710 -33.175 -14.021 1.00 58.07 N ATOM 1006 NH2 ARG A 125 8.951 -32.803 -15.453 1.00 58.82 N ATOM 0 H ARG A 125 9.627 -27.097 -13.596 1.00 28.32 H new ATOM 0 HA ARG A 125 11.971 -27.354 -14.810 1.00 32.00 H new ATOM 0 HB2 ARG A 125 10.241 -29.014 -14.706 1.00 36.62 H new ATOM 0 HB3 ARG A 125 9.459 -28.185 -15.771 1.00 36.62 H new ATOM 0 HG2 ARG A 125 10.932 -28.733 -17.416 1.00 43.51 H new ATOM 0 HG3 ARG A 125 11.976 -29.276 -16.393 1.00 43.51 H new ATOM 0 HD2 ARG A 125 9.426 -30.508 -16.631 1.00 50.84 H new ATOM 0 HD3 ARG A 125 10.616 -30.995 -17.513 1.00 50.84 H new ATOM 0 HE ARG A 125 11.632 -31.302 -15.233 1.00 54.54 H new ATOM 0 HH11 ARG A 125 11.492 -32.970 -13.727 1.00 58.07 H new ATOM 0 HH12 ARG A 125 10.277 -33.830 -13.670 1.00 58.07 H new ATOM 0 HH21 ARG A 125 8.588 -32.356 -16.092 1.00 58.82 H new ATOM 0 HH22 ARG A 125 8.528 -33.460 -15.094 1.00 58.82 H new ATOM 1007 N GLY A 126 12.121 -25.663 -16.563 1.00 31.83 N ATOM 1008 CA GLY A 126 12.209 -24.634 -17.618 1.00 29.41 C ATOM 1009 C GLY A 126 12.397 -23.210 -17.106 1.00 28.92 C ATOM 1010 O GLY A 126 12.588 -22.281 -17.891 1.00 29.32 O ATOM 0 H GLY A 126 12.880 -26.004 -16.345 1.00 31.83 H new ATOM 0 HA2 GLY A 126 12.949 -24.854 -18.206 1.00 29.41 H new ATOM 0 HA3 GLY A 126 11.401 -24.668 -18.154 1.00 29.41 H new ATOM 1011 N CYS A 127 12.352 -23.027 -15.792 1.00 27.47 N ATOM 1012 CA CYS A 127 12.463 -21.712 -15.193 1.00 25.77 C ATOM 1013 C CYS A 127 13.924 -21.364 -14.931 1.00 26.92 C ATOM 1014 O CYS A 127 14.690 -22.187 -14.407 1.00 24.90 O ATOM 1015 CB CYS A 127 11.676 -21.649 -13.871 1.00 24.96 C ATOM 1016 SG CYS A 127 9.946 -22.161 -14.005 1.00 24.98 S ATOM 0 H CYS A 127 12.256 -23.666 -15.224 1.00 27.47 H new ATOM 0 HA CYS A 127 12.089 -21.069 -15.815 1.00 25.77 H new ATOM 0 HB2 CYS A 127 12.119 -22.212 -13.217 1.00 24.96 H new ATOM 0 HB3 CYS A 127 11.708 -20.741 -13.532 1.00 24.96 H new ATOM 1017 N ARG A 128 14.248 -20.110 -15.251 1.00 28.60 N ATOM 1018 CA ARG A 128 15.553 -19.522 -15.087 1.00 31.96 C ATOM 1019 C ARG A 128 15.678 -19.080 -13.624 1.00 35.43 C ATOM 1020 O ARG A 128 15.241 -17.985 -13.239 1.00 40.18 O ATOM 1021 CB ARG A 128 15.703 -18.343 -16.066 1.00 34.16 C ATOM 1022 CG ARG A 128 17.072 -18.252 -16.687 1.00 41.13 C ATOM 1023 CD ARG A 128 17.212 -17.085 -17.663 1.00 44.81 C ATOM 1024 NE ARG A 128 16.854 -17.400 -19.061 1.00 50.10 N ATOM 1025 CZ ARG A 128 15.765 -16.980 -19.729 1.00 54.72 C ATOM 1026 NH1 ARG A 128 14.821 -16.203 -19.181 1.00 53.00 N ATOM 1027 NH2 ARG A 128 15.610 -17.361 -20.987 1.00 61.72 N ATOM 0 H ARG A 128 13.676 -19.561 -15.585 1.00 28.60 H new ATOM 0 HA ARG A 128 16.263 -20.152 -15.287 1.00 31.96 H new ATOM 0 HB2 ARG A 128 15.041 -18.429 -16.770 1.00 34.16 H new ATOM 0 HB3 ARG A 128 15.512 -17.516 -15.597 1.00 34.16 H new ATOM 0 HG2 ARG A 128 17.734 -18.160 -15.984 1.00 41.13 H new ATOM 0 HG3 ARG A 128 17.266 -19.081 -17.152 1.00 41.13 H new ATOM 0 HD2 ARG A 128 16.653 -16.354 -17.356 1.00 44.81 H new ATOM 0 HD3 ARG A 128 18.129 -16.769 -17.641 1.00 44.81 H new ATOM 0 HE ARG A 128 17.399 -17.905 -19.493 1.00 50.10 H new ATOM 0 HH11 ARG A 128 14.895 -15.948 -18.363 1.00 53.00 H new ATOM 0 HH12 ARG A 128 14.141 -15.959 -19.647 1.00 53.00 H new ATOM 0 HH21 ARG A 128 16.199 -17.866 -21.359 1.00 61.72 H new ATOM 0 HH22 ARG A 128 14.921 -17.104 -21.432 1.00 61.72 H new ATOM 1028 N LEU A 129 16.252 -19.949 -12.799 1.00 36.99 N ATOM 1029 CA LEU A 129 16.342 -19.699 -11.356 1.00 40.45 C ATOM 1030 C LEU A 129 17.781 -19.563 -10.901 1.00 42.78 C ATOM 1031 O LEU A 129 18.728 -20.109 -11.487 1.00 44.44 O ATOM 1032 CB LEU A 129 15.657 -20.825 -10.565 1.00 38.82 C ATOM 1033 CG LEU A 129 14.166 -21.022 -10.865 1.00 40.62 C ATOM 1034 CD1 LEU A 129 13.693 -22.348 -10.291 1.00 40.03 C ATOM 1035 CD2 LEU A 129 13.317 -19.864 -10.343 1.00 42.81 C ATOM 1036 OXT LEU A 129 18.008 -18.895 -9.906 1.00 44.21 O ATOM 0 H LEU A 129 16.598 -20.694 -13.052 1.00 36.99 H new ATOM 0 HA LEU A 129 15.886 -18.861 -11.182 1.00 40.45 H new ATOM 0 HB2 LEU A 129 16.121 -21.657 -10.747 1.00 38.82 H new ATOM 0 HB3 LEU A 129 15.760 -20.644 -9.618 1.00 38.82 H new ATOM 0 HG LEU A 129 14.055 -21.037 -11.829 1.00 40.62 H new ATOM 0 HD11 LEU A 129 12.750 -22.466 -10.484 1.00 40.03 H new ATOM 0 HD12 LEU A 129 14.198 -23.073 -10.692 1.00 40.03 H new ATOM 0 HD13 LEU A 129 13.829 -22.352 -9.331 1.00 40.03 H new ATOM 0 HD21 LEU A 129 12.384 -20.027 -10.552 1.00 42.81 H new ATOM 0 HD22 LEU A 129 13.424 -19.791 -9.382 1.00 42.81 H new ATOM 0 HD23 LEU A 129 13.603 -19.038 -10.763 1.00 42.81 H new TER 1037 LEU A 129 HETATM 1038 C1 GOL A 201 -4.083 -23.227 3.740 1.00 46.21 C HETATM 1039 O1 GOL A 201 -5.488 -23.324 3.376 1.00 43.20 O HETATM 1040 C2 GOL A 201 -3.685 -23.065 5.229 1.00 39.51 C HETATM 1041 O2 GOL A 201 -2.288 -22.851 5.375 1.00 40.79 O HETATM 1042 C3 GOL A 201 -4.268 -21.846 5.902 1.00 36.48 C HETATM 1043 O3 GOL A 201 -3.231 -21.076 6.478 1.00 29.30 O HETATM 0 HO3 GOL A 201 -3.450 -20.849 7.256 1.00 29.30 H new HETATM 0 HO2 GOL A 201 -2.157 -22.155 5.827 1.00 40.79 H new HETATM 0 HO1 GOL A 201 -5.732 -24.127 3.411 1.00 43.20 H new HETATM 0 H32 GOL A 201 -4.758 -21.313 5.256 1.00 36.48 H new HETATM 0 H31 GOL A 201 -4.901 -22.115 6.586 1.00 36.48 H new HETATM 0 H2 GOL A 201 -4.013 -23.887 5.626 1.00 39.51 H new HETATM 0 H12 GOL A 201 -3.642 -24.024 3.407 1.00 46.21 H new HETATM 0 H11 GOL A 201 -3.710 -22.473 3.257 1.00 46.21 H new HETATM 1044 PT1 CPT A 202 12.096 -11.504 1.509 0.30 37.35 PT HETATM 1045 N1 CPT A 202 13.671 -10.715 0.489 0.30 32.06 N HETATM 1046 N2 CPT A 202 13.289 -11.243 3.266 0.30 33.30 N HETATM 1047 CL2 CPT A 202 10.396 -12.393 2.586 0.30 28.62 CL HETATM 1048 PT1 BCPT A 203 8.597 -9.587 -4.171 0.20 55.16 PT HETATM 1049 O HOH A 301 -7.675 -13.897 12.656 1.00 7.06 O HETATM 1050 O HOH A 302 9.216 -27.730 10.960 1.00 40.83 O HETATM 1051 O HOH A 303 -0.803 -13.308 -2.009 1.00 21.39 O HETATM 1052 O HOH A 304 -18.274 -15.669 0.824 1.00 26.49 O HETATM 1053 O HOH A 305 -5.591 -26.120 1.429 1.00 24.21 O HETATM 1054 O HOH A 306 0.840 -11.535 -2.347 1.00 20.45 O HETATM 1055 O HOH A 307 -1.372 -33.246 -8.572 1.00 16.94 O HETATM 1056 O HOH A 308 -5.027 -35.926 3.107 1.00 27.09 O HETATM 1057 O HOH A 309 -12.951 -24.349 0.341 1.00 53.42 O HETATM 1058 O HOH A 310 8.253 -5.279 -0.242 1.00 35.98 O HETATM 1059 O HOH A 311 5.417 -21.663 13.611 1.00 33.10 O HETATM 1060 O HOH A 312 6.218 -14.289 11.304 1.00 38.24 O HETATM 1061 O HOH A 313 -7.261 -24.313 -7.502 1.00 25.33 O HETATM 1062 O HOH A 314 -3.466 -6.976 -5.149 1.00 30.79 O HETATM 1063 O HOH A 315 1.331 -6.915 1.824 1.00 24.66 O HETATM 1064 O HOH A 316 -5.189 -10.511 -9.369 1.00 16.65 O HETATM 1065 O HOH A 317 -2.707 -7.125 -7.737 1.00 21.54 O HETATM 1066 O HOH A 318 10.646 -10.188 4.641 1.00 46.64 O HETATM 1067 O HOH A 319 -3.929 -5.809 -0.464 1.00 30.19 O HETATM 1068 O HOH A 320 -13.411 -14.509 7.623 1.00 14.65 O HETATM 1069 O HOH A 321 -5.475 -25.917 3.946 1.00 22.60 O HETATM 1070 O HOH A 322 7.208 -35.091 -3.864 1.00 18.96 O HETATM 1071 O HOH A 323 3.065 -32.128 -9.046 1.00 15.44 O HETATM 1072 O HOH A 324 -6.552 -23.858 5.804 1.00 34.50 O HETATM 1073 O HOH A 325 2.643 -26.912 9.635 1.00 20.26 O HETATM 1074 O HOH A 326 -0.360 -17.983 -14.610 1.00 21.44 O HETATM 1075 O HOH A 327 6.341 -27.977 10.750 1.00 21.21 O HETATM 1076 O HOH A 328 -3.087 -4.505 3.529 1.00 30.13 O HETATM 1077 O HOH A 329 -11.064 -12.980 -4.093 1.00 14.12 O HETATM 1078 O HOH A 330 18.845 -22.620 -12.587 1.00 46.61 O HETATM 1079 O HOH A 331 10.358 -7.659 0.308 1.00 37.33 O HETATM 1080 O HOH A 332 -1.248 -16.403 0.723 1.00 14.01 O HETATM 1081 O HOH A 333 -7.312 -25.698 -3.297 1.00 26.01 O HETATM 1082 O HOH A 334 -8.535 -19.688 18.699 1.00 52.13 O HETATM 1083 O HOH A 335 8.649 -15.694 9.190 1.00 26.88 O HETATM 1084 O HOH A 336 5.031 -8.771 -7.832 1.00 26.04 O HETATM 1085 O HOH A 337 3.599 -8.201 0.847 1.00 19.28 O HETATM 1086 O HOH A 338 0.007 -38.229 3.552 1.00 22.20 O HETATM 1087 O HOH A 339 3.391 -40.685 -4.919 1.00 25.05 O HETATM 1088 O HOH A 340 2.510 -11.291 -13.784 1.00 35.64 O HETATM 1089 O HOH A 341 -2.490 -19.251 -13.412 1.00 19.91 O HETATM 1090 O HOH A 342 -0.980 -35.695 -3.144 1.00 17.94 O HETATM 1091 O HOH A 343 3.620 -11.637 7.104 1.00 27.79 O HETATM 1092 O HOH A 344 -11.896 -24.028 12.544 1.00 25.84 O HETATM 1093 O HOH A 345 1.241 -38.758 -3.747 1.00 23.07 O HETATM 1094 O HOH A 346 -9.459 -12.415 11.821 1.00 14.70 O HETATM 1095 O HOH A 347 8.379 -31.422 7.579 1.00 2.00 O HETATM 1096 O HOH A 348 -8.727 -22.168 -0.180 1.00 22.44 O HETATM 1097 O HOH A 349 15.129 -19.645 -1.829 1.00 29.67 O HETATM 1098 O HOH A 350 10.902 -31.317 5.075 1.00 16.30 O HETATM 1099 O HOH A 351 7.377 -10.345 -10.489 1.00 32.97 O HETATM 1100 O HOH A 352 11.357 -28.806 -6.632 1.00 6.68 O HETATM 1101 O HOH A 353 -0.973 -4.879 -4.668 1.00 28.20 O HETATM 1102 O HOH A 354 -18.470 -9.570 5.909 1.00 21.45 O HETATM 1103 O HOH A 355 12.350 -17.735 -13.502 1.00 33.39 O HETATM 1104 O HOH A 356 13.965 -24.264 13.835 1.00 37.86 O HETATM 1105 O HOH A 357 -12.493 -12.517 18.460 0.50 30.29 O HETATM 1106 O HOH A 358 -7.888 -17.424 -8.273 1.00 26.76 O HETATM 1107 O HOH A 359 1.556 -10.855 0.183 1.00 12.75 O HETATM 1108 O HOH A 360 -7.712 -27.488 -10.333 1.00 17.75 O HETATM 1109 O HOH A 361 -2.189 -9.892 -13.259 1.00 24.39 O HETATM 1110 O HOH A 362 -5.504 -24.287 -10.157 1.00 36.01 O HETATM 1111 O HOH A 363 -0.947 -22.828 15.553 1.00 43.80 O HETATM 1112 O HOH A 364 9.160 -12.498 -9.975 1.00 26.15 O HETATM 1113 O HOH A 365 14.776 -23.706 6.986 1.00 25.75 O HETATM 1114 O HOH A 366 14.843 -24.920 -13.059 1.00 44.29 O HETATM 1115 O HOH A 367 -4.195 -32.444 -8.715 1.00 19.57 O HETATM 1116 O HOH A 368 -16.501 -16.474 11.421 1.00 34.24 O HETATM 1117 O HOH A 369 -9.005 -23.614 4.710 1.00 45.06 O HETATM 1118 O HOH A 370 4.697 -12.374 9.538 1.00 28.23 O HETATM 1119 O HOH A 371 6.210 -19.629 -16.608 1.00 21.14 O HETATM 1120 O HOH A 372 6.369 -33.668 -1.785 1.00 30.52 O HETATM 1121 O HOH A 373 0.431 -36.234 7.187 1.00 24.91 O HETATM 1122 O HOH A 374 -10.081 -5.506 12.438 1.00 5.50 O HETATM 1123 O HOH A 375 9.720 -32.851 -2.666 1.00 26.04 O HETATM 1124 O HOH A 376 3.676 -36.903 -10.361 1.00 19.28 O HETATM 1125 O HOH A 377 -10.719 -23.238 9.382 1.00 26.28 O HETATM 1126 O HOH A 378 -5.132 -5.790 11.384 1.00 14.05 O HETATM 1127 O HOH A 379 -7.198 -11.911 14.336 1.00 17.44 O HETATM 1128 O HOH A 380 12.058 -18.166 -16.431 1.00 24.62 O HETATM 1129 O HOH A 381 16.011 -26.083 5.893 1.00 41.07 O HETATM 1130 O HOH A 382 -2.625 -13.185 17.985 1.00 18.68 O HETATM 1131 O HOH A 383 -8.685 -22.988 -2.641 1.00 33.81 O HETATM 1132 O HOH A 384 6.393 -16.909 -15.902 1.00 16.15 O HETATM 1133 O HOH A 385 20.871 -21.057 -9.289 0.50 44.96 O HETATM 1134 O HOH A 386 -11.370 -11.361 14.003 1.00 3.02 O HETATM 1135 O HOH A 387 -9.122 -20.202 -11.175 1.00 46.64 O HETATM 1136 O HOH A 388 -2.185 -6.720 11.976 1.00 14.03 O HETATM 1137 O HOH A 389 -8.382 -20.475 16.353 1.00 38.74 O HETATM 1138 O HOH A 390 -5.199 -8.665 15.544 1.00 13.49 O HETATM 1139 O HOH A 391 14.172 -16.754 6.297 1.00 33.69 O HETATM 1140 O HOH A 392 6.957 -38.544 -7.646 1.00 33.86 O HETATM 1141 O HOH A 393 -13.932 -11.416 15.503 1.00 21.73 O HETATM 1142 O HOH A 394 -10.238 -22.497 -4.066 1.00 40.70 O HETATM 1143 O HOH A 395 10.091 -34.066 -7.215 1.00 29.46 O HETATM 1144 O HOH A 396 -7.642 -17.044 -10.689 1.00 20.94 O HETATM 1145 O HOH A 397 2.654 -19.172 -16.839 1.00 38.79 O HETATM 1146 O HOH A 398 1.461 -15.286 20.165 1.00 52.31 O HETATM 1147 O HOH A 399 3.433 -38.669 -0.329 1.00 27.23 O HETATM 1148 O HOH A 400 -1.655 -29.285 9.736 1.00 51.03 O HETATM 1149 O HOH A 401 -6.075 -21.260 -15.908 1.00 29.36 O HETATM 1150 O HOH A 402 -2.583 -24.294 14.233 1.00 37.75 O HETATM 1151 O HOH A 403 3.443 -23.058 -18.216 1.00 44.46 O HETATM 1152 O HOH A 404 -15.081 -15.081 0.000 0.50 46.67 O HETATM 1153 O HOH A 405 -18.682 -21.095 3.244 1.00 59.49 O HETATM 1154 O HOH A 406 -2.064 -4.506 -1.842 1.00 32.54 O HETATM 1155 O HOH A 407 0.900 -23.401 -14.719 1.00 15.24 O HETATM 1156 O HOH A 408 -1.652 -4.562 1.454 1.00 31.47 O HETATM 1157 O HOH A 409 7.332 -11.609 9.043 1.00 49.94 O HETATM 1158 O HOH A 410 -6.162 -11.134 16.807 1.00 42.36 O HETATM 1159 O HOH A 411 0.310 -31.826 -10.605 1.00 27.59 O HETATM 1160 O HOH A 412 4.982 -9.336 6.487 1.00 21.24 O HETATM 1161 O HOH A 413 15.591 -15.599 -9.216 0.50 45.72 O HETATM 1162 O HOH A 414 12.079 -12.081 -9.232 0.50 21.57 O HETATM 1163 O HOH A 415 3.462 -29.154 -14.018 1.00 28.87 O HETATM 1164 O HOH A 416 0.649 -38.808 0.923 1.00 19.42 O HETATM 1165 O HOH A 417 -11.202 -5.675 14.735 1.00 45.40 O CONECT 48 1016 CONECT 107 1048 CONECT 115 1044 CONECT 118 1048 CONECT 257 924 CONECT 540 665 CONECT 628 759 CONECT 665 540 CONECT 759 628 CONECT 924 257 CONECT 1016 48 CONECT 1038 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1042 CONECT 1041 1040 CONECT 1042 1040 1043 CONECT 1043 1042 CONECT 1044 115 1045 1046 1047 CONECT 1045 1044 CONECT 1046 1044 CONECT 1047 1044 CONECT 1048 107 118 END