USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 10-DEC-15 5F9U TITLE X-RAY STRUCTURE OF THE ADDUCT BETWEEN HEN EGG WHITE LYSOZYME AND TITLE 2 CISPLATIN UPON 24 HOURS OF INCUBATION AT 20 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 5F9U 1 JRNL REVDAT 1 13-APR-16 5F9U 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. 1.85 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) : 1.85 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 55.71 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 9758 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) : 0.173 REMARK 3 R VALUE (WORKING SET) : 0.170 REMARK 3 FREE R VALUE : 0.233 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 518 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) : 1.85 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.90 REMARK 3 REFLECTION IN BIN (WORKING SET) : 631 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 88.61 REMARK 3 BIN R VALUE (WORKING SET) : 0.3490 REMARK 3 BIN FREE R VALUE SET COUNT : 30 REMARK 3 BIN FREE R VALUE : 0.3490 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 : 13 REMARK 3 SOLVENT ATOMS : 122 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 27.35 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.02000 REMARK 3 B22 (A**2) : -0.02000 REMARK 3 B33 (A**2) : 0.03000 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): 0.151 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.151 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.110 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.883 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.964 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.935 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1047 ; 0.018 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): 959 ; 0.003 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1422 ; 1.803 ; 1.919 REMARK 3 BOND ANGLES OTHERS (DEGREES): 2183 ; 1.132 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 130 ; 6.593 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 51 ;35.382 ;22.745 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 169 ;13.014 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;23.680 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 146 ; 0.120 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1235 ; 0.009 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 277 ; 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): 520 ; 1.943 ; 2.365 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 519 ; 1.931 ; 2.360 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 650 ; 2.605 ; 3.535 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): 651 ; 2.611 ; 3.540 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 527 ; 3.556 ; 2.841 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): 522 ; 3.492 ; 2.819 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): 772 ; 5.324 ; 4.109 REMARK 3 LONG RANGE B REFINED ATOMS (A**2): 1320 ; 7.716 ;20.947 REMARK 3 LONG RANGE B OTHER ATOMS (A**2): 1286 ; 7.416 ;20.474 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 5F9U 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_1000216227. 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 : 10302 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.850 REMARK 200 RESOLUTION RANGE LOW (A) : 55.710 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.6 REMARK 200 DATA REDUNDANCY : 5.500 REMARK 200 R MERGE (I) : 0.12300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 16.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.85 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.88 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.7 REMARK 200 DATA REDUNDANCY IN SHELL : 2.90 REMARK 200 R MERGE FOR SHELL (I) : 0.98900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 5.300 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 (%): 38.56 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 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 18.48750 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.39250 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.39250 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.73125 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.39250 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.39250 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.24375 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.39250 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.39250 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.73125 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.39250 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.39250 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.24375 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 18.48750 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: 6410 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 344 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 349 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 410 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 416 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 418 LIES ON A SPECIAL POSITION. 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 CYS A 115 -51.39 -122.82 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 CPT A 203 N1 97.0 REMARK 620 3 CPT A 203 CL2 178.8 82.8 REMARK 620 4 HIS A 15 NE2 82.6 179.6 97.5 REMARK 620 N 1 2 3 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 91.7 REMARK 620 3 CPT A 202 N2 179.8 88.5 REMARK 620 4 CPT A 202 CL2 88.0 179.2 91.7 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 DBREF 5F9U 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 3 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 *122(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 2.02 SSBOND *** CYS A 30 CYS A 115 1555 1555 2.04 SSBOND *** CYS A 64 CYS A 80 1555 1555 2.08 SSBOND *** CYS A 76 CYS A 94 1555 1555 2.06 LINK NH1 ARG A 14 PT1 BCPT A 203 1555 1555 2.10 LINK ND1 HIS A 15 PT1 CPT A 202 1555 1555 2.13 LINK NE2 HIS A 15 PT1 BCPT A 203 1555 1555 2.34 SITE *** AC1 7 GLN A 57 ILE A 58 ASN A 59 TRP A 63 SITE *** AC1 7 ALA A 107 TRP A 108 HOH A 330 SITE *** AC2 3 ARG A 14 HIS A 15 ASN A 93 SITE *** AC3 7 ARG A 14 HIS A 15 ILE A 88 HOH A 311 SITE *** AC3 7 HOH A 336 HOH A 350 HOH A 378 CRYST1 78.785 78.785 36.975 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 0.012693 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012693 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027045 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 NoAdj-H: A 14 ARGHH11 : A 14 ARG NH1 : A 203 CPTPT1 B:(H bumps) USER MOD NoAdj-H: A 15 HIS HD1 : A 15 HIS ND1 : A 202 CPTPT1 :(H bumps) USER MOD Set 1.1: A 106 ASN : amide:sc= 0.897 K(o=2.2,f=-5.5!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 179:sc= 1.26 (180deg=0.428) USER MOD Set 2.1: A 60 SER OG : rot 129:sc= 1.47 USER MOD Set 2.2: A 69 THR OG1 : rot 76:sc= 1.74 USER MOD Set 3.1: A 46 ASN : amide:sc= 0.882 K(o=0.0046,f=-1.4) USER MOD Set 3.2: A 50 SER OG : rot -85:sc= 1.85 USER MOD Set 3.3: A 59 ASN : amide:sc= -2.73! C(o=0.0046!,f=-6.7!) USER MOD Set 4.1: A 44 ASN : amide:sc= 0.312 K(o=2.3,f=0.49) USER MOD Set 4.2: A 57 GLN : amide:sc= 2.01 K(o=2.3,f=-0.61) USER MOD Set 5.1: A 33 LYS NZ :NH3+ 171:sc= 1.11 (180deg=0) USER MOD Set 5.2: A 37 ASN : amide:sc= 0.856 K(o=2,f=-6!) USER MOD Set 6.1: A 24 SER OG : rot 121:sc= 0.381 USER MOD Set 6.2: A 27 ASN : amide:sc= 0.807 K(o=1.2,f=-2.6!) USER MOD Set 7.1: A 1 LYS N :NH3+ 179:sc= 3.03 (180deg=2.08) USER MOD Set 7.2: A 40 THR OG1 : rot 106:sc= 0.83 USER MOD Single : A 1 LYS NZ :NH3+ 163:sc= 1.3 (180deg=1.21) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0888) USER MOD Single : A 19 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.018) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 30:sc= 0.731 USER MOD Single : A 36 SER OG : rot -117:sc= 0.809 USER MOD Single : A 39 ASN : amide:sc= 0.98 K(o=0.98,f=-3.1) USER MOD Single : A 41 GLN : amide:sc= 0.41 X(o=0.41,f=0.63) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 84:sc= 1.83 USER MOD Single : A 53 TYR OH : rot 13:sc= 2.36 USER MOD Single : A 65 ASN : amide:sc= 1.62 K(o=1.6,f=0.88) USER MOD Single : A 72 SER OG : rot -92:sc= 1.62 USER MOD Single : A 74 ASN : amide:sc= -0.531 K(o=-0.53,f=-6!) USER MOD Single : A 77 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.034) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 170:sc= 0.0162 USER MOD Single : A 86 SER OG : rot -109:sc= 0.0266 USER MOD Single : A 89 THR OG1 : rot 81:sc= 1.3 USER MOD Single : A 91 SER OG : rot 79:sc= 1.47 USER MOD Single : A 93 ASN : amide:sc= -0.0833 K(o=-0.083,f=-1.7!) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= 1.38 (180deg=0.0803) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0.808 (180deg=0.448) USER MOD Single : A 100 SER OG : rot 86:sc= 1.41 USER MOD Single : A 103 ASN : amide:sc= -0.0861 X(o=-0.086,f=0) USER MOD Single : A 105 MET CE :methyl 166:sc= -0.105 (180deg=-0.322) USER MOD Single : A 113 ASN : amide:sc=-0.00609 K(o=-0.0061,f=-1.2) USER MOD Single : A 118 THR OG1 : rot -57:sc= 2.35 USER MOD Single : A 121 GLN : amide:sc= -0.794 X(o=-0.79,f=-0.61) USER MOD Single : A 201 GOL O1 : rot 97:sc= 1.23 USER MOD Single : A 201 GOL O2 : rot 107:sc= 0.719 USER MOD Single : A 201 GOL O3 : rot -133:sc= 0.334 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.969 -9.944 -8.613 1.00 22.82 N ATOM 2 CA LYS A 1 -2.029 -10.287 -9.689 1.00 23.99 C ATOM 3 C LYS A 1 -2.107 -11.797 -9.897 1.00 25.47 C ATOM 4 O LYS A 1 -2.033 -12.583 -8.904 1.00 22.51 O ATOM 5 CB LYS A 1 -0.608 -9.900 -9.278 1.00 24.65 C ATOM 6 CG LYS A 1 0.432 -10.297 -10.290 1.00 26.46 C ATOM 7 CD LYS A 1 1.820 -9.834 -9.890 1.00 28.79 C ATOM 8 CE LYS A 1 2.786 -10.450 -10.912 1.00 34.47 C ATOM 9 NZ LYS A 1 4.165 -9.916 -10.815 1.00 38.04 N ATOM 0 H1 LYS A 1 -2.936 -9.068 -8.458 1.00 22.82 H new ATOM 0 H2 LYS A 1 -3.795 -10.171 -8.856 1.00 22.82 H new ATOM 0 H3 LYS A 1 -2.747 -10.385 -7.873 1.00 22.82 H new ATOM 0 HA LYS A 1 -2.254 -9.813 -10.505 1.00 23.99 H new ATOM 0 HB2 LYS A 1 -0.567 -8.941 -9.141 1.00 24.65 H new ATOM 0 HB3 LYS A 1 -0.399 -10.317 -8.428 1.00 24.65 H new ATOM 0 HG2 LYS A 1 0.431 -11.262 -10.393 1.00 26.46 H new ATOM 0 HG3 LYS A 1 0.202 -9.920 -11.154 1.00 26.46 H new ATOM 0 HD2 LYS A 1 1.878 -8.866 -9.898 1.00 28.79 H new ATOM 0 HD3 LYS A 1 2.036 -10.124 -8.990 1.00 28.79 H new ATOM 0 HE2 LYS A 1 2.809 -11.412 -10.786 1.00 34.47 H new ATOM 0 HE3 LYS A 1 2.446 -10.289 -11.806 1.00 34.47 H new ATOM 0 HZ1 LYS A 1 4.725 -10.461 -11.240 1.00 38.04 H new ATOM 0 HZ2 LYS A 1 4.198 -9.109 -11.188 1.00 38.04 H new ATOM 0 HZ3 LYS A 1 4.401 -9.857 -9.959 1.00 38.04 H new ATOM 10 N VAL A 2 -2.266 -12.196 -11.151 1.00 23.67 N ATOM 11 CA VAL A 2 -2.163 -13.596 -11.523 1.00 21.76 C ATOM 12 C VAL A 2 -0.727 -13.822 -11.971 1.00 24.76 C ATOM 13 O VAL A 2 -0.284 -13.245 -12.996 1.00 23.37 O ATOM 14 CB VAL A 2 -3.177 -13.988 -12.625 1.00 23.53 C ATOM 15 CG1 VAL A 2 -3.071 -15.479 -12.971 1.00 25.59 C ATOM 16 CG2 VAL A 2 -4.632 -13.800 -12.184 1.00 22.19 C ATOM 0 H VAL A 2 -2.436 -11.665 -11.806 1.00 23.67 H new ATOM 0 HA VAL A 2 -2.383 -14.163 -10.767 1.00 21.76 H new ATOM 0 HB VAL A 2 -2.959 -13.412 -13.374 1.00 23.53 H new ATOM 0 HG11 VAL A 2 -3.715 -15.698 -13.662 1.00 25.59 H new ATOM 0 HG12 VAL A 2 -2.176 -15.674 -13.290 1.00 25.59 H new ATOM 0 HG13 VAL A 2 -3.254 -16.009 -12.179 1.00 25.59 H new ATOM 0 HG21 VAL A 2 -5.225 -14.058 -12.907 1.00 22.19 H new ATOM 0 HG22 VAL A 2 -4.809 -14.354 -11.407 1.00 22.19 H new ATOM 0 HG23 VAL A 2 -4.784 -12.869 -11.958 1.00 22.19 H new ATOM 17 N PHE A 3 0.030 -14.627 -11.227 1.00 22.87 N ATOM 18 CA PHE A 3 1.418 -14.898 -11.593 1.00 24.74 C ATOM 19 C PHE A 3 1.482 -15.943 -12.696 1.00 26.30 C ATOM 20 O PHE A 3 0.613 -16.817 -12.779 1.00 22.33 O ATOM 21 CB PHE A 3 2.205 -15.469 -10.451 1.00 26.34 C ATOM 22 CG PHE A 3 2.741 -14.449 -9.518 1.00 24.14 C ATOM 23 CD1 PHE A 3 1.901 -13.822 -8.604 1.00 24.67 C ATOM 24 CD2 PHE A 3 4.104 -14.123 -9.535 1.00 27.15 C ATOM 25 CE1 PHE A 3 2.417 -12.874 -7.742 1.00 23.29 C ATOM 26 CE2 PHE A 3 4.618 -13.180 -8.664 1.00 24.47 C ATOM 27 CZ PHE A 3 3.767 -12.561 -7.775 1.00 25.30 C ATOM 0 H PHE A 3 -0.239 -15.023 -10.512 1.00 22.87 H new ATOM 0 HA PHE A 3 1.788 -14.045 -11.870 1.00 24.74 H new ATOM 0 HB2 PHE A 3 1.640 -16.082 -9.955 1.00 26.34 H new ATOM 0 HB3 PHE A 3 2.943 -15.988 -10.807 1.00 26.34 H new ATOM 0 HD1 PHE A 3 0.997 -14.040 -8.573 1.00 24.67 H new ATOM 0 HD2 PHE A 3 4.670 -14.546 -10.140 1.00 27.15 H new ATOM 0 HE1 PHE A 3 1.857 -12.444 -7.137 1.00 23.29 H new ATOM 0 HE2 PHE A 3 5.523 -12.967 -8.678 1.00 24.47 H new ATOM 0 HZ PHE A 3 4.103 -11.923 -7.188 1.00 25.30 H new ATOM 28 N GLY A 4 2.541 -15.845 -13.528 1.00 26.91 N ATOM 29 CA GLY A 4 2.981 -16.976 -14.353 1.00 25.35 C ATOM 30 C GLY A 4 3.614 -18.039 -13.478 1.00 23.73 C ATOM 31 O GLY A 4 4.112 -17.760 -12.394 1.00 24.82 O ATOM 0 H GLY A 4 3.012 -15.132 -13.624 1.00 26.91 H new ATOM 0 HA2 GLY A 4 2.225 -17.349 -14.833 1.00 25.35 H new ATOM 0 HA3 GLY A 4 3.618 -16.672 -15.018 1.00 25.35 H new ATOM 32 N ARG A 5 3.639 -19.264 -13.955 1.00 25.21 N ATOM 33 CA ARG A 5 4.276 -20.338 -13.206 1.00 25.40 C ATOM 34 C ARG A 5 5.730 -20.018 -12.837 1.00 25.18 C ATOM 35 O ARG A 5 6.130 -19.928 -11.645 1.00 23.04 O ATOM 36 CB ARG A 5 4.131 -21.647 -14.029 1.00 27.77 C ATOM 37 CG ARG A 5 4.885 -22.850 -13.483 1.00 25.66 C ATOM 38 CD ARG A 5 4.538 -24.093 -14.290 1.00 31.23 C ATOM 39 NE ARG A 5 5.151 -24.087 -15.625 1.00 31.58 N ATOM 40 CZ ARG A 5 6.427 -24.375 -15.890 1.00 33.09 C ATOM 41 NH1 ARG A 5 7.297 -24.689 -14.926 1.00 32.15 N ATOM 42 NH2 ARG A 5 6.851 -24.323 -17.143 1.00 35.04 N ATOM 0 H ARG A 5 3.296 -19.501 -14.707 1.00 25.21 H new ATOM 0 HA ARG A 5 3.832 -20.448 -12.351 1.00 25.40 H new ATOM 0 HB2 ARG A 5 3.189 -21.873 -14.085 1.00 27.77 H new ATOM 0 HB3 ARG A 5 4.436 -21.477 -14.934 1.00 27.77 H new ATOM 0 HG2 ARG A 5 5.840 -22.687 -13.521 1.00 25.66 H new ATOM 0 HG3 ARG A 5 4.658 -22.987 -12.550 1.00 25.66 H new ATOM 0 HD2 ARG A 5 4.831 -24.881 -13.806 1.00 31.23 H new ATOM 0 HD3 ARG A 5 3.574 -24.158 -14.380 1.00 31.23 H new ATOM 0 HE ARG A 5 4.646 -23.881 -16.290 1.00 31.58 H new ATOM 0 HH11 ARG A 5 7.040 -24.710 -14.105 1.00 32.15 H new ATOM 0 HH12 ARG A 5 8.114 -24.870 -15.126 1.00 32.15 H new ATOM 0 HH21 ARG A 5 6.307 -24.106 -17.772 1.00 35.04 H new ATOM 0 HH22 ARG A 5 7.671 -24.506 -17.328 1.00 35.04 H new ATOM 43 N CYS A 6 6.564 -19.813 -13.859 1.00 26.08 N ATOM 44 CA CYS A 6 7.976 -19.557 -13.604 1.00 25.78 C ATOM 45 C CYS A 6 8.176 -18.218 -12.896 1.00 23.30 C ATOM 46 O CYS A 6 9.149 -18.030 -12.185 1.00 27.01 O ATOM 47 CB CYS A 6 8.857 -19.662 -14.913 1.00 26.44 C ATOM 48 SG CYS A 6 8.861 -21.323 -15.615 1.00 26.78 S ATOM 0 H CYS A 6 6.336 -19.818 -14.688 1.00 26.08 H new ATOM 0 HA CYS A 6 8.286 -20.257 -13.009 1.00 25.78 H new ATOM 0 HB2 CYS A 6 8.523 -19.036 -15.574 1.00 26.44 H new ATOM 0 HB3 CYS A 6 9.768 -19.399 -14.708 1.00 26.44 H new ATOM 49 N GLU A 7 7.305 -17.268 -13.139 1.00 22.28 N ATOM 50 CA GLU A 7 7.424 -15.974 -12.460 1.00 24.22 C ATOM 51 C GLU A 7 7.213 -16.160 -10.965 1.00 22.34 C ATOM 52 O GLU A 7 7.961 -15.641 -10.189 1.00 19.45 O ATOM 53 CB GLU A 7 6.383 -15.001 -12.986 1.00 26.37 C ATOM 54 CG GLU A 7 6.466 -13.617 -12.380 1.00 28.95 C ATOM 55 CD GLU A 7 5.276 -12.754 -12.776 1.00 28.77 C ATOM 56 OE1 GLU A 7 4.305 -13.299 -13.371 1.00 26.44 O ATOM 57 OE2 GLU A 7 5.334 -11.533 -12.414 1.00 33.88 O ATOM 0 H GLU A 7 6.642 -17.337 -13.683 1.00 22.28 H new ATOM 0 HA GLU A 7 8.310 -15.617 -12.630 1.00 24.22 H new ATOM 0 HB2 GLU A 7 6.480 -14.928 -13.948 1.00 26.37 H new ATOM 0 HB3 GLU A 7 5.500 -15.365 -12.817 1.00 26.37 H new ATOM 0 HG2 GLU A 7 6.506 -13.689 -11.413 1.00 28.95 H new ATOM 0 HG3 GLU A 7 7.287 -13.187 -12.667 1.00 28.95 H new ATOM 58 N LEU A 8 6.213 -16.957 -10.579 1.00 22.67 N ATOM 59 CA LEU A 8 6.034 -17.233 -9.111 1.00 21.05 C ATOM 60 C LEU A 8 7.159 -18.044 -8.500 1.00 21.29 C ATOM 61 O LEU A 8 7.613 -17.746 -7.397 1.00 20.84 O ATOM 62 CB LEU A 8 4.633 -17.850 -8.859 1.00 20.08 C ATOM 63 CG LEU A 8 4.255 -18.109 -7.424 1.00 20.94 C ATOM 64 CD1 LEU A 8 4.198 -16.805 -6.629 1.00 21.90 C ATOM 65 CD2 LEU A 8 2.956 -18.859 -7.382 1.00 22.83 C ATOM 0 H LEU A 8 5.647 -17.337 -11.103 1.00 22.67 H new ATOM 0 HA LEU A 8 6.081 -16.383 -8.646 1.00 21.05 H new ATOM 0 HB2 LEU A 8 3.968 -17.259 -9.245 1.00 20.08 H new ATOM 0 HB3 LEU A 8 4.581 -18.690 -9.342 1.00 20.08 H new ATOM 0 HG LEU A 8 4.935 -18.657 -7.002 1.00 20.94 H new ATOM 0 HD11 LEU A 8 3.953 -16.996 -5.710 1.00 21.90 H new ATOM 0 HD12 LEU A 8 5.067 -16.375 -6.649 1.00 21.90 H new ATOM 0 HD13 LEU A 8 3.537 -16.214 -7.023 1.00 21.90 H new ATOM 0 HD21 LEU A 8 2.709 -19.028 -6.459 1.00 22.83 H new ATOM 0 HD22 LEU A 8 2.264 -18.332 -7.810 1.00 22.83 H new ATOM 0 HD23 LEU A 8 3.054 -19.703 -7.849 1.00 22.83 H new ATOM 66 N ALA A 9 7.644 -19.061 -9.224 1.00 21.86 N ATOM 67 CA ALA A 9 8.807 -19.804 -8.783 1.00 20.29 C ATOM 68 C ALA A 9 9.945 -18.900 -8.482 1.00 20.36 C ATOM 69 O ALA A 9 10.555 -19.018 -7.420 1.00 21.23 O ATOM 70 CB ALA A 9 9.217 -20.904 -9.793 1.00 19.98 C ATOM 0 H ALA A 9 7.308 -19.328 -9.969 1.00 21.86 H new ATOM 0 HA ALA A 9 8.557 -20.253 -7.960 1.00 20.29 H new ATOM 0 HB1 ALA A 9 9.997 -21.375 -9.460 1.00 19.98 H new ATOM 0 HB2 ALA A 9 8.485 -21.530 -9.905 1.00 19.98 H new ATOM 0 HB3 ALA A 9 9.427 -20.497 -10.648 1.00 19.98 H new ATOM 71 N ALA A 10 10.246 -17.969 -9.383 1.00 22.47 N ATOM 72 CA ALA A 10 11.366 -17.013 -9.162 1.00 21.87 C ATOM 73 C ALA A 10 11.140 -16.130 -7.962 1.00 24.25 C ATOM 74 O ALA A 10 12.061 -15.895 -7.175 1.00 25.99 O ATOM 75 CB ALA A 10 11.592 -16.163 -10.404 1.00 23.38 C ATOM 0 H ALA A 10 9.827 -17.863 -10.126 1.00 22.47 H new ATOM 0 HA ALA A 10 12.160 -17.542 -8.985 1.00 21.87 H new ATOM 0 HB1 ALA A 10 12.323 -15.546 -10.245 1.00 23.38 H new ATOM 0 HB2 ALA A 10 11.811 -16.738 -11.154 1.00 23.38 H new ATOM 0 HB3 ALA A 10 10.786 -15.663 -10.605 1.00 23.38 H new ATOM 76 N ALA A 11 9.915 -15.598 -7.825 1.00 23.77 N ATOM 77 CA ALA A 11 9.575 -14.732 -6.676 1.00 23.60 C ATOM 78 C ALA A 11 9.641 -15.552 -5.365 1.00 22.30 C ATOM 79 O ALA A 11 10.200 -15.092 -4.360 1.00 21.13 O ATOM 80 CB ALA A 11 8.151 -14.173 -6.857 1.00 24.17 C ATOM 0 H ALA A 11 9.270 -15.724 -8.380 1.00 23.77 H new ATOM 0 HA ALA A 11 10.209 -14.000 -6.630 1.00 23.60 H new ATOM 0 HB1 ALA A 11 7.928 -13.605 -6.103 1.00 24.17 H new ATOM 0 HB2 ALA A 11 8.108 -13.655 -7.676 1.00 24.17 H new ATOM 0 HB3 ALA A 11 7.519 -14.907 -6.906 1.00 24.17 H new ATOM 81 N MET A 12 9.106 -16.778 -5.385 1.00 19.90 N ATOM 82 CA MET A 12 9.230 -17.662 -4.190 1.00 22.03 C ATOM 83 C MET A 12 10.681 -17.953 -3.787 1.00 21.97 C ATOM 84 O MET A 12 11.066 -17.965 -2.579 1.00 24.25 O ATOM 85 CB MET A 12 8.460 -18.948 -4.437 1.00 20.04 C ATOM 86 CG MET A 12 6.973 -18.740 -4.285 1.00 22.19 C ATOM 87 SD MET A 12 6.071 -20.272 -4.618 1.00 21.82 S ATOM 88 CE MET A 12 4.544 -19.907 -3.736 1.00 20.71 C ATOM 0 H MET A 12 8.680 -17.118 -6.050 1.00 19.90 H new ATOM 0 HA MET A 12 8.847 -17.185 -3.437 1.00 22.03 H new ATOM 0 HB2 MET A 12 8.653 -19.275 -5.330 1.00 20.04 H new ATOM 0 HB3 MET A 12 8.758 -19.630 -3.814 1.00 20.04 H new ATOM 0 HG2 MET A 12 6.776 -18.433 -3.386 1.00 22.19 H new ATOM 0 HG3 MET A 12 6.676 -18.046 -4.894 1.00 22.19 H new ATOM 0 HE1 MET A 12 3.934 -20.656 -3.821 1.00 20.71 H new ATOM 0 HE2 MET A 12 4.740 -19.755 -2.798 1.00 20.71 H new ATOM 0 HE3 MET A 12 4.134 -19.113 -4.113 1.00 20.71 H new ATOM 89 N LYS A 13 11.482 -18.228 -4.819 1.00 24.05 N ATOM 90 CA LYS A 13 12.920 -18.465 -4.651 1.00 27.70 C ATOM 91 C LYS A 13 13.638 -17.255 -4.028 1.00 25.18 C ATOM 92 O LYS A 13 14.383 -17.391 -3.072 1.00 25.48 O ATOM 93 CB LYS A 13 13.571 -18.823 -5.982 1.00 28.39 C ATOM 94 CG LYS A 13 15.029 -19.274 -5.847 1.00 33.74 C ATOM 95 CD LYS A 13 15.474 -19.918 -7.146 1.00 36.61 C ATOM 96 CE LYS A 13 16.970 -20.239 -7.195 1.00 43.26 C ATOM 97 NZ LYS A 13 17.476 -20.860 -5.961 1.00 44.47 N ATOM 0 H LYS A 13 11.209 -18.282 -5.633 1.00 24.05 H new ATOM 0 HA LYS A 13 13.011 -19.213 -4.040 1.00 27.70 H new ATOM 0 HB2 LYS A 13 13.059 -19.530 -6.405 1.00 28.39 H new ATOM 0 HB3 LYS A 13 13.531 -18.053 -6.571 1.00 28.39 H new ATOM 0 HG2 LYS A 13 15.596 -18.515 -5.639 1.00 33.74 H new ATOM 0 HG3 LYS A 13 15.118 -19.903 -5.114 1.00 33.74 H new ATOM 0 HD2 LYS A 13 14.971 -20.737 -7.280 1.00 36.61 H new ATOM 0 HD3 LYS A 13 15.254 -19.326 -7.883 1.00 36.61 H new ATOM 0 HE2 LYS A 13 17.142 -20.833 -7.942 1.00 43.26 H new ATOM 0 HE3 LYS A 13 17.464 -19.421 -7.364 1.00 43.26 H new ATOM 0 HZ1 LYS A 13 18.305 -21.155 -6.095 1.00 44.47 H new ATOM 0 HZ2 LYS A 13 17.478 -20.259 -5.305 1.00 44.47 H new ATOM 0 HZ3 LYS A 13 16.952 -21.543 -5.735 1.00 44.47 H new ATOM 98 N ARG A 14 13.371 -16.090 -4.551 1.00 26.65 N ATOM 99 CA ARG A 14 13.964 -14.856 -4.049 1.00 29.39 C ATOM 100 C ARG A 14 13.531 -14.597 -2.609 1.00 30.91 C ATOM 101 O ARG A 14 14.321 -14.150 -1.780 1.00 28.10 O ATOM 102 CB ARG A 14 13.530 -13.722 -4.958 1.00 35.01 C ATOM 103 CG ARG A 14 14.057 -12.372 -4.566 1.00 43.56 C ATOM 104 CD ARG A 14 13.593 -11.310 -5.556 1.00 50.62 C ATOM 105 NE ARG A 14 12.360 -10.706 -5.077 1.00 55.72 N ATOM 106 CZ ARG A 14 12.288 -9.847 -4.053 1.00 61.87 C ATOM 107 NH1 ARG A 14 11.110 -9.401 -3.691 1.00 57.63 N ATOM 108 NH2 ARG A 14 13.361 -9.459 -3.356 1.00 60.74 N ATOM 0 H ARG A 14 12.836 -15.978 -5.215 1.00 26.65 H new ATOM 0 HA ARG A 14 14.931 -14.926 -4.049 1.00 29.39 H new ATOM 0 HB2 ARG A 14 13.819 -13.919 -5.863 1.00 35.01 H new ATOM 0 HB3 ARG A 14 12.561 -13.687 -4.972 1.00 35.01 H new ATOM 0 HG2 ARG A 14 13.751 -12.146 -3.674 1.00 43.56 H new ATOM 0 HG3 ARG A 14 15.026 -12.393 -4.537 1.00 43.56 H new ATOM 0 HD2 ARG A 14 14.278 -10.631 -5.661 1.00 50.62 H new ATOM 0 HD3 ARG A 14 13.452 -11.708 -6.429 1.00 50.62 H new ATOM 0 HE ARG A 14 11.628 -10.915 -5.478 1.00 55.72 H new ATOM 0 HH12 ARG A 14 11.042 -8.848 -3.035 1.00 57.63 H new ATOM 0 HH21 ARG A 14 14.139 -9.764 -3.559 1.00 60.74 H new ATOM 0 HH22 ARG A 14 13.273 -8.905 -2.704 1.00 60.74 H new ATOM 109 N HIS A 15 12.288 -14.943 -2.267 1.00 30.02 N ATOM 110 CA HIS A 15 11.877 -14.743 -0.879 1.00 31.32 C ATOM 111 C HIS A 15 12.226 -15.890 0.066 1.00 26.80 C ATOM 112 O HIS A 15 11.727 -15.928 1.182 1.00 29.70 O ATOM 113 CB HIS A 15 10.418 -14.405 -0.820 1.00 33.30 C ATOM 114 CG HIS A 15 10.096 -13.045 -1.316 1.00 38.94 C ATOM 115 ND1 HIS A 15 10.542 -11.901 -0.691 1.00 48.70 N ATOM 116 CD2 HIS A 15 9.368 -12.639 -2.369 1.00 40.34 C ATOM 117 CE1 HIS A 15 10.021 -10.849 -1.292 1.00 48.06 C ATOM 118 NE2 HIS A 15 9.318 -11.273 -2.320 1.00 46.01 N ATOM 0 H HIS A 15 11.696 -15.278 -2.793 1.00 30.02 H new ATOM 0 HA HIS A 15 12.400 -13.995 -0.550 1.00 31.32 H new ATOM 0 HB2 HIS A 15 9.923 -15.056 -1.342 1.00 33.30 H new ATOM 0 HB3 HIS A 15 10.113 -14.486 0.097 1.00 33.30 H new ATOM 0 HD2 HIS A 15 8.972 -13.184 -3.011 1.00 40.34 H new ATOM 0 HE1 HIS A 15 10.131 -9.962 -1.034 1.00 48.06 H new ATOM 0 HE2 HIS A 15 8.894 -10.770 -2.874 1.00 46.01 H new ATOM 119 N GLY A 16 13.108 -16.796 -0.353 1.00 28.67 N ATOM 120 CA GLY A 16 13.690 -17.823 0.553 1.00 28.43 C ATOM 121 C GLY A 16 12.872 -19.115 0.761 1.00 26.25 C ATOM 122 O GLY A 16 13.128 -19.880 1.683 1.00 27.07 O ATOM 0 H GLY A 16 13.392 -16.843 -1.163 1.00 28.67 H new ATOM 0 HA2 GLY A 16 14.562 -18.070 0.208 1.00 28.43 H new ATOM 0 HA3 GLY A 16 13.834 -17.414 1.421 1.00 28.43 H new ATOM 123 N LEU A 17 11.930 -19.419 -0.117 1.00 24.97 N ATOM 124 CA LEU A 17 11.141 -20.674 0.027 1.00 25.61 C ATOM 125 C LEU A 17 11.773 -21.973 -0.490 1.00 26.34 C ATOM 126 O LEU A 17 11.402 -23.069 0.002 1.00 25.39 O ATOM 127 CB LEU A 17 9.779 -20.511 -0.623 1.00 26.20 C ATOM 128 CG LEU A 17 8.738 -19.752 0.178 1.00 27.41 C ATOM 129 CD1 LEU A 17 7.467 -19.708 -0.661 1.00 29.48 C ATOM 130 CD2 LEU A 17 8.386 -20.343 1.553 1.00 25.43 C ATOM 0 H LEU A 17 11.721 -18.935 -0.796 1.00 24.97 H new ATOM 0 HA LEU A 17 11.091 -20.789 0.989 1.00 25.61 H new ATOM 0 HB2 LEU A 17 9.899 -20.058 -1.472 1.00 26.20 H new ATOM 0 HB3 LEU A 17 9.428 -21.394 -0.819 1.00 26.20 H new ATOM 0 HG LEU A 17 9.122 -18.881 0.366 1.00 27.41 H new ATOM 0 HD11 LEU A 17 6.776 -19.228 -0.178 1.00 29.48 H new ATOM 0 HD12 LEU A 17 7.648 -19.256 -1.500 1.00 29.48 H new ATOM 0 HD13 LEU A 17 7.166 -20.612 -0.840 1.00 29.48 H new ATOM 0 HD21 LEU A 17 7.716 -19.788 1.982 1.00 25.43 H new ATOM 0 HD22 LEU A 17 8.037 -21.241 1.440 1.00 25.43 H new ATOM 0 HD23 LEU A 17 9.182 -20.373 2.106 1.00 25.43 H new ATOM 131 N ASP A 18 12.666 -21.916 -1.496 1.00 28.19 N ATOM 132 CA ASP A 18 13.301 -23.137 -2.059 1.00 29.78 C ATOM 133 C ASP A 18 14.049 -23.873 -1.006 1.00 28.06 C ATOM 134 O ASP A 18 14.974 -23.316 -0.430 1.00 28.91 O ATOM 135 CB ASP A 18 14.280 -22.825 -3.195 1.00 33.72 C ATOM 136 CG ASP A 18 14.740 -24.092 -3.977 1.00 38.13 C ATOM 137 OD1 ASP A 18 14.148 -25.239 -3.868 1.00 30.82 O ATOM 138 OD2 ASP A 18 15.698 -23.889 -4.799 1.00 42.08 O ATOM 0 H ASP A 18 12.920 -21.183 -1.868 1.00 28.19 H new ATOM 0 HA ASP A 18 12.574 -23.675 -2.410 1.00 29.78 H new ATOM 0 HB2 ASP A 18 13.862 -22.205 -3.813 1.00 33.72 H new ATOM 0 HB3 ASP A 18 15.059 -22.378 -2.829 1.00 33.72 H new ATOM 139 N ASN A 19 13.625 -25.112 -0.746 1.00 26.02 N ATOM 140 CA ASN A 19 13.999 -25.890 0.433 1.00 28.77 C ATOM 141 C ASN A 19 13.810 -25.336 1.839 1.00 26.59 C ATOM 142 O ASN A 19 14.387 -25.862 2.782 1.00 25.18 O ATOM 143 CB ASN A 19 15.408 -26.397 0.255 1.00 36.96 C ATOM 144 CG ASN A 19 15.431 -27.521 -0.721 1.00 42.34 C ATOM 145 OD1 ASN A 19 14.788 -28.578 -0.481 1.00 39.97 O ATOM 146 ND2 ASN A 19 16.080 -27.297 -1.859 1.00 46.78 N ATOM 0 H ASN A 19 13.093 -25.536 -1.272 1.00 26.02 H new ATOM 0 HA ASN A 19 13.317 -26.579 0.435 1.00 28.77 H new ATOM 0 HB2 ASN A 19 15.981 -25.678 -0.056 1.00 36.96 H new ATOM 0 HB3 ASN A 19 15.762 -26.693 1.108 1.00 36.96 H new ATOM 0 HD21 ASN A 19 16.075 -27.891 -2.481 1.00 46.78 H new ATOM 0 HD22 ASN A 19 16.504 -26.558 -1.974 1.00 46.78 H new ATOM 147 N TYR A 20 12.946 -24.332 2.008 1.00 24.41 N ATOM 148 CA TYR A 20 12.552 -23.891 3.356 1.00 22.96 C ATOM 149 C TYR A 20 11.902 -25.059 4.113 1.00 25.39 C ATOM 150 O TYR A 20 10.872 -25.625 3.639 1.00 24.80 O ATOM 151 CB TYR A 20 11.579 -22.696 3.301 1.00 24.48 C ATOM 152 CG TYR A 20 11.467 -22.049 4.667 1.00 24.32 C ATOM 153 CD1 TYR A 20 12.439 -21.127 5.129 1.00 24.15 C ATOM 154 CD2 TYR A 20 10.417 -22.363 5.513 1.00 24.44 C ATOM 155 CE1 TYR A 20 12.343 -20.557 6.408 1.00 24.62 C ATOM 156 CE2 TYR A 20 10.307 -21.806 6.770 1.00 24.67 C ATOM 157 CZ TYR A 20 11.262 -20.934 7.227 1.00 26.55 C ATOM 158 OH TYR A 20 11.050 -20.433 8.485 1.00 29.13 O ATOM 0 H TYR A 20 12.578 -23.895 1.365 1.00 24.41 H new ATOM 0 HA TYR A 20 13.352 -23.601 3.822 1.00 22.96 H new ATOM 0 HB2 TYR A 20 11.891 -22.046 2.652 1.00 24.48 H new ATOM 0 HB3 TYR A 20 10.705 -22.995 3.005 1.00 24.48 H new ATOM 0 HD1 TYR A 20 13.151 -20.896 4.577 1.00 24.15 H new ATOM 0 HD2 TYR A 20 9.769 -22.965 5.226 1.00 24.44 H new ATOM 0 HE1 TYR A 20 12.977 -19.946 6.707 1.00 24.62 H new ATOM 0 HE2 TYR A 20 9.582 -22.023 7.310 1.00 24.67 H new ATOM 0 HH TYR A 20 10.357 -20.778 8.811 1.00 29.13 H new ATOM 159 N AARG A 21 12.512 -25.422 5.247 0.50 23.69 N ATOM 160 N BARG A 21 12.484 -25.412 5.267 0.50 23.66 N ATOM 161 CA AARG A 21 12.133 -26.586 6.043 0.50 24.83 C ATOM 162 CA BARG A 21 12.102 -26.593 6.053 0.50 24.79 C ATOM 163 C AARG A 21 12.077 -27.882 5.238 0.50 23.03 C ATOM 164 C BARG A 21 12.075 -27.889 5.239 0.50 22.99 C ATOM 165 O AARG A 21 11.280 -28.778 5.531 0.50 23.46 O ATOM 166 O BARG A 21 11.288 -28.795 5.527 0.50 23.36 O ATOM 167 CB AARG A 21 10.821 -26.349 6.775 0.50 25.38 C ATOM 168 CB BARG A 21 10.765 -26.400 6.775 0.50 25.38 C ATOM 169 CG AARG A 21 10.853 -25.125 7.681 0.50 29.97 C ATOM 170 CG BARG A 21 10.792 -25.369 7.902 0.50 29.78 C ATOM 171 CD AARG A 21 11.748 -25.271 8.906 0.50 30.98 C ATOM 172 CD BARG A 21 11.068 -25.926 9.291 0.50 31.54 C ATOM 173 NE AARG A 21 11.589 -24.121 9.817 0.50 32.37 N ATOM 174 NE BARG A 21 11.295 -24.829 10.254 0.50 35.56 N ATOM 175 CZ AARG A 21 12.568 -23.320 10.229 0.50 32.95 C ATOM 176 CZ BARG A 21 11.293 -24.975 11.573 0.50 34.82 C ATOM 177 NH1AARG A 21 13.821 -23.514 9.856 0.50 33.79 N ATOM 178 NH1BARG A 21 11.061 -26.163 12.098 0.50 33.47 N ATOM 179 NH2AARG A 21 12.284 -22.319 11.042 0.50 34.99 N ATOM 180 NH2BARG A 21 11.491 -23.923 12.363 0.50 37.21 N ATOM 0 H AARG A 21 13.174 -24.984 5.579 0.50 23.66 H new ATOM 0 H BARG A 21 13.125 -24.961 5.621 0.50 23.66 H new ATOM 0 HA AARG A 21 12.840 -26.701 6.697 0.50 24.79 H new ATOM 0 HA BARG A 21 12.804 -26.686 6.716 0.50 24.79 H new ATOM 0 HB2AARG A 21 10.109 -26.245 6.125 0.50 25.38 H new ATOM 0 HB2BARG A 21 10.096 -26.134 6.125 0.50 25.38 H new ATOM 0 HB3AARG A 21 10.608 -27.132 7.306 0.50 25.38 H new ATOM 0 HB3BARG A 21 10.482 -27.253 7.140 0.50 25.38 H new ATOM 0 HG2AARG A 21 11.153 -24.361 7.164 0.50 29.78 H new ATOM 0 HG2BARG A 21 11.469 -24.705 7.696 0.50 29.78 H new ATOM 0 HG3AARG A 21 9.949 -24.931 7.976 0.50 29.78 H new ATOM 0 HG3BARG A 21 9.939 -24.908 7.919 0.50 29.78 H new ATOM 0 HD2AARG A 21 11.529 -26.092 9.375 0.50 31.54 H new ATOM 0 HD2BARG A 21 10.319 -26.469 9.582 0.50 31.54 H new ATOM 0 HD3AARG A 21 12.674 -25.342 8.627 0.50 31.54 H new ATOM 0 HD3BARG A 21 11.845 -26.506 9.264 0.50 31.54 H new ATOM 0 HE AARG A 21 10.796 -23.955 10.106 0.50 35.56 H new ATOM 0 HE BARG A 21 11.438 -24.042 9.938 0.50 35.56 H new ATOM 0 HH11AARG A 21 14.018 -24.170 9.336 0.50 33.47 H new ATOM 0 HH11BARG A 21 10.912 -26.838 11.586 0.50 33.47 H new ATOM 0 HH12AARG A 21 14.439 -22.985 10.134 0.50 33.47 H new ATOM 0 HH12BARG A 21 11.059 -26.263 12.952 0.50 33.47 H new ATOM 0 HH21AARG A 21 11.473 -22.191 11.299 0.50 37.21 H new ATOM 0 HH21BARG A 21 11.621 -23.145 12.019 0.50 37.21 H new ATOM 0 HH22AARG A 21 12.910 -21.795 11.314 0.50 37.21 H new ATOM 0 HH22BARG A 21 11.489 -24.021 13.217 0.50 37.21 H new ATOM 181 N GLY A 22 12.953 -27.983 4.250 1.00 22.09 N ATOM 182 CA GLY A 22 13.077 -29.187 3.438 1.00 22.47 C ATOM 183 C GLY A 22 12.132 -29.323 2.269 1.00 20.76 C ATOM 184 O GLY A 22 12.123 -30.342 1.622 1.00 22.93 O ATOM 0 H AGLY A 22 13.496 -27.353 4.029 0.50 22.09 H new ATOM 0 H BGLY A 22 13.494 -27.352 4.030 0.50 22.09 H new ATOM 0 HA2 GLY A 22 13.985 -29.230 3.099 1.00 22.47 H new ATOM 0 HA3 GLY A 22 12.954 -29.955 4.017 1.00 22.47 H new ATOM 185 N TYR A 23 11.355 -28.294 1.979 1.00 19.12 N ATOM 186 CA TYR A 23 10.387 -28.349 0.869 1.00 19.25 C ATOM 187 C TYR A 23 10.908 -27.657 -0.372 1.00 19.34 C ATOM 188 O TYR A 23 10.910 -26.448 -0.452 1.00 19.50 O ATOM 189 CB TYR A 23 9.045 -27.715 1.314 1.00 18.67 C ATOM 190 CG TYR A 23 8.352 -28.567 2.293 1.00 16.61 C ATOM 191 CD1 TYR A 23 7.544 -29.632 1.874 1.00 17.42 C ATOM 192 CD2 TYR A 23 8.530 -28.361 3.664 1.00 17.67 C ATOM 193 CE1 TYR A 23 6.917 -30.487 2.792 1.00 17.34 C ATOM 194 CE2 TYR A 23 7.915 -29.168 4.597 1.00 17.38 C ATOM 195 CZ TYR A 23 7.128 -30.270 4.168 1.00 17.38 C ATOM 196 OH TYR A 23 6.489 -31.023 5.137 1.00 17.17 O ATOM 0 H TYR A 23 11.364 -27.548 2.407 1.00 19.12 H new ATOM 0 HA TYR A 23 10.248 -29.282 0.642 1.00 19.25 H new ATOM 0 HB2 TYR A 23 9.210 -26.841 1.702 1.00 18.67 H new ATOM 0 HB3 TYR A 23 8.476 -27.579 0.540 1.00 18.67 H new ATOM 0 HD1 TYR A 23 7.420 -29.776 0.964 1.00 17.42 H new ATOM 0 HD2 TYR A 23 9.075 -27.665 3.953 1.00 17.67 H new ATOM 0 HE1 TYR A 23 6.374 -31.182 2.499 1.00 17.34 H new ATOM 0 HE2 TYR A 23 8.015 -28.992 5.505 1.00 17.38 H new ATOM 0 HH TYR A 23 6.338 -31.794 4.839 1.00 17.17 H new ATOM 197 N SER A 24 11.283 -28.443 -1.374 1.00 20.98 N ATOM 198 CA SER A 24 11.781 -27.922 -2.628 1.00 21.76 C ATOM 199 C SER A 24 10.763 -26.994 -3.244 1.00 22.90 C ATOM 200 O SER A 24 9.530 -27.064 -2.917 1.00 21.35 O ATOM 201 CB SER A 24 12.036 -29.048 -3.600 1.00 23.03 C ATOM 202 OG SER A 24 10.780 -29.614 -3.987 1.00 24.36 O ATOM 0 H SER A 24 11.253 -29.302 -1.340 1.00 20.98 H new ATOM 0 HA SER A 24 12.606 -27.445 -2.448 1.00 21.76 H new ATOM 0 HB2 SER A 24 12.511 -28.718 -4.379 1.00 23.03 H new ATOM 0 HB3 SER A 24 12.598 -29.725 -3.191 1.00 23.03 H new ATOM 0 HG SER A 24 10.692 -29.558 -4.820 1.00 24.36 H new ATOM 203 N LEU A 25 11.263 -26.122 -4.132 1.00 21.76 N ATOM 204 CA LEU A 25 10.484 -25.049 -4.685 1.00 20.05 C ATOM 205 C LEU A 25 9.258 -25.549 -5.397 1.00 20.78 C ATOM 206 O LEU A 25 8.234 -24.889 -5.335 1.00 19.46 O ATOM 207 CB LEU A 25 11.334 -24.220 -5.646 1.00 23.47 C ATOM 208 CG LEU A 25 10.815 -22.913 -6.208 1.00 25.18 C ATOM 209 CD1 LEU A 25 10.562 -21.922 -5.083 1.00 26.39 C ATOM 210 CD2 LEU A 25 11.875 -22.337 -7.159 1.00 28.93 C ATOM 0 H LEU A 25 12.072 -26.152 -4.422 1.00 21.76 H new ATOM 0 HA LEU A 25 10.192 -24.495 -3.944 1.00 20.05 H new ATOM 0 HB2 LEU A 25 12.169 -24.024 -5.192 1.00 23.47 H new ATOM 0 HB3 LEU A 25 11.549 -24.790 -6.401 1.00 23.47 H new ATOM 0 HG LEU A 25 9.983 -23.070 -6.681 1.00 25.18 H new ATOM 0 HD11 LEU A 25 10.230 -21.089 -5.454 1.00 26.39 H new ATOM 0 HD12 LEU A 25 9.904 -22.288 -4.471 1.00 26.39 H new ATOM 0 HD13 LEU A 25 11.390 -21.756 -4.606 1.00 26.39 H new ATOM 0 HD21 LEU A 25 11.557 -21.498 -7.528 1.00 28.93 H new ATOM 0 HD22 LEU A 25 12.699 -22.183 -6.671 1.00 28.93 H new ATOM 0 HD23 LEU A 25 12.039 -22.965 -7.880 1.00 28.93 H new ATOM 211 N GLY A 26 9.343 -26.679 -6.105 1.00 18.34 N ATOM 212 CA GLY A 26 8.169 -27.258 -6.754 1.00 18.80 C ATOM 213 C GLY A 26 6.966 -27.536 -5.869 1.00 19.06 C ATOM 214 O GLY A 26 5.832 -27.406 -6.322 1.00 19.04 O ATOM 0 H GLY A 26 10.071 -27.123 -6.220 1.00 18.34 H new ATOM 0 HA2 GLY A 26 7.890 -26.659 -7.464 1.00 18.80 H new ATOM 0 HA3 GLY A 26 8.435 -28.091 -7.173 1.00 18.80 H new ATOM 215 N ASN A 27 7.211 -27.893 -4.612 1.00 18.93 N ATOM 216 CA ASN A 27 6.143 -28.057 -3.612 1.00 19.77 C ATOM 217 C ASN A 27 5.308 -26.795 -3.421 1.00 19.13 C ATOM 218 O ASN A 27 4.063 -26.829 -3.451 1.00 18.53 O ATOM 219 CB ASN A 27 6.720 -28.531 -2.263 1.00 21.62 C ATOM 220 CG ASN A 27 7.125 -30.002 -2.312 1.00 20.84 C ATOM 221 OD1 ASN A 27 6.266 -30.865 -2.266 1.00 19.64 O ATOM 222 ND2 ASN A 27 8.450 -30.277 -2.499 1.00 20.68 N ATOM 0 H ASN A 27 8.000 -28.049 -4.309 1.00 18.93 H new ATOM 0 HA ASN A 27 5.547 -28.739 -3.959 1.00 19.77 H new ATOM 0 HB2 ASN A 27 7.491 -27.990 -2.032 1.00 21.62 H new ATOM 0 HB3 ASN A 27 6.061 -28.399 -1.564 1.00 21.62 H new ATOM 0 HD21 ASN A 27 8.711 -31.091 -2.591 1.00 20.68 H new ATOM 0 HD22 ASN A 27 9.023 -29.636 -2.525 1.00 20.68 H new ATOM 223 N TRP A 28 6.013 -25.682 -3.239 1.00 18.32 N ATOM 224 CA TRP A 28 5.388 -24.383 -3.052 1.00 18.59 C ATOM 225 C TRP A 28 4.618 -23.971 -4.299 1.00 17.92 C ATOM 226 O TRP A 28 3.478 -23.516 -4.203 1.00 18.14 O ATOM 227 CB TRP A 28 6.440 -23.327 -2.709 1.00 18.50 C ATOM 228 CG TRP A 28 7.160 -23.594 -1.423 1.00 17.78 C ATOM 229 CD1 TRP A 28 8.461 -23.978 -1.276 1.00 18.98 C ATOM 230 CD2 TRP A 28 6.620 -23.496 -0.099 1.00 18.97 C ATOM 231 NE1 TRP A 28 8.765 -24.125 0.056 1.00 18.17 N ATOM 232 CE2 TRP A 28 7.651 -23.836 0.799 1.00 17.50 C ATOM 233 CE3 TRP A 28 5.364 -23.155 0.413 1.00 18.67 C ATOM 234 CZ2 TRP A 28 7.465 -23.844 2.180 1.00 18.05 C ATOM 235 CZ3 TRP A 28 5.182 -23.164 1.784 1.00 17.63 C ATOM 236 CH2 TRP A 28 6.227 -23.506 2.652 1.00 19.39 C ATOM 0 H TRP A 28 6.873 -25.662 -3.221 1.00 18.32 H new ATOM 0 HA TRP A 28 4.763 -24.452 -2.313 1.00 18.59 H new ATOM 0 HB2 TRP A 28 7.087 -23.280 -3.430 1.00 18.50 H new ATOM 0 HB3 TRP A 28 6.011 -22.459 -2.656 1.00 18.50 H new ATOM 0 HD1 TRP A 28 9.056 -24.120 -1.976 1.00 18.98 H new ATOM 0 HE1 TRP A 28 9.530 -24.360 0.372 1.00 18.17 H new ATOM 0 HE3 TRP A 28 4.665 -22.927 -0.157 1.00 18.67 H new ATOM 0 HZ2 TRP A 28 8.157 -24.071 2.759 1.00 18.05 H new ATOM 0 HZ3 TRP A 28 4.351 -22.939 2.136 1.00 17.63 H new ATOM 0 HH2 TRP A 28 6.075 -23.503 3.570 1.00 19.39 H new ATOM 237 N VAL A 29 5.231 -24.127 -5.470 1.00 18.35 N ATOM 238 CA VAL A 29 4.529 -23.746 -6.716 1.00 16.34 C ATOM 239 C VAL A 29 3.244 -24.611 -6.916 1.00 17.36 C ATOM 240 O VAL A 29 2.181 -24.123 -7.283 1.00 18.20 O ATOM 241 CB VAL A 29 5.467 -23.791 -7.941 1.00 17.82 C ATOM 242 CG1 VAL A 29 4.732 -23.443 -9.222 1.00 16.62 C ATOM 243 CG2 VAL A 29 6.703 -22.875 -7.751 1.00 17.19 C ATOM 0 H VAL A 29 6.025 -24.440 -5.574 1.00 18.35 H new ATOM 0 HA VAL A 29 4.244 -22.823 -6.628 1.00 16.34 H new ATOM 0 HB VAL A 29 5.784 -24.704 -8.018 1.00 17.82 H new ATOM 0 HG11 VAL A 29 5.349 -23.481 -9.970 1.00 16.62 H new ATOM 0 HG12 VAL A 29 4.012 -24.077 -9.365 1.00 16.62 H new ATOM 0 HG13 VAL A 29 4.364 -22.548 -9.151 1.00 16.62 H new ATOM 0 HG21 VAL A 29 7.269 -22.928 -8.537 1.00 17.19 H new ATOM 0 HG22 VAL A 29 6.411 -21.959 -7.624 1.00 17.19 H new ATOM 0 HG23 VAL A 29 7.204 -23.165 -6.973 1.00 17.19 H new ATOM 244 N CYS A 30 3.342 -25.914 -6.719 1.00 17.27 N ATOM 245 CA CYS A 30 2.197 -26.812 -6.850 1.00 17.21 C ATOM 246 C CYS A 30 1.103 -26.406 -5.852 1.00 17.64 C ATOM 247 O CYS A 30 -0.087 -26.440 -6.159 1.00 17.26 O ATOM 248 CB CYS A 30 2.673 -28.230 -6.500 1.00 20.45 C ATOM 249 SG CYS A 30 1.490 -29.514 -6.732 1.00 19.31 S ATOM 0 H CYS A 30 4.075 -26.309 -6.505 1.00 17.27 H new ATOM 0 HA CYS A 30 1.842 -26.771 -7.752 1.00 17.21 H new ATOM 0 HB2 CYS A 30 3.455 -28.432 -7.037 1.00 20.45 H new ATOM 0 HB3 CYS A 30 2.957 -28.238 -5.572 1.00 20.45 H new ATOM 250 N ALA A 31 1.512 -26.096 -4.632 1.00 17.74 N ATOM 251 CA ALA A 31 0.534 -25.727 -3.576 1.00 19.29 C ATOM 252 C ALA A 31 -0.194 -24.487 -4.015 1.00 17.72 C ATOM 253 O ALA A 31 -1.411 -24.463 -4.010 1.00 18.03 O ATOM 254 CB ALA A 31 1.210 -25.505 -2.224 1.00 18.44 C ATOM 0 H ALA A 31 2.335 -26.088 -4.382 1.00 17.74 H new ATOM 0 HA ALA A 31 -0.091 -26.459 -3.457 1.00 19.29 H new ATOM 0 HB1 ALA A 31 0.541 -25.267 -1.563 1.00 18.44 H new ATOM 0 HB2 ALA A 31 1.660 -26.319 -1.949 1.00 18.44 H new ATOM 0 HB3 ALA A 31 1.859 -24.788 -2.300 1.00 18.44 H new ATOM 255 N ALA A 32 0.539 -23.512 -4.519 1.00 16.13 N ATOM 256 CA ALA A 32 -0.079 -22.254 -4.963 1.00 18.24 C ATOM 257 C ALA A 32 -1.002 -22.452 -6.162 1.00 19.80 C ATOM 258 O ALA A 32 -2.074 -21.824 -6.245 1.00 19.76 O ATOM 259 CB ALA A 32 0.961 -21.202 -5.233 1.00 16.85 C ATOM 0 H ALA A 32 1.393 -23.548 -4.617 1.00 16.13 H new ATOM 0 HA ALA A 32 -0.636 -21.940 -4.234 1.00 18.24 H new ATOM 0 HB1 ALA A 32 0.527 -20.385 -5.524 1.00 16.85 H new ATOM 0 HB2 ALA A 32 1.465 -21.029 -4.422 1.00 16.85 H new ATOM 0 HB3 ALA A 32 1.563 -21.512 -5.927 1.00 16.85 H new ATOM 260 N LYS A 33 -0.593 -23.341 -7.083 1.00 17.68 N ATOM 261 CA LYS A 33 -1.428 -23.680 -8.239 1.00 19.07 C ATOM 262 C LYS A 33 -2.797 -24.130 -7.798 1.00 21.27 C ATOM 263 O LYS A 33 -3.797 -23.589 -8.249 1.00 20.14 O ATOM 264 CB LYS A 33 -0.804 -24.816 -9.010 1.00 20.88 C ATOM 265 CG LYS A 33 -1.666 -25.455 -10.052 1.00 24.47 C ATOM 266 CD LYS A 33 -1.929 -24.517 -11.188 1.00 25.57 C ATOM 267 CE LYS A 33 -2.937 -25.102 -12.136 1.00 30.14 C ATOM 268 NZ LYS A 33 -3.116 -24.002 -13.156 1.00 31.86 N ATOM 0 H LYS A 33 0.161 -23.754 -7.053 1.00 17.68 H new ATOM 0 HA LYS A 33 -1.501 -22.886 -8.791 1.00 19.07 H new ATOM 0 HB2 LYS A 33 0.001 -24.488 -9.439 1.00 20.88 H new ATOM 0 HB3 LYS A 33 -0.530 -25.500 -8.379 1.00 20.88 H new ATOM 0 HG2 LYS A 33 -1.234 -26.257 -10.385 1.00 24.47 H new ATOM 0 HG3 LYS A 33 -2.507 -25.730 -9.655 1.00 24.47 H new ATOM 0 HD2 LYS A 33 -2.254 -23.670 -10.845 1.00 25.57 H new ATOM 0 HD3 LYS A 33 -1.102 -24.334 -11.660 1.00 25.57 H new ATOM 0 HE2 LYS A 33 -2.615 -25.921 -12.543 1.00 30.14 H new ATOM 0 HE3 LYS A 33 -3.770 -25.316 -11.688 1.00 30.14 H new ATOM 0 HZ1 LYS A 33 -3.602 -24.305 -13.837 1.00 31.86 H new ATOM 0 HZ2 LYS A 33 -3.533 -23.312 -12.779 1.00 31.86 H new ATOM 0 HZ3 LYS A 33 -2.319 -23.740 -13.454 1.00 31.86 H new ATOM 269 N PHE A 34 -2.832 -25.155 -6.924 1.00 19.72 N ATOM 270 CA PHE A 34 -4.156 -25.710 -6.495 1.00 21.12 C ATOM 271 C PHE A 34 -4.917 -24.926 -5.410 1.00 20.33 C ATOM 272 O PHE A 34 -6.125 -24.999 -5.332 1.00 21.39 O ATOM 273 CB PHE A 34 -3.985 -27.211 -6.206 1.00 20.48 C ATOM 274 CG PHE A 34 -3.502 -27.967 -7.426 1.00 21.36 C ATOM 275 CD1 PHE A 34 -4.277 -27.982 -8.570 1.00 21.50 C ATOM 276 CD2 PHE A 34 -2.236 -28.609 -7.466 1.00 23.56 C ATOM 277 CE1 PHE A 34 -3.861 -28.656 -9.735 1.00 21.24 C ATOM 278 CE2 PHE A 34 -1.821 -29.307 -8.646 1.00 23.53 C ATOM 279 CZ PHE A 34 -2.630 -29.303 -9.770 1.00 23.15 C ATOM 0 H PHE A 34 -2.142 -25.534 -6.577 1.00 19.72 H new ATOM 0 HA PHE A 34 -4.769 -25.592 -7.237 1.00 21.12 H new ATOM 0 HB2 PHE A 34 -3.353 -27.331 -5.480 1.00 20.48 H new ATOM 0 HB3 PHE A 34 -4.831 -27.582 -5.910 1.00 20.48 H new ATOM 0 HD1 PHE A 34 -5.093 -27.536 -8.571 1.00 21.50 H new ATOM 0 HD2 PHE A 34 -1.675 -28.576 -6.725 1.00 23.56 H new ATOM 0 HE1 PHE A 34 -4.412 -28.668 -10.484 1.00 21.24 H new ATOM 0 HE2 PHE A 34 -1.010 -29.762 -8.657 1.00 23.53 H new ATOM 0 HZ PHE A 34 -2.351 -29.732 -10.547 1.00 23.15 H new ATOM 280 N GLU A 35 -4.204 -24.163 -4.612 1.00 20.18 N ATOM 281 CA GLU A 35 -4.822 -23.222 -3.681 1.00 18.54 C ATOM 282 C GLU A 35 -5.529 -22.018 -4.379 1.00 20.11 C ATOM 283 O GLU A 35 -6.649 -21.691 -4.059 1.00 17.27 O ATOM 284 CB GLU A 35 -3.775 -22.735 -2.681 1.00 17.98 C ATOM 285 CG GLU A 35 -3.299 -23.780 -1.655 1.00 17.71 C ATOM 286 CD GLU A 35 -4.355 -24.352 -0.710 1.00 19.56 C ATOM 287 OE1 GLU A 35 -5.491 -23.893 -0.717 1.00 18.11 O ATOM 288 OE2 GLU A 35 -4.070 -25.340 0.011 1.00 22.04 O ATOM 0 H GLU A 35 -3.344 -24.169 -4.588 1.00 20.18 H new ATOM 0 HA GLU A 35 -5.527 -23.702 -3.219 1.00 18.54 H new ATOM 0 HB2 GLU A 35 -3.004 -22.415 -3.175 1.00 17.98 H new ATOM 0 HB3 GLU A 35 -4.139 -21.975 -2.200 1.00 17.98 H new ATOM 0 HG2 GLU A 35 -2.897 -24.517 -2.140 1.00 17.71 H new ATOM 0 HG3 GLU A 35 -2.599 -23.378 -1.117 1.00 17.71 H new ATOM 289 N SER A 36 -4.834 -21.359 -5.302 1.00 18.30 N ATOM 290 CA SER A 36 -5.254 -20.073 -5.797 1.00 18.51 C ATOM 291 C SER A 36 -5.183 -19.901 -7.316 1.00 21.50 C ATOM 292 O SER A 36 -5.546 -18.838 -7.823 1.00 20.62 O ATOM 293 CB SER A 36 -4.307 -19.033 -5.241 1.00 18.30 C ATOM 294 OG SER A 36 -2.949 -19.227 -5.706 1.00 17.52 O ATOM 0 H SER A 36 -4.106 -21.653 -5.654 1.00 18.30 H new ATOM 0 HA SER A 36 -6.181 -19.984 -5.526 1.00 18.51 H new ATOM 0 HB2 SER A 36 -4.612 -18.149 -5.498 1.00 18.30 H new ATOM 0 HB3 SER A 36 -4.324 -19.068 -4.272 1.00 18.30 H new ATOM 0 HG SER A 36 -2.449 -19.391 -5.051 1.00 17.52 H new ATOM 295 N ASN A 37 -4.656 -20.906 -8.024 1.00 21.25 N ATOM 296 CA ASN A 37 -4.338 -20.746 -9.413 1.00 21.81 C ATOM 297 C ASN A 37 -3.411 -19.566 -9.702 1.00 20.26 C ATOM 298 O ASN A 37 -3.493 -18.944 -10.796 1.00 22.24 O ATOM 299 CB ASN A 37 -5.633 -20.673 -10.244 1.00 22.59 C ATOM 300 CG ASN A 37 -5.423 -21.196 -11.665 1.00 28.42 C ATOM 301 OD1 ASN A 37 -4.438 -21.880 -11.966 1.00 26.81 O ATOM 302 ND2 ASN A 37 -6.304 -20.818 -12.546 1.00 30.05 N ATOM 0 H ASN A 37 -4.481 -21.684 -7.703 1.00 21.25 H new ATOM 0 HA ASN A 37 -3.833 -21.530 -9.679 1.00 21.81 H new ATOM 0 HB2 ASN A 37 -6.327 -21.191 -9.808 1.00 22.59 H new ATOM 0 HB3 ASN A 37 -5.944 -19.755 -10.279 1.00 22.59 H new ATOM 0 HD21 ASN A 37 -6.212 -21.044 -13.371 1.00 30.05 H new ATOM 0 HD22 ASN A 37 -6.978 -20.342 -12.303 1.00 30.05 H new ATOM 303 N PHE A 38 -2.471 -19.349 -8.777 1.00 17.77 N ATOM 304 CA PHE A 38 -1.459 -18.314 -8.833 1.00 19.84 C ATOM 305 C PHE A 38 -2.016 -16.870 -8.740 1.00 17.36 C ATOM 306 O PHE A 38 -1.375 -15.917 -9.192 1.00 18.48 O ATOM 307 CB PHE A 38 -0.609 -18.447 -10.120 1.00 18.91 C ATOM 308 CG PHE A 38 0.029 -19.814 -10.350 1.00 21.11 C ATOM 309 CD1 PHE A 38 0.591 -20.548 -9.306 1.00 23.75 C ATOM 310 CD2 PHE A 38 0.198 -20.290 -11.662 1.00 23.39 C ATOM 311 CE1 PHE A 38 1.228 -21.784 -9.546 1.00 24.55 C ATOM 312 CE2 PHE A 38 0.847 -21.512 -11.923 1.00 25.07 C ATOM 313 CZ PHE A 38 1.372 -22.244 -10.855 1.00 24.00 C ATOM 0 H PHE A 38 -2.411 -19.831 -8.067 1.00 17.77 H new ATOM 0 HA PHE A 38 -0.912 -18.455 -8.045 1.00 19.84 H new ATOM 0 HB2 PHE A 38 -1.171 -18.238 -10.883 1.00 18.91 H new ATOM 0 HB3 PHE A 38 0.095 -17.780 -10.094 1.00 18.91 H new ATOM 0 HD1 PHE A 38 0.545 -20.218 -8.438 1.00 23.75 H new ATOM 0 HD2 PHE A 38 -0.126 -19.786 -12.374 1.00 23.39 H new ATOM 0 HE1 PHE A 38 1.550 -22.289 -8.835 1.00 24.55 H new ATOM 0 HE2 PHE A 38 0.925 -21.828 -12.794 1.00 25.07 H new ATOM 0 HZ PHE A 38 1.820 -23.043 -11.018 1.00 24.00 H new ATOM 314 N ASN A 39 -3.222 -16.706 -8.206 1.00 17.00 N ATOM 315 CA ASN A 39 -3.910 -15.428 -8.140 1.00 17.53 C ATOM 316 C ASN A 39 -3.827 -14.889 -6.713 1.00 18.14 C ATOM 317 O ASN A 39 -4.433 -15.475 -5.802 1.00 18.18 O ATOM 318 CB ASN A 39 -5.363 -15.619 -8.522 1.00 17.52 C ATOM 319 CG ASN A 39 -6.129 -14.309 -8.555 1.00 19.21 C ATOM 320 OD1 ASN A 39 -5.579 -13.234 -8.324 1.00 17.50 O ATOM 321 ND2 ASN A 39 -7.387 -14.406 -8.852 1.00 19.80 N ATOM 0 H ASN A 39 -3.672 -17.354 -7.864 1.00 17.00 H new ATOM 0 HA ASN A 39 -3.495 -14.800 -8.752 1.00 17.53 H new ATOM 0 HB2 ASN A 39 -5.413 -16.042 -9.393 1.00 17.52 H new ATOM 0 HB3 ASN A 39 -5.785 -16.222 -7.890 1.00 17.52 H new ATOM 0 HD21 ASN A 39 -7.875 -13.699 -8.894 1.00 19.80 H new ATOM 0 HD22 ASN A 39 -7.734 -15.177 -9.007 1.00 19.80 H new ATOM 322 N THR A 40 -3.079 -13.816 -6.520 1.00 17.78 N ATOM 323 CA THR A 40 -2.917 -13.198 -5.197 1.00 18.20 C ATOM 324 C THR A 40 -4.225 -12.763 -4.545 1.00 17.17 C ATOM 325 O THR A 40 -4.304 -12.685 -3.306 1.00 16.97 O ATOM 326 CB THR A 40 -1.990 -11.956 -5.199 1.00 19.65 C ATOM 327 OG1 THR A 40 -2.596 -10.921 -6.002 1.00 21.77 O ATOM 328 CG2 THR A 40 -0.533 -12.334 -5.676 1.00 19.41 C ATOM 0 H THR A 40 -2.647 -13.418 -7.148 1.00 17.78 H new ATOM 0 HA THR A 40 -2.517 -13.918 -4.684 1.00 18.20 H new ATOM 0 HB THR A 40 -1.890 -11.615 -4.296 1.00 19.65 H new ATOM 0 HG1 THR A 40 -2.903 -10.321 -5.501 1.00 21.77 H new ATOM 0 HG21 THR A 40 0.026 -11.541 -5.668 1.00 19.41 H new ATOM 0 HG22 THR A 40 -0.159 -12.999 -5.077 1.00 19.41 H new ATOM 0 HG23 THR A 40 -0.570 -12.694 -6.576 1.00 19.41 H new ATOM 329 N GLN A 41 -5.252 -12.489 -5.345 1.00 18.95 N ATOM 330 CA GLN A 41 -6.524 -11.975 -4.823 1.00 18.10 C ATOM 331 C GLN A 41 -7.542 -13.065 -4.487 1.00 19.43 C ATOM 332 O GLN A 41 -8.648 -12.747 -4.121 1.00 18.97 O ATOM 333 CB GLN A 41 -7.132 -11.021 -5.857 1.00 17.96 C ATOM 334 CG GLN A 41 -6.297 -9.776 -6.111 1.00 19.84 C ATOM 335 CD GLN A 41 -7.065 -8.681 -6.818 1.00 20.91 C ATOM 336 OE1 GLN A 41 -7.855 -7.964 -6.182 1.00 21.08 O ATOM 337 NE2 GLN A 41 -6.850 -8.527 -8.140 1.00 22.22 N ATOM 0 H GLN A 41 -5.236 -12.593 -6.198 1.00 18.95 H new ATOM 0 HA GLN A 41 -6.322 -11.522 -3.989 1.00 18.10 H new ATOM 0 HB2 GLN A 41 -7.250 -11.497 -6.694 1.00 17.96 H new ATOM 0 HB3 GLN A 41 -8.014 -10.752 -5.557 1.00 17.96 H new ATOM 0 HG2 GLN A 41 -5.966 -9.437 -5.265 1.00 19.84 H new ATOM 0 HG3 GLN A 41 -5.522 -10.016 -6.643 1.00 19.84 H new ATOM 0 HE21 GLN A 41 -6.295 -9.042 -8.548 1.00 22.22 H new ATOM 0 HE22 GLN A 41 -7.267 -7.914 -8.575 1.00 22.22 H new ATOM 338 N ALA A 42 -7.183 -14.339 -4.679 1.00 17.92 N ATOM 339 CA ALA A 42 -8.068 -15.424 -4.324 1.00 18.59 C ATOM 340 C ALA A 42 -8.506 -15.350 -2.828 1.00 17.92 C ATOM 341 O ALA A 42 -7.695 -15.115 -1.914 1.00 15.15 O ATOM 342 CB ALA A 42 -7.398 -16.745 -4.594 1.00 17.79 C ATOM 0 H ALA A 42 -6.430 -14.585 -5.014 1.00 17.92 H new ATOM 0 HA ALA A 42 -8.865 -15.343 -4.871 1.00 18.59 H new ATOM 0 HB1 ALA A 42 -7.998 -17.468 -4.353 1.00 17.79 H new ATOM 0 HB2 ALA A 42 -7.177 -16.809 -5.536 1.00 17.79 H new ATOM 0 HB3 ALA A 42 -6.586 -16.810 -4.067 1.00 17.79 H new ATOM 343 N THR A 43 -9.805 -15.505 -2.634 1.00 18.12 N ATOM 344 CA THR A 43 -10.454 -15.667 -1.312 1.00 20.10 C ATOM 345 C THR A 43 -11.482 -16.804 -1.379 1.00 22.71 C ATOM 346 O THR A 43 -12.087 -17.092 -2.426 1.00 26.02 O ATOM 347 CB THR A 43 -11.203 -14.458 -0.809 1.00 21.92 C ATOM 348 OG1 THR A 43 -12.243 -14.131 -1.735 1.00 23.46 O ATOM 349 CG2 THR A 43 -10.286 -13.266 -0.642 1.00 21.70 C ATOM 0 H THR A 43 -10.367 -15.521 -3.285 1.00 18.12 H new ATOM 0 HA THR A 43 -9.718 -15.838 -0.704 1.00 20.10 H new ATOM 0 HB THR A 43 -11.578 -14.672 0.060 1.00 21.92 H new ATOM 0 HG1 THR A 43 -12.664 -13.459 -1.458 1.00 23.46 H new ATOM 0 HG21 THR A 43 -10.797 -12.507 -0.318 1.00 21.70 H new ATOM 0 HG22 THR A 43 -9.588 -13.481 -0.004 1.00 21.70 H new ATOM 0 HG23 THR A 43 -9.885 -13.044 -1.497 1.00 21.70 H new ATOM 350 N ASN A 44 -11.604 -17.526 -0.281 1.00 22.77 N ATOM 351 CA ASN A 44 -12.603 -18.566 -0.128 1.00 23.78 C ATOM 352 C ASN A 44 -13.024 -18.696 1.323 1.00 22.85 C ATOM 353 O ASN A 44 -12.192 -18.768 2.246 1.00 19.60 O ATOM 354 CB ASN A 44 -12.068 -19.889 -0.620 1.00 27.18 C ATOM 355 CG ASN A 44 -11.909 -19.910 -2.156 1.00 34.59 C ATOM 356 OD1 ASN A 44 -12.896 -20.007 -2.895 1.00 33.18 O ATOM 357 ND2 ASN A 44 -10.664 -19.787 -2.627 1.00 34.81 N ATOM 0 H ASN A 44 -11.100 -17.425 0.409 1.00 22.77 H new ATOM 0 HA ASN A 44 -13.376 -18.319 -0.659 1.00 23.78 H new ATOM 0 HB2 ASN A 44 -11.210 -20.065 -0.204 1.00 27.18 H new ATOM 0 HB3 ASN A 44 -12.667 -20.601 -0.347 1.00 27.18 H new ATOM 0 HD21 ASN A 44 -10.525 -19.773 -3.476 1.00 34.81 H new ATOM 0 HD22 ASN A 44 -10.002 -19.722 -2.081 1.00 34.81 H new ATOM 358 N ARG A 45 -14.321 -18.780 1.503 1.00 26.56 N ATOM 359 CA ARG A 45 -14.903 -18.792 2.829 1.00 31.23 C ATOM 360 C ARG A 45 -14.925 -20.240 3.266 1.00 31.73 C ATOM 361 O ARG A 45 -15.288 -21.111 2.479 1.00 25.32 O ATOM 362 CB ARG A 45 -16.329 -18.184 2.853 1.00 34.67 C ATOM 363 CG ARG A 45 -16.434 -16.885 3.660 1.00 45.47 C ATOM 364 CD ARG A 45 -16.941 -17.125 5.050 1.00 43.88 C ATOM 365 NE ARG A 45 -16.834 -15.924 5.906 1.00 56.24 N ATOM 366 CZ ARG A 45 -17.695 -15.532 6.867 1.00 47.51 C ATOM 367 NH1 ARG A 45 -18.803 -16.208 7.140 1.00 62.32 N ATOM 368 NH2 ARG A 45 -17.453 -14.444 7.572 1.00 46.70 N ATOM 0 H ARG A 45 -14.893 -18.832 0.863 1.00 26.56 H new ATOM 0 HA ARG A 45 -14.378 -18.243 3.432 1.00 31.23 H new ATOM 0 HB2 ARG A 45 -16.614 -18.013 1.942 1.00 34.67 H new ATOM 0 HB3 ARG A 45 -16.943 -18.836 3.224 1.00 34.67 H new ATOM 0 HG2 ARG A 45 -15.563 -16.461 3.703 1.00 45.47 H new ATOM 0 HG3 ARG A 45 -17.027 -16.268 3.203 1.00 45.47 H new ATOM 0 HD2 ARG A 45 -17.868 -17.408 5.009 1.00 43.88 H new ATOM 0 HD3 ARG A 45 -16.440 -17.852 5.453 1.00 43.88 H new ATOM 0 HE ARG A 45 -16.148 -15.421 5.777 1.00 56.24 H new ATOM 0 HH11 ARG A 45 -18.991 -16.921 6.698 1.00 62.32 H new ATOM 0 HH12 ARG A 45 -19.333 -15.933 7.759 1.00 62.32 H new ATOM 0 HH21 ARG A 45 -16.744 -13.982 7.420 1.00 46.70 H new ATOM 0 HH22 ARG A 45 -18.004 -14.197 8.184 1.00 46.70 H new ATOM 369 N ASN A 46 -14.573 -20.497 4.528 1.00 28.03 N ATOM 370 CA ASN A 46 -14.674 -21.862 5.036 1.00 30.55 C ATOM 371 C ASN A 46 -15.999 -22.120 5.755 1.00 28.48 C ATOM 372 O ASN A 46 -16.642 -21.202 6.286 1.00 32.97 O ATOM 373 CB ASN A 46 -13.509 -22.147 5.977 1.00 28.03 C ATOM 374 CG ASN A 46 -12.157 -21.986 5.288 1.00 28.16 C ATOM 375 OD1 ASN A 46 -11.930 -22.577 4.230 1.00 28.41 O ATOM 376 ND2 ASN A 46 -11.257 -21.202 5.886 1.00 27.81 N ATOM 0 H ASN A 46 -14.282 -19.914 5.089 1.00 28.03 H new ATOM 0 HA ASN A 46 -14.640 -22.460 4.273 1.00 30.55 H new ATOM 0 HB2 ASN A 46 -13.556 -21.547 6.738 1.00 28.03 H new ATOM 0 HB3 ASN A 46 -13.588 -23.050 6.323 1.00 28.03 H new ATOM 0 HD21 ASN A 46 -10.480 -21.092 5.533 1.00 27.81 H new ATOM 0 HD22 ASN A 46 -11.454 -20.807 6.624 1.00 27.81 H new ATOM 377 N THR A 47 -16.308 -23.395 5.937 1.00 33.28 N ATOM 378 CA THR A 47 -17.539 -23.781 6.682 1.00 36.94 C ATOM 379 C THR A 47 -17.637 -23.149 8.114 1.00 35.62 C ATOM 380 O THR A 47 -18.690 -22.672 8.513 1.00 34.21 O ATOM 381 CB THR A 47 -17.712 -25.313 6.717 1.00 40.80 C ATOM 382 OG1 THR A 47 -16.542 -25.918 7.252 1.00 47.36 O ATOM 383 CG2 THR A 47 -17.891 -25.872 5.291 1.00 41.12 C ATOM 0 H THR A 47 -15.838 -24.055 5.649 1.00 33.28 H new ATOM 0 HA THR A 47 -18.282 -23.403 6.185 1.00 36.94 H new ATOM 0 HB THR A 47 -18.491 -25.508 7.260 1.00 40.80 H new ATOM 0 HG1 THR A 47 -16.641 -26.752 7.271 1.00 47.36 H new ATOM 0 HG21 THR A 47 -17.998 -26.835 5.332 1.00 41.12 H new ATOM 0 HG22 THR A 47 -18.678 -25.476 4.885 1.00 41.12 H new ATOM 0 HG23 THR A 47 -17.110 -25.656 4.758 1.00 41.12 H new ATOM 384 N ASP A 48 -16.520 -23.078 8.838 1.00 33.29 N ATOM 385 CA ASP A 48 -16.484 -22.497 10.192 1.00 31.58 C ATOM 386 C ASP A 48 -16.582 -20.953 10.193 1.00 33.34 C ATOM 387 O ASP A 48 -16.468 -20.331 11.267 1.00 34.73 O ATOM 388 CB ASP A 48 -15.225 -22.978 10.973 1.00 28.92 C ATOM 389 CG ASP A 48 -13.895 -22.438 10.375 1.00 35.56 C ATOM 390 OD1 ASP A 48 -13.905 -21.659 9.404 1.00 35.95 O ATOM 391 OD2 ASP A 48 -12.821 -22.741 10.885 1.00 36.89 O ATOM 0 H ASP A 48 -15.758 -23.365 8.562 1.00 33.29 H new ATOM 0 HA ASP A 48 -17.275 -22.821 10.650 1.00 31.58 H new ATOM 0 HB2 ASP A 48 -15.297 -22.694 11.898 1.00 28.92 H new ATOM 0 HB3 ASP A 48 -15.203 -23.948 10.975 1.00 28.92 H new ATOM 392 N GLY A 49 -16.739 -20.317 9.014 1.00 31.06 N ATOM 393 CA GLY A 49 -16.833 -18.857 8.915 1.00 28.18 C ATOM 394 C GLY A 49 -15.473 -18.154 8.820 1.00 26.72 C ATOM 395 O GLY A 49 -15.418 -16.927 8.708 1.00 30.71 O ATOM 0 H GLY A 49 -16.793 -20.724 8.258 1.00 31.06 H new ATOM 0 HA2 GLY A 49 -17.361 -18.628 8.135 1.00 28.18 H new ATOM 0 HA3 GLY A 49 -17.309 -18.519 9.689 1.00 28.18 H new ATOM 396 N SER A 50 -14.373 -18.897 8.904 1.00 22.31 N ATOM 397 CA SER A 50 -13.078 -18.321 8.644 1.00 20.21 C ATOM 398 C SER A 50 -12.953 -18.171 7.062 1.00 20.60 C ATOM 399 O SER A 50 -13.814 -18.668 6.292 1.00 20.10 O ATOM 400 CB SER A 50 -11.974 -19.145 9.232 1.00 17.27 C ATOM 401 OG SER A 50 -11.849 -20.408 8.591 1.00 19.52 O ATOM 0 H SER A 50 -14.364 -19.732 9.110 1.00 22.31 H new ATOM 0 HA SER A 50 -12.994 -17.453 9.069 1.00 20.21 H new ATOM 0 HB2 SER A 50 -11.136 -18.662 9.157 1.00 17.27 H new ATOM 0 HB3 SER A 50 -12.141 -19.279 10.178 1.00 17.27 H new ATOM 0 HG SER A 50 -12.387 -20.952 8.937 1.00 19.52 H new ATOM 402 N THR A 51 -11.936 -17.433 6.629 1.00 17.92 N ATOM 403 CA THR A 51 -11.716 -17.234 5.204 1.00 18.21 C ATOM 404 C THR A 51 -10.227 -17.474 4.926 1.00 17.64 C ATOM 405 O THR A 51 -9.350 -17.147 5.758 1.00 17.66 O ATOM 406 CB THR A 51 -12.128 -15.837 4.792 1.00 17.61 C ATOM 407 OG1 THR A 51 -13.517 -15.603 5.094 1.00 16.88 O ATOM 408 CG2 THR A 51 -11.882 -15.536 3.277 1.00 17.48 C ATOM 0 H THR A 51 -11.366 -17.042 7.141 1.00 17.92 H new ATOM 0 HA THR A 51 -12.255 -17.853 4.687 1.00 18.21 H new ATOM 0 HB THR A 51 -11.564 -15.238 5.305 1.00 17.61 H new ATOM 0 HG1 THR A 51 -13.593 -15.364 5.896 1.00 16.88 H new ATOM 0 HG21 THR A 51 -12.165 -14.630 3.077 1.00 17.48 H new ATOM 0 HG22 THR A 51 -10.938 -15.631 3.077 1.00 17.48 H new ATOM 0 HG23 THR A 51 -12.391 -16.160 2.736 1.00 17.48 H new ATOM 409 N ASP A 52 -9.979 -17.980 3.721 1.00 16.88 N ATOM 410 CA ASP A 52 -8.610 -18.239 3.186 1.00 18.12 C ATOM 411 C ASP A 52 -8.231 -17.145 2.199 1.00 17.65 C ATOM 412 O ASP A 52 -9.092 -16.710 1.408 1.00 16.29 O ATOM 413 CB ASP A 52 -8.610 -19.533 2.457 1.00 18.98 C ATOM 414 CG ASP A 52 -8.779 -20.701 3.378 1.00 21.91 C ATOM 415 OD1 ASP A 52 -8.617 -20.627 4.615 1.00 25.27 O ATOM 416 OD2 ASP A 52 -9.012 -21.756 2.852 1.00 28.28 O ATOM 0 H ASP A 52 -10.604 -18.192 3.169 1.00 16.88 H new ATOM 0 HA ASP A 52 -7.980 -18.259 3.923 1.00 18.12 H new ATOM 0 HB2 ASP A 52 -9.326 -19.533 1.802 1.00 18.98 H new ATOM 0 HB3 ASP A 52 -7.778 -19.627 1.968 1.00 18.98 H new ATOM 417 N TYR A 53 -6.978 -16.682 2.292 1.00 16.20 N ATOM 418 CA TYR A 53 -6.552 -15.497 1.574 1.00 16.90 C ATOM 419 C TYR A 53 -5.246 -15.702 0.789 1.00 17.85 C ATOM 420 O TYR A 53 -4.247 -16.192 1.320 1.00 16.14 O ATOM 421 CB TYR A 53 -6.321 -14.362 2.579 1.00 17.77 C ATOM 422 CG TYR A 53 -7.567 -13.888 3.205 1.00 17.52 C ATOM 423 CD1 TYR A 53 -8.037 -14.482 4.372 1.00 17.14 C ATOM 424 CD2 TYR A 53 -8.265 -12.766 2.682 1.00 18.58 C ATOM 425 CE1 TYR A 53 -9.166 -14.006 4.969 1.00 18.56 C ATOM 426 CE2 TYR A 53 -9.453 -12.322 3.251 1.00 17.70 C ATOM 427 CZ TYR A 53 -9.899 -12.953 4.413 1.00 17.19 C ATOM 428 OH TYR A 53 -10.996 -12.500 5.105 1.00 17.69 O ATOM 0 H TYR A 53 -6.364 -17.048 2.770 1.00 16.20 H new ATOM 0 HA TYR A 53 -7.254 -15.288 0.938 1.00 16.90 H new ATOM 0 HB2 TYR A 53 -5.713 -14.667 3.270 1.00 17.77 H new ATOM 0 HB3 TYR A 53 -5.888 -13.620 2.128 1.00 17.77 H new ATOM 0 HD1 TYR A 53 -7.582 -15.203 4.744 1.00 17.14 H new ATOM 0 HD2 TYR A 53 -7.920 -12.319 1.943 1.00 18.58 H new ATOM 0 HE1 TYR A 53 -9.456 -14.391 5.765 1.00 18.56 H new ATOM 0 HE2 TYR A 53 -9.936 -11.625 2.869 1.00 17.70 H new ATOM 0 HH TYR A 53 -10.985 -12.814 5.884 1.00 17.69 H new ATOM 429 N GLY A 54 -5.266 -15.308 -0.468 1.00 17.30 N ATOM 430 CA GLY A 54 -4.035 -15.165 -1.209 1.00 18.57 C ATOM 431 C GLY A 54 -3.557 -16.396 -1.944 1.00 18.04 C ATOM 432 O GLY A 54 -4.237 -17.419 -2.007 1.00 19.03 O ATOM 0 H GLY A 54 -5.980 -15.119 -0.909 1.00 17.30 H new ATOM 0 HA2 GLY A 54 -4.148 -14.449 -1.853 1.00 18.57 H new ATOM 0 HA3 GLY A 54 -3.339 -14.886 -0.594 1.00 18.57 H new ATOM 433 N ILE A 55 -2.353 -16.287 -2.463 1.00 20.49 N ATOM 434 CA ILE A 55 -1.765 -17.340 -3.282 1.00 20.85 C ATOM 435 C ILE A 55 -1.673 -18.698 -2.598 1.00 19.85 C ATOM 436 O ILE A 55 -1.672 -19.733 -3.276 1.00 20.35 O ATOM 437 CB ILE A 55 -0.270 -17.076 -3.713 1.00 25.39 C ATOM 438 CG1 ILE A 55 0.592 -16.481 -2.573 1.00 25.30 C ATOM 439 CG2 ILE A 55 -0.151 -16.436 -5.055 1.00 26.82 C ATOM 440 CD1 ILE A 55 2.043 -16.813 -2.707 1.00 29.71 C ATOM 0 H ILE A 55 -1.846 -15.601 -2.354 1.00 20.49 H new ATOM 0 HA ILE A 55 -2.380 -17.338 -4.032 1.00 20.85 H new ATOM 0 HB ILE A 55 0.146 -17.940 -3.860 1.00 25.39 H new ATOM 0 HG12 ILE A 55 0.485 -15.517 -2.562 1.00 25.30 H new ATOM 0 HG13 ILE A 55 0.267 -16.812 -1.721 1.00 25.30 H new ATOM 0 HG21 ILE A 55 0.786 -16.298 -5.266 1.00 26.82 H new ATOM 0 HG22 ILE A 55 -0.552 -17.012 -5.725 1.00 26.82 H new ATOM 0 HG23 ILE A 55 -0.609 -15.581 -5.048 1.00 26.82 H new ATOM 0 HD11 ILE A 55 2.535 -16.418 -1.970 1.00 29.71 H new ATOM 0 HD12 ILE A 55 2.158 -17.776 -2.692 1.00 29.71 H new ATOM 0 HD13 ILE A 55 2.380 -16.461 -3.546 1.00 29.71 H new ATOM 441 N LEU A 56 -1.487 -18.711 -1.272 1.00 18.32 N ATOM 442 CA LEU A 56 -1.431 -19.951 -0.515 1.00 17.77 C ATOM 443 C LEU A 56 -2.622 -20.124 0.413 1.00 18.15 C ATOM 444 O LEU A 56 -2.605 -21.015 1.243 1.00 18.64 O ATOM 445 CB LEU A 56 -0.122 -20.061 0.241 1.00 17.72 C ATOM 446 CG LEU A 56 1.104 -20.309 -0.642 1.00 18.66 C ATOM 447 CD1 LEU A 56 2.399 -20.030 0.088 1.00 19.38 C ATOM 448 CD2 LEU A 56 1.091 -21.732 -1.175 1.00 19.40 C ATOM 0 H LEU A 56 -1.391 -18.001 -0.796 1.00 18.32 H new ATOM 0 HA LEU A 56 -1.476 -20.677 -1.157 1.00 17.77 H new ATOM 0 HB2 LEU A 56 0.017 -19.244 0.745 1.00 17.72 H new ATOM 0 HB3 LEU A 56 -0.194 -20.783 0.885 1.00 17.72 H new ATOM 0 HG LEU A 56 1.055 -19.689 -1.386 1.00 18.66 H new ATOM 0 HD11 LEU A 56 3.148 -20.199 -0.505 1.00 19.38 H new ATOM 0 HD12 LEU A 56 2.416 -19.103 0.374 1.00 19.38 H new ATOM 0 HD13 LEU A 56 2.465 -20.609 0.864 1.00 19.38 H new ATOM 0 HD21 LEU A 56 1.872 -21.876 -1.732 1.00 19.40 H new ATOM 0 HD22 LEU A 56 1.104 -22.356 -0.432 1.00 19.40 H new ATOM 0 HD23 LEU A 56 0.288 -21.873 -1.701 1.00 19.40 H new ATOM 449 N GLN A 57 -3.671 -19.320 0.237 1.00 16.68 N ATOM 450 CA GLN A 57 -4.931 -19.529 0.899 1.00 17.03 C ATOM 451 C GLN A 57 -4.767 -19.694 2.397 1.00 18.28 C ATOM 452 O GLN A 57 -5.254 -20.689 2.985 1.00 18.22 O ATOM 453 CB GLN A 57 -5.669 -20.724 0.296 1.00 16.68 C ATOM 454 CG GLN A 57 -6.311 -20.449 -1.064 1.00 16.48 C ATOM 455 CD GLN A 57 -7.401 -19.415 -1.024 1.00 17.68 C ATOM 456 OE1 GLN A 57 -8.568 -19.758 -0.889 1.00 19.12 O ATOM 457 NE2 GLN A 57 -7.044 -18.145 -1.224 1.00 17.80 N ATOM 0 H GLN A 57 -3.659 -18.632 -0.279 1.00 16.68 H new ATOM 0 HA GLN A 57 -5.466 -18.733 0.756 1.00 17.03 H new ATOM 0 HB2 GLN A 57 -5.046 -21.462 0.204 1.00 16.68 H new ATOM 0 HB3 GLN A 57 -6.359 -21.010 0.915 1.00 16.68 H new ATOM 0 HG2 GLN A 57 -5.624 -20.158 -1.683 1.00 16.48 H new ATOM 0 HG3 GLN A 57 -6.675 -21.277 -1.413 1.00 16.48 H new ATOM 0 HE21 GLN A 57 -6.213 -17.941 -1.315 1.00 17.80 H new ATOM 0 HE22 GLN A 57 -7.644 -17.530 -1.262 1.00 17.80 H new ATOM 458 N ILE A 58 -4.106 -18.701 2.981 1.00 17.23 N ATOM 459 CA ILE A 58 -3.843 -18.650 4.445 1.00 19.49 C ATOM 460 C ILE A 58 -5.111 -18.209 5.189 1.00 19.49 C ATOM 461 O ILE A 58 -5.798 -17.281 4.813 1.00 18.12 O ATOM 462 CB ILE A 58 -2.610 -17.781 4.764 1.00 19.66 C ATOM 463 CG1 ILE A 58 -1.363 -18.481 4.178 1.00 20.54 C ATOM 464 CG2 ILE A 58 -2.480 -17.508 6.244 1.00 20.73 C ATOM 465 CD1 ILE A 58 -0.125 -17.595 4.231 1.00 21.98 C ATOM 0 H ILE A 58 -3.790 -18.028 2.549 1.00 17.23 H new ATOM 0 HA ILE A 58 -3.622 -19.539 4.763 1.00 19.49 H new ATOM 0 HB ILE A 58 -2.707 -16.908 4.353 1.00 19.66 H new ATOM 0 HG12 ILE A 58 -1.193 -19.300 4.669 1.00 20.54 H new ATOM 0 HG13 ILE A 58 -1.539 -18.733 3.258 1.00 20.54 H new ATOM 0 HG21 ILE A 58 -1.696 -16.960 6.405 1.00 20.73 H new ATOM 0 HG22 ILE A 58 -3.270 -17.040 6.558 1.00 20.73 H new ATOM 0 HG23 ILE A 58 -2.391 -18.348 6.722 1.00 20.73 H new ATOM 0 HD11 ILE A 58 0.631 -18.072 3.855 1.00 21.98 H new ATOM 0 HD12 ILE A 58 -0.284 -16.786 3.720 1.00 21.98 H new ATOM 0 HD13 ILE A 58 0.067 -17.362 5.153 1.00 21.98 H new ATOM 466 N ASN A 59 -5.388 -18.925 6.267 1.00 19.85 N ATOM 467 CA ASN A 59 -6.652 -18.918 6.882 1.00 21.83 C ATOM 468 C ASN A 59 -6.747 -17.901 8.044 1.00 20.93 C ATOM 469 O ASN A 59 -5.782 -17.789 8.771 1.00 21.57 O ATOM 470 CB ASN A 59 -6.894 -20.335 7.288 1.00 27.22 C ATOM 471 CG ASN A 59 -7.748 -20.432 8.436 1.00 36.55 C ATOM 472 OD1 ASN A 59 -7.251 -20.350 9.600 1.00 39.10 O ATOM 473 ND2 ASN A 59 -9.027 -20.579 8.182 1.00 38.02 N ATOM 0 H ASN A 59 -4.815 -19.436 6.655 1.00 19.85 H new ATOM 0 HA ASN A 59 -7.348 -18.613 6.279 1.00 21.83 H new ATOM 0 HB2 ASN A 59 -7.294 -20.818 6.548 1.00 27.22 H new ATOM 0 HB3 ASN A 59 -6.046 -20.764 7.481 1.00 27.22 H new ATOM 0 HD21 ASN A 59 -9.591 -20.626 8.829 1.00 38.02 H new ATOM 0 HD22 ASN A 59 -9.301 -20.628 7.368 1.00 38.02 H new ATOM 474 N SER A 60 -7.886 -17.184 8.192 1.00 19.37 N ATOM 475 CA SER A 60 -8.113 -16.196 9.286 1.00 19.62 C ATOM 476 C SER A 60 -8.368 -16.807 10.687 1.00 20.02 C ATOM 477 O SER A 60 -8.368 -16.103 11.623 1.00 21.29 O ATOM 478 CB SER A 60 -9.320 -15.320 8.962 1.00 18.51 C ATOM 479 OG SER A 60 -10.484 -16.098 8.730 1.00 18.77 O ATOM 0 H SER A 60 -8.555 -17.257 7.656 1.00 19.37 H new ATOM 0 HA SER A 60 -7.282 -15.697 9.329 1.00 19.62 H new ATOM 0 HB2 SER A 60 -9.481 -14.706 9.696 1.00 18.51 H new ATOM 0 HB3 SER A 60 -9.129 -14.781 8.178 1.00 18.51 H new ATOM 0 HG SER A 60 -11.116 -15.803 9.198 1.00 18.77 H new ATOM 480 N ARG A 61 -8.640 -18.095 10.777 1.00 24.12 N ATOM 481 CA ARG A 61 -8.860 -18.823 12.052 1.00 28.62 C ATOM 482 C ARG A 61 -7.633 -18.722 12.932 1.00 28.79 C ATOM 483 O ARG A 61 -7.749 -18.440 14.091 1.00 29.63 O ATOM 484 CB ARG A 61 -9.205 -20.289 11.743 1.00 33.49 C ATOM 485 CG ARG A 61 -9.506 -21.265 12.888 1.00 39.93 C ATOM 486 CD ARG A 61 -10.633 -20.894 13.844 1.00 43.40 C ATOM 487 NE ARG A 61 -11.907 -20.614 13.201 1.00 49.84 N ATOM 488 CZ ARG A 61 -12.859 -19.804 13.696 1.00 50.25 C ATOM 489 NH1 ARG A 61 -13.979 -19.610 13.001 1.00 44.71 N ATOM 490 NH2 ARG A 61 -12.683 -19.150 14.851 1.00 49.48 N ATOM 0 H ARG A 61 -8.708 -18.601 10.085 1.00 24.12 H new ATOM 0 HA ARG A 61 -9.601 -18.423 12.534 1.00 28.62 H new ATOM 0 HB2 ARG A 61 -9.977 -20.286 11.156 1.00 33.49 H new ATOM 0 HB3 ARG A 61 -8.465 -20.659 11.236 1.00 33.49 H new ATOM 0 HG2 ARG A 61 -9.714 -22.129 12.499 1.00 39.93 H new ATOM 0 HG3 ARG A 61 -8.695 -21.376 13.409 1.00 39.93 H new ATOM 0 HD2 ARG A 61 -10.756 -21.619 14.476 1.00 43.40 H new ATOM 0 HD3 ARG A 61 -10.364 -20.115 14.355 1.00 43.40 H new ATOM 0 HE ARG A 61 -12.063 -20.996 12.446 1.00 49.84 H new ATOM 0 HH11 ARG A 61 -14.088 -20.001 12.243 1.00 44.71 H new ATOM 0 HH12 ARG A 61 -14.593 -19.093 13.310 1.00 44.71 H new ATOM 0 HH21 ARG A 61 -11.950 -19.244 15.291 1.00 49.48 H new ATOM 0 HH22 ARG A 61 -13.303 -18.636 15.153 1.00 49.48 H new ATOM 491 N TRP A 62 -6.460 -18.861 12.339 1.00 26.66 N ATOM 492 CA TRP A 62 -5.213 -18.880 13.059 1.00 26.08 C ATOM 493 C TRP A 62 -4.283 -17.766 12.707 1.00 23.95 C ATOM 494 O TRP A 62 -3.634 -17.280 13.593 1.00 24.00 O ATOM 495 CB TRP A 62 -4.493 -20.206 12.841 1.00 29.15 C ATOM 496 CG TRP A 62 -5.221 -21.355 13.401 1.00 32.36 C ATOM 497 CD1 TRP A 62 -5.861 -22.357 12.716 1.00 35.53 C ATOM 498 CD2 TRP A 62 -5.398 -21.625 14.792 1.00 37.36 C ATOM 499 NE1 TRP A 62 -6.438 -23.250 13.623 1.00 40.37 N ATOM 500 CE2 TRP A 62 -6.160 -22.818 14.899 1.00 40.42 C ATOM 501 CE3 TRP A 62 -4.997 -20.954 15.965 1.00 43.91 C ATOM 502 CZ2 TRP A 62 -6.534 -23.366 16.141 1.00 46.19 C ATOM 503 CZ3 TRP A 62 -5.355 -21.498 17.214 1.00 50.37 C ATOM 504 CH2 TRP A 62 -6.124 -22.694 17.288 1.00 53.81 C ATOM 0 H TRP A 62 -6.370 -18.948 11.488 1.00 26.66 H new ATOM 0 HA TRP A 62 -5.456 -18.763 13.991 1.00 26.08 H new ATOM 0 HB2 TRP A 62 -4.363 -20.345 11.890 1.00 29.15 H new ATOM 0 HB3 TRP A 62 -3.612 -20.160 13.244 1.00 29.15 H new ATOM 0 HD1 TRP A 62 -5.904 -22.431 11.790 1.00 35.53 H new ATOM 0 HE1 TRP A 62 -6.891 -23.952 13.418 1.00 40.37 H new ATOM 0 HE3 TRP A 62 -4.505 -20.166 15.915 1.00 43.91 H new ATOM 0 HZ2 TRP A 62 -7.036 -24.147 16.193 1.00 46.19 H new ATOM 0 HZ3 TRP A 62 -5.087 -21.073 17.996 1.00 50.37 H new ATOM 0 HH2 TRP A 62 -6.357 -23.034 18.122 1.00 53.81 H new ATOM 505 N TRP A 63 -4.202 -17.356 11.432 1.00 20.31 N ATOM 506 CA TRP A 63 -3.006 -16.695 10.928 1.00 19.53 C ATOM 507 C TRP A 63 -3.033 -15.215 10.605 1.00 18.54 C ATOM 508 O TRP A 63 -1.995 -14.609 10.641 1.00 19.62 O ATOM 509 CB TRP A 63 -2.477 -17.442 9.710 1.00 19.56 C ATOM 510 CG TRP A 63 -2.305 -18.870 9.959 1.00 19.32 C ATOM 511 CD1 TRP A 63 -3.120 -19.889 9.514 1.00 20.78 C ATOM 512 CD2 TRP A 63 -1.305 -19.479 10.795 1.00 20.87 C ATOM 513 NE1 TRP A 63 -2.639 -21.103 9.977 1.00 22.32 N ATOM 514 CE2 TRP A 63 -1.528 -20.876 10.763 1.00 22.53 C ATOM 515 CE3 TRP A 63 -0.197 -18.988 11.509 1.00 21.61 C ATOM 516 CZ2 TRP A 63 -0.698 -21.785 11.464 1.00 23.86 C ATOM 517 CZ3 TRP A 63 0.603 -19.886 12.212 1.00 20.58 C ATOM 518 CH2 TRP A 63 0.329 -21.266 12.194 1.00 22.84 C ATOM 0 H TRP A 63 -4.829 -17.454 10.852 1.00 20.31 H new ATOM 0 HA TRP A 63 -2.431 -16.733 11.708 1.00 19.53 H new ATOM 0 HB2 TRP A 63 -3.089 -17.318 8.968 1.00 19.56 H new ATOM 0 HB3 TRP A 63 -1.627 -17.059 9.444 1.00 19.56 H new ATOM 0 HD1 TRP A 63 -3.876 -19.778 8.984 1.00 20.78 H new ATOM 0 HE1 TRP A 63 -2.978 -21.874 9.803 1.00 22.32 H new ATOM 0 HE3 TRP A 63 -0.002 -18.079 11.512 1.00 21.61 H new ATOM 0 HZ2 TRP A 63 -0.848 -22.702 11.427 1.00 23.86 H new ATOM 0 HZ3 TRP A 63 1.328 -19.569 12.700 1.00 20.58 H new ATOM 0 HH2 TRP A 63 0.863 -21.840 12.694 1.00 22.84 H new ATOM 519 N CYS A 64 -4.177 -14.649 10.281 1.00 18.03 N ATOM 520 CA CYS A 64 -4.286 -13.234 9.943 1.00 18.99 C ATOM 521 C CYS A 64 -5.578 -12.723 10.549 1.00 18.77 C ATOM 522 O CYS A 64 -6.449 -13.489 10.922 1.00 19.80 O ATOM 523 CB CYS A 64 -4.257 -12.980 8.418 1.00 18.67 C ATOM 524 SG CYS A 64 -5.570 -13.864 7.526 1.00 21.04 S ATOM 0 H CYS A 64 -4.924 -15.074 10.249 1.00 18.03 H new ATOM 0 HA CYS A 64 -3.519 -12.761 10.302 1.00 18.99 H new ATOM 0 HB2 CYS A 64 -4.344 -12.028 8.252 1.00 18.67 H new ATOM 0 HB3 CYS A 64 -3.395 -13.251 8.066 1.00 18.67 H new ATOM 525 N ASN A 65 -5.648 -11.420 10.738 1.00 18.24 N ATOM 526 CA ASN A 65 -6.875 -10.750 11.129 1.00 20.59 C ATOM 527 C ASN A 65 -7.730 -10.171 9.975 1.00 18.11 C ATOM 528 O ASN A 65 -7.272 -9.327 9.220 1.00 18.02 O ATOM 529 CB ASN A 65 -6.595 -9.643 12.135 1.00 21.58 C ATOM 530 CG ASN A 65 -7.877 -8.981 12.611 1.00 24.27 C ATOM 531 OD1 ASN A 65 -8.783 -9.632 13.089 1.00 24.95 O ATOM 532 ND2 ASN A 65 -7.967 -7.692 12.420 1.00 28.25 N ATOM 0 H ASN A 65 -4.977 -10.891 10.642 1.00 18.24 H new ATOM 0 HA ASN A 65 -7.405 -11.461 11.522 1.00 20.59 H new ATOM 0 HB2 ASN A 65 -6.118 -10.010 12.896 1.00 21.58 H new ATOM 0 HB3 ASN A 65 -6.017 -8.977 11.731 1.00 21.58 H new ATOM 0 HD21 ASN A 65 -8.687 -7.275 12.635 1.00 28.25 H new ATOM 0 HD22 ASN A 65 -7.306 -7.261 12.079 1.00 28.25 H new ATOM 533 N ASP A 66 -8.965 -10.645 9.848 1.00 19.29 N ATOM 534 CA ASP A 66 -9.953 -10.032 8.954 1.00 20.66 C ATOM 535 C ASP A 66 -11.152 -9.310 9.643 1.00 21.84 C ATOM 536 O ASP A 66 -12.048 -8.829 8.964 1.00 20.38 O ATOM 537 CB ASP A 66 -10.478 -11.008 7.908 1.00 18.24 C ATOM 538 CG ASP A 66 -11.226 -12.212 8.476 1.00 19.51 C ATOM 539 OD1 ASP A 66 -11.540 -12.274 9.689 1.00 18.74 O ATOM 540 OD2 ASP A 66 -11.515 -13.126 7.664 1.00 17.82 O ATOM 0 H ASP A 66 -9.257 -11.331 10.276 1.00 19.29 H new ATOM 0 HA ASP A 66 -9.436 -9.332 8.525 1.00 20.66 H new ATOM 0 HB2 ASP A 66 -11.069 -10.530 7.306 1.00 18.24 H new ATOM 0 HB3 ASP A 66 -9.731 -11.327 7.378 1.00 18.24 H new ATOM 541 N GLY A 67 -11.171 -9.332 10.966 1.00 23.70 N ATOM 542 CA GLY A 67 -12.164 -8.644 11.796 1.00 24.04 C ATOM 543 C GLY A 67 -13.469 -9.356 11.858 1.00 22.82 C ATOM 544 O GLY A 67 -14.431 -8.854 12.470 1.00 24.19 O ATOM 0 H GLY A 67 -10.587 -9.762 11.428 1.00 23.70 H new ATOM 0 HA2 GLY A 67 -11.813 -8.545 12.695 1.00 24.04 H new ATOM 0 HA3 GLY A 67 -12.306 -7.750 11.447 1.00 24.04 H new ATOM 545 N ARG A 68 -13.580 -10.474 11.161 1.00 23.28 N ATOM 546 CA ARG A 68 -14.822 -11.180 11.089 1.00 24.26 C ATOM 547 C ARG A 68 -14.725 -12.674 11.336 1.00 24.31 C ATOM 548 O ARG A 68 -15.528 -13.426 10.770 1.00 28.59 O ATOM 549 CB ARG A 68 -15.488 -10.919 9.754 1.00 25.14 C ATOM 550 CG ARG A 68 -14.740 -11.451 8.521 1.00 26.95 C ATOM 551 CD ARG A 68 -15.679 -11.502 7.362 1.00 30.12 C ATOM 552 NE ARG A 68 -15.405 -12.573 6.429 1.00 31.32 N ATOM 553 CZ ARG A 68 -15.957 -12.677 5.209 1.00 33.52 C ATOM 554 NH1 ARG A 68 -16.918 -11.802 4.863 1.00 38.51 N ATOM 555 NH2 ARG A 68 -15.594 -13.676 4.348 1.00 25.24 N ATOM 0 H ARG A 68 -12.935 -10.836 10.722 1.00 23.28 H new ATOM 0 HA ARG A 68 -15.359 -10.832 11.818 1.00 24.26 H new ATOM 0 HB2 ARG A 68 -16.374 -11.314 9.770 1.00 25.14 H new ATOM 0 HB3 ARG A 68 -15.607 -9.962 9.652 1.00 25.14 H new ATOM 0 HG2 ARG A 68 -13.985 -10.878 8.315 1.00 26.95 H new ATOM 0 HG3 ARG A 68 -14.384 -12.335 8.702 1.00 26.95 H new ATOM 0 HD2 ARG A 68 -16.585 -11.600 7.695 1.00 30.12 H new ATOM 0 HD3 ARG A 68 -15.641 -10.656 6.889 1.00 30.12 H new ATOM 0 HE ARG A 68 -14.851 -13.184 6.672 1.00 31.32 H new ATOM 0 HH11 ARG A 68 -17.166 -11.194 5.418 1.00 38.51 H new ATOM 0 HH12 ARG A 68 -17.285 -11.851 4.087 1.00 38.51 H new ATOM 0 HH21 ARG A 68 -15.002 -14.253 4.584 1.00 25.24 H new ATOM 0 HH22 ARG A 68 -15.958 -13.727 3.571 1.00 25.24 H new ATOM 556 N THR A 69 -13.751 -13.118 12.125 1.00 22.63 N ATOM 557 CA THR A 69 -13.597 -14.535 12.450 1.00 22.44 C ATOM 558 C THR A 69 -13.607 -14.736 13.989 1.00 25.00 C ATOM 559 O THR A 69 -12.545 -14.824 14.645 1.00 25.21 O ATOM 560 CB THR A 69 -12.338 -15.177 11.800 1.00 23.56 C ATOM 561 OG1 THR A 69 -12.305 -14.870 10.384 1.00 20.39 O ATOM 562 CG2 THR A 69 -12.417 -16.745 11.951 1.00 21.97 C ATOM 0 H THR A 69 -13.161 -12.608 12.487 1.00 22.63 H new ATOM 0 HA THR A 69 -14.357 -15.000 12.067 1.00 22.44 H new ATOM 0 HB THR A 69 -11.547 -14.827 12.238 1.00 23.56 H new ATOM 0 HG1 THR A 69 -12.066 -14.072 10.276 1.00 20.39 H new ATOM 0 HG21 THR A 69 -11.633 -17.149 11.547 1.00 21.97 H new ATOM 0 HG22 THR A 69 -12.452 -16.978 12.892 1.00 21.97 H new ATOM 0 HG23 THR A 69 -13.215 -17.073 11.507 1.00 21.97 H new ATOM 563 N PRO A 70 -14.818 -14.815 14.570 1.00 27.91 N ATOM 564 CA PRO A 70 -14.933 -14.940 16.014 1.00 27.73 C ATOM 565 C PRO A 70 -14.037 -15.944 16.645 1.00 31.56 C ATOM 566 O PRO A 70 -14.049 -17.103 16.251 1.00 35.94 O ATOM 567 CB PRO A 70 -16.413 -15.332 16.192 1.00 30.19 C ATOM 568 CG PRO A 70 -17.067 -14.462 15.157 1.00 28.98 C ATOM 569 CD PRO A 70 -16.157 -14.657 13.954 1.00 27.20 C ATOM 0 HA PRO A 70 -14.662 -14.119 16.455 1.00 27.73 H new ATOM 0 HB2 PRO A 70 -16.565 -16.276 16.027 1.00 30.19 H new ATOM 0 HB3 PRO A 70 -16.737 -15.145 17.087 1.00 30.19 H new ATOM 0 HG2 PRO A 70 -17.977 -14.741 14.972 1.00 28.98 H new ATOM 0 HG3 PRO A 70 -17.106 -13.534 15.436 1.00 28.98 H new ATOM 0 HD2 PRO A 70 -16.408 -15.438 13.436 1.00 27.20 H new ATOM 0 HD3 PRO A 70 -16.188 -13.896 13.353 1.00 27.20 H new ATOM 570 N GLY A 71 -13.274 -15.506 17.644 1.00 32.91 N ATOM 571 CA GLY A 71 -12.486 -16.423 18.453 1.00 37.75 C ATOM 572 C GLY A 71 -11.224 -16.915 17.734 1.00 39.91 C ATOM 573 O GLY A 71 -10.687 -17.947 18.086 1.00 44.62 O ATOM 0 H GLY A 71 -13.201 -14.679 17.868 1.00 32.91 H new ATOM 0 HA2 GLY A 71 -12.232 -15.982 19.279 1.00 37.75 H new ATOM 0 HA3 GLY A 71 -13.033 -17.186 18.695 1.00 37.75 H new ATOM 574 N SER A 72 -10.769 -16.188 16.714 1.00 36.64 N ATOM 575 CA SER A 72 -9.575 -16.559 15.968 1.00 32.86 C ATOM 576 C SER A 72 -8.322 -15.871 16.535 1.00 32.43 C ATOM 577 O SER A 72 -8.379 -14.920 17.328 1.00 31.47 O ATOM 578 CB SER A 72 -9.740 -16.161 14.506 1.00 32.13 C ATOM 579 OG SER A 72 -9.700 -14.755 14.346 1.00 28.23 O ATOM 0 H SER A 72 -11.146 -15.466 16.438 1.00 36.64 H new ATOM 0 HA SER A 72 -9.462 -17.519 16.046 1.00 32.86 H new ATOM 0 HB2 SER A 72 -9.037 -16.569 13.977 1.00 32.13 H new ATOM 0 HB3 SER A 72 -10.583 -16.503 14.169 1.00 32.13 H new ATOM 0 HG SER A 72 -10.480 -14.445 14.390 1.00 28.23 H new ATOM 580 N ARG A 73 -7.199 -16.342 16.052 1.00 28.19 N ATOM 581 CA ARG A 73 -5.918 -15.743 16.273 1.00 29.99 C ATOM 582 C ARG A 73 -5.423 -15.037 14.990 1.00 28.15 C ATOM 583 O ARG A 73 -6.042 -15.104 13.911 1.00 27.02 O ATOM 584 CB ARG A 73 -4.944 -16.839 16.653 1.00 33.53 C ATOM 585 CG ARG A 73 -5.388 -17.710 17.825 1.00 35.99 C ATOM 586 CD ARG A 73 -5.511 -16.898 19.115 1.00 40.08 C ATOM 587 NE ARG A 73 -4.272 -16.163 19.436 1.00 48.83 N ATOM 588 CZ ARG A 73 -3.280 -16.579 20.246 1.00 48.96 C ATOM 589 NH1 ARG A 73 -3.337 -17.750 20.865 1.00 49.18 N ATOM 590 NH2 ARG A 73 -2.206 -15.801 20.428 1.00 51.41 N ATOM 0 H ARG A 73 -7.163 -17.050 15.566 1.00 28.19 H new ATOM 0 HA ARG A 73 -5.984 -15.082 16.980 1.00 29.99 H new ATOM 0 HB2 ARG A 73 -4.798 -17.407 15.881 1.00 33.53 H new ATOM 0 HB3 ARG A 73 -4.090 -16.434 16.872 1.00 33.53 H new ATOM 0 HG2 ARG A 73 -6.242 -18.121 17.618 1.00 35.99 H new ATOM 0 HG3 ARG A 73 -4.750 -18.429 17.954 1.00 35.99 H new ATOM 0 HD2 ARG A 73 -6.245 -16.269 19.030 1.00 40.08 H new ATOM 0 HD3 ARG A 73 -5.731 -17.493 19.849 1.00 40.08 H new ATOM 0 HE ARG A 73 -4.174 -15.392 19.069 1.00 48.83 H new ATOM 0 HH11 ARG A 73 -4.018 -18.263 20.753 1.00 49.18 H new ATOM 0 HH12 ARG A 73 -2.693 -17.997 21.378 1.00 49.18 H new ATOM 0 HH21 ARG A 73 -2.153 -15.041 20.029 1.00 51.41 H new ATOM 0 HH22 ARG A 73 -1.569 -16.061 20.944 1.00 51.41 H new ATOM 591 N ASN A 74 -4.329 -14.332 15.169 1.00 24.68 N ATOM 592 CA ASN A 74 -3.631 -13.609 14.115 1.00 24.49 C ATOM 593 C ASN A 74 -2.129 -13.879 14.346 1.00 25.15 C ATOM 594 O ASN A 74 -1.372 -12.974 14.657 1.00 22.83 O ATOM 595 CB ASN A 74 -3.931 -12.112 14.221 1.00 24.18 C ATOM 596 CG ASN A 74 -3.199 -11.283 13.176 1.00 24.47 C ATOM 597 OD1 ASN A 74 -2.560 -11.812 12.288 1.00 22.42 O ATOM 598 ND2 ASN A 74 -3.318 -9.948 13.275 1.00 27.05 N ATOM 0 H ASN A 74 -3.951 -14.254 15.938 1.00 24.68 H new ATOM 0 HA ASN A 74 -3.910 -13.896 13.232 1.00 24.49 H new ATOM 0 HB2 ASN A 74 -4.886 -11.971 14.127 1.00 24.18 H new ATOM 0 HB3 ASN A 74 -3.684 -11.800 15.105 1.00 24.18 H new ATOM 0 HD21 ASN A 74 -2.935 -9.438 12.698 1.00 27.05 H new ATOM 0 HD22 ASN A 74 -3.777 -9.604 13.915 1.00 27.05 H new ATOM 599 N LEU A 75 -1.735 -15.138 14.168 1.00 24.90 N ATOM 600 CA LEU A 75 -0.358 -15.564 14.501 1.00 26.20 C ATOM 601 C LEU A 75 0.696 -14.987 13.574 1.00 25.51 C ATOM 602 O LEU A 75 1.856 -14.852 13.983 1.00 28.01 O ATOM 603 CB LEU A 75 -0.280 -17.097 14.617 1.00 26.97 C ATOM 604 CG LEU A 75 -1.164 -17.738 15.680 1.00 31.80 C ATOM 605 CD1 LEU A 75 -1.053 -19.256 15.662 1.00 32.48 C ATOM 606 CD2 LEU A 75 -0.744 -17.204 17.068 1.00 35.05 C ATOM 0 H LEU A 75 -2.239 -15.763 13.859 1.00 24.90 H new ATOM 0 HA LEU A 75 -0.146 -15.189 15.370 1.00 26.20 H new ATOM 0 HB2 LEU A 75 -0.512 -17.480 13.756 1.00 26.97 H new ATOM 0 HB3 LEU A 75 0.641 -17.342 14.798 1.00 26.97 H new ATOM 0 HG LEU A 75 -2.087 -17.507 15.492 1.00 31.80 H new ATOM 0 HD11 LEU A 75 -1.627 -19.631 16.349 1.00 32.48 H new ATOM 0 HD12 LEU A 75 -1.328 -19.590 14.794 1.00 32.48 H new ATOM 0 HD13 LEU A 75 -0.134 -19.515 15.832 1.00 32.48 H new ATOM 0 HD21 LEU A 75 -1.302 -17.607 17.752 1.00 35.05 H new ATOM 0 HD22 LEU A 75 0.185 -17.430 17.234 1.00 35.05 H new ATOM 0 HD23 LEU A 75 -0.851 -16.240 17.090 1.00 35.05 H new ATOM 607 N CYS A 76 0.324 -14.535 12.364 1.00 22.49 N ATOM 608 CA CYS A 76 1.300 -13.854 11.525 1.00 23.05 C ATOM 609 C CYS A 76 1.341 -12.337 11.741 1.00 25.37 C ATOM 610 O CYS A 76 2.145 -11.642 11.063 1.00 23.90 O ATOM 611 CB CYS A 76 1.112 -14.198 10.032 1.00 23.08 C ATOM 612 SG CYS A 76 1.470 -15.962 9.729 1.00 22.22 S ATOM 0 H CYS A 76 -0.463 -14.613 12.027 1.00 22.49 H new ATOM 0 HA CYS A 76 2.164 -14.192 11.807 1.00 23.05 H new ATOM 0 HB2 CYS A 76 0.203 -13.996 9.760 1.00 23.08 H new ATOM 0 HB3 CYS A 76 1.699 -13.646 9.491 1.00 23.08 H new ATOM 613 N ASN A 77 0.483 -11.834 12.646 1.00 24.96 N ATOM 614 CA ASN A 77 0.401 -10.397 12.958 1.00 27.11 C ATOM 615 C ASN A 77 0.240 -9.493 11.752 1.00 24.50 C ATOM 616 O ASN A 77 0.971 -8.541 11.567 1.00 24.93 O ATOM 617 CB ASN A 77 1.612 -9.983 13.812 1.00 32.23 C ATOM 618 CG ASN A 77 1.399 -8.672 14.569 1.00 39.75 C ATOM 619 OD1 ASN A 77 2.326 -7.868 14.635 1.00 46.50 O ATOM 620 ND2 ASN A 77 0.197 -8.438 15.139 1.00 41.02 N ATOM 0 H ASN A 77 -0.067 -12.319 13.095 1.00 24.96 H new ATOM 0 HA ASN A 77 -0.419 -10.274 13.462 1.00 27.11 H new ATOM 0 HB2 ASN A 77 1.807 -10.689 14.448 1.00 32.23 H new ATOM 0 HB3 ASN A 77 2.389 -9.895 13.238 1.00 32.23 H new ATOM 0 HD21 ASN A 77 0.059 -7.705 15.567 1.00 41.02 H new ATOM 0 HD22 ASN A 77 -0.431 -9.022 15.074 1.00 41.02 H new ATOM 621 N ILE A 78 -0.763 -9.793 10.943 1.00 23.05 N ATOM 622 CA ILE A 78 -1.032 -9.099 9.723 1.00 23.44 C ATOM 623 C ILE A 78 -2.524 -9.062 9.456 1.00 21.56 C ATOM 624 O ILE A 78 -3.250 -10.015 9.790 1.00 22.18 O ATOM 625 CB ILE A 78 -0.436 -9.780 8.451 1.00 25.72 C ATOM 626 CG1 ILE A 78 -0.637 -11.295 8.486 1.00 27.49 C ATOM 627 CG2 ILE A 78 1.000 -9.370 8.262 1.00 30.03 C ATOM 628 CD1 ILE A 78 -0.491 -11.947 7.128 1.00 32.22 C ATOM 0 H ILE A 78 -1.319 -10.429 11.104 1.00 23.05 H new ATOM 0 HA ILE A 78 -0.629 -8.227 9.856 1.00 23.44 H new ATOM 0 HB ILE A 78 -0.920 -9.470 7.669 1.00 25.72 H new ATOM 0 HG12 ILE A 78 0.006 -11.687 9.097 1.00 27.49 H new ATOM 0 HG13 ILE A 78 -1.519 -11.490 8.839 1.00 27.49 H new ATOM 0 HG21 ILE A 78 1.358 -9.800 7.469 1.00 30.03 H new ATOM 0 HG22 ILE A 78 1.051 -8.407 8.158 1.00 30.03 H new ATOM 0 HG23 ILE A 78 1.518 -9.639 9.037 1.00 30.03 H new ATOM 0 HD11 ILE A 78 -0.628 -12.904 7.212 1.00 32.22 H new ATOM 0 HD12 ILE A 78 -1.150 -11.578 6.519 1.00 32.22 H new ATOM 0 HD13 ILE A 78 0.399 -11.778 6.782 1.00 32.22 H new ATOM 629 N PRO A 79 -2.972 -7.993 8.825 1.00 21.83 N ATOM 630 CA PRO A 79 -4.314 -8.034 8.223 1.00 22.63 C ATOM 631 C PRO A 79 -4.356 -9.033 7.084 1.00 20.86 C ATOM 632 O PRO A 79 -3.429 -9.079 6.239 1.00 20.97 O ATOM 633 CB PRO A 79 -4.535 -6.609 7.710 1.00 22.29 C ATOM 634 CG PRO A 79 -3.182 -5.982 7.640 1.00 24.40 C ATOM 635 CD PRO A 79 -2.186 -6.819 8.372 1.00 23.72 C ATOM 0 HA PRO A 79 -4.999 -8.312 8.851 1.00 22.63 H new ATOM 0 HB2 PRO A 79 -4.960 -6.616 6.838 1.00 22.29 H new ATOM 0 HB3 PRO A 79 -5.118 -6.112 8.306 1.00 22.29 H new ATOM 0 HG2 PRO A 79 -2.912 -5.883 6.714 1.00 24.40 H new ATOM 0 HG3 PRO A 79 -3.211 -5.092 8.024 1.00 24.40 H new ATOM 0 HD2 PRO A 79 -1.452 -7.083 7.796 1.00 23.72 H new ATOM 0 HD3 PRO A 79 -1.800 -6.339 9.121 1.00 23.72 H new ATOM 636 N CYS A 80 -5.442 -9.782 7.004 1.00 20.15 N ATOM 637 CA CYS A 80 -5.565 -10.785 5.944 1.00 20.05 C ATOM 638 C CYS A 80 -5.471 -10.169 4.549 1.00 20.24 C ATOM 639 O CYS A 80 -4.948 -10.796 3.628 1.00 18.84 O ATOM 640 CB CYS A 80 -6.865 -11.571 6.045 1.00 20.37 C ATOM 641 SG CYS A 80 -7.117 -12.482 7.555 1.00 19.79 S ATOM 0 H CYS A 80 -6.112 -9.733 7.540 1.00 20.15 H new ATOM 0 HA CYS A 80 -4.817 -11.389 6.074 1.00 20.05 H new ATOM 0 HB2 CYS A 80 -7.604 -10.953 5.935 1.00 20.37 H new ATOM 0 HB3 CYS A 80 -6.903 -12.194 5.303 1.00 20.37 H new ATOM 642 N SER A 81 -5.947 -8.931 4.412 1.00 19.33 N ATOM 643 CA SER A 81 -5.844 -8.231 3.160 1.00 20.66 C ATOM 644 C SER A 81 -4.433 -8.072 2.635 1.00 20.31 C ATOM 645 O SER A 81 -4.248 -8.073 1.439 1.00 23.12 O ATOM 646 CB SER A 81 -6.527 -6.864 3.247 1.00 21.41 C ATOM 647 OG SER A 81 -5.786 -6.021 4.104 1.00 21.23 O ATOM 0 H SER A 81 -6.332 -8.488 5.041 1.00 19.33 H new ATOM 0 HA SER A 81 -6.302 -8.796 2.518 1.00 20.66 H new ATOM 0 HB2 SER A 81 -6.592 -6.467 2.364 1.00 21.41 H new ATOM 0 HB3 SER A 81 -7.432 -6.965 3.580 1.00 21.41 H new ATOM 0 HG SER A 81 -6.160 -5.270 4.151 1.00 21.23 H new ATOM 648 N ALA A 82 -3.434 -7.960 3.508 1.00 21.41 N ATOM 649 CA ALA A 82 -2.003 -8.003 3.098 1.00 22.99 C ATOM 650 C ALA A 82 -1.617 -9.295 2.336 1.00 23.27 C ATOM 651 O ALA A 82 -0.711 -9.298 1.454 1.00 25.40 O ATOM 652 CB ALA A 82 -1.129 -7.868 4.329 1.00 24.29 C ATOM 0 H ALA A 82 -3.552 -7.857 4.354 1.00 21.41 H new ATOM 0 HA ALA A 82 -1.864 -7.265 2.484 1.00 22.99 H new ATOM 0 HB1 ALA A 82 -0.195 -7.895 4.068 1.00 24.29 H new ATOM 0 HB2 ALA A 82 -1.317 -7.024 4.768 1.00 24.29 H new ATOM 0 HB3 ALA A 82 -1.315 -8.598 4.940 1.00 24.29 H new ATOM 653 N LEU A 83 -2.332 -10.375 2.594 1.00 20.68 N ATOM 654 CA LEU A 83 -2.131 -11.616 1.788 1.00 21.49 C ATOM 655 C LEU A 83 -2.678 -11.573 0.333 1.00 22.13 C ATOM 656 O LEU A 83 -2.472 -12.543 -0.423 1.00 21.26 O ATOM 657 CB LEU A 83 -2.717 -12.809 2.511 1.00 21.88 C ATOM 658 CG LEU A 83 -2.295 -13.003 3.961 1.00 21.46 C ATOM 659 CD1 LEU A 83 -3.183 -13.980 4.671 1.00 20.66 C ATOM 660 CD2 LEU A 83 -0.823 -13.446 3.940 1.00 25.10 C ATOM 0 H LEU A 83 -2.929 -10.432 3.210 1.00 20.68 H new ATOM 0 HA LEU A 83 -1.168 -11.693 1.698 1.00 21.49 H new ATOM 0 HB2 LEU A 83 -3.684 -12.735 2.484 1.00 21.88 H new ATOM 0 HB3 LEU A 83 -2.480 -13.609 2.017 1.00 21.88 H new ATOM 0 HG LEU A 83 -2.384 -12.177 4.462 1.00 21.46 H new ATOM 0 HD11 LEU A 83 -2.886 -14.079 5.589 1.00 20.66 H new ATOM 0 HD12 LEU A 83 -4.097 -13.654 4.660 1.00 20.66 H new ATOM 0 HD13 LEU A 83 -3.141 -14.840 4.224 1.00 20.66 H new ATOM 0 HD21 LEU A 83 -0.513 -13.581 4.849 1.00 25.10 H new ATOM 0 HD22 LEU A 83 -0.742 -14.276 3.444 1.00 25.10 H new ATOM 0 HD23 LEU A 83 -0.285 -12.761 3.514 1.00 25.10 H new ATOM 661 N LEU A 84 -3.374 -10.488 -0.064 1.00 20.21 N ATOM 662 CA LEU A 84 -3.906 -10.364 -1.379 1.00 20.29 C ATOM 663 C LEU A 84 -3.036 -9.484 -2.316 1.00 21.80 C ATOM 664 O LEU A 84 -3.357 -9.319 -3.474 1.00 23.65 O ATOM 665 CB LEU A 84 -5.339 -9.811 -1.317 1.00 21.77 C ATOM 666 CG LEU A 84 -6.354 -10.583 -0.450 1.00 21.59 C ATOM 667 CD1 LEU A 84 -7.736 -9.961 -0.650 1.00 25.67 C ATOM 668 CD2 LEU A 84 -6.389 -12.072 -0.815 1.00 22.54 C ATOM 0 H LEU A 84 -3.537 -9.814 0.445 1.00 20.21 H new ATOM 0 HA LEU A 84 -3.908 -11.255 -1.761 1.00 20.29 H new ATOM 0 HB2 LEU A 84 -5.296 -8.899 -0.989 1.00 21.77 H new ATOM 0 HB3 LEU A 84 -5.685 -9.771 -2.222 1.00 21.77 H new ATOM 0 HG LEU A 84 -6.086 -10.520 0.480 1.00 21.59 H new ATOM 0 HD11 LEU A 84 -8.386 -10.437 -0.110 1.00 25.67 H new ATOM 0 HD12 LEU A 84 -7.714 -9.029 -0.382 1.00 25.67 H new ATOM 0 HD13 LEU A 84 -7.986 -10.022 -1.585 1.00 25.67 H new ATOM 0 HD21 LEU A 84 -7.035 -12.528 -0.253 1.00 22.54 H new ATOM 0 HD22 LEU A 84 -6.643 -12.171 -1.746 1.00 22.54 H new ATOM 0 HD23 LEU A 84 -5.511 -12.460 -0.677 1.00 22.54 H new ATOM 669 N SER A 85 -1.992 -8.889 -1.787 1.00 24.07 N ATOM 670 CA SER A 85 -1.151 -7.947 -2.514 1.00 24.54 C ATOM 671 C SER A 85 -0.390 -8.603 -3.670 1.00 24.44 C ATOM 672 O SER A 85 -0.100 -9.781 -3.644 1.00 23.06 O ATOM 673 CB SER A 85 -0.108 -7.380 -1.545 1.00 24.65 C ATOM 674 OG SER A 85 0.839 -6.560 -2.233 1.00 24.90 O ATOM 0 H SER A 85 -1.740 -9.019 -0.975 1.00 24.07 H new ATOM 0 HA SER A 85 -1.734 -7.263 -2.879 1.00 24.54 H new ATOM 0 HB2 SER A 85 -0.551 -6.860 -0.856 1.00 24.65 H new ATOM 0 HB3 SER A 85 0.353 -8.108 -1.099 1.00 24.65 H new ATOM 0 HG SER A 85 1.314 -6.151 -1.674 1.00 24.90 H new ATOM 675 N SER A 86 -0.012 -7.802 -4.660 1.00 24.45 N ATOM 676 CA SER A 86 0.828 -8.261 -5.756 1.00 26.33 C ATOM 677 C SER A 86 2.267 -8.578 -5.278 1.00 26.60 C ATOM 678 O SER A 86 2.976 -9.398 -5.888 1.00 27.26 O ATOM 679 CB SER A 86 0.849 -7.186 -6.861 1.00 28.56 C ATOM 680 OG SER A 86 1.203 -5.952 -6.284 1.00 28.19 O ATOM 0 H SER A 86 -0.237 -6.974 -4.714 1.00 24.45 H new ATOM 0 HA SER A 86 0.456 -9.085 -6.108 1.00 26.33 H new ATOM 0 HB2 SER A 86 1.484 -7.428 -7.553 1.00 28.56 H new ATOM 0 HB3 SER A 86 -0.021 -7.122 -7.284 1.00 28.56 H new ATOM 0 HG SER A 86 0.533 -5.446 -6.272 1.00 28.19 H new ATOM 681 N ASP A 87 2.679 -7.911 -4.199 1.00 27.62 N ATOM 682 CA ASP A 87 3.836 -8.257 -3.384 1.00 27.97 C ATOM 683 C ASP A 87 3.528 -9.455 -2.423 1.00 27.78 C ATOM 684 O ASP A 87 2.767 -9.311 -1.420 1.00 24.35 O ATOM 685 CB ASP A 87 4.215 -7.039 -2.515 1.00 31.86 C ATOM 686 CG ASP A 87 5.513 -7.265 -1.708 1.00 35.55 C ATOM 687 OD1 ASP A 87 6.019 -8.395 -1.709 1.00 30.24 O ATOM 688 OD2 ASP A 87 6.038 -6.296 -1.094 1.00 39.07 O ATOM 0 H ASP A 87 2.269 -7.212 -3.912 1.00 27.62 H new ATOM 0 HA ASP A 87 4.557 -8.510 -3.981 1.00 27.97 H new ATOM 0 HB2 ASP A 87 4.324 -6.261 -3.084 1.00 31.86 H new ATOM 0 HB3 ASP A 87 3.488 -6.844 -1.903 1.00 31.86 H new ATOM 689 N ILE A 88 4.225 -10.566 -2.654 1.00 26.46 N ATOM 690 CA ILE A 88 3.950 -11.824 -1.955 1.00 28.05 C ATOM 691 C ILE A 88 4.728 -11.928 -0.701 1.00 27.12 C ATOM 692 O ILE A 88 4.666 -12.967 -0.078 1.00 25.15 O ATOM 693 CB ILE A 88 4.249 -13.104 -2.837 1.00 26.19 C ATOM 694 CG1 ILE A 88 5.794 -13.322 -3.068 1.00 27.78 C ATOM 695 CG2 ILE A 88 3.465 -13.032 -4.152 1.00 26.28 C ATOM 696 CD1 ILE A 88 6.118 -14.604 -3.815 1.00 27.97 C ATOM 0 H ILE A 88 4.871 -10.613 -3.220 1.00 26.46 H new ATOM 0 HA ILE A 88 3.000 -11.803 -1.759 1.00 28.05 H new ATOM 0 HB ILE A 88 3.945 -13.886 -2.350 1.00 26.19 H new ATOM 0 HG12 ILE A 88 6.149 -12.568 -3.564 1.00 27.78 H new ATOM 0 HG13 ILE A 88 6.244 -13.334 -2.209 1.00 27.78 H new ATOM 0 HG21 ILE A 88 3.654 -13.820 -4.685 1.00 26.28 H new ATOM 0 HG22 ILE A 88 2.515 -12.992 -3.961 1.00 26.28 H new ATOM 0 HG23 ILE A 88 3.729 -12.238 -4.643 1.00 26.28 H new ATOM 0 HD11 ILE A 88 7.079 -14.681 -3.925 1.00 27.97 H new ATOM 0 HD12 ILE A 88 5.789 -15.365 -3.311 1.00 27.97 H new ATOM 0 HD13 ILE A 88 5.693 -14.587 -4.687 1.00 27.97 H new ATOM 697 N THR A 89 5.485 -10.891 -0.319 1.00 25.03 N ATOM 698 CA THR A 89 6.254 -10.928 0.931 1.00 23.81 C ATOM 699 C THR A 89 5.463 -11.435 2.181 1.00 24.22 C ATOM 700 O THR A 89 5.927 -12.301 2.944 1.00 23.01 O ATOM 701 CB THR A 89 6.828 -9.518 1.224 1.00 26.51 C ATOM 702 OG1 THR A 89 7.732 -9.143 0.179 1.00 26.57 O ATOM 703 CG2 THR A 89 7.553 -9.505 2.530 1.00 29.46 C ATOM 0 H THR A 89 5.566 -10.162 -0.767 1.00 25.03 H new ATOM 0 HA THR A 89 6.958 -11.579 0.785 1.00 23.81 H new ATOM 0 HB THR A 89 6.092 -8.888 1.268 1.00 26.51 H new ATOM 0 HG1 THR A 89 7.296 -8.857 -0.480 1.00 26.57 H new ATOM 0 HG21 THR A 89 7.905 -8.616 2.696 1.00 29.46 H new ATOM 0 HG22 THR A 89 6.941 -9.749 3.242 1.00 29.46 H new ATOM 0 HG23 THR A 89 8.284 -10.141 2.501 1.00 29.46 H new ATOM 704 N ALA A 90 4.272 -10.884 2.407 1.00 25.30 N ATOM 705 CA ALA A 90 3.493 -11.230 3.590 1.00 22.88 C ATOM 706 C ALA A 90 3.019 -12.677 3.534 1.00 22.46 C ATOM 707 O ALA A 90 3.041 -13.397 4.555 1.00 23.43 O ATOM 708 CB ALA A 90 2.318 -10.264 3.795 1.00 24.62 C ATOM 0 H ALA A 90 3.899 -10.309 1.888 1.00 25.30 H new ATOM 0 HA ALA A 90 4.077 -11.141 4.359 1.00 22.88 H new ATOM 0 HB1 ALA A 90 1.822 -10.521 4.588 1.00 24.62 H new ATOM 0 HB2 ALA A 90 2.656 -9.361 3.905 1.00 24.62 H new ATOM 0 HB3 ALA A 90 1.732 -10.298 3.022 1.00 24.62 H new ATOM 709 N SER A 91 2.498 -13.091 2.395 1.00 20.14 N ATOM 710 CA SER A 91 2.165 -14.487 2.186 1.00 20.47 C ATOM 711 C SER A 91 3.342 -15.423 2.461 1.00 19.76 C ATOM 712 O SER A 91 3.176 -16.404 3.209 1.00 18.74 O ATOM 713 CB SER A 91 1.622 -14.726 0.802 1.00 19.68 C ATOM 714 OG SER A 91 0.298 -14.277 0.742 1.00 18.40 O ATOM 0 H SER A 91 2.328 -12.578 1.726 1.00 20.14 H new ATOM 0 HA SER A 91 1.472 -14.695 2.832 1.00 20.47 H new ATOM 0 HB2 SER A 91 2.163 -14.259 0.146 1.00 19.68 H new ATOM 0 HB3 SER A 91 1.665 -15.670 0.585 1.00 19.68 H new ATOM 0 HG SER A 91 0.289 -13.441 0.657 1.00 18.40 H new ATOM 715 N VAL A 92 4.529 -15.068 1.964 1.00 19.07 N ATOM 716 CA VAL A 92 5.715 -15.914 2.126 1.00 20.99 C ATOM 717 C VAL A 92 6.160 -16.012 3.569 1.00 22.53 C ATOM 718 O VAL A 92 6.343 -17.130 4.100 1.00 21.26 O ATOM 719 CB VAL A 92 6.895 -15.441 1.244 1.00 24.34 C ATOM 720 CG1 VAL A 92 8.179 -16.179 1.649 1.00 23.76 C ATOM 721 CG2 VAL A 92 6.554 -15.670 -0.212 1.00 23.52 C ATOM 0 H VAL A 92 4.669 -14.340 1.529 1.00 19.07 H new ATOM 0 HA VAL A 92 5.447 -16.798 1.831 1.00 20.99 H new ATOM 0 HB VAL A 92 7.049 -14.492 1.374 1.00 24.34 H new ATOM 0 HG11 VAL A 92 8.915 -15.878 1.093 1.00 23.76 H new ATOM 0 HG12 VAL A 92 8.380 -15.992 2.579 1.00 23.76 H new ATOM 0 HG13 VAL A 92 8.055 -17.134 1.531 1.00 23.76 H new ATOM 0 HG21 VAL A 92 7.292 -15.374 -0.768 1.00 23.52 H new ATOM 0 HG22 VAL A 92 6.395 -16.615 -0.363 1.00 23.52 H new ATOM 0 HG23 VAL A 92 5.756 -15.168 -0.441 1.00 23.52 H new ATOM 722 N ASN A 93 6.338 -14.858 4.213 1.00 22.05 N ATOM 723 CA ASN A 93 6.664 -14.820 5.648 1.00 23.20 C ATOM 724 C ASN A 93 5.703 -15.569 6.520 1.00 23.08 C ATOM 725 O ASN A 93 6.145 -16.274 7.422 1.00 20.79 O ATOM 726 CB ASN A 93 6.773 -13.374 6.165 1.00 27.76 C ATOM 727 CG ASN A 93 8.002 -12.681 5.611 1.00 35.76 C ATOM 728 OD1 ASN A 93 8.808 -13.325 4.961 1.00 43.27 O ATOM 729 ND2 ASN A 93 8.118 -11.368 5.812 1.00 41.61 N ATOM 0 H ASN A 93 6.275 -14.085 3.841 1.00 22.05 H new ATOM 0 HA ASN A 93 7.522 -15.268 5.710 1.00 23.20 H new ATOM 0 HB2 ASN A 93 5.978 -12.878 5.913 1.00 27.76 H new ATOM 0 HB3 ASN A 93 6.810 -13.377 7.134 1.00 27.76 H new ATOM 0 HD21 ASN A 93 8.784 -10.939 5.477 1.00 41.61 H new ATOM 0 HD22 ASN A 93 7.527 -10.950 6.277 1.00 41.61 H new ATOM 730 N CYS A 94 4.408 -15.450 6.211 1.00 20.66 N ATOM 731 CA CYS A 94 3.384 -16.158 6.991 1.00 22.02 C ATOM 732 C CYS A 94 3.423 -17.676 6.699 1.00 20.51 C ATOM 733 O CYS A 94 3.353 -18.490 7.597 1.00 22.88 O ATOM 734 CB CYS A 94 2.014 -15.552 6.748 1.00 21.24 C ATOM 735 SG CYS A 94 0.747 -16.255 7.824 1.00 22.59 S ATOM 0 H CYS A 94 4.104 -14.972 5.564 1.00 20.66 H new ATOM 0 HA CYS A 94 3.578 -16.050 7.935 1.00 22.02 H new ATOM 0 HB2 CYS A 94 2.058 -14.593 6.889 1.00 21.24 H new ATOM 0 HB3 CYS A 94 1.761 -15.691 5.822 1.00 21.24 H new ATOM 736 N ALA A 95 3.568 -18.045 5.434 1.00 20.50 N ATOM 737 CA ALA A 95 3.765 -19.452 5.095 1.00 20.55 C ATOM 738 C ALA A 95 4.982 -20.036 5.816 1.00 19.76 C ATOM 739 O ALA A 95 4.961 -21.198 6.256 1.00 19.79 O ATOM 740 CB ALA A 95 3.892 -19.665 3.581 1.00 18.66 C ATOM 0 H ALA A 95 3.556 -17.507 4.763 1.00 20.50 H new ATOM 0 HA ALA A 95 2.973 -19.924 5.397 1.00 20.55 H new ATOM 0 HB1 ALA A 95 4.021 -20.608 3.396 1.00 18.66 H new ATOM 0 HB2 ALA A 95 3.083 -19.358 3.142 1.00 18.66 H new ATOM 0 HB3 ALA A 95 4.652 -19.163 3.246 1.00 18.66 H new ATOM 741 N LYS A 96 6.047 -19.281 5.943 1.00 19.80 N ATOM 742 CA LYS A 96 7.206 -19.856 6.666 1.00 21.70 C ATOM 743 C LYS A 96 6.866 -20.208 8.116 1.00 23.57 C ATOM 744 O LYS A 96 7.344 -21.238 8.628 1.00 22.52 O ATOM 745 CB LYS A 96 8.387 -18.901 6.609 1.00 22.98 C ATOM 746 CG LYS A 96 9.073 -18.799 5.280 1.00 22.50 C ATOM 747 CD LYS A 96 10.109 -17.676 5.288 1.00 24.68 C ATOM 748 CE LYS A 96 10.948 -17.769 4.015 1.00 26.90 C ATOM 749 NZ LYS A 96 11.788 -16.575 3.764 1.00 31.60 N ATOM 0 H LYS A 96 6.140 -18.479 5.646 1.00 19.80 H new ATOM 0 HA LYS A 96 7.445 -20.684 6.221 1.00 21.70 H new ATOM 0 HB2 LYS A 96 8.081 -18.017 6.866 1.00 22.98 H new ATOM 0 HB3 LYS A 96 9.039 -19.178 7.271 1.00 22.98 H new ATOM 0 HG2 LYS A 96 9.505 -19.641 5.069 1.00 22.50 H new ATOM 0 HG3 LYS A 96 8.417 -18.634 4.585 1.00 22.50 H new ATOM 0 HD2 LYS A 96 9.668 -16.813 5.337 1.00 24.68 H new ATOM 0 HD3 LYS A 96 10.677 -17.749 6.071 1.00 24.68 H new ATOM 0 HE2 LYS A 96 11.520 -18.550 4.071 1.00 26.90 H new ATOM 0 HE3 LYS A 96 10.357 -17.904 3.257 1.00 26.90 H new ATOM 0 HZ1 LYS A 96 11.898 -16.468 2.887 1.00 31.60 H new ATOM 0 HZ2 LYS A 96 11.389 -15.855 4.102 1.00 31.60 H new ATOM 0 HZ3 LYS A 96 12.582 -16.684 4.151 1.00 31.60 H new ATOM 750 N LYS A 97 6.031 -19.391 8.790 1.00 24.25 N ATOM 751 CA LYS A 97 5.650 -19.700 10.144 1.00 24.86 C ATOM 752 C LYS A 97 4.729 -20.921 10.141 1.00 23.70 C ATOM 753 O LYS A 97 4.798 -21.760 11.033 1.00 23.32 O ATOM 754 CB LYS A 97 4.912 -18.560 10.879 1.00 30.79 C ATOM 755 CG LYS A 97 5.546 -17.203 10.854 1.00 41.59 C ATOM 756 CD LYS A 97 4.855 -16.237 11.821 1.00 47.43 C ATOM 757 CE LYS A 97 5.704 -14.965 12.011 1.00 52.94 C ATOM 758 NZ LYS A 97 5.760 -14.100 10.781 1.00 50.50 N ATOM 0 H LYS A 97 5.689 -18.669 8.471 1.00 24.25 H new ATOM 0 HA LYS A 97 6.481 -19.857 10.619 1.00 24.86 H new ATOM 0 HB2 LYS A 97 4.023 -18.483 10.498 1.00 30.79 H new ATOM 0 HB3 LYS A 97 4.801 -18.823 11.806 1.00 30.79 H new ATOM 0 HG2 LYS A 97 6.484 -17.280 11.088 1.00 41.59 H new ATOM 0 HG3 LYS A 97 5.507 -16.844 9.954 1.00 41.59 H new ATOM 0 HD2 LYS A 97 3.979 -16.000 11.479 1.00 47.43 H new ATOM 0 HD3 LYS A 97 4.717 -16.671 12.677 1.00 47.43 H new ATOM 0 HE2 LYS A 97 5.341 -14.448 12.747 1.00 52.94 H new ATOM 0 HE3 LYS A 97 6.606 -15.220 12.261 1.00 52.94 H new ATOM 0 HZ1 LYS A 97 6.174 -13.336 10.974 1.00 50.50 H new ATOM 0 HZ2 LYS A 97 6.206 -14.525 10.139 1.00 50.50 H new ATOM 0 HZ3 LYS A 97 4.933 -13.927 10.502 1.00 50.50 H new ATOM 759 N ILE A 98 3.831 -20.986 9.163 1.00 22.38 N ATOM 760 CA ILE A 98 2.857 -22.050 9.088 1.00 22.61 C ATOM 761 C ILE A 98 3.597 -23.381 8.924 1.00 23.81 C ATOM 762 O ILE A 98 3.327 -24.336 9.644 1.00 23.77 O ATOM 763 CB ILE A 98 1.829 -21.856 7.945 1.00 21.19 C ATOM 764 CG1 ILE A 98 0.971 -20.606 8.174 1.00 23.50 C ATOM 765 CG2 ILE A 98 0.896 -23.047 7.833 1.00 20.02 C ATOM 766 CD1 ILE A 98 0.196 -20.144 6.957 1.00 21.75 C ATOM 0 H ILE A 98 3.775 -20.410 8.527 1.00 22.38 H new ATOM 0 HA ILE A 98 2.344 -22.043 9.911 1.00 22.61 H new ATOM 0 HB ILE A 98 2.343 -21.760 7.128 1.00 21.19 H new ATOM 0 HG12 ILE A 98 0.345 -20.785 8.893 1.00 23.50 H new ATOM 0 HG13 ILE A 98 1.546 -19.883 8.471 1.00 23.50 H new ATOM 0 HG21 ILE A 98 0.265 -22.898 7.111 1.00 20.02 H new ATOM 0 HG22 ILE A 98 1.413 -23.847 7.650 1.00 20.02 H new ATOM 0 HG23 ILE A 98 0.412 -23.159 8.666 1.00 20.02 H new ATOM 0 HD11 ILE A 98 -0.319 -19.353 7.182 1.00 21.75 H new ATOM 0 HD12 ILE A 98 0.814 -19.934 6.240 1.00 21.75 H new ATOM 0 HD13 ILE A 98 -0.405 -20.849 6.669 1.00 21.75 H new ATOM 767 N VAL A 99 4.522 -23.428 7.971 1.00 24.59 N ATOM 768 CA VAL A 99 5.193 -24.676 7.640 1.00 23.92 C ATOM 769 C VAL A 99 6.167 -25.127 8.767 1.00 27.80 C ATOM 770 O VAL A 99 6.529 -26.295 8.845 1.00 22.92 O ATOM 771 CB VAL A 99 5.905 -24.553 6.309 1.00 21.84 C ATOM 772 CG1 VAL A 99 7.183 -23.768 6.461 1.00 23.70 C ATOM 773 CG2 VAL A 99 6.181 -25.929 5.678 1.00 24.03 C ATOM 0 H VAL A 99 4.774 -22.750 7.506 1.00 24.59 H new ATOM 0 HA VAL A 99 4.517 -25.367 7.563 1.00 23.92 H new ATOM 0 HB VAL A 99 5.316 -24.072 5.707 1.00 21.84 H new ATOM 0 HG11 VAL A 99 7.625 -23.699 5.600 1.00 23.70 H new ATOM 0 HG12 VAL A 99 6.980 -22.879 6.791 1.00 23.70 H new ATOM 0 HG13 VAL A 99 7.768 -24.220 7.089 1.00 23.70 H new ATOM 0 HG21 VAL A 99 6.636 -25.811 4.830 1.00 24.03 H new ATOM 0 HG22 VAL A 99 6.739 -26.452 6.274 1.00 24.03 H new ATOM 0 HG23 VAL A 99 5.342 -26.392 5.532 1.00 24.03 H new ATOM 774 N SER A 100 6.586 -24.173 9.612 1.00 27.67 N ATOM 775 CA SER A 100 7.353 -24.475 10.813 1.00 30.05 C ATOM 776 C SER A 100 6.518 -24.936 11.962 1.00 31.44 C ATOM 777 O SER A 100 7.080 -25.310 12.952 1.00 34.21 O ATOM 778 CB SER A 100 8.123 -23.241 11.242 1.00 29.30 C ATOM 779 OG SER A 100 8.906 -22.821 10.153 1.00 26.89 O ATOM 0 H SER A 100 6.429 -23.335 9.498 1.00 27.67 H new ATOM 0 HA SER A 100 7.946 -25.206 10.579 1.00 30.05 H new ATOM 0 HB2 SER A 100 7.513 -22.537 11.513 1.00 29.30 H new ATOM 0 HB3 SER A 100 8.685 -23.440 12.007 1.00 29.30 H new ATOM 0 HG SER A 100 8.448 -22.324 9.653 1.00 26.89 H new ATOM 780 N ASP A 101 5.190 -24.946 11.880 1.00 34.20 N ATOM 781 CA ASP A 101 4.403 -25.166 13.105 1.00 38.88 C ATOM 782 C ASP A 101 4.253 -26.668 13.531 1.00 38.74 C ATOM 783 O ASP A 101 3.476 -26.953 14.441 1.00 38.87 O ATOM 784 CB ASP A 101 3.028 -24.458 13.029 1.00 44.07 C ATOM 785 CG ASP A 101 1.985 -25.265 12.290 1.00 53.07 C ATOM 786 OD1 ASP A 101 2.263 -26.450 11.981 1.00 59.74 O ATOM 787 OD2 ASP A 101 0.881 -24.729 12.008 1.00 63.03 O ATOM 0 H ASP A 101 4.735 -24.833 11.159 1.00 34.20 H new ATOM 0 HA ASP A 101 4.925 -24.758 13.813 1.00 38.88 H new ATOM 0 HB2 ASP A 101 2.713 -24.279 13.929 1.00 44.07 H new ATOM 0 HB3 ASP A 101 3.136 -23.600 12.590 1.00 44.07 H new ATOM 788 N GLY A 102 4.954 -27.616 12.888 1.00 36.39 N ATOM 789 CA GLY A 102 4.872 -29.038 13.297 1.00 34.49 C ATOM 790 C GLY A 102 4.343 -30.002 12.226 1.00 34.51 C ATOM 791 O GLY A 102 4.857 -31.129 12.109 1.00 26.26 O ATOM 0 H GLY A 102 5.476 -27.464 12.222 1.00 36.39 H new ATOM 0 HA2 GLY A 102 5.756 -29.332 13.567 1.00 34.49 H new ATOM 0 HA3 GLY A 102 4.301 -29.102 14.078 1.00 34.49 H new ATOM 792 N ASN A 103 3.352 -29.573 11.422 1.00 31.83 N ATOM 793 CA ASN A 103 2.788 -30.437 10.377 1.00 30.07 C ATOM 794 C ASN A 103 3.351 -30.242 8.988 1.00 24.65 C ATOM 795 O ASN A 103 2.986 -30.950 8.060 1.00 20.71 O ATOM 796 CB ASN A 103 1.273 -30.389 10.431 1.00 35.26 C ATOM 797 CG ASN A 103 0.772 -30.766 11.830 1.00 43.51 C ATOM 798 OD1 ASN A 103 0.064 -29.977 12.500 1.00 54.96 O ATOM 799 ND2 ASN A 103 1.225 -31.922 12.322 1.00 37.43 N ATOM 0 H ASN A 103 2.998 -28.791 11.468 1.00 31.83 H new ATOM 0 HA ASN A 103 3.080 -31.339 10.584 1.00 30.07 H new ATOM 0 HB2 ASN A 103 0.964 -29.499 10.200 1.00 35.26 H new ATOM 0 HB3 ASN A 103 0.901 -30.998 9.774 1.00 35.26 H new ATOM 0 HD21 ASN A 103 1.033 -32.151 13.129 1.00 37.43 H new ATOM 0 HD22 ASN A 103 1.708 -32.438 11.832 1.00 37.43 H new ATOM 800 N GLY A 104 4.330 -29.365 8.885 1.00 20.95 N ATOM 801 CA GLY A 104 4.945 -29.117 7.612 1.00 23.22 C ATOM 802 C GLY A 104 3.904 -28.640 6.602 1.00 18.68 C ATOM 803 O GLY A 104 2.992 -27.910 6.946 1.00 18.38 O ATOM 0 H GLY A 104 4.648 -28.907 9.540 1.00 20.95 H new ATOM 0 HA2 GLY A 104 5.642 -28.449 7.707 1.00 23.22 H new ATOM 0 HA3 GLY A 104 5.371 -29.926 7.289 1.00 23.22 H new ATOM 804 N MET A 105 4.042 -29.054 5.362 1.00 19.99 N ATOM 805 CA MET A 105 3.151 -28.555 4.313 1.00 18.47 C ATOM 806 C MET A 105 1.819 -29.262 4.344 1.00 18.44 C ATOM 807 O MET A 105 0.913 -28.892 3.614 1.00 17.73 O ATOM 808 CB MET A 105 3.801 -28.636 2.945 1.00 19.28 C ATOM 809 CG MET A 105 4.839 -27.516 2.732 1.00 17.98 C ATOM 810 SD MET A 105 5.295 -27.378 0.989 1.00 20.42 S ATOM 811 CE MET A 105 3.793 -26.548 0.384 1.00 20.61 C ATOM 0 H MET A 105 4.636 -29.618 5.098 1.00 19.99 H new ATOM 0 HA MET A 105 2.983 -27.617 4.492 1.00 18.47 H new ATOM 0 HB2 MET A 105 4.232 -29.499 2.843 1.00 19.28 H new ATOM 0 HB3 MET A 105 3.118 -28.577 2.259 1.00 19.28 H new ATOM 0 HG2 MET A 105 4.477 -26.672 3.043 1.00 17.98 H new ATOM 0 HG3 MET A 105 5.630 -27.698 3.263 1.00 17.98 H new ATOM 0 HE1 MET A 105 3.954 -26.195 -0.505 1.00 20.61 H new ATOM 0 HE2 MET A 105 3.062 -27.185 0.351 1.00 20.61 H new ATOM 0 HE3 MET A 105 3.561 -25.821 0.983 1.00 20.61 H new ATOM 812 N ASN A 106 1.666 -30.290 5.196 1.00 19.79 N ATOM 813 CA ASN A 106 0.353 -30.925 5.398 1.00 19.09 C ATOM 814 C ASN A 106 -0.682 -29.944 5.937 1.00 20.55 C ATOM 815 O ASN A 106 -1.862 -30.209 5.799 1.00 19.49 O ATOM 816 CB ASN A 106 0.421 -32.134 6.317 1.00 21.42 C ATOM 817 CG ASN A 106 1.305 -33.222 5.761 1.00 18.53 C ATOM 818 OD1 ASN A 106 0.952 -33.873 4.820 1.00 19.20 O ATOM 819 ND2 ASN A 106 2.473 -33.401 6.346 1.00 19.03 N ATOM 0 H ASN A 106 2.304 -30.631 5.661 1.00 19.79 H new ATOM 0 HA ASN A 106 0.077 -31.225 4.518 1.00 19.09 H new ATOM 0 HB2 ASN A 106 0.755 -31.860 7.185 1.00 21.42 H new ATOM 0 HB3 ASN A 106 -0.473 -32.484 6.455 1.00 21.42 H new ATOM 0 HD21 ASN A 106 3.013 -34.003 6.053 1.00 19.03 H new ATOM 0 HD22 ASN A 106 2.695 -32.916 7.020 1.00 19.03 H new ATOM 820 N ALA A 107 -0.242 -28.807 6.494 1.00 20.76 N ATOM 821 CA ALA A 107 -1.117 -27.693 6.819 1.00 21.97 C ATOM 822 C ALA A 107 -1.977 -27.242 5.620 1.00 20.55 C ATOM 823 O ALA A 107 -3.118 -26.778 5.789 1.00 23.84 O ATOM 824 CB ALA A 107 -0.316 -26.542 7.361 1.00 22.49 C ATOM 0 H ALA A 107 0.583 -28.668 6.692 1.00 20.76 H new ATOM 0 HA ALA A 107 -1.732 -28.004 7.501 1.00 21.97 H new ATOM 0 HB1 ALA A 107 -0.910 -25.806 7.574 1.00 22.49 H new ATOM 0 HB2 ALA A 107 0.151 -26.822 8.164 1.00 22.49 H new ATOM 0 HB3 ALA A 107 0.329 -26.255 6.696 1.00 22.49 H new ATOM 825 N TRP A 108 -1.436 -27.364 4.416 1.00 19.17 N ATOM 826 CA TRP A 108 -2.173 -27.082 3.183 1.00 19.31 C ATOM 827 C TRP A 108 -2.824 -28.356 2.685 1.00 22.14 C ATOM 828 O TRP A 108 -2.171 -29.227 2.061 1.00 19.16 O ATOM 829 CB TRP A 108 -1.246 -26.480 2.136 1.00 19.24 C ATOM 830 CG TRP A 108 -0.830 -25.038 2.436 1.00 18.77 C ATOM 831 CD1 TRP A 108 -1.536 -23.911 2.117 1.00 18.88 C ATOM 832 CD2 TRP A 108 0.341 -24.577 3.131 1.00 18.32 C ATOM 833 NE1 TRP A 108 -0.889 -22.801 2.554 1.00 18.97 N ATOM 834 CE2 TRP A 108 0.275 -23.168 3.174 1.00 17.50 C ATOM 835 CE3 TRP A 108 1.418 -25.203 3.737 1.00 19.04 C ATOM 836 CZ2 TRP A 108 1.264 -22.383 3.766 1.00 17.95 C ATOM 837 CZ3 TRP A 108 2.412 -24.392 4.384 1.00 18.67 C ATOM 838 CH2 TRP A 108 2.326 -23.009 4.357 1.00 17.54 C ATOM 0 H TRP A 108 -0.624 -27.615 4.286 1.00 19.17 H new ATOM 0 HA TRP A 108 -2.870 -26.431 3.361 1.00 19.31 H new ATOM 0 HB2 TRP A 108 -0.450 -27.030 2.067 1.00 19.24 H new ATOM 0 HB3 TRP A 108 -1.686 -26.508 1.272 1.00 19.24 H new ATOM 0 HD1 TRP A 108 -2.348 -23.906 1.663 1.00 18.88 H new ATOM 0 HE1 TRP A 108 -1.167 -21.993 2.457 1.00 18.97 H new ATOM 0 HE3 TRP A 108 1.496 -26.130 3.725 1.00 19.04 H new ATOM 0 HZ2 TRP A 108 1.203 -21.455 3.759 1.00 17.95 H new ATOM 0 HZ3 TRP A 108 3.121 -24.800 4.826 1.00 18.67 H new ATOM 0 HH2 TRP A 108 3.000 -22.500 4.746 1.00 17.54 H new ATOM 839 N VAL A 109 -4.139 -28.481 2.921 1.00 22.92 N ATOM 840 CA VAL A 109 -4.871 -29.702 2.497 1.00 23.22 C ATOM 841 C VAL A 109 -4.697 -30.032 0.980 1.00 22.16 C ATOM 842 O VAL A 109 -4.533 -31.194 0.610 1.00 24.53 O ATOM 843 CB VAL A 109 -6.362 -29.623 2.936 1.00 27.47 C ATOM 844 CG1 VAL A 109 -7.197 -30.715 2.333 1.00 27.59 C ATOM 845 CG2 VAL A 109 -6.446 -29.752 4.484 1.00 30.26 C ATOM 0 H VAL A 109 -4.621 -27.888 3.316 1.00 22.92 H new ATOM 0 HA VAL A 109 -4.468 -30.455 2.957 1.00 23.22 H new ATOM 0 HB VAL A 109 -6.706 -28.770 2.628 1.00 27.47 H new ATOM 0 HG11 VAL A 109 -8.115 -30.625 2.634 1.00 27.59 H new ATOM 0 HG12 VAL A 109 -7.167 -30.649 1.366 1.00 27.59 H new ATOM 0 HG13 VAL A 109 -6.850 -31.578 2.609 1.00 27.59 H new ATOM 0 HG21 VAL A 109 -7.374 -29.703 4.763 1.00 30.26 H new ATOM 0 HG22 VAL A 109 -6.070 -30.603 4.759 1.00 30.26 H new ATOM 0 HG23 VAL A 109 -5.946 -29.030 4.897 1.00 30.26 H new ATOM 846 N ALA A 110 -4.673 -29.034 0.132 1.00 20.54 N ATOM 847 CA ALA A 110 -4.482 -29.251 -1.296 1.00 21.51 C ATOM 848 C ALA A 110 -3.088 -29.740 -1.649 1.00 22.31 C ATOM 849 O ALA A 110 -2.930 -30.529 -2.581 1.00 22.24 O ATOM 850 CB ALA A 110 -4.773 -27.993 -2.069 1.00 23.25 C ATOM 0 H ALA A 110 -4.766 -28.209 0.357 1.00 20.54 H new ATOM 0 HA ALA A 110 -5.108 -29.950 -1.543 1.00 21.51 H new ATOM 0 HB1 ALA A 110 -4.641 -28.157 -3.016 1.00 23.25 H new ATOM 0 HB2 ALA A 110 -5.691 -27.723 -1.913 1.00 23.25 H new ATOM 0 HB3 ALA A 110 -4.175 -27.288 -1.777 1.00 23.25 H new ATOM 851 N TRP A 111 -2.087 -29.285 -0.892 1.00 22.64 N ATOM 852 CA TRP A 111 -0.708 -29.826 -1.062 1.00 20.89 C ATOM 853 C TRP A 111 -0.739 -31.313 -0.731 1.00 19.31 C ATOM 854 O TRP A 111 -0.271 -32.146 -1.539 1.00 19.40 O ATOM 855 CB TRP A 111 0.344 -29.107 -0.228 1.00 20.54 C ATOM 856 CG TRP A 111 1.708 -29.755 -0.343 1.00 18.58 C ATOM 857 CD1 TRP A 111 2.632 -29.552 -1.340 1.00 17.99 C ATOM 858 CD2 TRP A 111 2.256 -30.759 0.495 1.00 18.35 C ATOM 859 NE1 TRP A 111 3.685 -30.374 -1.157 1.00 17.26 N ATOM 860 CE2 TRP A 111 3.525 -31.066 -0.002 1.00 16.79 C ATOM 861 CE3 TRP A 111 1.814 -31.410 1.655 1.00 17.91 C ATOM 862 CZ2 TRP A 111 4.349 -32.040 0.593 1.00 19.16 C ATOM 863 CZ3 TRP A 111 2.629 -32.290 2.261 1.00 17.83 C ATOM 864 CH2 TRP A 111 3.885 -32.631 1.731 1.00 17.78 C ATOM 0 H TRP A 111 -2.168 -28.680 -0.287 1.00 22.64 H new ATOM 0 HA TRP A 111 -0.441 -29.678 -1.983 1.00 20.89 H new ATOM 0 HB2 TRP A 111 0.403 -28.182 -0.513 1.00 20.54 H new ATOM 0 HB3 TRP A 111 0.068 -29.101 0.702 1.00 20.54 H new ATOM 0 HD1 TRP A 111 2.544 -28.941 -2.035 1.00 17.99 H new ATOM 0 HE1 TRP A 111 4.355 -30.448 -1.691 1.00 17.26 H new ATOM 0 HE3 TRP A 111 0.968 -31.235 2.000 1.00 17.91 H new ATOM 0 HZ2 TRP A 111 5.172 -32.270 0.227 1.00 19.16 H new ATOM 0 HZ3 TRP A 111 2.353 -32.686 3.056 1.00 17.83 H new ATOM 0 HH2 TRP A 111 4.407 -33.269 2.162 1.00 17.78 H new ATOM 865 N ARG A 112 -1.303 -31.661 0.418 1.00 18.69 N ATOM 866 CA ARG A 112 -1.390 -33.056 0.802 1.00 21.76 C ATOM 867 C ARG A 112 -2.124 -33.903 -0.245 1.00 21.03 C ATOM 868 O ARG A 112 -1.640 -34.962 -0.649 1.00 23.09 O ATOM 869 CB ARG A 112 -2.073 -33.217 2.159 1.00 26.79 C ATOM 870 CG ARG A 112 -1.933 -34.591 2.696 1.00 35.95 C ATOM 871 CD ARG A 112 -2.497 -34.675 4.118 1.00 44.27 C ATOM 872 NE ARG A 112 -3.940 -34.638 4.034 1.00 56.09 N ATOM 873 CZ ARG A 112 -4.703 -35.658 3.622 1.00 57.53 C ATOM 874 NH1 ARG A 112 -5.998 -35.480 3.572 1.00 62.16 N ATOM 875 NH2 ARG A 112 -4.186 -36.848 3.278 1.00 62.35 N ATOM 0 H ARG A 112 -1.638 -31.107 0.984 1.00 18.69 H new ATOM 0 HA ARG A 112 -0.477 -33.377 0.865 1.00 21.76 H new ATOM 0 HB2 ARG A 112 -1.692 -32.585 2.788 1.00 26.79 H new ATOM 0 HB3 ARG A 112 -3.014 -32.999 2.073 1.00 26.79 H new ATOM 0 HG2 ARG A 112 -2.399 -35.217 2.120 1.00 35.95 H new ATOM 0 HG3 ARG A 112 -0.998 -34.849 2.698 1.00 35.95 H new ATOM 0 HD2 ARG A 112 -2.204 -35.492 4.550 1.00 44.27 H new ATOM 0 HD3 ARG A 112 -2.170 -33.937 4.656 1.00 44.27 H new ATOM 0 HE ARG A 112 -4.336 -33.910 4.265 1.00 56.09 H new ATOM 0 HH11 ARG A 112 -6.337 -34.723 3.800 1.00 62.16 H new ATOM 0 HH12 ARG A 112 -6.510 -36.120 3.311 1.00 62.16 H new ATOM 0 HH21 ARG A 112 -3.336 -36.976 3.318 1.00 62.35 H new ATOM 0 HH22 ARG A 112 -4.704 -37.483 3.017 1.00 62.35 H new ATOM 876 N ASN A 113 -3.251 -33.430 -0.724 1.00 21.41 N ATOM 877 CA ASN A 113 -4.053 -34.224 -1.653 1.00 22.37 C ATOM 878 C ASN A 113 -3.666 -34.141 -3.144 1.00 24.15 C ATOM 879 O ASN A 113 -4.006 -35.036 -3.892 1.00 23.10 O ATOM 880 CB ASN A 113 -5.515 -33.785 -1.489 1.00 21.27 C ATOM 881 CG ASN A 113 -6.090 -34.206 -0.155 1.00 21.95 C ATOM 882 OD1 ASN A 113 -5.646 -35.229 0.430 1.00 24.08 O ATOM 883 ND2 ASN A 113 -7.097 -33.480 0.325 1.00 20.72 N ATOM 0 H ASN A 113 -3.577 -32.658 -0.532 1.00 21.41 H new ATOM 0 HA ASN A 113 -3.893 -35.151 -1.418 1.00 22.37 H new ATOM 0 HB2 ASN A 113 -5.573 -32.821 -1.575 1.00 21.27 H new ATOM 0 HB3 ASN A 113 -6.048 -34.166 -2.204 1.00 21.27 H new ATOM 0 HD21 ASN A 113 -7.473 -33.703 1.065 1.00 20.72 H new ATOM 0 HD22 ASN A 113 -7.371 -32.788 -0.105 1.00 20.72 H new ATOM 884 N ARG A 114 -2.980 -33.076 -3.566 1.00 22.13 N ATOM 885 CA ARG A 114 -2.651 -32.896 -4.978 1.00 23.10 C ATOM 886 C ARG A 114 -1.172 -32.817 -5.377 1.00 24.22 C ATOM 887 O ARG A 114 -0.839 -32.925 -6.586 1.00 24.10 O ATOM 888 CB ARG A 114 -3.433 -31.687 -5.435 1.00 26.03 C ATOM 889 CG ARG A 114 -4.892 -31.897 -5.012 1.00 27.66 C ATOM 890 CD ARG A 114 -5.816 -31.008 -5.670 1.00 26.46 C ATOM 891 NE ARG A 114 -5.927 -31.119 -7.115 1.00 24.91 N ATOM 892 CZ ARG A 114 -6.644 -30.253 -7.814 1.00 22.95 C ATOM 893 NH1 ARG A 114 -7.295 -29.290 -7.185 1.00 24.08 N ATOM 894 NH2 ARG A 114 -6.756 -30.351 -9.112 1.00 23.56 N ATOM 0 H ARG A 114 -2.697 -32.449 -3.050 1.00 22.13 H new ATOM 0 HA ARG A 114 -2.900 -33.716 -5.432 1.00 23.10 H new ATOM 0 HB2 ARG A 114 -3.075 -30.878 -5.037 1.00 26.03 H new ATOM 0 HB3 ARG A 114 -3.368 -31.582 -6.397 1.00 26.03 H new ATOM 0 HG2 ARG A 114 -5.147 -32.814 -5.200 1.00 27.66 H new ATOM 0 HG3 ARG A 114 -4.964 -31.774 -4.053 1.00 27.66 H new ATOM 0 HD2 ARG A 114 -6.696 -31.153 -5.289 1.00 26.46 H new ATOM 0 HD3 ARG A 114 -5.561 -30.097 -5.457 1.00 26.46 H new ATOM 0 HE ARG A 114 -5.520 -31.758 -7.523 1.00 24.91 H new ATOM 0 HH11 ARG A 114 -7.251 -29.230 -6.328 1.00 24.08 H new ATOM 0 HH12 ARG A 114 -7.763 -28.724 -7.632 1.00 24.08 H new ATOM 0 HH21 ARG A 114 -6.359 -30.989 -9.531 1.00 23.56 H new ATOM 0 HH22 ARG A 114 -7.227 -29.778 -9.547 1.00 23.56 H new ATOM 895 N CYS A 115 -0.302 -32.654 -4.384 1.00 20.39 N ATOM 896 CA CYS A 115 1.117 -32.410 -4.598 1.00 21.19 C ATOM 897 C CYS A 115 2.003 -33.443 -3.920 1.00 19.27 C ATOM 898 O CYS A 115 2.931 -33.976 -4.534 1.00 18.80 O ATOM 899 CB CYS A 115 1.514 -30.993 -4.097 1.00 19.10 C ATOM 900 SG CYS A 115 0.600 -29.654 -4.899 1.00 19.75 S ATOM 0 H CYS A 115 -0.526 -32.683 -3.554 1.00 20.39 H new ATOM 0 HA CYS A 115 1.260 -32.477 -5.555 1.00 21.19 H new ATOM 0 HB2 CYS A 115 1.368 -30.945 -3.139 1.00 19.10 H new ATOM 0 HB3 CYS A 115 2.463 -30.860 -4.246 1.00 19.10 H new ATOM 901 N LYS A 116 1.764 -33.660 -2.638 1.00 21.51 N ATOM 902 CA LYS A 116 2.460 -34.725 -1.873 1.00 21.53 C ATOM 903 C LYS A 116 2.539 -36.068 -2.652 1.00 22.89 C ATOM 904 O LYS A 116 1.536 -36.537 -3.182 1.00 23.69 O ATOM 905 CB LYS A 116 1.834 -34.900 -0.518 1.00 21.10 C ATOM 906 CG LYS A 116 2.670 -35.731 0.463 1.00 21.97 C ATOM 907 CD LYS A 116 1.895 -36.003 1.726 1.00 21.55 C ATOM 908 CE LYS A 116 2.713 -36.505 2.913 1.00 22.01 C ATOM 909 NZ LYS A 116 1.838 -36.489 4.135 1.00 22.96 N ATOM 0 H LYS A 116 1.200 -33.205 -2.175 1.00 21.51 H new ATOM 0 HA LYS A 116 3.377 -34.436 -1.747 1.00 21.53 H new ATOM 0 HB2 LYS A 116 1.677 -34.025 -0.131 1.00 21.10 H new ATOM 0 HB3 LYS A 116 0.968 -35.322 -0.626 1.00 21.10 H new ATOM 0 HG2 LYS A 116 2.925 -36.570 0.048 1.00 21.97 H new ATOM 0 HG3 LYS A 116 3.490 -35.259 0.677 1.00 21.97 H new ATOM 0 HD2 LYS A 116 1.442 -35.187 1.989 1.00 21.55 H new ATOM 0 HD3 LYS A 116 1.207 -36.658 1.529 1.00 21.55 H new ATOM 0 HE2 LYS A 116 3.038 -37.403 2.743 1.00 22.01 H new ATOM 0 HE3 LYS A 116 3.491 -35.942 3.048 1.00 22.01 H new ATOM 0 HZ1 LYS A 116 2.298 -36.793 4.834 1.00 22.96 H new ATOM 0 HZ2 LYS A 116 1.569 -35.656 4.297 1.00 22.96 H new ATOM 0 HZ3 LYS A 116 1.128 -37.008 3.999 1.00 22.96 H new ATOM 910 N GLY A 117 3.752 -36.613 -2.759 1.00 24.93 N ATOM 911 CA GLY A 117 3.986 -37.865 -3.491 1.00 27.25 C ATOM 912 C GLY A 117 3.952 -37.772 -5.018 1.00 29.56 C ATOM 913 O GLY A 117 3.949 -38.818 -5.699 1.00 31.04 O ATOM 0 H GLY A 117 4.461 -36.271 -2.412 1.00 24.93 H new ATOM 0 HA2 GLY A 117 4.851 -38.216 -3.226 1.00 27.25 H new ATOM 0 HA3 GLY A 117 3.320 -38.511 -3.210 1.00 27.25 H new ATOM 914 N THR A 118 3.973 -36.558 -5.579 1.00 25.94 N ATOM 915 CA THR A 118 3.885 -36.376 -7.026 1.00 25.35 C ATOM 916 C THR A 118 5.197 -35.845 -7.485 1.00 25.70 C ATOM 917 O THR A 118 6.048 -35.479 -6.675 1.00 24.79 O ATOM 918 CB THR A 118 2.742 -35.432 -7.458 1.00 25.69 C ATOM 919 OG1 THR A 118 3.025 -34.056 -7.114 1.00 21.28 O ATOM 920 CG2 THR A 118 1.419 -35.869 -6.864 1.00 25.78 C ATOM 0 H THR A 118 4.038 -35.825 -5.133 1.00 25.94 H new ATOM 0 HA THR A 118 3.680 -37.232 -7.434 1.00 25.35 H new ATOM 0 HB THR A 118 2.676 -35.487 -8.424 1.00 25.69 H new ATOM 0 HG1 THR A 118 3.156 -33.995 -6.287 1.00 21.28 H new ATOM 0 HG21 THR A 118 0.719 -35.261 -7.150 1.00 25.78 H new ATOM 0 HG22 THR A 118 1.210 -36.767 -7.165 1.00 25.78 H new ATOM 0 HG23 THR A 118 1.480 -35.859 -5.896 1.00 25.78 H new ATOM 921 N ASP A 119 5.351 -35.759 -8.801 1.00 27.99 N ATOM 922 CA ASP A 119 6.569 -35.211 -9.363 1.00 28.66 C ATOM 923 C ASP A 119 6.494 -33.669 -9.347 1.00 28.69 C ATOM 924 O ASP A 119 6.291 -33.004 -10.402 1.00 27.00 O ATOM 925 CB ASP A 119 6.801 -35.758 -10.768 1.00 31.72 C ATOM 926 CG ASP A 119 8.063 -35.166 -11.411 1.00 38.37 C ATOM 927 OD1 ASP A 119 8.995 -34.795 -10.665 1.00 40.50 O ATOM 928 OD2 ASP A 119 8.087 -35.037 -12.644 1.00 41.19 O ATOM 0 H ASP A 119 4.766 -36.011 -9.378 1.00 27.99 H new ATOM 0 HA ASP A 119 7.329 -35.481 -8.824 1.00 28.66 H new ATOM 0 HB2 ASP A 119 6.881 -36.724 -10.730 1.00 31.72 H new ATOM 0 HB3 ASP A 119 6.031 -35.559 -11.324 1.00 31.72 H new ATOM 929 N VAL A 120 6.664 -33.094 -8.149 1.00 26.38 N ATOM 930 CA VAL A 120 6.504 -31.634 -7.995 1.00 24.68 C ATOM 931 C VAL A 120 7.522 -30.776 -8.747 1.00 25.83 C ATOM 932 O VAL A 120 7.268 -29.614 -9.033 1.00 23.16 O ATOM 933 CB VAL A 120 6.494 -31.184 -6.548 1.00 22.67 C ATOM 934 CG1 VAL A 120 5.240 -31.751 -5.855 1.00 21.31 C ATOM 935 CG2 VAL A 120 7.766 -31.576 -5.858 1.00 23.88 C ATOM 0 H VAL A 120 6.867 -33.516 -7.428 1.00 26.38 H new ATOM 0 HA VAL A 120 5.636 -31.486 -8.401 1.00 24.68 H new ATOM 0 HB VAL A 120 6.451 -30.216 -6.501 1.00 22.67 H new ATOM 0 HG11 VAL A 120 5.226 -31.467 -4.928 1.00 21.31 H new ATOM 0 HG12 VAL A 120 4.445 -31.423 -6.305 1.00 21.31 H new ATOM 0 HG13 VAL A 120 5.258 -32.720 -5.896 1.00 21.31 H new ATOM 0 HG21 VAL A 120 7.739 -31.279 -4.935 1.00 23.88 H new ATOM 0 HG22 VAL A 120 7.864 -32.541 -5.884 1.00 23.88 H new ATOM 0 HG23 VAL A 120 8.519 -31.162 -6.308 1.00 23.88 H new ATOM 936 N GLN A 121 8.686 -31.344 -9.010 1.00 27.45 N ATOM 937 CA GLN A 121 9.715 -30.680 -9.811 1.00 31.12 C ATOM 938 C GLN A 121 9.210 -30.206 -11.164 1.00 24.94 C ATOM 939 O GLN A 121 9.727 -29.227 -11.730 1.00 24.09 O ATOM 940 CB GLN A 121 10.985 -31.590 -9.923 1.00 38.32 C ATOM 941 CG GLN A 121 11.587 -31.788 -11.321 1.00 52.83 C ATOM 942 CD GLN A 121 12.334 -30.572 -11.874 1.00 64.93 C ATOM 943 OE1 GLN A 121 13.094 -29.905 -11.161 1.00 79.65 O ATOM 944 NE2 GLN A 121 12.120 -30.281 -13.155 1.00 73.26 N ATOM 0 H GLN A 121 8.908 -32.127 -8.731 1.00 27.45 H new ATOM 0 HA GLN A 121 9.968 -29.867 -9.345 1.00 31.12 H new ATOM 0 HB2 GLN A 121 11.673 -31.217 -9.350 1.00 38.32 H new ATOM 0 HB3 GLN A 121 10.761 -32.464 -9.566 1.00 38.32 H new ATOM 0 HG2 GLN A 121 12.197 -32.542 -11.293 1.00 52.83 H new ATOM 0 HG3 GLN A 121 10.875 -32.022 -11.936 1.00 52.83 H new ATOM 0 HE21 GLN A 121 11.585 -30.766 -13.623 1.00 73.26 H new ATOM 0 HE22 GLN A 121 12.517 -29.608 -13.515 1.00 73.26 H new ATOM 945 N ALA A 122 8.220 -30.906 -11.703 1.00 23.42 N ATOM 946 CA ALA A 122 7.627 -30.551 -12.956 1.00 24.35 C ATOM 947 C ALA A 122 7.121 -29.096 -12.933 1.00 24.93 C ATOM 948 O ALA A 122 7.146 -28.405 -13.954 1.00 22.71 O ATOM 949 CB ALA A 122 6.497 -31.503 -13.338 1.00 28.18 C ATOM 0 H ALA A 122 7.878 -31.606 -11.338 1.00 23.42 H new ATOM 0 HA ALA A 122 8.318 -30.628 -13.632 1.00 24.35 H new ATOM 0 HB1 ALA A 122 6.120 -31.233 -14.190 1.00 28.18 H new ATOM 0 HB2 ALA A 122 6.845 -32.406 -13.411 1.00 28.18 H new ATOM 0 HB3 ALA A 122 5.807 -31.477 -12.657 1.00 28.18 H new ATOM 950 N TRP A 123 6.709 -28.616 -11.767 1.00 23.84 N ATOM 951 CA TRP A 123 6.202 -27.240 -11.651 1.00 24.58 C ATOM 952 C TRP A 123 7.241 -26.123 -11.852 1.00 24.85 C ATOM 953 O TRP A 123 6.877 -24.975 -12.163 1.00 26.69 O ATOM 954 CB TRP A 123 5.495 -27.069 -10.282 1.00 24.04 C ATOM 955 CG TRP A 123 4.193 -27.837 -10.273 1.00 23.13 C ATOM 956 CD1 TRP A 123 3.960 -29.044 -9.699 1.00 23.24 C ATOM 957 CD2 TRP A 123 2.981 -27.478 -10.949 1.00 23.01 C ATOM 958 NE1 TRP A 123 2.685 -29.441 -9.930 1.00 22.02 N ATOM 959 CE2 TRP A 123 2.063 -28.525 -10.732 1.00 23.42 C ATOM 960 CE3 TRP A 123 2.590 -26.383 -11.727 1.00 26.59 C ATOM 961 CZ2 TRP A 123 0.766 -28.501 -11.246 1.00 24.51 C ATOM 962 CZ3 TRP A 123 1.300 -26.360 -12.267 1.00 25.55 C ATOM 963 CH2 TRP A 123 0.400 -27.412 -12.005 1.00 24.37 C ATOM 0 H TRP A 123 6.712 -29.062 -11.031 1.00 23.84 H new ATOM 0 HA TRP A 123 5.583 -27.131 -12.390 1.00 24.58 H new ATOM 0 HB2 TRP A 123 6.072 -27.387 -9.570 1.00 24.04 H new ATOM 0 HB3 TRP A 123 5.326 -26.129 -10.112 1.00 24.04 H new ATOM 0 HD1 TRP A 123 4.587 -29.531 -9.215 1.00 23.24 H new ATOM 0 HE1 TRP A 123 2.324 -30.157 -9.620 1.00 22.02 H new ATOM 0 HE3 TRP A 123 3.179 -25.681 -11.883 1.00 26.59 H new ATOM 0 HZ2 TRP A 123 0.170 -29.196 -11.082 1.00 24.51 H new ATOM 0 HZ3 TRP A 123 1.035 -25.647 -12.802 1.00 25.55 H new ATOM 0 HH2 TRP A 123 -0.461 -27.370 -12.353 1.00 24.37 H new ATOM 964 N ILE A 124 8.524 -26.449 -11.677 1.00 24.59 N ATOM 965 CA ILE A 124 9.598 -25.509 -11.972 1.00 25.84 C ATOM 966 C ILE A 124 10.387 -25.824 -13.244 1.00 29.01 C ATOM 967 O ILE A 124 11.318 -25.078 -13.615 1.00 27.21 O ATOM 968 CB ILE A 124 10.487 -25.322 -10.728 1.00 26.69 C ATOM 969 CG1 ILE A 124 11.215 -26.599 -10.336 1.00 27.07 C ATOM 970 CG2 ILE A 124 9.571 -24.851 -9.580 1.00 25.88 C ATOM 971 CD1 ILE A 124 12.331 -26.319 -9.352 1.00 31.27 C ATOM 0 H ILE A 124 8.790 -27.214 -11.387 1.00 24.59 H new ATOM 0 HA ILE A 124 9.182 -24.658 -12.180 1.00 25.84 H new ATOM 0 HB ILE A 124 11.177 -24.669 -10.922 1.00 26.69 H new ATOM 0 HG12 ILE A 124 10.586 -27.225 -9.944 1.00 27.07 H new ATOM 0 HG13 ILE A 124 11.579 -27.022 -11.129 1.00 27.07 H new ATOM 0 HG21 ILE A 124 10.099 -24.722 -8.777 1.00 25.88 H new ATOM 0 HG22 ILE A 124 9.148 -24.013 -9.826 1.00 25.88 H new ATOM 0 HG23 ILE A 124 8.889 -25.521 -9.414 1.00 25.88 H new ATOM 0 HD11 ILE A 124 12.775 -27.150 -9.121 1.00 31.27 H new ATOM 0 HD12 ILE A 124 12.971 -25.711 -9.753 1.00 31.27 H new ATOM 0 HD13 ILE A 124 11.962 -25.917 -8.550 1.00 31.27 H new ATOM 972 N ARG A 125 9.951 -26.860 -13.937 1.00 28.46 N ATOM 973 CA ARG A 125 10.627 -27.382 -15.151 1.00 35.89 C ATOM 974 C ARG A 125 10.646 -26.282 -16.176 1.00 31.47 C ATOM 975 O ARG A 125 9.608 -25.690 -16.479 1.00 33.03 O ATOM 976 CB ARG A 125 9.888 -28.631 -15.669 1.00 37.74 C ATOM 977 CG ARG A 125 10.601 -29.456 -16.732 1.00 48.23 C ATOM 978 CD ARG A 125 10.050 -30.896 -16.845 1.00 49.26 C ATOM 979 NE ARG A 125 10.422 -31.707 -15.667 1.00 50.14 N ATOM 980 CZ ARG A 125 9.674 -32.687 -15.134 1.00 54.78 C ATOM 981 NH1 ARG A 125 10.092 -33.324 -14.029 1.00 46.92 N ATOM 982 NH2 ARG A 125 8.499 -33.040 -15.682 1.00 60.32 N ATOM 0 H ARG A 125 9.242 -27.299 -13.725 1.00 28.46 H new ATOM 0 HA ARG A 125 11.538 -27.651 -14.954 1.00 35.89 H new ATOM 0 HB2 ARG A 125 9.702 -29.208 -14.912 1.00 37.74 H new ATOM 0 HB3 ARG A 125 9.032 -28.349 -16.028 1.00 37.74 H new ATOM 0 HG2 ARG A 125 10.514 -29.013 -17.591 1.00 48.23 H new ATOM 0 HG3 ARG A 125 11.548 -29.492 -16.526 1.00 48.23 H new ATOM 0 HD2 ARG A 125 9.084 -30.869 -16.930 1.00 49.26 H new ATOM 0 HD3 ARG A 125 10.394 -31.314 -17.650 1.00 49.26 H new ATOM 0 HE ARG A 125 11.178 -31.538 -15.293 1.00 50.14 H new ATOM 0 HH11 ARG A 125 10.838 -33.105 -13.663 1.00 46.92 H new ATOM 0 HH12 ARG A 125 9.613 -33.952 -13.687 1.00 46.92 H new ATOM 0 HH21 ARG A 125 8.214 -32.636 -16.386 1.00 60.32 H new ATOM 0 HH22 ARG A 125 8.032 -33.670 -15.329 1.00 60.32 H new ATOM 983 N GLY A 126 11.841 -25.916 -16.639 1.00 34.40 N ATOM 984 CA GLY A 126 11.967 -24.921 -17.720 1.00 29.91 C ATOM 985 C GLY A 126 12.169 -23.522 -17.226 1.00 33.33 C ATOM 986 O GLY A 126 12.398 -22.582 -18.029 1.00 33.66 O ATOM 0 H GLY A 126 12.588 -26.226 -16.347 1.00 34.40 H new ATOM 0 HA2 GLY A 126 12.713 -25.166 -18.289 1.00 29.91 H new ATOM 0 HA3 GLY A 126 11.169 -24.950 -18.270 1.00 29.91 H new ATOM 987 N CYS A 127 12.075 -23.328 -15.911 1.00 30.36 N ATOM 988 CA CYS A 127 12.147 -21.974 -15.375 1.00 30.95 C ATOM 989 C CYS A 127 13.595 -21.545 -15.167 1.00 34.08 C ATOM 990 O CYS A 127 14.420 -22.317 -14.696 1.00 36.18 O ATOM 991 CB CYS A 127 11.408 -21.882 -14.041 1.00 30.97 C ATOM 992 SG CYS A 127 9.685 -22.420 -14.137 1.00 28.39 S ATOM 0 H CYS A 127 11.972 -23.951 -15.327 1.00 30.36 H new ATOM 0 HA CYS A 127 11.728 -21.384 -16.021 1.00 30.95 H new ATOM 0 HB2 CYS A 127 11.873 -22.423 -13.383 1.00 30.97 H new ATOM 0 HB3 CYS A 127 11.437 -20.965 -13.725 1.00 30.97 H new ATOM 993 N ARG A 128 13.860 -20.285 -15.439 1.00 33.88 N ATOM 994 CA ARG A 128 15.160 -19.697 -15.164 1.00 39.84 C ATOM 995 C ARG A 128 15.185 -19.220 -13.731 1.00 37.21 C ATOM 996 O ARG A 128 14.526 -18.230 -13.389 1.00 40.30 O ATOM 997 CB ARG A 128 15.374 -18.561 -16.158 1.00 47.55 C ATOM 998 CG ARG A 128 16.743 -17.913 -16.123 1.00 56.76 C ATOM 999 CD ARG A 128 16.778 -16.782 -17.139 1.00 59.22 C ATOM 1000 NE ARG A 128 16.544 -17.255 -18.508 1.00 61.51 N ATOM 1001 CZ ARG A 128 15.650 -16.783 -19.392 1.00 63.21 C ATOM 1002 NH1 ARG A 128 14.822 -15.766 -19.126 1.00 60.03 N ATOM 1003 NH2 ARG A 128 15.595 -17.346 -20.597 1.00 66.28 N ATOM 0 H ARG A 128 13.293 -19.741 -15.789 1.00 33.88 H new ATOM 0 HA ARG A 128 15.881 -20.338 -15.269 1.00 39.84 H new ATOM 0 HB2 ARG A 128 15.217 -18.901 -17.053 1.00 47.55 H new ATOM 0 HB3 ARG A 128 14.706 -17.878 -15.993 1.00 47.55 H new ATOM 0 HG2 ARG A 128 16.930 -17.572 -15.234 1.00 56.76 H new ATOM 0 HG3 ARG A 128 17.429 -18.568 -16.326 1.00 56.76 H new ATOM 0 HD2 ARG A 128 16.106 -16.122 -16.908 1.00 59.22 H new ATOM 0 HD3 ARG A 128 17.639 -16.338 -17.095 1.00 59.22 H new ATOM 0 HE ARG A 128 17.035 -17.909 -18.775 1.00 61.51 H new ATOM 0 HH11 ARG A 128 14.847 -15.381 -18.357 1.00 60.03 H new ATOM 0 HH12 ARG A 128 14.265 -15.497 -19.724 1.00 60.03 H new ATOM 0 HH21 ARG A 128 16.124 -17.995 -20.793 1.00 66.28 H new ATOM 0 HH22 ARG A 128 15.030 -17.061 -21.180 1.00 66.28 H new ATOM 1004 N LEU A 129 15.913 -19.939 -12.882 1.00 37.49 N ATOM 1005 CA LEU A 129 15.961 -19.687 -11.424 1.00 40.02 C ATOM 1006 C LEU A 129 17.420 -19.457 -10.917 1.00 45.30 C ATOM 1007 O LEU A 129 18.370 -19.604 -11.694 1.00 46.68 O ATOM 1008 CB LEU A 129 15.295 -20.893 -10.678 1.00 38.24 C ATOM 1009 CG LEU A 129 13.842 -21.194 -11.141 1.00 40.28 C ATOM 1010 CD1 LEU A 129 13.345 -22.543 -10.638 1.00 42.02 C ATOM 1011 CD2 LEU A 129 12.876 -20.075 -10.739 1.00 41.22 C ATOM 1012 OXT LEU A 129 17.720 -19.163 -9.730 1.00 37.59 O ATOM 0 H LEU A 129 16.404 -20.600 -13.131 1.00 37.49 H new ATOM 0 HA LEU A 129 15.471 -18.872 -11.235 1.00 40.02 H new ATOM 0 HB2 LEU A 129 15.839 -21.685 -10.812 1.00 38.24 H new ATOM 0 HB3 LEU A 129 15.290 -20.710 -9.725 1.00 38.24 H new ATOM 0 HG LEU A 129 13.866 -21.236 -12.110 1.00 40.28 H new ATOM 0 HD11 LEU A 129 12.438 -22.690 -10.949 1.00 42.02 H new ATOM 0 HD12 LEU A 129 13.920 -23.247 -10.976 1.00 42.02 H new ATOM 0 HD13 LEU A 129 13.360 -22.552 -9.668 1.00 42.02 H new ATOM 0 HD21 LEU A 129 11.981 -20.295 -11.043 1.00 41.22 H new ATOM 0 HD22 LEU A 129 12.875 -19.979 -9.774 1.00 41.22 H new ATOM 0 HD23 LEU A 129 13.159 -19.241 -11.146 1.00 41.22 H new TER 1013 LEU A 129 HETATM 1014 C1 GOL A 201 -4.090 -23.481 3.685 1.00 55.11 C HETATM 1015 O1 GOL A 201 -5.415 -23.607 3.130 1.00 61.39 O HETATM 1016 C2 GOL A 201 -4.004 -23.468 5.199 1.00 49.69 C HETATM 1017 O2 GOL A 201 -2.645 -23.557 5.668 1.00 53.55 O HETATM 1018 C3 GOL A 201 -4.527 -22.177 5.755 1.00 42.74 C HETATM 1019 O3 GOL A 201 -3.485 -21.526 6.487 1.00 34.86 O HETATM 0 HO3 GOL A 201 -3.785 -21.261 7.226 1.00 34.86 H new HETATM 0 HO2 GOL A 201 -2.401 -22.810 5.964 1.00 53.55 H new HETATM 0 HO1 GOL A 201 -5.711 -22.845 2.935 1.00 61.39 H new HETATM 0 H32 GOL A 201 -4.839 -21.605 5.036 1.00 42.74 H new HETATM 0 H31 GOL A 201 -5.287 -22.345 6.333 1.00 42.74 H new HETATM 0 H2 GOL A 201 -4.524 -24.233 5.491 1.00 49.69 H new HETATM 0 H12 GOL A 201 -3.548 -24.215 3.354 1.00 55.11 H new HETATM 0 H11 GOL A 201 -3.694 -22.662 3.349 1.00 55.11 H new HETATM 1020 PT1 CPT A 202 11.717 -11.860 1.079 0.50 50.63 PT HETATM 1021 N1 CPT A 202 13.342 -11.172 0.056 0.50 45.38 N HETATM 1022 N2 CPT A 202 12.911 -11.824 2.890 0.50 46.12 N HETATM 1023 CL2 CPT A 202 9.947 -12.578 2.180 0.50 40.06 CL HETATM 1024 PT1 BCPT A 203 9.138 -9.895 -4.198 0.50 58.03 PT HETATM 1025 N1 BCPT A 203 8.994 -8.689 -5.854 0.50 59.13 N HETATM 1026 CL2 BCPT A 203 7.021 -10.383 -4.716 0.50 47.98 CL HETATM 1027 O HOH A 301 -7.905 -14.149 12.695 1.00 17.39 O HETATM 1028 O HOH A 302 4.131 -12.925 9.385 1.00 35.44 O HETATM 1029 O HOH A 303 -0.595 -18.056 -14.551 1.00 25.89 O HETATM 1030 O HOH A 304 -5.910 -26.527 1.186 1.00 31.34 O HETATM 1031 O HOH A 305 -0.930 -13.828 -1.917 1.00 23.22 O HETATM 1032 O HOH A 306 3.293 -8.415 0.880 1.00 26.23 O HETATM 1033 O HOH A 307 -13.797 -14.708 7.476 1.00 21.71 O HETATM 1034 O HOH A 308 7.895 -5.603 0.534 1.00 52.58 O HETATM 1035 O HOH A 309 -1.697 -33.589 -8.914 1.00 27.70 O HETATM 1036 O HOH A 310 2.420 -27.111 9.500 1.00 28.35 O HETATM 1037 O AHOH A 311 9.947 -11.073 -5.908 0.50 30.33 O HETATM 1038 O HOH A 312 -15.926 -17.914 13.130 1.00 57.02 O HETATM 1039 O HOH A 313 -10.711 -23.402 9.517 1.00 50.16 O HETATM 1040 O HOH A 314 -7.393 -26.208 -3.394 1.00 30.72 O HETATM 1041 O HOH A 315 -1.032 -36.075 -3.362 1.00 25.09 O HETATM 1042 O HOH A 316 -5.437 -10.807 -9.314 1.00 19.15 O HETATM 1043 O HOH A 317 6.367 -28.259 10.759 1.00 29.52 O HETATM 1044 O HOH A 318 -8.437 -19.286 18.460 1.00 44.47 O HETATM 1045 O HOH A 319 -13.179 -11.358 4.081 1.00 17.86 O HETATM 1046 O HOH A 320 -3.516 -4.664 3.752 1.00 50.19 O HETATM 1047 O HOH A 321 9.873 -7.674 0.903 1.00 47.96 O HETATM 1048 O HOH A 322 3.352 -12.024 6.880 1.00 39.00 O HETATM 1049 O HOH A 323 0.516 -12.036 -2.252 1.00 22.96 O HETATM 1050 O HOH A 324 -12.141 -24.965 12.315 1.00 36.13 O HETATM 1051 O HOH A 325 17.460 -21.926 -13.958 1.00 44.68 O HETATM 1052 O HOH A 326 -3.868 -7.209 -5.147 1.00 31.39 O HETATM 1053 O HOH A 327 0.302 -14.741 20.017 1.00 53.14 O HETATM 1054 O HOH A 328 -7.863 -28.179 -10.409 1.00 26.41 O HETATM 1055 O HOH A 329 5.146 -21.895 13.772 1.00 44.24 O HETATM 1056 O HOH A 330 -5.752 -26.253 3.857 1.00 31.84 O HETATM 1057 O HOH A 331 -9.043 -22.323 0.043 1.00 34.71 O HETATM 1058 O HOH A 332 14.716 -19.890 -1.898 1.00 27.18 O HETATM 1059 O HOH A 333 -1.529 -16.595 0.856 1.00 15.64 O HETATM 1060 O HOH A 334 -8.061 -17.745 -8.421 1.00 30.15 O HETATM 1061 O HOH A 335 14.296 -31.996 0.974 1.00 42.29 O HETATM 1062 O HOH A 336 7.520 -9.442 -8.127 1.00 52.96 O HETATM 1063 O HOH A 337 -3.015 -7.274 -7.731 1.00 33.39 O HETATM 1064 O HOH A 338 2.716 -32.240 -9.245 1.00 32.55 O HETATM 1065 O HOH A 339 -18.649 -9.973 6.136 1.00 26.95 O HETATM 1066 O HOH A 340 1.813 -11.627 -13.995 1.00 44.35 O HETATM 1067 O HOH A 341 -0.352 -27.097 11.054 1.00 64.34 O HETATM 1068 O HOH A 342 -9.711 -12.710 11.823 1.00 18.93 O HETATM 1069 O HOH A 343 10.629 -31.531 5.071 1.00 21.39 O HETATM 1070 O HOH A 344 -12.813 -12.813 18.488 0.50 37.19 O HETATM 1071 O HOH A 345 10.355 -9.660 5.297 1.00 46.66 O HETATM 1072 O HOH A 346 11.716 -17.788 -13.765 1.00 38.24 O HETATM 1073 O HOH A 347 -4.852 -37.987 0.450 1.00 54.77 O HETATM 1074 O HOH A 348 -9.446 -24.378 3.936 1.00 56.01 O HETATM 1075 O HOH A 349 -14.507 -14.507 0.000 0.50 35.77 O HETATM 1076 O HOH A 350 7.338 -10.560 -10.592 1.00 43.38 O HETATM 1077 O HOH A 351 1.292 -11.140 0.252 1.00 18.64 O HETATM 1078 O HOH A 352 6.449 -33.751 -2.247 1.00 41.40 O HETATM 1079 O HOH A 353 14.655 -24.081 6.653 1.00 34.44 O HETATM 1080 O HOH A 354 -9.170 -20.678 -5.121 1.00 38.76 O HETATM 1081 O HOH A 355 8.321 -28.540 9.423 1.00 52.07 O HETATM 1082 O HOH A 356 11.096 -29.123 -6.862 1.00 12.75 O HETATM 1083 O HOH A 357 -2.697 -19.382 -13.600 1.00 28.14 O HETATM 1084 O HOH A 358 -10.479 -8.549 15.255 1.00 38.86 O HETATM 1085 O HOH A 359 -7.653 -12.142 14.184 1.00 31.42 O HETATM 1086 O HOH A 360 -14.482 -25.535 5.005 1.00 41.01 O HETATM 1087 O HOH A 361 3.566 -37.302 -10.596 1.00 32.46 O HETATM 1088 O HOH A 362 14.016 -30.838 -15.368 1.00 59.16 O HETATM 1089 O HOH A 363 -0.233 -38.473 3.351 1.00 36.57 O HETATM 1090 O HOH A 364 14.818 -26.316 9.926 1.00 58.49 O HETATM 1091 O HOH A 365 -16.185 -18.890 -0.820 1.00 38.69 O HETATM 1092 O HOH A 366 -4.343 -33.002 -8.799 1.00 24.83 O HETATM 1093 O HOH A 367 6.226 -16.864 -15.898 1.00 27.38 O HETATM 1094 O HOH A 368 -3.824 -5.925 -0.598 1.00 38.26 O HETATM 1095 O HOH A 369 8.288 -31.563 7.476 1.00 7.58 O HETATM 1096 O HOH A 370 -3.228 -13.736 18.015 1.00 31.10 O HETATM 1097 O HOH A 371 9.738 -32.915 -3.143 1.00 34.71 O HETATM 1098 O HOH A 372 -0.270 -37.654 5.953 1.00 54.26 O HETATM 1099 O HOH A 373 -10.246 -5.720 12.199 1.00 17.12 O HETATM 1100 O HOH A 374 9.767 -34.061 -7.836 1.00 35.30 O HETATM 1101 O HOH A 375 9.082 -12.834 -10.372 1.00 36.95 O HETATM 1102 O HOH A 376 17.221 -25.769 3.859 1.00 56.50 O HETATM 1103 O HOH A 377 11.815 -18.465 -16.774 1.00 32.21 O HETATM 1104 O AHOH A 378 5.863 -10.359 -5.631 0.50 24.63 O HETATM 1105 O HOH A 379 8.729 -15.779 8.984 1.00 56.79 O HETATM 1106 O HOH A 380 14.017 -17.247 5.755 1.00 43.92 O HETATM 1107 O HOH A 381 -4.124 -7.780 -10.452 1.00 48.39 O HETATM 1108 O HOH A 382 5.963 -19.800 -16.881 1.00 33.86 O HETATM 1109 O HOH A 383 -5.016 -8.906 15.627 1.00 40.03 O HETATM 1110 O HOH A 384 -11.676 -11.619 13.848 1.00 11.62 O HETATM 1111 O HOH A 385 -2.814 -7.163 12.016 1.00 37.26 O HETATM 1112 O HOH A 386 -2.217 -9.991 -13.332 1.00 26.99 O HETATM 1113 O HOH A 387 -1.293 -4.929 -4.493 1.00 31.27 O HETATM 1114 O HOH A 388 6.970 -35.672 -3.657 1.00 42.90 O HETATM 1115 O HOH A 389 -16.994 -7.592 11.078 1.00 46.30 O HETATM 1116 O HOH A 390 -9.092 -23.190 -2.670 1.00 51.32 O HETATM 1117 O HOH A 391 -5.401 -6.059 11.292 1.00 23.17 O HETATM 1118 O HOH A 392 14.135 -27.012 -6.598 1.00 47.54 O HETATM 1119 O HOH A 393 3.516 -39.222 -0.750 1.00 42.66 O HETATM 1120 O HOH A 394 2.083 -19.657 -16.858 1.00 44.08 O HETATM 1121 O HOH A 395 -6.027 -21.726 -15.733 1.00 36.31 O HETATM 1122 O HOH A 396 -7.685 -24.031 5.544 1.00 47.10 O HETATM 1123 O HOH A 397 -2.524 -38.267 -0.935 1.00 55.25 O HETATM 1124 O HOH A 398 14.854 -25.495 -13.471 1.00 52.96 O HETATM 1125 O HOH A 399 -14.591 -11.439 15.260 1.00 36.92 O HETATM 1126 O HOH A 400 3.537 -22.594 -18.310 1.00 41.36 O HETATM 1127 O HOH A 401 1.402 -6.529 1.737 1.00 54.81 O HETATM 1128 O HOH A 402 -3.227 -24.661 13.890 1.00 45.75 O HETATM 1129 O HOH A 403 -18.266 -23.416 2.955 1.00 58.62 O HETATM 1130 O HOH A 404 -9.084 -20.899 16.381 1.00 55.30 O HETATM 1131 O HOH A 405 4.898 -9.739 6.668 1.00 47.22 O HETATM 1132 O HOH A 406 7.565 -39.077 -6.511 1.00 45.20 O HETATM 1133 O HOH A 407 8.973 -18.059 10.665 1.00 64.57 O HETATM 1134 O HOH A 408 9.004 -20.160 12.867 1.00 51.32 O HETATM 1135 O HOH A 409 0.366 -23.739 -14.765 1.00 27.27 O HETATM 1136 O HOH A 410 21.072 -21.071 -9.244 0.50 63.09 O HETATM 1137 O HOH A 411 -6.688 -24.843 -10.837 1.00 49.94 O HETATM 1138 O HOH A 412 -9.314 -19.135 -10.636 1.00 66.74 O HETATM 1139 O HOH A 413 -1.484 -4.724 2.261 1.00 44.75 O HETATM 1140 O HOH A 414 11.948 -33.394 -3.314 1.00 58.24 O HETATM 1141 O HOH A 415 -6.781 -11.102 16.321 1.00 48.08 O HETATM 1142 O HOH A 416 15.664 -15.664 -9.244 0.50 53.58 O HETATM 1143 O HOH A 417 -0.356 -32.128 -10.800 1.00 51.98 O HETATM 1144 O HOH A 418 12.276 -12.276 -9.244 0.50 38.80 O HETATM 1145 O HOH A 419 -1.562 -23.652 15.221 1.00 50.26 O HETATM 1146 O HOH A 420 3.128 -29.306 -14.782 1.00 42.66 O HETATM 1147 O HOH A 421 0.276 -38.926 0.158 1.00 38.40 O HETATM 1148 O HOH A 422 -11.435 -6.052 14.952 1.00 57.69 O CONECT 48 992 CONECT 107 1024 CONECT 115 1020 CONECT 118 1024 CONECT 249 900 CONECT 524 641 CONECT 612 735 CONECT 641 524 CONECT 735 612 CONECT 900 249 CONECT 992 48 CONECT 1014 1015 1016 CONECT 1015 1014 CONECT 1016 1014 1017 1018 CONECT 1017 1016 CONECT 1018 1016 1019 CONECT 1019 1018 CONECT 1020 115 1021 1022 1023 CONECT 1021 1020 CONECT 1022 1020 CONECT 1023 1020 CONECT 1024 107 118 1025 1026 CONECT 1025 1024 CONECT 1026 1024 END