USER MOD reduce.3.24.130724 H: found=0, std=0, add=1963, rem=0, adj=65 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 29-NOV-00 1HF4 TITLE STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC TITLE 2 LYSOZYME CRYSTALS COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: HEN (GALLUS GALLUS) EGG-WHITE LYSOZYME, COMPND 5 MUCOPEPTIDE, N-ACETYLMURAMYL HYDROLASE; COMPND 6 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; SOURCE 5 TISSUE: EGG WHITE; SOURCE 6 CELLULAR_LOCATION: CYTOPLASM (WHITE) KEYWDS HYDROLASE, HYDROLASE (O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR M.C.VANEY,I.BROUTIN,M.RIES-KAUTT,A.DUCRUIX REVDAT 4 24-FEB-09 1HF4 1 VERSN REVDAT 3 18-JUL-03 1HF4 1 REMARK REVDAT 2 27-NOV-01 1HF4 1 JRNL REVDAT 1 07-JAN-01 1HF4 0 JRNL AUTH M.C.VANEY,I.BROUTIN,P.RETAILLEAU,A.DOUANGAMATH, JRNL AUTH 2 S.LAFONT,C.HAMIAUX,T.PRANGE,A.DUCRUIX,M.RIES-KAUTT JRNL TITL STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON JRNL TITL 2 POLYMORPHIC LYSOZYME CRYSTALS JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 57 929 2001 JRNL REFN ISSN 0907-4449 JRNL PMID 11418760 JRNL DOI 10.1107/S0907444901004504 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Z.DAUTER,M.DAUTER,K.R.RAJASHANKAR REMARK 1 TITL NOVEL APPROACH TO PHASING PROTEINS: DERIVATIZATION REMARK 1 TITL 2 BY SHORT CRYO-SOAKING WITH HALIDES REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 56 232 2000 REMARK 1 REFN ISSN 0907-4449 REMARK 1 PMID 10666615 REMARK 1 DOI 10.1107/S0907444999016352 REMARK 1 REFERENCE 2 REMARK 1 AUTH Z.DAUTER,M.DAUTER REMARK 1 TITL ANOMALOUS SIGNAL OF SOLVENT BROMIDES USED FOR REMARK 1 TITL 2 PHASING OF LYSOZYME REMARK 1 REF J.MOL.BIOL. V. 289 93 1999 REMARK 1 REFN ISSN 0022-2836 REMARK 1 PMID 10339408 REMARK 1 DOI 10.1006/JMBI.1999.2744 REMARK 1 REFERENCE 3 REMARK 1 AUTH M.A.WALSH,T.R.SCHNEIDER,L.C.SIEKER,Z.DAUTER, REMARK 1 AUTH 2 V.S.LAMZIN,K.S.WILSON REMARK 1 TITL REFINEMENT OF TRICLINIC HEN EGG-WHITE LYSOZYME AT REMARK 1 TITL 2 ATOMIC RESOLUTION REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 54 522 1998 REMARK 1 REFN ISSN 0907-4449 REMARK 1 PMID 9761848 REMARK 1 DOI 10.1107/S0907444997013656 REMARK 1 REFERENCE 4 REMARK 1 AUTH L.K.STEINRAUF REMARK 1 TITL STRUCTURES OF MONOCLINIC LYSOZYME IODIDE AT 1.6 A REMARK 1 TITL 2 AND OF TRICLINIC LYSOZYME NITRATE AT 1.1 A. REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 54 767 1998 REMARK 1 REFN ISSN 0907-4449 REMARK 1 PMID 9757091 REMARK 1 DOI 10.1107/S0907444997016922 REMARK 1 REFERENCE 5 REMARK 1 AUTH K.LIM,A.NADARAJAH,E.L.FORSYTHE,M.L.PUSEY REMARK 1 TITL LOCATIONS OF BROMIDE IONS IN TETRAGONAL LYSOZYME REMARK 1 TITL 2 CRYSTALS REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 54 899 1998 REMARK 1 REFN ISSN 0907-4449 REMARK 1 PMID 9757106 REMARK 1 DOI 10.1107/S0907444998002844 REMARK 1 REFERENCE 6 REMARK 1 AUTH M.C.VANEY,S.MAIGNAN,M.RIES-KAUTT,A.DUCRUIX REMARK 1 TITL HIGH-RESOLUTION STRUCTURE (1.33 A) OF A HEW REMARK 1 TITL 2 LYSOZYME TETRAGONAL CRYSTAL GROWN IN THE APCF REMARK 1 TITL 3 APPARATUS. DATA AND STRUCTURAL COMPARISON WITH A REMARK 1 TITL 4 CRYSTAL GROWN UNDER MICROGRAVITY FROM SPACEHAB-01 REMARK 1 TITL 5 MISSION. REMARK 1 REF ACTA CRYSTALLOGR.,SECT.D V. 52 505 1996 REMARK 1 REFN ISSN 0907-4449 REMARK 1 PMID 15299672 REMARK 1 DOI 10.1107/S090744499501674X REMARK 2 REMARK 2 RESOLUTION. 1.45 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.853 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 95.5 REMARK 3 NUMBER OF REFLECTIONS : 31225 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 SET) : 0.215 REMARK 3 FREE R VALUE : 0.256 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3499 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.45 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.52 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 87 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3549 REMARK 3 BIN R VALUE (WORKING SET) : 0.34 REMARK 3 BIN FREE R VALUE : 0.39 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 11.3 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 403 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2037 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 35 REMARK 3 SOLVENT ATOMS : 251 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 13.7 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.4 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.19 REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.35 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.8 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.14 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.50 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.73 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.21 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.70 ; 2.500 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : PARAM11.WAT REMARK 3 PARAMETER FILE 3 : PARAMETER.ELEMENTS REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : TOPH11.WAT REMARK 3 TOPOLOGY FILE 3 : TOPOLOGY.ELEMENTS REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE LOOP ARG73-ASN74 OF CHAIN B WAS REMARK 3 MODELED WITH ALTERNATE POSITIONS. IN CONTACT WITH THESE TWO REMARK 3 LOOPS CONFORMATIONS, TWO SODIUM IONS NA+ WERE REFINED WITH REMARK 3 ALTERNATE POSITIONS. ATOM OCCUPANCIES WERE REFINED FOR NA+ 350 REMARK 3 AND SOME NITRATE IONS: NO3-807 AND NO3-808, BUT NO ALTERNATE REMARK 3 POSITIONS WERE MODELLED. ALTHOUGH THERE ARE SOME BUMPS BETWEEN REMARK 3 ATOMS OF THE STRUCTURE, THESE ATOMS ARE CLEARLY DEFINED INTO REMARK 3 THE ELECTRON DENSITIES. REMARK 4 REMARK 4 1HF4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-NOV-00. REMARK 100 THE PDBE ID CODE IS EBI-5550. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JAN-96 REMARK 200 TEMPERATURE (KELVIN) : 293.0 REMARK 200 PH : 4.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : LURE REMARK 200 BEAMLINE : DW32 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (AGROVATA, ROTAVATA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 35206 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.450 REMARK 200 RESOLUTION RANGE LOW (A) : 10.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.5 REMARK 200 DATA REDUNDANCY : 7.700 REMARK 200 R MERGE (I) : 0.12000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 3.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.45 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.49 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.0 REMARK 200 DATA REDUNDANCY IN SHELL : 3.60 REMARK 200 R MERGE FOR SHELL (I) : 0.16000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR 3.853 REMARK 200 STARTING MODEL: 5LYM REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 24 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.63 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: CRYSTALS OF NITRATE-LYSOZYME WERE REMARK 280 GROWN UNDER A MICRO GRAVITY ENVIRONMENT DURING THE USML-2 REMARK 280 MISSION LAUNCHED ON OCTOBER 1995 (SHUTTLE COLUMBIA). THE REMARK 280 CRYSTALLIZATION SETUP WAS THE APCF DEVELOPPED BY EUROPEAN SPACE REMARK 280 AGENCY. PROTEIN CONCENTRATION 10 MG/ML IN 50 MM SODIUM ACETATE REMARK 280 BUFFER AT PH 4.5. GRADIENT CONCENTRATION APPLIED FROM 0 TO FINAL REMARK 280 290 MM AT 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 31.36500 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 300 REMARK 300 DETAILS:BIOLOGICAL_UNIT: MONOMER REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 5 NE - CZ - NH2 ANGL. DEV. = 3.6 DEGREES REMARK 500 ARG B 5 NE - CZ - NH2 ANGL. DEV. = 3.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG B 128 56.76 39.22 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 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 NA B 150 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH B2076 O REMARK 620 2 SER B 60 O 145.2 REMARK 620 3 CYS B 64 O 113.0 82.3 REMARK 620 4 ARG B 73A O 95.2 113.2 100.5 REMARK 620 5 HOH B2072 O 67.8 86.4 78.0 160.1 REMARK 620 N 1 2 3 4 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 NA A 150 NA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ARG A 73 O REMARK 620 2 SER A 60 O 113.8 REMARK 620 3 HOH A2065 O 87.5 158.5 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA A 150 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NA B 150 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 801 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 802 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 A 803 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 801 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 802 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 803 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 804 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NO3 B 805 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 193L RELATED DB: PDB REMARK 900 THE 1.33 A STRUCTURE OF TETRAGONAL HEN EGG WHITE REMARK 900 LYSOZYME REMARK 900 RELATED ID: 194L RELATED DB: PDB REMARK 900 THE 1.40 A STRUCTURE OF SPACEHAB-01 HEN EGG WHITE REMARK 900 LYSOZYME REMARK 900 RELATED ID: 1A2Y RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME, D18A MUTANT, IN COMPLEX WITH REMARK 900 MOUSE MONOCLONAL ANTIBODY D1.3 REMARK 900 RELATED ID: 1AKI RELATED DB: PDB REMARK 900 THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE REMARK 900 LYSOZYME AT 1.5 ANGSTROMS RESOLUTION REMARK 900 RELATED ID: 1AT5 RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME WITH A SUCCINIMIDE RESIDUE REMARK 900 RELATED ID: 1AT6 RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME WITH A ISOASPARTATE RESIDUE REMARK 900 RELATED ID: 1AZF RELATED DB: PDB REMARK 900 CHICKEN EGG WHITE LYSOZYME CRYSTAL GROWN IN BROMIDE REMARK 900 SOLUTION REMARK 900 RELATED ID: 1B0D RELATED DB: PDB REMARK 900 STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC REMARK 900 LYSOZYME CRYSTALS REMARK 900 RELATED ID: 1B2K RELATED DB: PDB REMARK 900 STRUCTURAL EFFECTS OF MONOVALENT ANIONS ON POLYMORPHIC REMARK 900 LYSOZYME CRYSTALS REMARK 900 RELATED ID: 1BGI RELATED DB: PDB REMARK 900 ORTHORHOMBIC LYSOZYME CRYSTALLIZED AT HIGH TEMPERATURE REMARK 900 (310K) REMARK 900 RELATED ID: 1BHZ RELATED DB: PDB REMARK 900 LOW TEMPERATURE MIDDLE RESOLUTION STRUCTURE OF HEN EGG REMARK 900 WHITE LYSOZYME FROM MASC DATA REMARK 900 RELATED ID: 1BVK RELATED DB: PDB REMARK 900 HUMANIZED ANTI-LYSOZYME FV COMPLEXED WITH LYSOZYME REMARK 900 RELATED ID: 1BVX RELATED DB: PDB REMARK 900 THE 1.8 A STRUCTURE OF GEL GROWN TETRAGONAL HEN EGG REMARK 900 WHITE LYSOZYME REMARK 900 RELATED ID: 1BWH RELATED DB: PDB REMARK 900 THE 1.8 A STRUCTURE OF GROUND CONTROL GROWN TETRAGONAL REMARK 900 HEN EGG WHITE LYSOZYME REMARK 900 RELATED ID: 1BWI RELATED DB: PDB REMARK 900 THE 1.8 A STRUCTURE OF MICROBATCH OIL DROP GROWN REMARK 900 TETRAGONAL HEN EGG WHITE LYSOZYME REMARK 900 RELATED ID: 1BWJ RELATED DB: PDB REMARK 900 THE 1.8 A STRUCTURE OF MICROGRAVITY GROWN TETRAGONAL HEN REMARK 900 EGG WHITE LYSOZYME REMARK 900 RELATED ID: 1C08 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HYHEL-10 FV-HEN LYSOZYME COMPLEX REMARK 900 RELATED ID: 1C10 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HEW LYSOZYME UNDER PRESSURE OF REMARK 900 XENON (8 BAR) REMARK 900 RELATED ID: 1DPW RELATED DB: PDB REMARK 900 STRUCTURE OF HEN EGG-WHITE LYSOZYME IN COMPLEX WITH MPD REMARK 900 RELATED ID: 1DPX RELATED DB: PDB REMARK 900 STRUCTURE OF HEN EGG-WHITE LYSOZYME REMARK 900 RELATED ID: 1DQJ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE ANTI-LYSOZYME ANTIBODY HYHEL-63 REMARK 900 COMPLEXED WITH HEN EGG WHITE LYSOZYME REMARK 900 RELATED ID: 1E8L RELATED DB: PDB REMARK 900 NMR SOLUTION STRUCTURE OF HEN LYSOZYME REMARK 900 RELATED ID: 1F0W RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ORTHORHOMBIC LYSOZYME GROWN AT PH REMARK 900 6.5 REMARK 900 RELATED ID: 1F10 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF ORTHORHOMBIC LYSOZYME GROWN AT PH REMARK 900 6.5 AT 88% RELATIVE HUMIDITY REMARK 900 RELATED ID: 1F3J RELATED DB: PDB REMARK 900 HISTOCOMPATIBILITY ANTIGEN I-AG7 REMARK 900 RELATED ID: 1FLQ RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME MUTANT WITH ALANINE SUBSTITUTED REMARK 900 FORGLYCINE REMARK 900 RELATED ID: 1FLU RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME MUTANT WITH ALANINE SUBSTITUTED REMARK 900 FORGLYCINE REMARK 900 RELATED ID: 1FLW RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME MUTANT WITH ALANINE SUBSTITUTED REMARK 900 FORGLYCINE REMARK 900 RELATED ID: 1FLY RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME MUTANT WITH ALANINE SUBSTITUTED REMARK 900 FORGLYCINE REMARK 900 RELATED ID: 1FN5 RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME MUTANT WITH ALANINE SUBSTITUTED REMARK 900 FORGLYCINE REMARK 900 RELATED ID: 1HSW RELATED DB: PDB REMARK 900 LYSOZYME (MUCOPEPTIDE N-ACETYLMURAMYL HYDROLASE) REMARK 900 RELATED ID: 1HSX RELATED DB: PDB REMARK 900 LYSOZYME GROWN AT BASIC PH AND ITS LOW HUMIDITY VARIANT REMARK 900 RELATED ID: 1JPO RELATED DB: PDB REMARK 900 LOW TEMPERATURE ORTHORHOMBIC LYSOZYME REMARK 900 RELATED ID: 1KIP RELATED DB: PDB REMARK 900 FV MUTANT Y(B 32)A (VH DOMAIN) OF MOUSE MONOCLONAL REMARK 900 ANTIBODY D1.3 COMPLEXED WITH HEN EGG WHITE LYSOZYME REMARK 900 RELATED ID: 1KIQ RELATED DB: PDB REMARK 900 FV MUTANT Y(B 101)F (VH DOMAIN) OF MOUSE MONOCLONAL REMARK 900 ANTIBODY D1.3 COMPLEXED WITH HEN EGG WHITE LYSOZYME REMARK 900 RELATED ID: 1KIR RELATED DB: PDB REMARK 900 FV MUTANT Y(A 50)S (VL DOMAIN) OF MOUSE MONOCLONAL REMARK 900 ANTIBODY D1.3 COMPLEXED WITH HEN EGG WHITE LYSOZYME REMARK 900 RELATED ID: 1KXW RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1KXX RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1KXY RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1LCN RELATED DB: PDB REMARK 900 MONOCLINIC HEN EGG WHITE LYSOZYME, THIOCYANATE COMPLEX REMARK 900 RELATED ID: 1LKR RELATED DB: PDB REMARK 900 MONOCLINIC HEN EGG WHITE LYSOZYME IODIDE REMARK 900 RELATED ID: 1LKS RELATED DB: PDB REMARK 900 HEN EGG WHITE LYSOZYME NITRATE REMARK 900 RELATED ID: 1LPI RELATED DB: PDB REMARK 900 HEW LYSOZYME: TRP...NA CATION-PI INTERACTION REMARK 900 RELATED ID: 1LYO RELATED DB: PDB REMARK 900 CROSS-LINKED LYSOZYME CRYSTAL IN NEAT WATER REMARK 900 RELATED ID: 1LZ8 RELATED DB: PDB REMARK 900 LYSOZYME PHASED ON ANOMALOUS SIGNAL OF SULFURS AND REMARK 900 CHLORINES REMARK 900 RELATED ID: 1LZN RELATED DB: PDB REMARK 900 NEUTRON STRUCTURE OF HEN EGG-WHITE LYSOZYME REMARK 900 RELATED ID: 1MEL RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF A CAMEL SINGLE-DOMAIN VH ANTIBODY REMARK 900 FRAGMENT IN COMPLEX WITH LYSOZYME REMARK 900 RELATED ID: 1QTK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HEW LYSOZYME UNDER PRESSURE OF REMARK 900 KRYPTON (55 BAR) REMARK 900 RELATED ID: 1RFP RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UCO RELATED DB: PDB REMARK 900 HEN EGG-WHITE LYSOZYME, LOW HUMIDITY FORM REMARK 900 RELATED ID: 1UIA RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UIB RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UIC RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UID RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UIE RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UIF RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UIG RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1UIH RELATED DB: PDB REMARK 900 ANALYSIS OF THE STABILIZATION OF HEN LYSOZYME WITH THE REMARK 900 HELIX DIPOLE AND CHARGED SIDE CHAINS REMARK 900 RELATED ID: 1XEI RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF LYSOZYME AT VERY LOW LEVELS OF REMARK 900 HYDRATION REMARK 900 RELATED ID: 1XEJ RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF LYSOZYME AT VERY LOW LEVELS OF REMARK 900 HYDRATION REMARK 900 RELATED ID: 1XEK RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURES OF LYSOZYME AT VERY LOW LEVELS OF REMARK 900 HYDRATION REMARK 900 RELATED ID: 2LYO RELATED DB: PDB REMARK 900 CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 90% REMARK 900 ACETONITRILE-WATER REMARK 900 RELATED ID: 3LYO RELATED DB: PDB REMARK 900 CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN 95% REMARK 900 ACETONITRILE-WATER REMARK 900 RELATED ID: 3LZT RELATED DB: PDB REMARK 900 REFINEMENT OF TRICLINIC LYSOZYME AT ATOMIC RESOLUTION REMARK 900 RELATED ID: 4LYO RELATED DB: PDB REMARK 900 CROSS-LINKED CHICKEN LYSOZYME CRYSTAL IN NEAT REMARK 900 ACETONITRILE, THEN BACK-SOAKED IN WATER REMARK 900 RELATED ID: 4LZT RELATED DB: PDB REMARK 900 ATOMIC RESOLUTION REFINEMENT OF TRICLINIC HEW LYSOZYME REMARK 900 AT 295K DBREF 1HF4 A 1 129 UNP P00698 LYC_CHICK 19 147 DBREF 1HF4 B 1 129 UNP P00698 LYC_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 SEQRES 1 B 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 B 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 B 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 B 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 B 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 B 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 B 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 B 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 B 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 B 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU HET NA A 150 1 HET NA B 150 2 HET NO3 A 801 4 HET NO3 A 802 4 HET NO3 A 803 4 HET NO3 B 801 4 HET NO3 B 802 4 HET NO3 B 803 4 HET NO3 B 804 4 HET NO3 B 805 4 HETNAM NA SODIUM ION HETNAM NO3 NITRATE ION FORMUL 3 NA 2(NA 1+) FORMUL 5 NO3 8(N O3 1-) FORMUL 13 HOH *251(H2 O1) HELIX 1 1 GLY A 4 HIS A 15 1 12 HELIX 2 2 SER A 24 ASN A 37 1 14 HELIX 3 3 CYS A 80 SER A 85 5 6 HELIX 4 4 ILE A 88 SER A 100 1 13 HELIX 5 5 ASN A 103 ALA A 107 5 5 HELIX 6 6 TRP A 108 CYS A 115 1 8 HELIX 7 7 ASP A 119 ARG A 125 5 7 HELIX 8 8 GLY B 4 HIS B 15 1 12 HELIX 9 9 SER B 24 ASN B 37 1 14 HELIX 10 10 CYS B 80 SER B 85 5 6 HELIX 11 11 ILE B 88 VAL B 99 1 12 HELIX 12 12 ASN B 103 ALA B 107 5 5 HELIX 13 13 TRP B 108 CYS B 115 1 8 HELIX 14 14 ASP B 119 ARG B 125 5 7 SHEET 1 AA 3 THR A 43 ARG A 45 0 SHEET 2 AA 3 THR A 51 TYR A 53 -1 O ASP A 52 N ASN A 44 SHEET 3 AA 3 ILE A 58 ASN A 59 -1 O ILE A 58 N TYR A 53 SHEET 1 BA 3 THR B 43 ARG B 45 0 SHEET 2 BA 3 THR B 51 TYR B 53 -1 O ASP B 52 N ASN B 44 SHEET 3 BA 3 ILE B 58 ASN B 59 -1 O ILE B 58 N TYR B 53 SSBOND *** CYS A 6 CYS A 127 1555 1555 2.04 SSBOND *** CYS A 30 CYS A 115 1555 1555 2.03 SSBOND *** CYS A 64 CYS A 80 1555 1555 2.03 SSBOND *** CYS A 76 CYS A 94 1555 1555 2.03 SSBOND *** CYS B 6 CYS B 127 1555 1555 2.03 SSBOND *** CYS B 30 CYS B 115 1555 1555 2.03 SSBOND *** CYS B 64 CYS B 80 1555 1555 2.02 SSBOND *** CYS B 76 CYS B 94 1555 1555 2.02 LINK NA A NA A 150 O ARG A 73 1555 1555 2.38 LINK NA A NA A 150 O HOH A2065 1555 1555 2.28 LINK NA A NA A 150 O SER A 60 1555 1555 2.37 LINK NA A NA B 150 O AARG B 73 1555 1555 2.19 LINK NA A NA B 150 O HOH B2072 1555 1555 2.55 LINK NA A NA B 150 O CYS B 64 1555 1555 2.43 LINK NA A NA B 150 O SER B 60 1555 1555 2.22 LINK NA A NA B 150 O HOH B2076 1555 1555 2.51 SITE *** AC1 6 SER A 60 CYS A 64 SER A 72 ARG A 73 SITE *** AC1 6 HOH A2058 HOH A2065 SITE *** AC2 7 SER B 60 CYS B 64 ARG B 73 ASN B 74 SITE *** AC2 7 HOH B2069 HOH B2072 HOH B2076 SITE *** AC3 9 ASN A 65 ASN A 74 ASN A 77 ILE A 78 SITE *** AC3 9 PRO A 79 HOH A2119 ARG B 112 LYS B 116 SITE *** AC3 9 HOH B2109 SITE *** AC4 5 LYS A 1 GLN A 41 SER A 86 HOH A2120 SITE *** AC4 5 HOH A2121 SITE *** AC5 7 PHE A 3 ALA A 11 ARG A 14 HIS A 15 SITE *** AC5 7 SER A 86 ASP A 87 ILE A 88 SITE *** AC6 7 ARG A 112 LYS A 116 ASN B 65 ASN B 74 SITE *** AC6 7 ASN B 77 ILE B 78 PRO B 79 SITE *** AC7 3 GLY B 126 HOH B2126 HOH B2127 SITE *** AC8 8 ARG A 21 GLY A 22 ASN B 65 ASP B 66 SITE *** AC8 8 PRO B 79 CYS B 80 SER B 81 HOH B2128 SITE *** AC9 10 PHE B 3 ALA B 11 ARG B 14 HIS B 15 SITE *** AC9 10 SER B 86 ASP B 87 ILE B 88 THR B 89 SITE *** AC9 10 HOH B2084 HOH B2129 SITE *** BC1 5 ARG B 45 ASN B 46 THR B 47 GLY B 49 SITE *** BC1 5 HOH B2130 CRYST1 27.940 62.730 60.250 90.00 90.76 90.00 P 1 21 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.035791 0.000000 0.000475 0.00000 SCALE2 0.000000 0.015941 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016599 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 106 ASN : amide:sc= 0.0481 K(o=0.65,f=-6!) USER MOD Set 1.2: B 116 LYS NZ :NH3+ 174:sc= 0.598 (180deg=0) USER MOD Set 2.1: B 15 HIS : no HE2:sc= 0.95 K(o=2.1,f=-1.1!) USER MOD Set 2.2: B 89 THR OG1 : rot 81:sc= 1.17 USER MOD Set 3.1: B 60 SER OG : rot 131:sc= 1.7 USER MOD Set 3.2: B 69 THR OG1 : rot 72:sc= 2.19 USER MOD Set 4.1: B 46 ASN : amide:sc= -0.648 K(o=2.2,f=-1.7) USER MOD Set 4.2: B 50 SER OG : rot -89:sc= 1.58 USER MOD Set 4.3: B 59 ASN : amide:sc= 1.26 K(o=2.2,f=-3!) USER MOD Set 5.1: B 33 LYS NZ :NH3+ -179:sc= 1.01 (180deg=0) USER MOD Set 5.2: B 37 ASN : amide:sc= 0.802 K(o=1.8,f=-5.1!) USER MOD Set 6.1: B 24 SER OG : rot 121:sc= 0.0159 USER MOD Set 6.2: B 27 ASN : amide:sc= 0.984 K(o=1,f=-1.7!) USER MOD Set 7.1: B 1 LYS N :NH3+ 178:sc= 2.42 (180deg=1.18) USER MOD Set 7.2: B 40 THR OG1 : rot 112:sc= 1.83 USER MOD Set 8.1: A 106 ASN : amide:sc= 1.08 K(o=2.2,f=-4.9!) USER MOD Set 8.2: A 116 LYS NZ :NH3+ 172:sc= 1.41 (180deg=0.503) USER MOD Set 8.3: B 77 ASN : amide:sc= -0.262 K(o=2.2,f=1.3) USER MOD Set 9.1: A 15 HIS : no HE2:sc= -0.432 K(o=0.37,f=-2!) USER MOD Set 9.2: A 89 THR OG1 : rot -41:sc= 0.801 USER MOD Set10.1: A 60 SER OG : rot 115:sc= 1.52 USER MOD Set10.2: A 69 THR OG1 : rot 74:sc= 1.74 USER MOD Set11.1: A 46 ASN : amide:sc= -0.144 X(o=2.7,f=2.9) USER MOD Set11.2: A 50 SER OG : rot -67:sc= 1.43 USER MOD Set11.3: A 59 ASN : amide:sc= 1.37 K(o=2.7,f=-1.5!) USER MOD Set12.1: A 1 LYS N :NH3+ -144:sc= -1.12! (180deg=-2.93!) USER MOD Set12.2: A 40 THR OG1 : rot 124:sc= 0.979 USER MOD Set13.1: A 33 LYS NZ :NH3+ 164:sc= 0.499 (180deg=0) USER MOD Set13.2: A 37 ASN : amide:sc= 0.336 K(o=0.83,f=-3.1!) USER MOD Set14.1: A 24 SER OG : rot 122:sc= 0.643 USER MOD Set14.2: A 27 ASN : amide:sc= 1.09 K(o=1.7,f=-2.3!) USER MOD Single : A 1 LYS NZ :NH3+ 173:sc= 0.3 (180deg=0.278) USER MOD Single : A 12 MET CE :methyl -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= -0.0292 (180deg=-0.144) USER MOD Single : A 19 ASN : amide:sc= -0.015 K(o=-0.015,f=-1) USER MOD Single : A 20 TYR OH : rot 180:sc= 0.648 USER MOD Single : A 23 TYR OH : rot 151:sc= 1.08 USER MOD Single : A 36 SER OG : rot -106:sc= -0.265 USER MOD Single : A 39 ASN : amide:sc= 1.04 K(o=1,f=-4!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.346 X(o=0.35,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 2.2e-05 USER MOD Single : A 51 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 53 TYR OH : rot 9:sc= 1.82 USER MOD Single : A 57 GLN : amide:sc= 3.14 K(o=3.1,f=0.56) USER MOD Single : A 65 ASN :FLIP amide:sc= 0.38 F(o=-1.9!,f=0.38) USER MOD Single : A 72 SER OG : rot -51:sc= 2.52 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.563 F(o=-5.5!,f=-0.56) USER MOD Single : A 77 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.3) USER MOD Single : A 81 SER OG : rot 96:sc= 0.0515 USER MOD Single : A 85 SER OG : rot 80:sc= 2.15 USER MOD Single : A 86 SER OG : rot 2:sc= -0.496 USER MOD Single : A 91 SER OG : rot -108:sc= 1.65 USER MOD Single : A 93 ASN : amide:sc= 1.19 K(o=1.2,f=-0.66) USER MOD Single : A 96 LYS NZ :NH3+ -155:sc= 0.555 (180deg=0.296) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0542 (180deg=-0.219) USER MOD Single : A 100 SER OG : rot 90:sc= 0.6 USER MOD Single : A 103 ASN :FLIP amide:sc= 1.81 F(o=1.3,f=1.8) USER MOD Single : A 105 MET CE :methyl 165:sc= -0.0292 (180deg=-0.21) USER MOD Single : A 113 ASN : amide:sc= -0.155 K(o=-0.15,f=-4.6!) USER MOD Single : A 118 THR OG1 : rot -68:sc= 1.79 USER MOD Single : A 121 GLN : amide:sc= -0.0434 X(o=-0.043,f=0.2) USER MOD Single : B 1 LYS NZ :NH3+ 158:sc= 0.793 (180deg=0.618) USER MOD Single : B 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -136:sc= 0.0268 (180deg=-0.134) USER MOD Single : B 19 ASN :FLIP amide:sc= -0.0646 F(o=-1.2!,f=-0.065) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 TYR OH : rot 151:sc= 0.719 USER MOD Single : B 36 SER OG : rot -111:sc= 0.0882 USER MOD Single : B 39 ASN : amide:sc= 1.04 K(o=1,f=-3.7!) USER MOD Single : B 41 GLN : amide:sc= 0.428! X(o=0.43!,f=0.4) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 ASN : amide:sc= 0.734 X(o=0.73,f=0.59) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 84:sc= 1.09 USER MOD Single : B 53 TYR OH : rot 14:sc= 0.841 USER MOD Single : B 57 GLN : amide:sc= 1.6 K(o=1.6,f=-0.064) USER MOD Single : B 65 ASN : amide:sc= 0.713 K(o=0.71,f=-4!) USER MOD Single : B 72 SER OG A: rot 180:sc= 0 USER MOD Single : B 72 SER OG B: rot 180:sc= 0 USER MOD Single : B 74 ASN A: amide:sc= 0.392 K(o=0.39,f=-6!) USER MOD Single : B 74 ASN B: amide:sc= 0.678 K(o=0.68,f=-6.4!) USER MOD Single : B 81 SER OG : rot -175:sc= 0.0248 USER MOD Single : B 85 SER OG : rot 160:sc= -0.134 USER MOD Single : B 86 SER OG : rot -114:sc= 0.0033 USER MOD Single : B 91 SER OG : rot 77:sc= 0.999 USER MOD Single : B 93 ASN : amide:sc= 1.02 K(o=1,f=-0.31) USER MOD Single : B 96 LYS NZ :NH3+ -170:sc= 1.72 (180deg=1.24) USER MOD Single : B 97 LYS NZ :NH3+ 173:sc= 0.846 (180deg=0.808) USER MOD Single : B 100 SER OG : rot 90:sc= 0.951 USER MOD Single : B 103 ASN : amide:sc= 0.741 K(o=0.74,f=-0.66) USER MOD Single : B 105 MET CE :methyl 165:sc= -0.278 (180deg=-0.62) USER MOD Single : B 113 ASN : amide:sc= 1.86 K(o=1.9,f=-0.043) USER MOD Single : B 118 THR OG1 : rot -53:sc= 2.32 USER MOD Single : B 121 GLN :FLIP amide:sc= 0.586 F(o=-1.9!,f=0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.495 43.452 14.955 1.00 14.21 N ATOM 2 CA LYS A 1 0.105 44.499 15.936 1.00 14.71 C ATOM 3 C LYS A 1 0.766 44.257 17.296 1.00 15.03 C ATOM 4 O LYS A 1 0.921 43.110 17.729 1.00 13.76 O ATOM 5 CB LYS A 1 -1.418 44.518 16.112 1.00 16.13 C ATOM 6 CG LYS A 1 -1.890 45.536 17.126 1.00 18.54 C ATOM 7 CD LYS A 1 -3.359 45.418 17.422 1.00 19.32 C ATOM 8 CE LYS A 1 -3.741 46.402 18.518 1.00 19.83 C ATOM 9 NZ LYS A 1 -5.195 46.378 18.818 1.00 20.31 N ATOM 0 H1 LYS A 1 0.576 43.817 14.147 1.00 14.21 H new ATOM 0 H2 LYS A 1 1.273 43.093 15.197 1.00 14.21 H new ATOM 0 H3 LYS A 1 -0.130 42.818 14.933 1.00 14.21 H new ATOM 0 HA LYS A 1 0.406 45.354 15.591 1.00 14.71 H new ATOM 0 HB2 LYS A 1 -1.834 44.706 15.256 1.00 16.13 H new ATOM 0 HB3 LYS A 1 -1.717 43.636 16.385 1.00 16.13 H new ATOM 0 HG2 LYS A 1 -1.388 45.425 17.948 1.00 18.54 H new ATOM 0 HG3 LYS A 1 -1.701 46.428 16.796 1.00 18.54 H new ATOM 0 HD2 LYS A 1 -3.875 45.597 16.620 1.00 19.32 H new ATOM 0 HD3 LYS A 1 -3.570 44.513 17.699 1.00 19.32 H new ATOM 0 HE2 LYS A 1 -3.243 46.194 19.324 1.00 19.83 H new ATOM 0 HE3 LYS A 1 -3.483 47.298 18.249 1.00 19.83 H new ATOM 0 HZ1 LYS A 1 -5.360 46.889 19.528 1.00 20.31 H new ATOM 0 HZ2 LYS A 1 -5.648 46.688 18.118 1.00 20.31 H new ATOM 0 HZ3 LYS A 1 -5.449 45.542 18.989 1.00 20.31 H new ATOM 10 N VAL A 2 1.206 45.376 17.892 1.00 13.53 N ATOM 11 CA VAL A 2 1.764 45.263 19.245 1.00 14.16 C ATOM 12 C VAL A 2 0.809 45.900 20.253 1.00 13.84 C ATOM 13 O VAL A 2 0.674 47.133 20.313 1.00 15.01 O ATOM 14 CB VAL A 2 3.116 45.968 19.312 1.00 14.64 C ATOM 15 CG1 VAL A 2 3.734 45.948 20.712 1.00 13.79 C ATOM 16 CG2 VAL A 2 4.159 45.336 18.389 1.00 15.66 C ATOM 0 H VAL A 2 1.192 46.166 17.552 1.00 13.53 H new ATOM 0 HA VAL A 2 1.881 44.324 19.459 1.00 14.16 H new ATOM 0 HB VAL A 2 2.912 46.876 19.039 1.00 14.64 H new ATOM 0 HG11 VAL A 2 4.588 46.408 20.696 1.00 13.79 H new ATOM 0 HG12 VAL A 2 3.139 46.394 21.335 1.00 13.79 H new ATOM 0 HG13 VAL A 2 3.867 45.030 20.994 1.00 13.79 H new ATOM 0 HG21 VAL A 2 4.997 45.819 18.469 1.00 15.66 H new ATOM 0 HG22 VAL A 2 4.295 44.409 18.641 1.00 15.66 H new ATOM 0 HG23 VAL A 2 3.848 45.379 17.471 1.00 15.66 H new ATOM 17 N PHE A 3 0.213 45.048 20.995 1.00 12.89 N ATOM 18 CA PHE A 3 -0.773 45.359 22.037 1.00 12.07 C ATOM 19 C PHE A 3 -0.118 46.021 23.242 1.00 11.78 C ATOM 20 O PHE A 3 1.044 45.747 23.570 1.00 10.85 O ATOM 21 CB PHE A 3 -1.436 44.079 22.548 1.00 11.43 C ATOM 22 CG PHE A 3 -2.691 43.690 21.781 1.00 10.87 C ATOM 23 CD1 PHE A 3 -3.937 44.171 22.194 1.00 10.89 C ATOM 24 CD2 PHE A 3 -2.593 42.852 20.667 1.00 12.26 C ATOM 25 CE1 PHE A 3 -5.091 43.811 21.490 1.00 12.53 C ATOM 26 CE2 PHE A 3 -3.745 42.491 19.962 1.00 13.36 C ATOM 27 CZ PHE A 3 -4.995 42.971 20.373 1.00 13.89 C ATOM 0 H PHE A 3 0.361 44.204 20.925 1.00 12.89 H new ATOM 0 HA PHE A 3 -1.422 45.956 21.633 1.00 12.07 H new ATOM 0 HB2 PHE A 3 -0.797 43.351 22.497 1.00 11.43 H new ATOM 0 HB3 PHE A 3 -1.662 44.193 23.484 1.00 11.43 H new ATOM 0 HD1 PHE A 3 -3.999 44.729 22.935 1.00 10.89 H new ATOM 0 HD2 PHE A 3 -1.762 42.535 20.395 1.00 12.26 H new ATOM 0 HE1 PHE A 3 -5.921 44.129 21.763 1.00 12.53 H new ATOM 0 HE2 PHE A 3 -3.681 41.933 19.221 1.00 13.36 H new ATOM 0 HZ PHE A 3 -5.762 42.732 19.904 1.00 13.89 H new ATOM 28 N GLY A 4 -0.894 46.874 23.865 1.00 11.65 N ATOM 29 CA GLY A 4 -0.479 47.575 25.070 1.00 11.33 C ATOM 30 C GLY A 4 -0.875 46.710 26.265 1.00 11.42 C ATOM 31 O GLY A 4 -1.878 45.972 26.203 1.00 10.60 O ATOM 0 H GLY A 4 -1.689 47.071 23.603 1.00 11.65 H new ATOM 0 HA2 GLY A 4 0.479 47.728 25.063 1.00 11.33 H new ATOM 0 HA3 GLY A 4 -0.905 48.445 25.122 1.00 11.33 H new ATOM 32 N ARG A 5 -0.087 46.652 27.284 1.00 9.28 N ATOM 33 CA ARG A 5 -0.375 45.768 28.412 1.00 9.47 C ATOM 34 C ARG A 5 -1.881 45.772 28.780 1.00 9.68 C ATOM 35 O ARG A 5 -2.545 44.749 28.759 1.00 9.24 O ATOM 36 CB ARG A 5 0.407 46.183 29.657 1.00 9.88 C ATOM 37 CG ARG A 5 0.256 45.175 30.802 1.00 8.48 C ATOM 38 CD ARG A 5 1.377 45.263 31.831 1.00 8.79 C ATOM 39 NE ARG A 5 1.515 46.606 32.402 1.00 10.38 N ATOM 40 CZ ARG A 5 0.616 47.165 33.221 1.00 8.81 C ATOM 41 NH1 ARG A 5 -0.493 46.506 33.579 1.00 8.70 N ATOM 42 NH2 ARG A 5 0.739 48.392 33.739 1.00 11.30 N ATOM 0 H ARG A 5 0.634 47.113 27.364 1.00 9.28 H new ATOM 0 HA ARG A 5 -0.110 44.879 28.128 1.00 9.47 H new ATOM 0 HB2 ARG A 5 1.346 46.274 29.431 1.00 9.88 H new ATOM 0 HB3 ARG A 5 0.100 47.054 29.953 1.00 9.88 H new ATOM 0 HG2 ARG A 5 -0.594 45.323 31.245 1.00 8.48 H new ATOM 0 HG3 ARG A 5 0.232 44.278 30.434 1.00 8.48 H new ATOM 0 HD2 ARG A 5 1.207 44.628 32.544 1.00 8.79 H new ATOM 0 HD3 ARG A 5 2.214 45.005 31.415 1.00 8.79 H new ATOM 0 HE ARG A 5 2.215 47.062 32.199 1.00 10.38 H new ATOM 0 HH11 ARG A 5 -0.636 45.712 33.282 1.00 8.70 H new ATOM 0 HH12 ARG A 5 -1.062 46.877 34.106 1.00 8.70 H new ATOM 0 HH21 ARG A 5 1.428 48.871 33.550 1.00 11.30 H new ATOM 0 HH22 ARG A 5 0.129 48.702 34.261 1.00 11.30 H new ATOM 43 N CYS A 6 -2.472 46.922 29.135 1.00 9.60 N ATOM 44 CA CYS A 6 -3.907 46.967 29.555 1.00 9.63 C ATOM 45 C CYS A 6 -4.866 46.788 28.384 1.00 9.32 C ATOM 46 O CYS A 6 -6.005 46.329 28.578 1.00 10.09 O ATOM 47 CB CYS A 6 -4.226 48.292 30.234 1.00 11.48 C ATOM 48 SG CYS A 6 -3.386 48.445 31.867 1.00 12.94 S ATOM 0 H CYS A 6 -2.074 47.685 29.143 1.00 9.60 H new ATOM 0 HA CYS A 6 -4.030 46.228 30.171 1.00 9.63 H new ATOM 0 HB2 CYS A 6 -3.952 49.024 29.660 1.00 11.48 H new ATOM 0 HB3 CYS A 6 -5.185 48.371 30.355 1.00 11.48 H new ATOM 49 N GLU A 7 -4.440 47.165 27.190 1.00 9.96 N ATOM 50 CA GLU A 7 -5.242 47.005 25.987 1.00 10.56 C ATOM 51 C GLU A 7 -5.444 45.504 25.780 1.00 9.99 C ATOM 52 O GLU A 7 -6.557 45.050 25.519 1.00 10.23 O ATOM 53 CB GLU A 7 -4.526 47.613 24.786 1.00 10.71 C ATOM 54 CG GLU A 7 -5.287 47.444 23.497 1.00 15.38 C ATOM 55 CD GLU A 7 -4.524 47.920 22.272 1.00 16.01 C ATOM 56 OE1 GLU A 7 -3.277 48.025 22.318 1.00 17.51 O ATOM 57 OE2 GLU A 7 -5.188 48.181 21.250 1.00 19.00 O ATOM 0 H GLU A 7 -3.671 47.524 27.052 1.00 9.96 H new ATOM 0 HA GLU A 7 -6.094 47.459 26.079 1.00 10.56 H new ATOM 0 HB2 GLU A 7 -4.380 48.558 24.948 1.00 10.71 H new ATOM 0 HB3 GLU A 7 -3.652 47.202 24.695 1.00 10.71 H new ATOM 0 HG2 GLU A 7 -5.513 46.507 23.384 1.00 15.38 H new ATOM 0 HG3 GLU A 7 -6.123 47.932 23.558 1.00 15.38 H new ATOM 58 N LEU A 8 -4.366 44.739 25.942 1.00 10.08 N ATOM 59 CA LEU A 8 -4.434 43.284 25.812 1.00 9.61 C ATOM 60 C LEU A 8 -5.280 42.688 26.945 1.00 9.83 C ATOM 61 O LEU A 8 -6.136 41.829 26.703 1.00 8.22 O ATOM 62 CB LEU A 8 -3.026 42.674 25.825 1.00 10.52 C ATOM 63 CG LEU A 8 -2.980 41.147 25.671 1.00 9.68 C ATOM 64 CD1 LEU A 8 -3.579 40.739 24.330 1.00 10.56 C ATOM 65 CD2 LEU A 8 -1.560 40.649 25.787 1.00 8.95 C ATOM 0 H LEU A 8 -3.584 45.044 26.128 1.00 10.08 H new ATOM 0 HA LEU A 8 -4.853 43.072 24.963 1.00 9.61 H new ATOM 0 HB2 LEU A 8 -2.508 43.074 25.109 1.00 10.52 H new ATOM 0 HB3 LEU A 8 -2.591 42.915 26.658 1.00 10.52 H new ATOM 0 HG LEU A 8 -3.504 40.746 26.382 1.00 9.68 H new ATOM 0 HD11 LEU A 8 -3.546 39.774 24.241 1.00 10.56 H new ATOM 0 HD12 LEU A 8 -4.501 41.036 24.283 1.00 10.56 H new ATOM 0 HD13 LEU A 8 -3.072 41.147 23.611 1.00 10.56 H new ATOM 0 HD21 LEU A 8 -1.546 39.684 25.688 1.00 8.95 H new ATOM 0 HD22 LEU A 8 -1.017 41.053 25.092 1.00 8.95 H new ATOM 0 HD23 LEU A 8 -1.203 40.889 26.656 1.00 8.95 H new ATOM 66 N ALA A 9 -5.047 43.153 28.176 1.00 9.39 N ATOM 67 CA ALA A 9 -5.796 42.675 29.338 1.00 9.15 C ATOM 68 C ALA A 9 -7.292 42.835 29.095 1.00 9.99 C ATOM 69 O ALA A 9 -8.075 41.926 29.366 1.00 9.73 O ATOM 70 CB ALA A 9 -5.382 43.434 30.587 1.00 9.52 C ATOM 0 H ALA A 9 -4.455 43.750 28.358 1.00 9.39 H new ATOM 0 HA ALA A 9 -5.597 41.735 29.471 1.00 9.15 H new ATOM 0 HB1 ALA A 9 -5.887 43.106 31.348 1.00 9.52 H new ATOM 0 HB2 ALA A 9 -4.434 43.302 30.747 1.00 9.52 H new ATOM 0 HB3 ALA A 9 -5.560 44.380 30.465 1.00 9.52 H new ATOM 71 N ALA A 10 -7.683 43.991 28.564 1.00 10.00 N ATOM 72 CA ALA A 10 -9.091 44.260 28.277 1.00 10.80 C ATOM 73 C ALA A 10 -9.625 43.296 27.223 1.00 9.59 C ATOM 74 O ALA A 10 -10.705 42.737 27.387 1.00 10.87 O ATOM 75 CB ALA A 10 -9.271 45.699 27.816 1.00 11.38 C ATOM 0 H ALA A 10 -7.148 44.634 28.362 1.00 10.00 H new ATOM 0 HA ALA A 10 -9.597 44.127 29.094 1.00 10.80 H new ATOM 0 HB1 ALA A 10 -10.208 45.864 27.629 1.00 11.38 H new ATOM 0 HB2 ALA A 10 -8.969 46.302 28.513 1.00 11.38 H new ATOM 0 HB3 ALA A 10 -8.750 45.849 27.012 1.00 11.38 H new ATOM 76 N ALA A 11 -8.859 43.109 26.151 1.00 8.70 N ATOM 77 CA ALA A 11 -9.236 42.208 25.064 1.00 9.52 C ATOM 78 C ALA A 11 -9.410 40.773 25.573 1.00 10.57 C ATOM 79 O ALA A 11 -10.394 40.105 25.249 1.00 11.37 O ATOM 80 CB ALA A 11 -8.197 42.262 23.956 1.00 9.17 C ATOM 0 H ALA A 11 -8.103 43.502 26.033 1.00 8.70 H new ATOM 0 HA ALA A 11 -10.089 42.501 24.707 1.00 9.52 H new ATOM 0 HB1 ALA A 11 -8.456 41.661 23.240 1.00 9.17 H new ATOM 0 HB2 ALA A 11 -8.137 43.167 23.612 1.00 9.17 H new ATOM 0 HB3 ALA A 11 -7.334 41.992 24.308 1.00 9.17 H new ATOM 81 N MET A 12 -8.468 40.318 26.400 1.00 10.55 N ATOM 82 CA MET A 12 -8.526 38.970 26.962 1.00 10.01 C ATOM 83 C MET A 12 -9.711 38.811 27.911 1.00 10.26 C ATOM 84 O MET A 12 -10.322 37.745 27.978 1.00 10.56 O ATOM 85 CB MET A 12 -7.223 38.630 27.686 1.00 8.80 C ATOM 86 CG MET A 12 -6.037 38.422 26.768 1.00 8.04 C ATOM 87 SD MET A 12 -4.519 38.058 27.698 1.00 10.55 S ATOM 88 CE MET A 12 -3.615 37.109 26.517 1.00 10.90 C ATOM 0 H MET A 12 -7.785 40.777 26.648 1.00 10.55 H new ATOM 0 HA MET A 12 -8.646 38.352 26.224 1.00 10.01 H new ATOM 0 HB2 MET A 12 -7.015 39.344 28.309 1.00 8.80 H new ATOM 0 HB3 MET A 12 -7.357 37.826 28.211 1.00 8.80 H new ATOM 0 HG2 MET A 12 -6.225 37.692 26.157 1.00 8.04 H new ATOM 0 HG3 MET A 12 -5.903 39.217 26.228 1.00 8.04 H new ATOM 0 HE1 MET A 12 -2.799 36.779 26.924 1.00 10.90 H new ATOM 0 HE2 MET A 12 -4.155 36.359 26.222 1.00 10.90 H new ATOM 0 HE3 MET A 12 -3.393 37.667 25.755 1.00 10.90 H new ATOM 89 N LYS A 13 -10.025 39.869 28.656 1.00 11.07 N ATOM 90 CA LYS A 13 -11.152 39.835 29.579 1.00 14.07 C ATOM 91 C LYS A 13 -12.460 39.689 28.786 1.00 15.10 C ATOM 92 O LYS A 13 -13.364 38.949 29.193 1.00 15.51 O ATOM 93 CB LYS A 13 -11.185 41.106 30.433 1.00 15.62 C ATOM 94 CG LYS A 13 -12.316 41.121 31.454 1.00 17.95 C ATOM 95 CD LYS A 13 -12.430 42.464 32.140 1.00 20.85 C ATOM 96 CE LYS A 13 -13.579 42.472 33.136 1.00 23.51 C ATOM 97 NZ LYS A 13 -13.357 41.508 34.261 1.00 28.06 N ATOM 0 H LYS A 13 -9.597 40.615 28.640 1.00 11.07 H new ATOM 0 HA LYS A 13 -11.052 39.074 30.173 1.00 14.07 H new ATOM 0 HB2 LYS A 13 -10.338 41.198 30.897 1.00 15.62 H new ATOM 0 HB3 LYS A 13 -11.274 41.877 29.851 1.00 15.62 H new ATOM 0 HG2 LYS A 13 -13.154 40.910 31.013 1.00 17.95 H new ATOM 0 HG3 LYS A 13 -12.163 40.430 32.117 1.00 17.95 H new ATOM 0 HD2 LYS A 13 -11.600 42.669 32.598 1.00 20.85 H new ATOM 0 HD3 LYS A 13 -12.567 43.159 31.477 1.00 20.85 H new ATOM 0 HE2 LYS A 13 -13.688 43.367 33.495 1.00 23.51 H new ATOM 0 HE3 LYS A 13 -14.404 42.248 32.678 1.00 23.51 H new ATOM 0 HZ1 LYS A 13 -13.952 41.661 34.905 1.00 28.06 H new ATOM 0 HZ2 LYS A 13 -13.452 40.675 33.962 1.00 28.06 H new ATOM 0 HZ3 LYS A 13 -12.535 41.614 34.585 1.00 28.06 H new ATOM 98 N ARG A 14 -12.551 40.393 27.658 1.00 15.80 N ATOM 99 CA ARG A 14 -13.731 40.327 26.788 1.00 18.05 C ATOM 100 C ARG A 14 -13.912 38.905 26.259 1.00 17.58 C ATOM 101 O ARG A 14 -15.039 38.431 26.093 1.00 18.01 O ATOM 102 CB ARG A 14 -13.575 41.253 25.579 1.00 20.09 C ATOM 103 CG ARG A 14 -13.755 42.732 25.853 1.00 25.50 C ATOM 104 CD ARG A 14 -13.464 43.553 24.596 1.00 28.01 C ATOM 105 NE ARG A 14 -12.638 44.720 24.895 1.00 31.98 N ATOM 106 CZ ARG A 14 -11.669 45.175 24.108 1.00 32.85 C ATOM 107 NH1 ARG A 14 -11.355 44.522 23.000 1.00 35.00 N ATOM 108 NH2 ARG A 14 -11.030 46.296 24.413 1.00 32.92 N ATOM 0 H ARG A 14 -11.934 40.921 27.375 1.00 15.80 H new ATOM 0 HA ARG A 14 -14.497 40.600 27.316 1.00 18.05 H new ATOM 0 HB2 ARG A 14 -12.692 41.117 25.200 1.00 20.09 H new ATOM 0 HB3 ARG A 14 -14.218 40.986 24.903 1.00 20.09 H new ATOM 0 HG2 ARG A 14 -14.661 42.902 26.154 1.00 25.50 H new ATOM 0 HG3 ARG A 14 -13.162 43.008 26.570 1.00 25.50 H new ATOM 0 HD2 ARG A 14 -13.014 42.996 23.942 1.00 28.01 H new ATOM 0 HD3 ARG A 14 -14.300 43.841 24.196 1.00 28.01 H new ATOM 0 HE ARG A 14 -12.789 45.141 25.630 1.00 31.98 H new ATOM 0 HH11 ARG A 14 -11.778 43.803 22.790 1.00 35.00 H new ATOM 0 HH12 ARG A 14 -10.728 44.816 22.490 1.00 35.00 H new ATOM 0 HH21 ARG A 14 -11.242 46.732 25.123 1.00 32.92 H new ATOM 0 HH22 ARG A 14 -10.403 46.587 23.901 1.00 32.92 H new ATOM 109 N HIS A 15 -12.791 38.247 25.966 1.00 16.27 N ATOM 110 CA HIS A 15 -12.801 36.885 25.443 1.00 15.39 C ATOM 111 C HIS A 15 -12.892 35.773 26.484 1.00 14.79 C ATOM 112 O HIS A 15 -12.593 34.619 26.178 1.00 16.47 O ATOM 113 CB HIS A 15 -11.601 36.656 24.526 1.00 16.45 C ATOM 114 CG HIS A 15 -11.705 37.366 23.216 1.00 17.72 C ATOM 115 ND1 HIS A 15 -11.180 38.623 23.007 1.00 19.33 N ATOM 116 CD2 HIS A 15 -12.299 37.009 22.053 1.00 18.25 C ATOM 117 CE1 HIS A 15 -11.450 39.010 21.772 1.00 20.26 C ATOM 118 NE2 HIS A 15 -12.128 38.048 21.173 1.00 19.61 N ATOM 0 H HIS A 15 -12.004 38.579 26.065 1.00 16.27 H new ATOM 0 HA HIS A 15 -13.631 36.823 24.944 1.00 15.39 H new ATOM 0 HB2 HIS A 15 -10.796 36.948 24.981 1.00 16.45 H new ATOM 0 HB3 HIS A 15 -11.505 35.705 24.363 1.00 16.45 H new ATOM 0 HD1 HIS A 15 -10.745 39.083 23.589 1.00 19.33 H new ATOM 0 HD2 HIS A 15 -12.741 36.209 21.882 1.00 18.25 H new ATOM 0 HE1 HIS A 15 -11.204 39.822 21.390 1.00 20.26 H new ATOM 119 N GLY A 16 -13.266 36.131 27.711 1.00 12.98 N ATOM 120 CA GLY A 16 -13.436 35.161 28.785 1.00 13.15 C ATOM 121 C GLY A 16 -12.232 34.472 29.411 1.00 12.62 C ATOM 122 O GLY A 16 -12.388 33.397 29.998 1.00 12.06 O ATOM 0 H GLY A 16 -13.428 36.943 27.942 1.00 12.98 H new ATOM 0 HA2 GLY A 16 -13.912 35.610 29.501 1.00 13.15 H new ATOM 0 HA3 GLY A 16 -14.021 34.464 28.449 1.00 13.15 H new ATOM 123 N LEU A 17 -11.053 35.083 29.330 1.00 11.24 N ATOM 124 CA LEU A 17 -9.864 34.468 29.902 1.00 10.90 C ATOM 125 C LEU A 17 -9.666 34.689 31.388 1.00 11.60 C ATOM 126 O LEU A 17 -8.949 33.922 32.029 1.00 10.96 O ATOM 127 CB LEU A 17 -8.607 34.885 29.150 1.00 10.08 C ATOM 128 CG LEU A 17 -8.423 34.223 27.788 1.00 10.89 C ATOM 129 CD1 LEU A 17 -7.096 34.646 27.211 1.00 10.84 C ATOM 130 CD2 LEU A 17 -8.488 32.707 27.925 1.00 10.56 C ATOM 0 H LEU A 17 -10.923 35.845 28.953 1.00 11.24 H new ATOM 0 HA LEU A 17 -10.021 33.517 29.796 1.00 10.90 H new ATOM 0 HB2 LEU A 17 -8.623 35.847 29.028 1.00 10.08 H new ATOM 0 HB3 LEU A 17 -7.834 34.682 29.700 1.00 10.08 H new ATOM 0 HG LEU A 17 -9.135 34.502 27.192 1.00 10.89 H new ATOM 0 HD11 LEU A 17 -6.972 34.229 26.344 1.00 10.84 H new ATOM 0 HD12 LEU A 17 -7.079 35.611 27.110 1.00 10.84 H new ATOM 0 HD13 LEU A 17 -6.382 34.371 27.807 1.00 10.84 H new ATOM 0 HD21 LEU A 17 -8.370 32.298 27.054 1.00 10.56 H new ATOM 0 HD22 LEU A 17 -7.785 32.405 28.521 1.00 10.56 H new ATOM 0 HD23 LEU A 17 -9.351 32.451 28.287 1.00 10.56 H new ATOM 131 N ASP A 18 -10.307 35.718 31.940 1.00 11.74 N ATOM 132 CA ASP A 18 -10.177 36.010 33.364 1.00 13.27 C ATOM 133 C ASP A 18 -10.785 34.903 34.227 1.00 12.22 C ATOM 134 O ASP A 18 -11.999 34.703 34.242 1.00 14.22 O ATOM 135 CB ASP A 18 -10.800 37.369 33.707 1.00 15.27 C ATOM 136 CG ASP A 18 -10.605 37.756 35.169 1.00 17.93 C ATOM 137 OD1 ASP A 18 -9.576 37.367 35.778 1.00 18.82 O ATOM 138 OD2 ASP A 18 -11.489 38.453 35.712 1.00 21.43 O ATOM 0 H ASP A 18 -10.820 36.257 31.508 1.00 11.74 H new ATOM 0 HA ASP A 18 -9.229 36.050 33.564 1.00 13.27 H new ATOM 0 HB2 ASP A 18 -10.408 38.052 33.141 1.00 15.27 H new ATOM 0 HB3 ASP A 18 -11.749 37.345 33.507 1.00 15.27 H new ATOM 139 N ASN A 19 -9.919 34.196 34.946 1.00 11.79 N ATOM 140 CA ASN A 19 -10.314 33.092 35.817 1.00 12.19 C ATOM 141 C ASN A 19 -10.754 31.853 35.039 1.00 12.08 C ATOM 142 O ASN A 19 -11.340 30.924 35.602 1.00 12.31 O ATOM 143 CB ASN A 19 -11.375 33.533 36.844 1.00 11.55 C ATOM 144 CG ASN A 19 -10.817 34.514 37.873 1.00 13.02 C ATOM 145 OD1 ASN A 19 -9.639 34.449 38.234 1.00 13.87 O ATOM 146 ND2 ASN A 19 -11.655 35.429 38.335 1.00 13.79 N ATOM 0 H ASN A 19 -9.072 34.346 34.942 1.00 11.79 H new ATOM 0 HA ASN A 19 -9.520 32.832 36.311 1.00 12.19 H new ATOM 0 HB2 ASN A 19 -12.120 33.945 36.379 1.00 11.55 H new ATOM 0 HB3 ASN A 19 -11.723 32.752 37.301 1.00 11.55 H new ATOM 0 HD21 ASN A 19 -11.385 36.009 38.910 1.00 13.79 H new ATOM 0 HD22 ASN A 19 -12.470 35.444 38.060 1.00 13.79 H new ATOM 147 N TYR A 20 -10.440 31.835 33.746 1.00 11.27 N ATOM 148 CA TYR A 20 -10.769 30.691 32.910 1.00 11.83 C ATOM 149 C TYR A 20 -9.923 29.511 33.402 1.00 12.21 C ATOM 150 O TYR A 20 -8.691 29.597 33.458 1.00 11.49 O ATOM 151 CB TYR A 20 -10.459 30.980 31.439 1.00 12.30 C ATOM 152 CG TYR A 20 -10.943 29.880 30.530 1.00 12.60 C ATOM 153 CD1 TYR A 20 -12.282 29.806 30.157 1.00 13.60 C ATOM 154 CD2 TYR A 20 -10.080 28.872 30.106 1.00 13.08 C ATOM 155 CE1 TYR A 20 -12.754 28.756 29.389 1.00 14.26 C ATOM 156 CE2 TYR A 20 -10.541 27.810 29.336 1.00 14.25 C ATOM 157 CZ TYR A 20 -11.882 27.758 28.982 1.00 15.55 C ATOM 158 OH TYR A 20 -12.352 26.704 28.226 1.00 16.14 O ATOM 0 H TYR A 20 -10.037 32.475 33.337 1.00 11.27 H new ATOM 0 HA TYR A 20 -11.716 30.492 32.973 1.00 11.83 H new ATOM 0 HB2 TYR A 20 -10.875 31.817 31.181 1.00 12.30 H new ATOM 0 HB3 TYR A 20 -9.502 31.092 31.328 1.00 12.30 H new ATOM 0 HD1 TYR A 20 -12.870 30.474 30.429 1.00 13.60 H new ATOM 0 HD2 TYR A 20 -9.181 28.910 30.342 1.00 13.08 H new ATOM 0 HE1 TYR A 20 -13.651 28.720 29.147 1.00 14.26 H new ATOM 0 HE2 TYR A 20 -9.956 27.141 29.061 1.00 14.25 H new ATOM 0 HH TYR A 20 -11.719 26.180 28.052 1.00 16.14 H new ATOM 159 N ARG A 21 -10.591 28.424 33.782 1.00 13.16 N ATOM 160 CA ARG A 21 -9.911 27.232 34.287 1.00 14.56 C ATOM 161 C ARG A 21 -9.198 27.533 35.615 1.00 13.41 C ATOM 162 O ARG A 21 -8.264 26.824 36.002 1.00 13.64 O ATOM 163 CB ARG A 21 -8.888 26.719 33.260 1.00 17.78 C ATOM 164 CG ARG A 21 -9.085 25.285 32.862 1.00 22.69 C ATOM 165 CD ARG A 21 -10.288 25.141 31.955 1.00 26.73 C ATOM 166 NE ARG A 21 -10.894 23.807 31.974 1.00 31.37 N ATOM 167 CZ ARG A 21 -10.237 22.647 32.035 1.00 33.32 C ATOM 168 NH1 ARG A 21 -8.910 22.598 32.097 1.00 35.58 N ATOM 169 NH2 ARG A 21 -10.920 21.514 31.985 1.00 34.60 N ATOM 0 H ARG A 21 -11.448 28.356 33.755 1.00 13.16 H new ATOM 0 HA ARG A 21 -10.582 26.548 34.438 1.00 14.56 H new ATOM 0 HB2 ARG A 21 -8.935 27.274 32.466 1.00 17.78 H new ATOM 0 HB3 ARG A 21 -7.996 26.823 33.627 1.00 17.78 H new ATOM 0 HG2 ARG A 21 -8.292 24.959 32.409 1.00 22.69 H new ATOM 0 HG3 ARG A 21 -9.204 24.738 33.654 1.00 22.69 H new ATOM 0 HD2 ARG A 21 -10.957 25.794 32.215 1.00 26.73 H new ATOM 0 HD3 ARG A 21 -10.023 25.353 31.046 1.00 26.73 H new ATOM 0 HE ARG A 21 -11.753 23.768 31.943 1.00 31.37 H new ATOM 0 HH11 ARG A 21 -8.452 23.326 32.099 1.00 35.58 H new ATOM 0 HH12 ARG A 21 -8.509 21.838 32.136 1.00 35.58 H new ATOM 0 HH21 ARG A 21 -11.777 21.531 31.914 1.00 34.60 H new ATOM 0 HH22 ARG A 21 -10.507 20.761 32.023 1.00 34.60 H new ATOM 170 N GLY A 22 -9.621 28.607 36.281 1.00 12.06 N ATOM 171 CA GLY A 22 -9.020 29.000 37.546 1.00 12.10 C ATOM 172 C GLY A 22 -7.789 29.881 37.413 1.00 11.73 C ATOM 173 O GLY A 22 -7.123 30.176 38.412 1.00 12.69 O ATOM 0 H GLY A 22 -10.257 29.120 36.013 1.00 12.06 H new ATOM 0 HA2 GLY A 22 -9.684 29.470 38.074 1.00 12.10 H new ATOM 0 HA3 GLY A 22 -8.779 28.200 38.039 1.00 12.10 H new ATOM 174 N TYR A 23 -7.484 30.293 36.181 1.00 10.85 N ATOM 175 CA TYR A 23 -6.326 31.136 35.889 1.00 9.98 C ATOM 176 C TYR A 23 -6.707 32.605 35.731 1.00 8.71 C ATOM 177 O TYR A 23 -7.342 32.995 34.754 1.00 8.91 O ATOM 178 CB TYR A 23 -5.608 30.641 34.629 1.00 10.75 C ATOM 179 CG TYR A 23 -4.929 29.303 34.816 1.00 12.50 C ATOM 180 CD1 TYR A 23 -3.690 29.218 35.454 1.00 14.44 C ATOM 181 CD2 TYR A 23 -5.530 28.120 34.378 1.00 13.41 C ATOM 182 CE1 TYR A 23 -3.064 27.988 35.657 1.00 15.72 C ATOM 183 CE2 TYR A 23 -4.912 26.881 34.578 1.00 13.65 C ATOM 184 CZ TYR A 23 -3.681 26.824 35.216 1.00 15.25 C ATOM 185 OH TYR A 23 -3.048 25.616 35.411 1.00 16.76 O ATOM 0 H TYR A 23 -7.948 30.089 35.487 1.00 10.85 H new ATOM 0 HA TYR A 23 -5.726 31.070 36.649 1.00 9.98 H new ATOM 0 HB2 TYR A 23 -6.249 30.573 33.904 1.00 10.75 H new ATOM 0 HB3 TYR A 23 -4.946 31.298 34.362 1.00 10.75 H new ATOM 0 HD1 TYR A 23 -3.274 29.996 35.749 1.00 14.44 H new ATOM 0 HD2 TYR A 23 -6.353 28.157 33.947 1.00 13.41 H new ATOM 0 HE1 TYR A 23 -2.239 27.947 36.085 1.00 15.72 H new ATOM 0 HE2 TYR A 23 -5.324 26.100 34.285 1.00 13.65 H new ATOM 0 HH TYR A 23 -3.622 25.008 35.492 1.00 16.76 H new ATOM 186 N SER A 24 -6.300 33.412 36.705 1.00 8.57 N ATOM 187 CA SER A 24 -6.591 34.844 36.706 1.00 9.20 C ATOM 188 C SER A 24 -6.076 35.527 35.438 1.00 8.59 C ATOM 189 O SER A 24 -5.134 35.052 34.799 1.00 9.05 O ATOM 190 CB SER A 24 -5.943 35.497 37.924 1.00 8.33 C ATOM 191 OG SER A 24 -4.536 35.373 37.836 1.00 10.25 O ATOM 0 H SER A 24 -5.847 33.146 37.385 1.00 8.57 H new ATOM 0 HA SER A 24 -7.555 34.950 36.738 1.00 9.20 H new ATOM 0 HB2 SER A 24 -6.192 36.433 37.972 1.00 8.33 H new ATOM 0 HB3 SER A 24 -6.264 35.076 38.737 1.00 8.33 H new ATOM 0 HG SER A 24 -4.186 36.136 37.849 1.00 10.25 H new ATOM 192 N LEU A 25 -6.673 36.668 35.112 1.00 8.34 N ATOM 193 CA LEU A 25 -6.291 37.439 33.937 1.00 8.13 C ATOM 194 C LEU A 25 -4.793 37.750 33.913 1.00 7.23 C ATOM 195 O LEU A 25 -4.155 37.685 32.861 1.00 8.05 O ATOM 196 CB LEU A 25 -7.097 38.735 33.891 1.00 9.70 C ATOM 197 CG LEU A 25 -6.970 39.567 32.617 1.00 11.29 C ATOM 198 CD1 LEU A 25 -7.419 38.751 31.403 1.00 10.92 C ATOM 199 CD2 LEU A 25 -7.802 40.833 32.765 1.00 11.35 C ATOM 0 H LEU A 25 -7.313 37.017 35.568 1.00 8.34 H new ATOM 0 HA LEU A 25 -6.485 36.901 33.154 1.00 8.13 H new ATOM 0 HB2 LEU A 25 -8.033 38.516 34.019 1.00 9.70 H new ATOM 0 HB3 LEU A 25 -6.829 39.287 34.643 1.00 9.70 H new ATOM 0 HG LEU A 25 -6.042 39.815 32.478 1.00 11.29 H new ATOM 0 HD11 LEU A 25 -7.334 39.290 30.601 1.00 10.92 H new ATOM 0 HD12 LEU A 25 -6.864 37.960 31.321 1.00 10.92 H new ATOM 0 HD13 LEU A 25 -8.345 38.485 31.516 1.00 10.92 H new ATOM 0 HD21 LEU A 25 -7.726 41.367 31.959 1.00 11.35 H new ATOM 0 HD22 LEU A 25 -8.731 40.595 32.908 1.00 11.35 H new ATOM 0 HD23 LEU A 25 -7.480 41.345 33.523 1.00 11.35 H new ATOM 200 N GLY A 26 -4.236 38.059 35.084 1.00 6.15 N ATOM 201 CA GLY A 26 -2.818 38.362 35.189 1.00 6.18 C ATOM 202 C GLY A 26 -1.924 37.266 34.642 1.00 4.96 C ATOM 203 O GLY A 26 -0.865 37.548 34.091 1.00 5.70 O ATOM 0 H GLY A 26 -4.666 38.098 35.828 1.00 6.15 H new ATOM 0 HA2 GLY A 26 -2.635 39.187 34.713 1.00 6.18 H new ATOM 0 HA3 GLY A 26 -2.596 38.516 36.120 1.00 6.18 H new ATOM 204 N ASN A 27 -2.335 36.013 34.829 1.00 6.17 N ATOM 205 CA ASN A 27 -1.580 34.859 34.331 1.00 6.16 C ATOM 206 C ASN A 27 -1.483 34.889 32.811 1.00 5.12 C ATOM 207 O ASN A 27 -0.421 34.617 32.233 1.00 6.62 O ATOM 208 CB ASN A 27 -2.260 33.550 34.746 1.00 6.45 C ATOM 209 CG ASN A 27 -1.834 33.082 36.116 1.00 6.42 C ATOM 210 OD1 ASN A 27 -0.663 32.777 36.340 1.00 6.64 O ATOM 211 ND2 ASN A 27 -2.786 33.017 37.040 1.00 10.06 N ATOM 0 H ASN A 27 -3.058 35.806 35.247 1.00 6.17 H new ATOM 0 HA ASN A 27 -0.691 34.906 34.716 1.00 6.16 H new ATOM 0 HB2 ASN A 27 -3.222 33.672 34.735 1.00 6.45 H new ATOM 0 HB3 ASN A 27 -2.053 32.862 34.094 1.00 6.45 H new ATOM 0 HD21 ASN A 27 -2.595 32.753 37.836 1.00 10.06 H new ATOM 0 HD22 ASN A 27 -3.593 33.239 36.842 1.00 10.06 H new ATOM 212 N TRP A 28 -2.611 35.217 32.182 1.00 5.05 N ATOM 213 CA TRP A 28 -2.720 35.290 30.730 1.00 5.36 C ATOM 214 C TRP A 28 -1.917 36.445 30.120 1.00 4.97 C ATOM 215 O TRP A 28 -1.252 36.275 29.095 1.00 6.10 O ATOM 216 CB TRP A 28 -4.197 35.360 30.332 1.00 4.64 C ATOM 217 CG TRP A 28 -4.963 34.124 30.729 1.00 6.15 C ATOM 218 CD1 TRP A 28 -5.819 33.988 31.783 1.00 7.61 C ATOM 219 CD2 TRP A 28 -4.929 32.846 30.072 1.00 7.69 C ATOM 220 NE1 TRP A 28 -6.325 32.705 31.825 1.00 9.23 N ATOM 221 CE2 TRP A 28 -5.796 31.984 30.787 1.00 9.02 C ATOM 222 CE3 TRP A 28 -4.254 32.349 28.950 1.00 8.03 C ATOM 223 CZ2 TRP A 28 -6.004 30.645 30.414 1.00 9.56 C ATOM 224 CZ3 TRP A 28 -4.462 31.015 28.579 1.00 9.79 C ATOM 225 CH2 TRP A 28 -5.331 30.183 29.312 1.00 8.16 C ATOM 0 H TRP A 28 -3.342 35.405 32.594 1.00 5.05 H new ATOM 0 HA TRP A 28 -2.325 34.482 30.365 1.00 5.36 H new ATOM 0 HB2 TRP A 28 -4.604 36.136 30.748 1.00 4.64 H new ATOM 0 HB3 TRP A 28 -4.264 35.484 29.372 1.00 4.64 H new ATOM 0 HD1 TRP A 28 -6.031 34.663 32.386 1.00 7.61 H new ATOM 0 HE1 TRP A 28 -6.882 32.406 32.408 1.00 9.23 H new ATOM 0 HE3 TRP A 28 -3.680 32.894 28.462 1.00 8.03 H new ATOM 0 HZ2 TRP A 28 -6.576 30.093 30.896 1.00 9.56 H new ATOM 0 HZ3 TRP A 28 -4.019 30.673 27.836 1.00 9.79 H new ATOM 0 HH2 TRP A 28 -5.451 29.301 29.043 1.00 8.16 H new ATOM 226 N VAL A 29 -1.954 37.606 30.771 1.00 5.77 N ATOM 227 CA VAL A 29 -1.205 38.766 30.293 1.00 5.29 C ATOM 228 C VAL A 29 0.289 38.476 30.459 1.00 4.30 C ATOM 229 O VAL A 29 1.091 38.770 29.574 1.00 5.80 O ATOM 230 CB VAL A 29 -1.593 40.035 31.069 1.00 6.01 C ATOM 231 CG1 VAL A 29 -0.726 41.204 30.640 1.00 7.06 C ATOM 232 CG2 VAL A 29 -3.071 40.347 30.845 1.00 7.43 C ATOM 0 H VAL A 29 -2.406 37.743 31.490 1.00 5.77 H new ATOM 0 HA VAL A 29 -1.414 38.923 29.359 1.00 5.29 H new ATOM 0 HB VAL A 29 -1.447 39.884 32.016 1.00 6.01 H new ATOM 0 HG11 VAL A 29 -0.982 41.997 31.137 1.00 7.06 H new ATOM 0 HG12 VAL A 29 0.205 40.998 30.817 1.00 7.06 H new ATOM 0 HG13 VAL A 29 -0.846 41.365 29.691 1.00 7.06 H new ATOM 0 HG21 VAL A 29 -3.311 41.148 31.336 1.00 7.43 H new ATOM 0 HG22 VAL A 29 -3.232 40.488 29.899 1.00 7.43 H new ATOM 0 HG23 VAL A 29 -3.610 39.603 31.157 1.00 7.43 H new ATOM 233 N CYS A 30 0.648 37.873 31.591 1.00 4.95 N ATOM 234 CA CYS A 30 2.039 37.515 31.855 1.00 5.69 C ATOM 235 C CYS A 30 2.547 36.514 30.800 1.00 5.31 C ATOM 236 O CYS A 30 3.668 36.645 30.299 1.00 6.16 O ATOM 237 CB CYS A 30 2.190 36.925 33.266 1.00 5.98 C ATOM 238 SG CYS A 30 3.922 36.618 33.758 1.00 9.39 S ATOM 0 H CYS A 30 0.100 37.663 32.219 1.00 4.95 H new ATOM 0 HA CYS A 30 2.575 38.321 31.801 1.00 5.69 H new ATOM 0 HB2 CYS A 30 1.784 37.531 33.906 1.00 5.98 H new ATOM 0 HB3 CYS A 30 1.697 36.091 33.313 1.00 5.98 H new ATOM 239 N ALA A 31 1.720 35.520 30.474 1.00 6.06 N ATOM 240 CA ALA A 31 2.084 34.518 29.473 1.00 6.22 C ATOM 241 C ALA A 31 2.325 35.200 28.131 1.00 5.03 C ATOM 242 O ALA A 31 3.345 34.981 27.496 1.00 5.77 O ATOM 243 CB ALA A 31 0.985 33.460 29.341 1.00 6.66 C ATOM 0 H ALA A 31 0.942 35.409 30.822 1.00 6.06 H new ATOM 0 HA ALA A 31 2.898 34.073 29.757 1.00 6.22 H new ATOM 0 HB1 ALA A 31 1.244 32.805 28.674 1.00 6.66 H new ATOM 0 HB2 ALA A 31 0.857 33.018 30.195 1.00 6.66 H new ATOM 0 HB3 ALA A 31 0.156 33.886 29.071 1.00 6.66 H new ATOM 244 N ALA A 32 1.394 36.054 27.722 1.00 6.14 N ATOM 245 CA ALA A 32 1.523 36.769 26.453 1.00 7.09 C ATOM 246 C ALA A 32 2.775 37.658 26.419 1.00 7.54 C ATOM 247 O ALA A 32 3.450 37.752 25.393 1.00 7.48 O ATOM 248 CB ALA A 32 0.269 37.600 26.183 1.00 7.64 C ATOM 0 H ALA A 32 0.678 36.235 28.163 1.00 6.14 H new ATOM 0 HA ALA A 32 1.621 36.105 25.752 1.00 7.09 H new ATOM 0 HB1 ALA A 32 0.367 38.069 25.340 1.00 7.64 H new ATOM 0 HB2 ALA A 32 -0.504 37.015 26.140 1.00 7.64 H new ATOM 0 HB3 ALA A 32 0.147 38.244 26.898 1.00 7.64 H new ATOM 249 N LYS A 33 3.094 38.287 27.551 1.00 7.60 N ATOM 250 CA LYS A 33 4.263 39.153 27.636 1.00 7.29 C ATOM 251 C LYS A 33 5.549 38.394 27.344 1.00 7.35 C ATOM 252 O LYS A 33 6.343 38.807 26.501 1.00 8.33 O ATOM 253 CB LYS A 33 4.357 39.794 29.024 1.00 8.95 C ATOM 254 CG LYS A 33 5.641 40.586 29.261 1.00 11.90 C ATOM 255 CD LYS A 33 5.697 41.835 28.392 1.00 15.10 C ATOM 256 CE LYS A 33 6.999 42.595 28.608 1.00 16.93 C ATOM 257 NZ LYS A 33 7.030 43.829 27.782 1.00 20.87 N ATOM 0 H LYS A 33 2.643 38.223 28.281 1.00 7.60 H new ATOM 0 HA LYS A 33 4.156 39.844 26.964 1.00 7.29 H new ATOM 0 HB2 LYS A 33 3.597 40.384 29.149 1.00 8.95 H new ATOM 0 HB3 LYS A 33 4.289 39.098 29.696 1.00 8.95 H new ATOM 0 HG2 LYS A 33 5.699 40.838 30.196 1.00 11.90 H new ATOM 0 HG3 LYS A 33 6.408 40.024 29.071 1.00 11.90 H new ATOM 0 HD2 LYS A 33 5.615 41.587 27.458 1.00 15.10 H new ATOM 0 HD3 LYS A 33 4.945 42.411 28.599 1.00 15.10 H new ATOM 0 HE2 LYS A 33 7.093 42.825 29.546 1.00 16.93 H new ATOM 0 HE3 LYS A 33 7.752 42.028 28.379 1.00 16.93 H new ATOM 0 HZ1 LYS A 33 7.669 44.371 28.082 1.00 20.87 H new ATOM 0 HZ2 LYS A 33 7.196 43.615 26.934 1.00 20.87 H new ATOM 0 HZ3 LYS A 33 6.243 44.241 27.834 1.00 20.87 H new ATOM 258 N PHE A 34 5.728 37.262 28.018 1.00 7.45 N ATOM 259 CA PHE A 34 6.937 36.471 27.856 1.00 8.72 C ATOM 260 C PHE A 34 6.988 35.517 26.672 1.00 8.20 C ATOM 261 O PHE A 34 8.069 35.100 26.264 1.00 9.95 O ATOM 262 CB PHE A 34 7.299 35.808 29.181 1.00 8.99 C ATOM 263 CG PHE A 34 7.560 36.807 30.269 1.00 10.30 C ATOM 264 CD1 PHE A 34 8.542 37.784 30.098 1.00 13.02 C ATOM 265 CD2 PHE A 34 6.790 36.831 31.424 1.00 11.56 C ATOM 266 CE1 PHE A 34 8.753 38.776 31.063 1.00 12.81 C ATOM 267 CE2 PHE A 34 6.992 37.816 32.395 1.00 11.33 C ATOM 268 CZ PHE A 34 7.977 38.790 32.210 1.00 11.93 C ATOM 0 H PHE A 34 5.159 36.936 28.574 1.00 7.45 H new ATOM 0 HA PHE A 34 7.626 37.107 27.608 1.00 8.72 H new ATOM 0 HB2 PHE A 34 6.578 35.219 29.453 1.00 8.99 H new ATOM 0 HB3 PHE A 34 8.086 35.255 29.058 1.00 8.99 H new ATOM 0 HD1 PHE A 34 9.065 37.776 29.329 1.00 13.02 H new ATOM 0 HD2 PHE A 34 6.133 36.185 31.553 1.00 11.56 H new ATOM 0 HE1 PHE A 34 9.410 39.421 30.935 1.00 12.81 H new ATOM 0 HE2 PHE A 34 6.470 37.823 33.165 1.00 11.33 H new ATOM 0 HZ PHE A 34 8.111 39.446 32.856 1.00 11.93 H new ATOM 269 N GLU A 35 5.833 35.210 26.088 1.00 7.63 N ATOM 270 CA GLU A 35 5.794 34.345 24.911 1.00 7.09 C ATOM 271 C GLU A 35 6.033 35.141 23.614 1.00 8.28 C ATOM 272 O GLU A 35 6.844 34.746 22.770 1.00 8.86 O ATOM 273 CB GLU A 35 4.439 33.624 24.803 1.00 8.02 C ATOM 274 CG GLU A 35 4.188 32.515 25.824 1.00 8.44 C ATOM 275 CD GLU A 35 5.086 31.304 25.639 1.00 10.05 C ATOM 276 OE1 GLU A 35 5.799 31.216 24.617 1.00 12.64 O ATOM 277 OE2 GLU A 35 5.075 30.429 26.523 1.00 11.23 O ATOM 0 H GLU A 35 5.065 35.490 26.355 1.00 7.63 H new ATOM 0 HA GLU A 35 6.505 33.694 25.019 1.00 7.09 H new ATOM 0 HB2 GLU A 35 3.734 34.284 24.889 1.00 8.02 H new ATOM 0 HB3 GLU A 35 4.365 33.244 23.914 1.00 8.02 H new ATOM 0 HG2 GLU A 35 4.319 32.872 26.717 1.00 8.44 H new ATOM 0 HG3 GLU A 35 3.262 32.234 25.764 1.00 8.44 H new ATOM 278 N SER A 36 5.376 36.295 23.491 1.00 9.03 N ATOM 279 CA SER A 36 5.460 37.099 22.266 1.00 9.41 C ATOM 280 C SER A 36 5.743 38.584 22.447 1.00 10.00 C ATOM 281 O SER A 36 5.808 39.321 21.457 1.00 10.20 O ATOM 282 CB SER A 36 4.128 37.001 21.529 1.00 7.67 C ATOM 283 OG SER A 36 3.123 37.690 22.265 1.00 8.88 O ATOM 0 H SER A 36 4.876 36.631 24.104 1.00 9.03 H new ATOM 0 HA SER A 36 6.218 36.729 21.787 1.00 9.41 H new ATOM 0 HB2 SER A 36 4.210 37.383 20.641 1.00 7.67 H new ATOM 0 HB3 SER A 36 3.878 36.071 21.416 1.00 7.67 H new ATOM 0 HG SER A 36 2.613 37.133 22.633 1.00 8.88 H new ATOM 284 N ASN A 37 5.837 39.032 23.697 1.00 10.03 N ATOM 285 CA ASN A 37 6.065 40.444 23.996 1.00 11.36 C ATOM 286 C ASN A 37 4.911 41.275 23.421 1.00 11.22 C ATOM 287 O ASN A 37 5.119 42.352 22.848 1.00 12.05 O ATOM 288 CB ASN A 37 7.411 40.913 23.435 1.00 14.01 C ATOM 289 CG ASN A 37 7.937 42.148 24.142 1.00 17.77 C ATOM 290 OD1 ASN A 37 7.613 42.397 25.309 1.00 19.69 O ATOM 291 ND2 ASN A 37 8.743 42.939 23.435 1.00 19.39 N ATOM 0 H ASN A 37 5.771 38.529 24.392 1.00 10.03 H new ATOM 0 HA ASN A 37 6.095 40.564 24.958 1.00 11.36 H new ATOM 0 HB2 ASN A 37 8.059 40.196 23.517 1.00 14.01 H new ATOM 0 HB3 ASN A 37 7.315 41.102 22.488 1.00 14.01 H new ATOM 0 HD21 ASN A 37 9.060 43.656 23.788 1.00 19.39 H new ATOM 0 HD22 ASN A 37 8.946 42.733 22.625 1.00 19.39 H new ATOM 292 N PHE A 38 3.696 40.743 23.571 1.00 9.78 N ATOM 293 CA PHE A 38 2.457 41.367 23.098 1.00 10.50 C ATOM 294 C PHE A 38 2.403 41.593 21.581 1.00 10.41 C ATOM 295 O PHE A 38 1.585 42.379 21.105 1.00 11.74 O ATOM 296 CB PHE A 38 2.201 42.701 23.818 1.00 10.23 C ATOM 297 CG PHE A 38 2.144 42.593 25.318 1.00 11.29 C ATOM 298 CD1 PHE A 38 1.669 41.441 25.938 1.00 10.84 C ATOM 299 CD2 PHE A 38 2.561 43.658 26.114 1.00 11.71 C ATOM 300 CE1 PHE A 38 1.609 41.349 27.331 1.00 11.24 C ATOM 301 CE2 PHE A 38 2.506 43.579 27.504 1.00 11.82 C ATOM 302 CZ PHE A 38 2.028 42.421 28.116 1.00 12.23 C ATOM 0 H PHE A 38 3.566 39.988 23.962 1.00 9.78 H new ATOM 0 HA PHE A 38 1.759 40.728 23.312 1.00 10.50 H new ATOM 0 HB2 PHE A 38 2.901 43.327 23.576 1.00 10.23 H new ATOM 0 HB3 PHE A 38 1.364 43.074 23.499 1.00 10.23 H new ATOM 0 HD1 PHE A 38 1.388 40.723 25.418 1.00 10.84 H new ATOM 0 HD2 PHE A 38 2.881 44.433 25.712 1.00 11.71 H new ATOM 0 HE1 PHE A 38 1.290 40.574 27.733 1.00 11.24 H new ATOM 0 HE2 PHE A 38 2.788 44.298 28.023 1.00 11.82 H new ATOM 0 HZ PHE A 38 1.989 42.364 29.043 1.00 12.23 H new ATOM 303 N ASN A 39 3.259 40.900 20.835 1.00 9.74 N ATOM 304 CA ASN A 39 3.313 41.031 19.378 1.00 9.18 C ATOM 305 C ASN A 39 2.507 39.914 18.705 1.00 10.05 C ATOM 306 O ASN A 39 2.890 38.742 18.761 1.00 9.29 O ATOM 307 CB ASN A 39 4.774 40.982 18.930 1.00 10.07 C ATOM 308 CG ASN A 39 4.946 41.216 17.452 1.00 10.78 C ATOM 309 OD1 ASN A 39 3.977 41.414 16.715 1.00 13.16 O ATOM 310 ND2 ASN A 39 6.192 41.196 17.005 1.00 14.11 N ATOM 0 H ASN A 39 3.826 40.340 21.158 1.00 9.74 H new ATOM 0 HA ASN A 39 2.921 41.879 19.115 1.00 9.18 H new ATOM 0 HB2 ASN A 39 5.279 41.650 19.419 1.00 10.07 H new ATOM 0 HB3 ASN A 39 5.149 40.118 19.161 1.00 10.07 H new ATOM 0 HD21 ASN A 39 6.351 41.324 16.170 1.00 14.11 H new ATOM 0 HD22 ASN A 39 6.842 41.055 17.550 1.00 14.11 H new ATOM 311 N THR A 40 1.413 40.287 18.039 1.00 10.29 N ATOM 312 CA THR A 40 0.546 39.311 17.374 1.00 11.89 C ATOM 313 C THR A 40 1.212 38.594 16.205 1.00 12.27 C ATOM 314 O THR A 40 0.774 37.521 15.797 1.00 13.03 O ATOM 315 CB THR A 40 -0.757 39.952 16.851 1.00 13.30 C ATOM 316 OG1 THR A 40 -0.445 40.920 15.842 1.00 13.94 O ATOM 317 CG2 THR A 40 -1.536 40.615 17.985 1.00 12.74 C ATOM 0 H THR A 40 1.154 41.103 17.960 1.00 10.29 H new ATOM 0 HA THR A 40 0.350 38.661 18.067 1.00 11.89 H new ATOM 0 HB THR A 40 -1.312 39.253 16.472 1.00 13.30 H new ATOM 0 HG1 THR A 40 -0.858 40.731 15.135 1.00 13.94 H new ATOM 0 HG21 THR A 40 -2.349 41.010 17.632 1.00 12.74 H new ATOM 0 HG22 THR A 40 -1.764 39.950 18.653 1.00 12.74 H new ATOM 0 HG23 THR A 40 -0.991 41.307 18.391 1.00 12.74 H new ATOM 318 N GLN A 41 2.258 39.199 15.660 1.00 12.76 N ATOM 319 CA GLN A 41 2.953 38.606 14.535 1.00 15.33 C ATOM 320 C GLN A 41 4.175 37.792 14.923 1.00 14.76 C ATOM 321 O GLN A 41 4.941 37.370 14.057 1.00 15.83 O ATOM 322 CB GLN A 41 3.313 39.681 13.507 1.00 17.14 C ATOM 323 CG GLN A 41 2.077 40.347 12.905 1.00 23.31 C ATOM 324 CD GLN A 41 2.372 41.166 11.660 1.00 26.59 C ATOM 325 OE1 GLN A 41 3.511 41.575 11.420 1.00 29.51 O ATOM 326 NE2 GLN A 41 1.338 41.412 10.859 1.00 28.25 N ATOM 0 H GLN A 41 2.579 39.951 15.927 1.00 12.76 H new ATOM 0 HA GLN A 41 2.336 37.972 14.138 1.00 15.33 H new ATOM 0 HB2 GLN A 41 3.868 40.356 13.929 1.00 17.14 H new ATOM 0 HB3 GLN A 41 3.841 39.283 12.797 1.00 17.14 H new ATOM 0 HG2 GLN A 41 1.425 39.663 12.686 1.00 23.31 H new ATOM 0 HG3 GLN A 41 1.671 40.922 13.573 1.00 23.31 H new ATOM 0 HE21 GLN A 41 0.558 41.110 11.059 1.00 28.25 H new ATOM 0 HE22 GLN A 41 1.450 41.873 10.141 1.00 28.25 H new ATOM 327 N ALA A 42 4.334 37.534 16.219 1.00 13.89 N ATOM 328 CA ALA A 42 5.472 36.761 16.701 1.00 14.24 C ATOM 329 C ALA A 42 5.468 35.309 16.186 1.00 14.09 C ATOM 330 O ALA A 42 4.435 34.637 16.202 1.00 13.10 O ATOM 331 CB ALA A 42 5.511 36.786 18.227 1.00 14.10 C ATOM 0 H ALA A 42 3.794 37.798 16.834 1.00 13.89 H new ATOM 0 HA ALA A 42 6.273 37.179 16.347 1.00 14.24 H new ATOM 0 HB1 ALA A 42 6.270 36.270 18.540 1.00 14.10 H new ATOM 0 HB2 ALA A 42 5.595 37.702 18.534 1.00 14.10 H new ATOM 0 HB3 ALA A 42 4.693 36.402 18.578 1.00 14.10 H new ATOM 332 N THR A 43 6.616 34.866 15.675 1.00 15.23 N ATOM 333 CA THR A 43 6.790 33.495 15.178 1.00 17.12 C ATOM 334 C THR A 43 8.130 32.974 15.659 1.00 17.96 C ATOM 335 O THR A 43 9.124 33.695 15.637 1.00 19.62 O ATOM 336 CB THR A 43 6.801 33.387 13.622 1.00 16.80 C ATOM 337 OG1 THR A 43 7.868 34.177 13.087 1.00 19.66 O ATOM 338 CG2 THR A 43 5.475 33.822 13.022 1.00 16.39 C ATOM 0 H THR A 43 7.321 35.353 15.605 1.00 15.23 H new ATOM 0 HA THR A 43 6.035 32.986 15.512 1.00 17.12 H new ATOM 0 HB THR A 43 6.939 32.456 13.387 1.00 16.80 H new ATOM 0 HG1 THR A 43 7.871 34.114 12.249 1.00 19.66 H new ATOM 0 HG21 THR A 43 5.515 33.743 12.056 1.00 16.39 H new ATOM 0 HG22 THR A 43 4.764 33.257 13.363 1.00 16.39 H new ATOM 0 HG23 THR A 43 5.298 34.745 13.263 1.00 16.39 H new ATOM 339 N ASN A 44 8.156 31.719 16.091 1.00 18.28 N ATOM 340 CA ASN A 44 9.387 31.096 16.562 1.00 19.44 C ATOM 341 C ASN A 44 9.482 29.698 15.964 1.00 19.74 C ATOM 342 O ASN A 44 8.643 28.844 16.239 1.00 17.49 O ATOM 343 CB ASN A 44 9.404 31.033 18.097 1.00 20.79 C ATOM 344 CG ASN A 44 10.661 30.378 18.650 1.00 23.25 C ATOM 345 OD1 ASN A 44 11.733 30.986 18.692 1.00 25.75 O ATOM 346 ND2 ASN A 44 10.529 29.132 19.089 1.00 25.17 N ATOM 0 H ASN A 44 7.466 31.207 16.120 1.00 18.28 H new ATOM 0 HA ASN A 44 10.151 31.623 16.281 1.00 19.44 H new ATOM 0 HB2 ASN A 44 9.330 31.932 18.454 1.00 20.79 H new ATOM 0 HB3 ASN A 44 8.627 30.541 18.404 1.00 20.79 H new ATOM 0 HD21 ASN A 44 11.207 28.718 19.418 1.00 25.17 H new ATOM 0 HD22 ASN A 44 9.765 28.739 19.044 1.00 25.17 H new ATOM 347 N ARG A 45 10.481 29.494 15.109 1.00 22.16 N ATOM 348 CA ARG A 45 10.705 28.204 14.461 1.00 26.21 C ATOM 349 C ARG A 45 11.459 27.297 15.432 1.00 26.79 C ATOM 350 O ARG A 45 12.516 27.674 15.938 1.00 27.72 O ATOM 351 CB ARG A 45 11.543 28.385 13.187 1.00 28.67 C ATOM 352 CG ARG A 45 11.038 29.474 12.250 1.00 34.59 C ATOM 353 CD ARG A 45 10.068 28.940 11.189 1.00 39.49 C ATOM 354 NE ARG A 45 10.684 28.865 9.861 1.00 44.98 N ATOM 355 CZ ARG A 45 11.049 29.923 9.137 1.00 47.50 C ATOM 356 NH1 ARG A 45 10.850 31.158 9.593 1.00 50.27 N ATOM 357 NH2 ARG A 45 11.600 29.755 7.944 1.00 47.79 N ATOM 0 H ARG A 45 11.049 30.101 14.888 1.00 22.16 H new ATOM 0 HA ARG A 45 9.851 27.812 14.221 1.00 26.21 H new ATOM 0 HB2 ARG A 45 12.457 28.590 13.441 1.00 28.67 H new ATOM 0 HB3 ARG A 45 11.564 27.543 12.705 1.00 28.67 H new ATOM 0 HG2 ARG A 45 10.595 30.163 12.770 1.00 34.59 H new ATOM 0 HG3 ARG A 45 11.794 29.893 11.810 1.00 34.59 H new ATOM 0 HD2 ARG A 45 9.759 28.058 11.450 1.00 39.49 H new ATOM 0 HD3 ARG A 45 9.287 29.514 11.149 1.00 39.49 H new ATOM 0 HE ARG A 45 10.819 28.085 9.526 1.00 44.98 H new ATOM 0 HH11 ARG A 45 10.483 31.279 10.361 1.00 50.27 H new ATOM 0 HH12 ARG A 45 11.089 31.835 9.119 1.00 50.27 H new ATOM 0 HH21 ARG A 45 11.723 28.962 7.635 1.00 47.79 H new ATOM 0 HH22 ARG A 45 11.835 30.439 7.479 1.00 47.79 H new ATOM 358 N ASN A 46 10.899 26.122 15.716 1.00 26.99 N ATOM 359 CA ASN A 46 11.536 25.162 16.616 1.00 27.16 C ATOM 360 C ASN A 46 12.434 24.223 15.811 1.00 27.62 C ATOM 361 O ASN A 46 12.364 24.190 14.580 1.00 27.82 O ATOM 362 CB ASN A 46 10.484 24.365 17.400 1.00 26.66 C ATOM 363 CG ASN A 46 9.703 25.230 18.392 1.00 26.49 C ATOM 364 OD1 ASN A 46 10.285 25.948 19.204 1.00 27.05 O ATOM 365 ND2 ASN A 46 8.380 25.145 18.331 1.00 25.11 N ATOM 0 H ASN A 46 10.145 25.861 15.395 1.00 26.99 H new ATOM 0 HA ASN A 46 12.078 25.647 17.258 1.00 27.16 H new ATOM 0 HB2 ASN A 46 9.864 23.955 16.777 1.00 26.66 H new ATOM 0 HB3 ASN A 46 10.922 23.645 17.880 1.00 26.66 H new ATOM 0 HD21 ASN A 46 7.894 25.603 18.873 1.00 25.11 H new ATOM 0 HD22 ASN A 46 8.008 24.632 17.749 1.00 25.11 H new ATOM 366 N THR A 47 13.272 23.457 16.500 1.00 28.36 N ATOM 367 CA THR A 47 14.191 22.540 15.822 1.00 29.07 C ATOM 368 C THR A 47 13.574 21.235 15.312 1.00 29.73 C ATOM 369 O THR A 47 14.162 20.553 14.470 1.00 31.44 O ATOM 370 CB THR A 47 15.407 22.221 16.705 1.00 28.83 C ATOM 371 OG1 THR A 47 14.964 21.745 17.983 1.00 28.80 O ATOM 372 CG2 THR A 47 16.247 23.471 16.899 1.00 28.41 C ATOM 0 H THR A 47 13.327 23.451 17.358 1.00 28.36 H new ATOM 0 HA THR A 47 14.460 23.029 15.029 1.00 29.07 H new ATOM 0 HB THR A 47 15.942 21.538 16.271 1.00 28.83 H new ATOM 0 HG1 THR A 47 15.630 21.570 18.463 1.00 28.80 H new ATOM 0 HG21 THR A 47 17.013 23.263 17.457 1.00 28.41 H new ATOM 0 HG22 THR A 47 16.554 23.792 16.037 1.00 28.41 H new ATOM 0 HG23 THR A 47 15.712 24.157 17.328 1.00 28.41 H new ATOM 373 N ASP A 48 12.384 20.906 15.803 1.00 28.65 N ATOM 374 CA ASP A 48 11.687 19.684 15.402 1.00 27.67 C ATOM 375 C ASP A 48 10.809 19.840 14.153 1.00 26.04 C ATOM 376 O ASP A 48 10.028 18.948 13.814 1.00 26.90 O ATOM 377 CB ASP A 48 10.855 19.147 16.575 1.00 29.08 C ATOM 378 CG ASP A 48 9.848 20.166 17.114 1.00 30.60 C ATOM 379 OD1 ASP A 48 9.689 21.258 16.522 1.00 29.51 O ATOM 380 OD2 ASP A 48 9.206 19.863 18.143 1.00 31.48 O ATOM 0 H ASP A 48 11.957 21.383 16.377 1.00 28.65 H new ATOM 0 HA ASP A 48 12.378 19.048 15.159 1.00 27.67 H new ATOM 0 HB2 ASP A 48 10.380 18.351 16.290 1.00 29.08 H new ATOM 0 HB3 ASP A 48 11.451 18.880 17.292 1.00 29.08 H new ATOM 381 N GLY A 49 10.931 20.980 13.482 1.00 23.89 N ATOM 382 CA GLY A 49 10.149 21.220 12.283 1.00 21.68 C ATOM 383 C GLY A 49 8.889 22.033 12.504 1.00 19.52 C ATOM 384 O GLY A 49 8.291 22.513 11.542 1.00 19.69 O ATOM 0 H GLY A 49 11.458 21.622 13.705 1.00 23.89 H new ATOM 0 HA2 GLY A 49 10.706 21.678 11.634 1.00 21.68 H new ATOM 0 HA3 GLY A 49 9.905 20.366 11.894 1.00 21.68 H new ATOM 385 N SER A 50 8.476 22.179 13.761 1.00 17.24 N ATOM 386 CA SER A 50 7.276 22.950 14.081 1.00 14.72 C ATOM 387 C SER A 50 7.610 24.422 14.300 1.00 13.09 C ATOM 388 O SER A 50 8.779 24.804 14.373 1.00 12.75 O ATOM 389 CB SER A 50 6.578 22.379 15.324 1.00 14.28 C ATOM 390 OG SER A 50 7.323 22.614 16.505 1.00 13.30 O ATOM 0 H SER A 50 8.876 21.840 14.443 1.00 17.24 H new ATOM 0 HA SER A 50 6.673 22.882 13.324 1.00 14.72 H new ATOM 0 HB2 SER A 50 5.699 22.779 15.412 1.00 14.28 H new ATOM 0 HB3 SER A 50 6.446 21.425 15.210 1.00 14.28 H new ATOM 0 HG SER A 50 8.035 22.170 16.480 1.00 13.30 H new ATOM 391 N THR A 51 6.573 25.243 14.403 1.00 11.70 N ATOM 392 CA THR A 51 6.748 26.669 14.628 1.00 10.61 C ATOM 393 C THR A 51 5.670 27.169 15.589 1.00 9.42 C ATOM 394 O THR A 51 4.556 26.647 15.603 1.00 9.23 O ATOM 395 CB THR A 51 6.673 27.456 13.282 1.00 11.72 C ATOM 396 OG1 THR A 51 7.697 26.983 12.400 1.00 11.73 O ATOM 397 CG2 THR A 51 6.869 28.958 13.500 1.00 11.00 C ATOM 0 H THR A 51 5.753 24.990 14.345 1.00 11.70 H new ATOM 0 HA THR A 51 7.624 26.819 15.017 1.00 10.61 H new ATOM 0 HB THR A 51 5.794 27.311 12.899 1.00 11.72 H new ATOM 0 HG1 THR A 51 7.407 26.330 11.958 1.00 11.73 H new ATOM 0 HG21 THR A 51 6.817 29.418 12.648 1.00 11.00 H new ATOM 0 HG22 THR A 51 6.176 29.293 14.090 1.00 11.00 H new ATOM 0 HG23 THR A 51 7.738 29.116 13.900 1.00 11.00 H new ATOM 398 N ASP A 52 6.042 28.120 16.446 1.00 9.30 N ATOM 399 CA ASP A 52 5.120 28.731 17.401 1.00 8.96 C ATOM 400 C ASP A 52 4.617 30.032 16.790 1.00 8.03 C ATOM 401 O ASP A 52 5.406 30.866 16.360 1.00 8.93 O ATOM 402 CB ASP A 52 5.826 29.010 18.720 1.00 9.53 C ATOM 403 CG ASP A 52 6.271 27.747 19.413 1.00 11.86 C ATOM 404 OD1 ASP A 52 5.584 26.716 19.276 1.00 13.46 O ATOM 405 OD2 ASP A 52 7.312 27.781 20.094 1.00 15.69 O ATOM 0 H ASP A 52 6.843 28.430 16.489 1.00 9.30 H new ATOM 0 HA ASP A 52 4.380 28.131 17.583 1.00 8.96 H new ATOM 0 HB2 ASP A 52 6.597 29.576 18.558 1.00 9.53 H new ATOM 0 HB3 ASP A 52 5.230 29.504 19.305 1.00 9.53 H new ATOM 406 N TYR A 53 3.291 30.228 16.844 1.00 8.70 N ATOM 407 CA TYR A 53 2.697 31.389 16.174 1.00 8.69 C ATOM 408 C TYR A 53 1.865 32.300 17.084 1.00 8.15 C ATOM 409 O TYR A 53 1.110 31.842 17.941 1.00 7.71 O ATOM 410 CB TYR A 53 1.716 30.943 15.085 1.00 8.49 C ATOM 411 CG TYR A 53 2.382 30.247 13.919 1.00 8.98 C ATOM 412 CD1 TYR A 53 2.563 28.864 13.938 1.00 9.19 C ATOM 413 CD2 TYR A 53 2.814 30.989 12.825 1.00 9.03 C ATOM 414 CE1 TYR A 53 3.180 28.224 12.860 1.00 10.58 C ATOM 415 CE2 TYR A 53 3.430 30.353 11.748 1.00 11.12 C ATOM 416 CZ TYR A 53 3.613 28.973 11.765 1.00 10.99 C ATOM 417 OH TYR A 53 4.213 28.359 10.706 1.00 12.05 O ATOM 0 H TYR A 53 2.734 29.715 17.252 1.00 8.70 H new ATOM 0 HA TYR A 53 3.467 31.873 15.838 1.00 8.69 H new ATOM 0 HB2 TYR A 53 1.060 30.346 15.476 1.00 8.49 H new ATOM 0 HB3 TYR A 53 1.234 31.718 14.757 1.00 8.49 H new ATOM 0 HD1 TYR A 53 2.273 28.367 14.669 1.00 9.19 H new ATOM 0 HD2 TYR A 53 2.692 31.911 12.812 1.00 9.03 H new ATOM 0 HE1 TYR A 53 3.302 27.302 12.872 1.00 10.58 H new ATOM 0 HE2 TYR A 53 3.719 30.851 11.018 1.00 11.12 H new ATOM 0 HH TYR A 53 4.144 27.526 10.789 1.00 12.05 H new ATOM 418 N GLY A 54 2.033 33.587 16.851 1.00 8.86 N ATOM 419 CA GLY A 54 1.233 34.638 17.513 1.00 7.50 C ATOM 420 C GLY A 54 1.545 35.009 18.965 1.00 7.26 C ATOM 421 O GLY A 54 2.559 34.628 19.553 1.00 7.19 O ATOM 0 H GLY A 54 2.618 33.893 16.300 1.00 8.86 H new ATOM 0 HA2 GLY A 54 1.314 35.445 16.981 1.00 7.50 H new ATOM 0 HA3 GLY A 54 0.303 34.365 17.475 1.00 7.50 H new ATOM 422 N ILE A 55 0.588 35.773 19.490 1.00 7.23 N ATOM 423 CA ILE A 55 0.652 36.351 20.835 1.00 8.68 C ATOM 424 C ILE A 55 0.754 35.299 21.942 1.00 8.03 C ATOM 425 O ILE A 55 1.375 35.571 22.991 1.00 8.52 O ATOM 426 CB ILE A 55 -0.570 37.252 21.085 1.00 10.74 C ATOM 427 CG1 ILE A 55 -0.319 38.172 22.289 1.00 11.52 C ATOM 428 CG2 ILE A 55 -1.861 36.461 21.336 1.00 9.72 C ATOM 429 CD1 ILE A 55 -0.872 39.576 22.109 1.00 13.12 C ATOM 0 H ILE A 55 -0.132 35.975 19.066 1.00 7.23 H new ATOM 0 HA ILE A 55 1.467 36.876 20.869 1.00 8.68 H new ATOM 0 HB ILE A 55 -0.690 37.771 20.274 1.00 10.74 H new ATOM 0 HG12 ILE A 55 -0.718 37.774 23.079 1.00 11.52 H new ATOM 0 HG13 ILE A 55 0.636 38.227 22.451 1.00 11.52 H new ATOM 0 HG21 ILE A 55 -2.594 37.078 21.487 1.00 9.72 H new ATOM 0 HG22 ILE A 55 -2.057 35.908 20.564 1.00 9.72 H new ATOM 0 HG23 ILE A 55 -1.748 35.897 22.117 1.00 9.72 H new ATOM 0 HD11 ILE A 55 -0.681 40.103 22.901 1.00 13.12 H new ATOM 0 HD12 ILE A 55 -0.457 39.991 21.337 1.00 13.12 H new ATOM 0 HD13 ILE A 55 -1.832 39.531 21.975 1.00 13.12 H new ATOM 430 N LEU A 56 0.252 34.089 21.747 1.00 7.36 N ATOM 431 CA LEU A 56 0.385 33.023 22.736 1.00 7.89 C ATOM 432 C LEU A 56 1.274 31.879 22.252 1.00 7.76 C ATOM 433 O LEU A 56 1.302 30.808 22.855 1.00 7.40 O ATOM 434 CB LEU A 56 -0.982 32.526 23.211 1.00 9.17 C ATOM 435 CG LEU A 56 -1.637 33.473 24.225 1.00 11.70 C ATOM 436 CD1 LEU A 56 -3.049 33.028 24.530 1.00 12.42 C ATOM 437 CD2 LEU A 56 -0.804 33.539 25.497 1.00 11.88 C ATOM 0 H LEU A 56 -0.177 33.859 21.038 1.00 7.36 H new ATOM 0 HA LEU A 56 0.837 33.409 23.503 1.00 7.89 H new ATOM 0 HB2 LEU A 56 -1.568 32.423 22.445 1.00 9.17 H new ATOM 0 HB3 LEU A 56 -0.881 31.648 23.612 1.00 9.17 H new ATOM 0 HG LEU A 56 -1.678 34.362 23.839 1.00 11.70 H new ATOM 0 HD11 LEU A 56 -3.449 33.636 25.172 1.00 12.42 H new ATOM 0 HD12 LEU A 56 -3.573 33.030 23.713 1.00 12.42 H new ATOM 0 HD13 LEU A 56 -3.033 32.132 24.901 1.00 12.42 H new ATOM 0 HD21 LEU A 56 -1.227 34.140 26.130 1.00 11.88 H new ATOM 0 HD22 LEU A 56 -0.738 32.653 25.887 1.00 11.88 H new ATOM 0 HD23 LEU A 56 0.084 33.866 25.286 1.00 11.88 H new ATOM 438 N GLN A 57 1.993 32.123 21.157 1.00 6.80 N ATOM 439 CA GLN A 57 2.941 31.162 20.588 1.00 7.97 C ATOM 440 C GLN A 57 2.438 29.725 20.496 1.00 8.30 C ATOM 441 O GLN A 57 3.054 28.800 21.022 1.00 10.04 O ATOM 442 CB GLN A 57 4.255 31.221 21.377 1.00 8.23 C ATOM 443 CG GLN A 57 4.982 32.536 21.198 1.00 8.59 C ATOM 444 CD GLN A 57 5.590 32.654 19.826 1.00 10.22 C ATOM 445 OE1 GLN A 57 6.660 32.111 19.575 1.00 11.11 O ATOM 446 NE2 GLN A 57 4.899 33.338 18.917 1.00 11.34 N ATOM 0 H GLN A 57 1.944 32.861 20.717 1.00 6.80 H new ATOM 0 HA GLN A 57 3.073 31.433 19.666 1.00 7.97 H new ATOM 0 HB2 GLN A 57 4.069 31.084 22.319 1.00 8.23 H new ATOM 0 HB3 GLN A 57 4.832 30.495 21.093 1.00 8.23 H new ATOM 0 HG2 GLN A 57 4.364 33.270 21.343 1.00 8.59 H new ATOM 0 HG3 GLN A 57 5.678 32.615 21.869 1.00 8.59 H new ATOM 0 HE21 GLN A 57 4.152 33.705 19.132 1.00 11.34 H new ATOM 0 HE22 GLN A 57 5.200 33.413 18.115 1.00 11.34 H new ATOM 447 N ILE A 58 1.315 29.555 19.811 1.00 8.00 N ATOM 448 CA ILE A 58 0.692 28.249 19.629 1.00 8.54 C ATOM 449 C ILE A 58 1.489 27.434 18.598 1.00 8.08 C ATOM 450 O ILE A 58 1.835 27.927 17.525 1.00 7.24 O ATOM 451 CB ILE A 58 -0.798 28.431 19.269 1.00 8.38 C ATOM 452 CG1 ILE A 58 -1.525 29.038 20.485 1.00 8.81 C ATOM 453 CG2 ILE A 58 -1.433 27.100 18.845 1.00 8.91 C ATOM 454 CD1 ILE A 58 -2.963 29.457 20.224 1.00 10.22 C ATOM 0 H ILE A 58 0.888 30.200 19.435 1.00 8.00 H new ATOM 0 HA ILE A 58 0.713 27.738 20.453 1.00 8.54 H new ATOM 0 HB ILE A 58 -0.879 29.032 18.512 1.00 8.38 H new ATOM 0 HG12 ILE A 58 -1.516 28.391 21.207 1.00 8.81 H new ATOM 0 HG13 ILE A 58 -1.026 29.812 20.791 1.00 8.81 H new ATOM 0 HG21 ILE A 58 -2.367 27.242 18.625 1.00 8.91 H new ATOM 0 HG22 ILE A 58 -0.968 26.752 18.068 1.00 8.91 H new ATOM 0 HG23 ILE A 58 -1.367 26.463 19.573 1.00 8.91 H new ATOM 0 HD11 ILE A 58 -3.345 29.826 21.035 1.00 10.22 H new ATOM 0 HD12 ILE A 58 -2.983 30.128 19.523 1.00 10.22 H new ATOM 0 HD13 ILE A 58 -3.480 28.685 19.946 1.00 10.22 H new ATOM 455 N ASN A 59 1.793 26.188 18.961 1.00 9.59 N ATOM 456 CA ASN A 59 2.604 25.279 18.152 1.00 9.22 C ATOM 457 C ASN A 59 1.876 24.565 17.012 1.00 9.16 C ATOM 458 O ASN A 59 0.784 24.025 17.188 1.00 10.08 O ATOM 459 CB ASN A 59 3.284 24.266 19.082 1.00 10.90 C ATOM 460 CG ASN A 59 4.390 23.497 18.404 1.00 11.31 C ATOM 461 OD1 ASN A 59 4.200 22.358 17.975 1.00 13.54 O ATOM 462 ND2 ASN A 59 5.548 24.121 18.297 1.00 10.92 N ATOM 0 H ASN A 59 1.527 25.840 19.701 1.00 9.59 H new ATOM 0 HA ASN A 59 3.252 25.837 17.695 1.00 9.22 H new ATOM 0 HB2 ASN A 59 3.646 24.733 19.852 1.00 10.90 H new ATOM 0 HB3 ASN A 59 2.620 23.642 19.415 1.00 10.90 H new ATOM 0 HD21 ASN A 59 6.212 23.732 17.914 1.00 10.92 H new ATOM 0 HD22 ASN A 59 5.638 24.917 18.610 1.00 10.92 H new ATOM 463 N SER A 60 2.535 24.518 15.859 1.00 9.51 N ATOM 464 CA SER A 60 1.986 23.910 14.653 1.00 9.87 C ATOM 465 C SER A 60 1.973 22.382 14.592 1.00 10.49 C ATOM 466 O SER A 60 1.410 21.814 13.665 1.00 10.94 O ATOM 467 CB SER A 60 2.731 24.447 13.434 1.00 9.30 C ATOM 468 OG SER A 60 4.092 24.070 13.468 1.00 10.72 O ATOM 0 H SER A 60 3.324 24.843 15.754 1.00 9.51 H new ATOM 0 HA SER A 60 1.049 24.162 14.665 1.00 9.87 H new ATOM 0 HB2 SER A 60 2.318 24.110 12.624 1.00 9.30 H new ATOM 0 HB3 SER A 60 2.660 25.414 13.407 1.00 9.30 H new ATOM 0 HG SER A 60 4.256 23.552 12.827 1.00 10.72 H new ATOM 469 N ARG A 61 2.611 21.712 15.543 1.00 11.82 N ATOM 470 CA ARG A 61 2.616 20.256 15.510 1.00 13.99 C ATOM 471 C ARG A 61 1.270 19.630 15.868 1.00 14.46 C ATOM 472 O ARG A 61 0.907 18.585 15.332 1.00 16.10 O ATOM 473 CB ARG A 61 3.734 19.699 16.389 1.00 15.55 C ATOM 474 CG ARG A 61 3.801 18.183 16.429 1.00 18.66 C ATOM 475 CD ARG A 61 5.232 17.702 16.517 1.00 21.53 C ATOM 476 NE ARG A 61 5.771 17.367 15.198 1.00 25.65 N ATOM 477 CZ ARG A 61 6.932 17.803 14.718 1.00 25.72 C ATOM 478 NH1 ARG A 61 7.693 18.610 15.443 1.00 27.45 N ATOM 479 NH2 ARG A 61 7.353 17.395 13.529 1.00 25.53 N ATOM 0 H ARG A 61 3.036 22.069 16.200 1.00 11.82 H new ATOM 0 HA ARG A 61 2.785 20.007 14.588 1.00 13.99 H new ATOM 0 HB2 ARG A 61 4.583 20.041 16.069 1.00 15.55 H new ATOM 0 HB3 ARG A 61 3.616 20.031 17.293 1.00 15.55 H new ATOM 0 HG2 ARG A 61 3.299 17.854 17.191 1.00 18.66 H new ATOM 0 HG3 ARG A 61 3.382 17.817 15.634 1.00 18.66 H new ATOM 0 HD2 ARG A 61 5.780 18.390 16.926 1.00 21.53 H new ATOM 0 HD3 ARG A 61 5.277 16.923 17.093 1.00 21.53 H new ATOM 0 HE ARG A 61 5.302 16.850 14.696 1.00 25.65 H new ATOM 0 HH11 ARG A 61 7.437 18.854 16.227 1.00 27.45 H new ATOM 0 HH12 ARG A 61 8.443 18.890 15.130 1.00 27.45 H new ATOM 0 HH21 ARG A 61 6.875 16.848 13.068 1.00 25.53 H new ATOM 0 HH22 ARG A 61 8.104 17.677 13.219 1.00 25.53 H new ATOM 480 N TRP A 62 0.478 20.333 16.697 1.00 14.96 N ATOM 481 CA TRP A 62 -0.783 19.719 17.102 1.00 15.50 C ATOM 482 C TRP A 62 -1.996 20.667 17.012 1.00 14.45 C ATOM 483 O TRP A 62 -3.132 20.218 16.832 1.00 14.79 O ATOM 484 CB TRP A 62 -0.714 19.265 18.579 1.00 18.72 C ATOM 485 CG TRP A 62 0.307 18.153 18.858 1.00 22.85 C ATOM 486 CD1 TRP A 62 0.156 16.839 18.602 1.00 23.30 C ATOM 487 CD2 TRP A 62 1.600 18.336 19.447 1.00 24.23 C ATOM 488 NE1 TRP A 62 1.340 16.174 19.021 1.00 24.06 N ATOM 489 CE2 TRP A 62 2.189 17.071 19.520 1.00 24.55 C ATOM 490 CE3 TRP A 62 2.313 19.455 19.919 1.00 24.96 C ATOM 491 CZ2 TRP A 62 3.477 16.858 20.049 1.00 25.58 C ATOM 492 CZ3 TRP A 62 3.601 19.231 20.447 1.00 25.48 C ATOM 493 CH2 TRP A 62 4.157 17.982 20.509 1.00 26.09 C ATOM 0 H TRP A 62 0.643 21.115 17.015 1.00 14.96 H new ATOM 0 HA TRP A 62 -0.904 18.980 16.485 1.00 15.50 H new ATOM 0 HB2 TRP A 62 -0.498 20.033 19.131 1.00 18.72 H new ATOM 0 HB3 TRP A 62 -1.592 18.957 18.852 1.00 18.72 H new ATOM 0 HD1 TRP A 62 -0.591 16.438 18.219 1.00 23.30 H new ATOM 0 HE1 TRP A 62 1.485 15.328 18.962 1.00 24.06 H new ATOM 0 HE3 TRP A 62 1.948 20.310 19.884 1.00 24.96 H new ATOM 0 HZ2 TRP A 62 3.854 16.009 20.089 1.00 25.58 H new ATOM 0 HZ3 TRP A 62 4.089 19.956 20.764 1.00 25.48 H new ATOM 0 HH2 TRP A 62 5.009 17.882 20.867 1.00 26.09 H new ATOM 494 N TRP A 63 -1.765 21.975 17.107 1.00 13.38 N ATOM 495 CA TRP A 63 -2.906 22.916 17.192 1.00 11.52 C ATOM 496 C TRP A 63 -3.344 23.670 15.934 1.00 10.26 C ATOM 497 O TRP A 63 -4.524 24.025 15.827 1.00 9.78 O ATOM 498 CB TRP A 63 -2.602 23.931 18.276 1.00 10.27 C ATOM 499 CG TRP A 63 -2.254 23.193 19.563 1.00 11.06 C ATOM 500 CD1 TRP A 63 -1.037 23.078 20.116 1.00 11.77 C ATOM 501 CD2 TRP A 63 -3.183 22.482 20.387 1.00 11.50 C ATOM 502 NE1 TRP A 63 -1.165 22.276 21.281 1.00 12.43 N ATOM 503 CE2 TRP A 63 -2.440 21.923 21.428 1.00 11.20 C ATOM 504 CE3 TRP A 63 -4.573 22.259 20.334 1.00 11.99 C ATOM 505 CZ2 TRP A 63 -3.016 21.123 22.433 1.00 12.47 C ATOM 506 CZ3 TRP A 63 -5.143 21.463 21.349 1.00 13.11 C ATOM 507 CH2 TRP A 63 -4.391 20.917 22.356 1.00 12.82 C ATOM 0 H TRP A 63 -0.986 22.338 17.124 1.00 13.38 H new ATOM 0 HA TRP A 63 -3.661 22.335 17.373 1.00 11.52 H new ATOM 0 HB2 TRP A 63 -1.864 24.499 18.005 1.00 10.27 H new ATOM 0 HB3 TRP A 63 -3.368 24.509 18.418 1.00 10.27 H new ATOM 0 HD1 TRP A 63 -0.251 23.456 19.794 1.00 11.77 H new ATOM 0 HE1 TRP A 63 -0.522 22.054 21.807 1.00 12.43 H new ATOM 0 HE3 TRP A 63 -5.095 22.623 19.656 1.00 11.99 H new ATOM 0 HZ2 TRP A 63 -2.504 20.751 23.114 1.00 12.47 H new ATOM 0 HZ3 TRP A 63 -6.059 21.303 21.334 1.00 13.11 H new ATOM 0 HH2 TRP A 63 -4.809 20.396 23.003 1.00 12.82 H new ATOM 508 N CYS A 64 -2.457 23.927 15.007 1.00 10.32 N ATOM 509 CA CYS A 64 -2.852 24.638 13.781 1.00 10.60 C ATOM 510 C CYS A 64 -2.055 24.112 12.602 1.00 10.31 C ATOM 511 O CYS A 64 -0.986 23.523 12.775 1.00 11.79 O ATOM 512 CB CYS A 64 -2.620 26.149 13.932 1.00 10.38 C ATOM 513 SG CYS A 64 -0.856 26.613 14.224 1.00 11.88 S ATOM 0 H CYS A 64 -1.626 23.709 15.050 1.00 10.32 H new ATOM 0 HA CYS A 64 -3.797 24.484 13.626 1.00 10.60 H new ATOM 0 HB2 CYS A 64 -2.934 26.597 13.131 1.00 10.38 H new ATOM 0 HB3 CYS A 64 -3.157 26.477 14.670 1.00 10.38 H new ATOM 514 N ASN A 65 -2.604 24.280 11.414 1.00 11.39 N ATOM 515 CA ASN A 65 -1.931 23.794 10.227 1.00 11.98 C ATOM 516 C ASN A 65 -1.143 24.872 9.497 1.00 11.48 C ATOM 517 O ASN A 65 -1.705 25.885 9.079 1.00 12.62 O ATOM 518 CB ASN A 65 -2.938 23.156 9.275 1.00 13.19 C ATOM 519 CG ASN A 65 -2.317 22.780 7.956 1.00 14.97 C ATOM 520 OD1 ASN A 65 -1.165 22.115 8.005 1.00 20.08 O flip ATOM 521 ND2 ASN A 65 -2.843 23.120 6.902 1.00 15.31 N flip ATOM 0 H ASN A 65 -3.358 24.669 11.273 1.00 11.39 H new ATOM 0 HA ASN A 65 -1.289 23.132 10.528 1.00 11.98 H new ATOM 0 HB2 ASN A 65 -3.316 22.365 9.690 1.00 13.19 H new ATOM 0 HB3 ASN A 65 -3.671 23.773 9.121 1.00 13.19 H new ATOM 0 HD21 ASN A 65 -3.588 23.549 6.912 1.00 15.31 H new ATOM 0 HD22 ASN A 65 -2.467 22.930 6.153 1.00 15.31 H new ATOM 522 N ASP A 66 0.163 24.672 9.367 1.00 10.96 N ATOM 523 CA ASP A 66 0.979 25.632 8.634 1.00 13.45 C ATOM 524 C ASP A 66 1.535 24.985 7.365 1.00 15.18 C ATOM 525 O ASP A 66 2.364 25.572 6.665 1.00 16.50 O ATOM 526 CB ASP A 66 2.088 26.246 9.509 1.00 12.56 C ATOM 527 CG ASP A 66 3.174 25.250 9.916 1.00 13.52 C ATOM 528 OD1 ASP A 66 3.107 24.049 9.568 1.00 11.95 O ATOM 529 OD2 ASP A 66 4.123 25.691 10.601 1.00 12.93 O ATOM 0 H ASP A 66 0.591 23.999 9.689 1.00 10.96 H new ATOM 0 HA ASP A 66 0.411 26.373 8.372 1.00 13.45 H new ATOM 0 HB2 ASP A 66 2.499 26.981 9.027 1.00 12.56 H new ATOM 0 HB3 ASP A 66 1.687 26.620 10.309 1.00 12.56 H new ATOM 530 N GLY A 67 1.074 23.758 7.106 1.00 15.46 N ATOM 531 CA GLY A 67 1.481 22.999 5.936 1.00 16.78 C ATOM 532 C GLY A 67 2.946 22.615 5.808 1.00 17.83 C ATOM 533 O GLY A 67 3.358 22.119 4.757 1.00 18.91 O ATOM 0 H GLY A 67 0.513 23.346 7.611 1.00 15.46 H new ATOM 0 HA2 GLY A 67 0.957 22.183 5.914 1.00 16.78 H new ATOM 0 HA3 GLY A 67 1.239 23.513 5.150 1.00 16.78 H new ATOM 534 N ARG A 68 3.734 22.805 6.863 1.00 17.63 N ATOM 535 CA ARG A 68 5.161 22.477 6.809 1.00 18.70 C ATOM 536 C ARG A 68 5.665 21.707 8.036 1.00 17.82 C ATOM 537 O ARG A 68 6.875 21.571 8.232 1.00 17.84 O ATOM 538 CB ARG A 68 6.001 23.754 6.622 1.00 20.70 C ATOM 539 CG ARG A 68 5.980 24.693 7.823 1.00 23.99 C ATOM 540 CD ARG A 68 7.068 25.765 7.750 1.00 28.07 C ATOM 541 NE ARG A 68 6.669 26.937 6.973 1.00 31.34 N ATOM 542 CZ ARG A 68 7.399 28.046 6.856 1.00 32.43 C ATOM 543 NH1 ARG A 68 8.579 28.142 7.459 1.00 33.59 N ATOM 544 NH2 ARG A 68 6.936 29.077 6.161 1.00 32.92 N ATOM 0 H ARG A 68 3.466 23.121 7.617 1.00 17.63 H new ATOM 0 HA ARG A 68 5.268 21.889 6.045 1.00 18.70 H new ATOM 0 HB2 ARG A 68 6.919 23.502 6.437 1.00 20.70 H new ATOM 0 HB3 ARG A 68 5.676 24.233 5.843 1.00 20.70 H new ATOM 0 HG2 ARG A 68 5.112 25.122 7.879 1.00 23.99 H new ATOM 0 HG3 ARG A 68 6.094 24.176 8.636 1.00 23.99 H new ATOM 0 HD2 ARG A 68 7.300 26.044 8.650 1.00 28.07 H new ATOM 0 HD3 ARG A 68 7.867 25.380 7.357 1.00 28.07 H new ATOM 0 HE ARG A 68 5.913 26.909 6.564 1.00 31.34 H new ATOM 0 HH11 ARG A 68 8.877 27.486 7.929 1.00 33.59 H new ATOM 0 HH12 ARG A 68 9.045 28.860 7.380 1.00 33.59 H new ATOM 0 HH21 ARG A 68 6.164 29.030 5.785 1.00 32.92 H new ATOM 0 HH22 ARG A 68 7.408 29.792 6.086 1.00 32.92 H new ATOM 545 N THR A 69 4.741 21.187 8.843 1.00 15.78 N ATOM 546 CA THR A 69 5.113 20.450 10.044 1.00 15.01 C ATOM 547 C THR A 69 4.782 18.967 9.904 1.00 15.40 C ATOM 548 O THR A 69 3.612 18.595 9.823 1.00 14.37 O ATOM 549 CB THR A 69 4.395 21.014 11.294 1.00 13.92 C ATOM 550 OG1 THR A 69 4.563 22.437 11.342 1.00 11.81 O ATOM 551 CG2 THR A 69 4.986 20.413 12.561 1.00 12.12 C ATOM 0 H THR A 69 3.894 21.251 8.711 1.00 15.78 H new ATOM 0 HA THR A 69 6.071 20.554 10.155 1.00 15.01 H new ATOM 0 HB THR A 69 3.454 20.787 11.237 1.00 13.92 H new ATOM 0 HG1 THR A 69 4.073 22.797 10.763 1.00 11.81 H new ATOM 0 HG21 THR A 69 4.527 20.775 13.335 1.00 12.12 H new ATOM 0 HG22 THR A 69 4.878 19.449 12.543 1.00 12.12 H new ATOM 0 HG23 THR A 69 5.930 20.632 12.613 1.00 12.12 H new ATOM 552 N PRO A 70 5.816 18.102 9.875 1.00 17.19 N ATOM 553 CA PRO A 70 5.654 16.646 9.746 1.00 18.17 C ATOM 554 C PRO A 70 4.823 16.042 10.884 1.00 19.36 C ATOM 555 O PRO A 70 5.011 16.385 12.058 1.00 19.35 O ATOM 556 CB PRO A 70 7.098 16.136 9.789 1.00 17.76 C ATOM 557 CG PRO A 70 7.880 17.280 9.236 1.00 17.89 C ATOM 558 CD PRO A 70 7.244 18.456 9.928 1.00 16.31 C ATOM 0 HA PRO A 70 5.174 16.399 8.940 1.00 18.17 H new ATOM 0 HB2 PRO A 70 7.374 15.917 10.693 1.00 17.76 H new ATOM 0 HB3 PRO A 70 7.211 15.334 9.256 1.00 17.76 H new ATOM 0 HG2 PRO A 70 8.825 17.206 9.440 1.00 17.89 H new ATOM 0 HG3 PRO A 70 7.802 17.341 8.271 1.00 17.89 H new ATOM 0 HD2 PRO A 70 7.560 18.556 10.840 1.00 16.31 H new ATOM 0 HD3 PRO A 70 7.429 19.291 9.470 1.00 16.31 H new ATOM 559 N GLY A 71 3.897 15.158 10.516 1.00 20.20 N ATOM 560 CA GLY A 71 3.036 14.500 11.484 1.00 21.73 C ATOM 561 C GLY A 71 2.277 15.478 12.354 1.00 23.07 C ATOM 562 O GLY A 71 2.120 15.256 13.556 1.00 24.41 O ATOM 0 H GLY A 71 3.754 14.926 9.700 1.00 20.20 H new ATOM 0 HA2 GLY A 71 2.404 13.933 11.015 1.00 21.73 H new ATOM 0 HA3 GLY A 71 3.573 13.921 12.048 1.00 21.73 H new ATOM 563 N SER A 72 1.800 16.561 11.748 1.00 22.04 N ATOM 564 CA SER A 72 1.078 17.581 12.488 1.00 22.46 C ATOM 565 C SER A 72 -0.430 17.407 12.512 1.00 21.89 C ATOM 566 O SER A 72 -1.043 16.998 11.523 1.00 22.30 O ATOM 567 CB SER A 72 1.417 18.972 11.951 1.00 22.36 C ATOM 568 OG SER A 72 0.850 19.179 10.670 1.00 24.59 O ATOM 0 H SER A 72 1.886 16.721 10.907 1.00 22.04 H new ATOM 0 HA SER A 72 1.376 17.480 13.406 1.00 22.46 H new ATOM 0 HB2 SER A 72 1.089 19.647 12.565 1.00 22.36 H new ATOM 0 HB3 SER A 72 2.380 19.077 11.902 1.00 22.36 H new ATOM 0 HG SER A 72 1.051 18.537 10.167 1.00 24.59 H new ATOM 569 N ARG A 73 -1.008 17.697 13.671 1.00 21.31 N ATOM 570 CA ARG A 73 -2.450 17.644 13.856 1.00 21.42 C ATOM 571 C ARG A 73 -2.925 19.097 13.781 1.00 19.66 C ATOM 572 O ARG A 73 -2.136 20.034 13.942 1.00 20.24 O ATOM 573 CB ARG A 73 -2.817 17.055 15.229 1.00 23.32 C ATOM 574 CG ARG A 73 -2.360 15.614 15.485 1.00 26.59 C ATOM 575 CD ARG A 73 -2.794 14.653 14.378 1.00 29.48 C ATOM 576 NE ARG A 73 -4.216 14.770 14.054 1.00 32.24 N ATOM 577 CZ ARG A 73 -5.178 14.020 14.584 1.00 33.98 C ATOM 578 NH1 ARG A 73 -4.882 13.081 15.475 1.00 34.66 N ATOM 579 NH2 ARG A 73 -6.439 14.211 14.220 1.00 35.28 N ATOM 0 H ARG A 73 -0.572 17.931 14.375 1.00 21.31 H new ATOM 0 HA ARG A 73 -2.864 17.079 13.185 1.00 21.42 H new ATOM 0 HB2 ARG A 73 -2.437 17.623 15.917 1.00 23.32 H new ATOM 0 HB3 ARG A 73 -3.781 17.093 15.330 1.00 23.32 H new ATOM 0 HG2 ARG A 73 -1.393 15.594 15.565 1.00 26.59 H new ATOM 0 HG3 ARG A 73 -2.721 15.310 16.332 1.00 26.59 H new ATOM 0 HD2 ARG A 73 -2.269 14.826 13.581 1.00 29.48 H new ATOM 0 HD3 ARG A 73 -2.602 13.742 14.652 1.00 29.48 H new ATOM 0 HE ARG A 73 -4.446 15.367 13.479 1.00 32.24 H new ATOM 0 HH11 ARG A 73 -4.065 12.955 15.712 1.00 34.66 H new ATOM 0 HH12 ARG A 73 -5.507 12.598 15.815 1.00 34.66 H new ATOM 0 HH21 ARG A 73 -6.633 14.818 13.643 1.00 35.28 H new ATOM 0 HH22 ARG A 73 -7.063 13.727 14.561 1.00 35.28 H new ATOM 580 N ASN A 74 -4.206 19.282 13.510 1.00 17.28 N ATOM 581 CA ASN A 74 -4.772 20.619 13.430 1.00 15.81 C ATOM 582 C ASN A 74 -5.947 20.590 14.389 1.00 15.23 C ATOM 583 O ASN A 74 -7.103 20.677 13.979 1.00 15.34 O ATOM 584 CB ASN A 74 -5.231 20.905 11.995 1.00 14.11 C ATOM 585 CG ASN A 74 -5.704 22.336 11.800 1.00 15.02 C ATOM 586 OD1 ASN A 74 -5.591 23.148 12.845 1.00 15.35 O flip ATOM 587 ND2 ASN A 74 -6.162 22.707 10.714 1.00 10.72 N flip ATOM 0 H ASN A 74 -4.767 18.646 13.369 1.00 17.28 H new ATOM 0 HA ASN A 74 -4.138 21.316 13.660 1.00 15.81 H new ATOM 0 HB2 ASN A 74 -4.499 20.725 11.384 1.00 14.11 H new ATOM 0 HB3 ASN A 74 -5.950 20.297 11.763 1.00 14.11 H new ATOM 0 HD21 ASN A 74 -6.220 22.152 10.060 1.00 10.72 H new ATOM 0 HD22 ASN A 74 -6.423 23.520 10.613 1.00 10.72 H new ATOM 588 N LEU A 75 -5.636 20.456 15.675 1.00 14.75 N ATOM 589 CA LEU A 75 -6.657 20.364 16.713 1.00 15.51 C ATOM 590 C LEU A 75 -7.580 21.570 16.861 1.00 15.36 C ATOM 591 O LEU A 75 -8.735 21.419 17.258 1.00 15.42 O ATOM 592 CB LEU A 75 -6.023 19.984 18.057 1.00 16.06 C ATOM 593 CG LEU A 75 -5.457 18.555 18.128 1.00 17.20 C ATOM 594 CD1 LEU A 75 -4.811 18.303 19.477 1.00 17.31 C ATOM 595 CD2 LEU A 75 -6.558 17.542 17.872 1.00 16.73 C ATOM 0 H LEU A 75 -4.829 20.416 15.970 1.00 14.75 H new ATOM 0 HA LEU A 75 -7.249 19.659 16.408 1.00 15.51 H new ATOM 0 HB2 LEU A 75 -5.308 20.611 18.251 1.00 16.06 H new ATOM 0 HB3 LEU A 75 -6.689 20.089 18.755 1.00 16.06 H new ATOM 0 HG LEU A 75 -4.778 18.458 17.442 1.00 17.20 H new ATOM 0 HD11 LEU A 75 -4.460 17.399 19.504 1.00 17.31 H new ATOM 0 HD12 LEU A 75 -4.087 18.934 19.612 1.00 17.31 H new ATOM 0 HD13 LEU A 75 -5.472 18.414 20.178 1.00 17.31 H new ATOM 0 HD21 LEU A 75 -6.191 16.646 17.919 1.00 16.73 H new ATOM 0 HD22 LEU A 75 -7.252 17.642 18.542 1.00 16.73 H new ATOM 0 HD23 LEU A 75 -6.936 17.690 16.991 1.00 16.73 H new ATOM 596 N CYS A 76 -7.082 22.762 16.545 1.00 15.10 N ATOM 597 CA CYS A 76 -7.913 23.956 16.633 1.00 14.74 C ATOM 598 C CYS A 76 -8.633 24.242 15.316 1.00 15.42 C ATOM 599 O CYS A 76 -9.464 25.146 15.224 1.00 14.12 O ATOM 600 CB CYS A 76 -7.089 25.157 17.098 1.00 13.96 C ATOM 601 SG CYS A 76 -6.694 25.041 18.867 1.00 12.91 S ATOM 0 H CYS A 76 -6.275 22.899 16.281 1.00 15.10 H new ATOM 0 HA CYS A 76 -8.599 23.791 17.298 1.00 14.74 H new ATOM 0 HB2 CYS A 76 -6.268 25.207 16.584 1.00 13.96 H new ATOM 0 HB3 CYS A 76 -7.581 25.975 16.927 1.00 13.96 H new ATOM 602 N ASN A 77 -8.307 23.440 14.308 1.00 15.99 N ATOM 603 CA ASN A 77 -8.901 23.535 12.980 1.00 18.03 C ATOM 604 C ASN A 77 -8.790 24.905 12.318 1.00 17.02 C ATOM 605 O ASN A 77 -9.774 25.453 11.810 1.00 16.98 O ATOM 606 CB ASN A 77 -10.357 23.062 13.011 1.00 20.65 C ATOM 607 CG ASN A 77 -10.902 22.782 11.628 1.00 22.41 C ATOM 608 OD1 ASN A 77 -10.145 22.603 10.671 1.00 23.89 O ATOM 609 ND2 ASN A 77 -12.223 22.753 11.511 1.00 25.67 N ATOM 0 H ASN A 77 -7.723 22.813 14.379 1.00 15.99 H new ATOM 0 HA ASN A 77 -8.371 22.946 12.421 1.00 18.03 H new ATOM 0 HB2 ASN A 77 -10.422 22.258 13.550 1.00 20.65 H new ATOM 0 HB3 ASN A 77 -10.905 23.737 13.441 1.00 20.65 H new ATOM 0 HD21 ASN A 77 -12.584 22.605 10.744 1.00 25.67 H new ATOM 0 HD22 ASN A 77 -12.719 22.882 12.202 1.00 25.67 H new ATOM 610 N ILE A 78 -7.584 25.459 12.327 1.00 15.76 N ATOM 611 CA ILE A 78 -7.352 26.747 11.696 1.00 15.45 C ATOM 612 C ILE A 78 -5.942 26.806 11.143 1.00 13.67 C ATOM 613 O ILE A 78 -5.064 26.050 11.567 1.00 12.96 O ATOM 614 CB ILE A 78 -7.538 27.973 12.676 1.00 16.63 C ATOM 615 CG1 ILE A 78 -6.480 27.977 13.788 1.00 18.50 C ATOM 616 CG2 ILE A 78 -8.959 28.048 13.215 1.00 18.58 C ATOM 617 CD1 ILE A 78 -6.225 26.666 14.455 1.00 18.19 C ATOM 0 H ILE A 78 -6.890 25.106 12.692 1.00 15.76 H new ATOM 0 HA ILE A 78 -8.017 26.820 10.994 1.00 15.45 H new ATOM 0 HB ILE A 78 -7.396 28.784 12.162 1.00 16.63 H new ATOM 0 HG12 ILE A 78 -5.644 28.297 13.413 1.00 18.50 H new ATOM 0 HG13 ILE A 78 -6.751 28.617 14.465 1.00 18.50 H new ATOM 0 HG21 ILE A 78 -9.039 28.809 13.811 1.00 18.58 H new ATOM 0 HG22 ILE A 78 -9.580 28.149 12.477 1.00 18.58 H new ATOM 0 HG23 ILE A 78 -9.164 27.234 13.701 1.00 18.58 H new ATOM 0 HD11 ILE A 78 -5.544 26.777 15.137 1.00 18.19 H new ATOM 0 HD12 ILE A 78 -7.044 26.346 14.865 1.00 18.19 H new ATOM 0 HD13 ILE A 78 -5.920 26.022 13.797 1.00 18.19 H new ATOM 618 N PRO A 79 -5.734 27.619 10.100 1.00 12.58 N ATOM 619 CA PRO A 79 -4.380 27.719 9.555 1.00 11.48 C ATOM 620 C PRO A 79 -3.596 28.551 10.576 1.00 11.17 C ATOM 621 O PRO A 79 -4.170 29.433 11.232 1.00 10.09 O ATOM 622 CB PRO A 79 -4.595 28.463 8.232 1.00 12.29 C ATOM 623 CG PRO A 79 -5.842 29.250 8.473 1.00 12.51 C ATOM 624 CD PRO A 79 -6.713 28.305 9.238 1.00 12.22 C ATOM 0 HA PRO A 79 -3.901 26.889 9.403 1.00 11.48 H new ATOM 0 HB2 PRO A 79 -3.844 29.039 8.020 1.00 12.29 H new ATOM 0 HB3 PRO A 79 -4.699 27.848 7.489 1.00 12.29 H new ATOM 0 HG2 PRO A 79 -5.662 30.058 8.979 1.00 12.51 H new ATOM 0 HG3 PRO A 79 -6.258 29.524 7.640 1.00 12.51 H new ATOM 0 HD2 PRO A 79 -7.389 28.771 9.755 1.00 12.22 H new ATOM 0 HD3 PRO A 79 -7.179 27.687 8.654 1.00 12.22 H new ATOM 625 N CYS A 80 -2.323 28.221 10.775 1.00 10.24 N ATOM 626 CA CYS A 80 -1.501 28.946 11.743 1.00 9.63 C ATOM 627 C CYS A 80 -1.413 30.438 11.439 1.00 10.41 C ATOM 628 O CYS A 80 -1.163 31.243 12.333 1.00 10.96 O ATOM 629 CB CYS A 80 -0.098 28.357 11.824 1.00 10.55 C ATOM 630 SG CYS A 80 -0.035 26.619 12.365 1.00 11.02 S ATOM 0 H CYS A 80 -1.917 27.585 10.363 1.00 10.24 H new ATOM 0 HA CYS A 80 -1.943 28.844 12.601 1.00 9.63 H new ATOM 0 HB2 CYS A 80 0.320 28.427 10.952 1.00 10.55 H new ATOM 0 HB3 CYS A 80 0.430 28.893 12.436 1.00 10.55 H new ATOM 631 N SER A 81 -1.611 30.799 10.172 1.00 11.22 N ATOM 632 CA SER A 81 -1.578 32.196 9.751 1.00 11.65 C ATOM 633 C SER A 81 -2.710 32.985 10.430 1.00 10.83 C ATOM 634 O SER A 81 -2.582 34.184 10.658 1.00 11.90 O ATOM 635 CB SER A 81 -1.702 32.289 8.226 1.00 13.03 C ATOM 636 OG SER A 81 -2.949 31.775 7.801 1.00 15.11 O ATOM 0 H SER A 81 -1.768 30.242 9.536 1.00 11.22 H new ATOM 0 HA SER A 81 -0.730 32.583 10.019 1.00 11.65 H new ATOM 0 HB2 SER A 81 -1.613 33.213 7.944 1.00 13.03 H new ATOM 0 HB3 SER A 81 -0.981 31.794 7.806 1.00 13.03 H new ATOM 0 HG SER A 81 -3.495 32.406 7.705 1.00 15.11 H new ATOM 637 N ALA A 82 -3.803 32.305 10.771 1.00 9.74 N ATOM 638 CA ALA A 82 -4.931 32.947 11.443 1.00 10.42 C ATOM 639 C ALA A 82 -4.564 33.373 12.876 1.00 10.17 C ATOM 640 O ALA A 82 -5.215 34.231 13.476 1.00 9.93 O ATOM 641 CB ALA A 82 -6.132 32.015 11.462 1.00 11.05 C ATOM 0 H ALA A 82 -3.911 31.465 10.621 1.00 9.74 H new ATOM 0 HA ALA A 82 -5.158 33.747 10.944 1.00 10.42 H new ATOM 0 HB1 ALA A 82 -6.873 32.451 11.910 1.00 11.05 H new ATOM 0 HB2 ALA A 82 -6.387 31.797 10.552 1.00 11.05 H new ATOM 0 HB3 ALA A 82 -5.902 31.201 11.936 1.00 11.05 H new ATOM 642 N LEU A 83 -3.513 32.772 13.417 1.00 9.59 N ATOM 643 CA LEU A 83 -3.065 33.091 14.769 1.00 10.40 C ATOM 644 C LEU A 83 -2.123 34.289 14.756 1.00 11.86 C ATOM 645 O LEU A 83 -1.581 34.670 15.788 1.00 12.65 O ATOM 646 CB LEU A 83 -2.366 31.882 15.391 1.00 9.32 C ATOM 647 CG LEU A 83 -3.224 30.620 15.508 1.00 11.46 C ATOM 648 CD1 LEU A 83 -2.352 29.437 15.898 1.00 10.35 C ATOM 649 CD2 LEU A 83 -4.352 30.829 16.510 1.00 10.73 C ATOM 0 H LEU A 83 -3.042 32.173 13.017 1.00 9.59 H new ATOM 0 HA LEU A 83 -3.842 33.317 15.303 1.00 10.40 H new ATOM 0 HB2 LEU A 83 -1.580 31.673 14.862 1.00 9.32 H new ATOM 0 HB3 LEU A 83 -2.055 32.127 16.276 1.00 9.32 H new ATOM 0 HG LEU A 83 -3.628 30.431 14.647 1.00 11.46 H new ATOM 0 HD11 LEU A 83 -2.901 28.640 15.971 1.00 10.35 H new ATOM 0 HD12 LEU A 83 -1.671 29.299 15.221 1.00 10.35 H new ATOM 0 HD13 LEU A 83 -1.927 29.615 16.752 1.00 10.35 H new ATOM 0 HD21 LEU A 83 -4.885 30.021 16.571 1.00 10.73 H new ATOM 0 HD22 LEU A 83 -3.978 31.036 17.381 1.00 10.73 H new ATOM 0 HD23 LEU A 83 -4.913 31.564 16.217 1.00 10.73 H new ATOM 650 N LEU A 84 -1.931 34.876 13.578 1.00 12.34 N ATOM 651 CA LEU A 84 -1.049 36.023 13.429 1.00 14.24 C ATOM 652 C LEU A 84 -1.802 37.330 13.223 1.00 15.71 C ATOM 653 O LEU A 84 -1.191 38.371 12.999 1.00 17.49 O ATOM 654 CB LEU A 84 -0.078 35.803 12.268 1.00 14.46 C ATOM 655 CG LEU A 84 0.894 34.636 12.424 1.00 13.29 C ATOM 656 CD1 LEU A 84 1.756 34.519 11.182 1.00 15.81 C ATOM 657 CD2 LEU A 84 1.754 34.832 13.670 1.00 15.36 C ATOM 0 H LEU A 84 -2.307 34.621 12.848 1.00 12.34 H new ATOM 0 HA LEU A 84 -0.559 36.101 14.262 1.00 14.24 H new ATOM 0 HB2 LEU A 84 -0.595 35.665 11.459 1.00 14.46 H new ATOM 0 HB3 LEU A 84 0.437 36.615 12.141 1.00 14.46 H new ATOM 0 HG LEU A 84 0.394 33.812 12.530 1.00 13.29 H new ATOM 0 HD11 LEU A 84 2.372 33.777 11.284 1.00 15.81 H new ATOM 0 HD12 LEU A 84 1.191 34.365 10.409 1.00 15.81 H new ATOM 0 HD13 LEU A 84 2.257 35.340 11.057 1.00 15.81 H new ATOM 0 HD21 LEU A 84 2.368 34.086 13.760 1.00 15.36 H new ATOM 0 HD22 LEU A 84 2.258 35.657 13.589 1.00 15.36 H new ATOM 0 HD23 LEU A 84 1.184 34.878 14.453 1.00 15.36 H new ATOM 658 N SER A 85 -3.122 37.280 13.333 1.00 15.96 N ATOM 659 CA SER A 85 -3.961 38.459 13.146 1.00 16.38 C ATOM 660 C SER A 85 -3.924 39.417 14.334 1.00 17.82 C ATOM 661 O SER A 85 -3.626 39.024 15.459 1.00 17.76 O ATOM 662 CB SER A 85 -5.397 38.026 12.910 1.00 17.14 C ATOM 663 OG SER A 85 -5.857 37.268 14.011 1.00 21.41 O ATOM 0 H SER A 85 -3.559 36.563 13.518 1.00 15.96 H new ATOM 0 HA SER A 85 -3.607 38.935 12.379 1.00 16.38 H new ATOM 0 HB2 SER A 85 -5.962 38.805 12.784 1.00 17.14 H new ATOM 0 HB3 SER A 85 -5.455 37.499 12.097 1.00 17.14 H new ATOM 0 HG SER A 85 -6.080 37.785 14.634 1.00 21.41 H new ATOM 664 N SER A 86 -4.255 40.678 14.075 1.00 18.23 N ATOM 665 CA SER A 86 -4.280 41.694 15.125 1.00 20.04 C ATOM 666 C SER A 86 -5.424 41.390 16.089 1.00 19.51 C ATOM 667 O SER A 86 -5.383 41.771 17.255 1.00 21.27 O ATOM 668 CB SER A 86 -4.436 43.082 14.508 1.00 20.36 C ATOM 669 OG SER A 86 -3.319 43.386 13.687 1.00 22.36 O ATOM 0 H SER A 86 -4.470 40.968 13.294 1.00 18.23 H new ATOM 0 HA SER A 86 -3.444 41.679 15.617 1.00 20.04 H new ATOM 0 HB2 SER A 86 -5.251 43.119 13.983 1.00 20.36 H new ATOM 0 HB3 SER A 86 -4.520 43.747 15.209 1.00 20.36 H new ATOM 0 HG SER A 86 -2.791 42.733 13.679 1.00 22.36 H new ATOM 670 N ASP A 87 -6.445 40.711 15.570 1.00 19.22 N ATOM 671 CA ASP A 87 -7.614 40.277 16.330 1.00 19.42 C ATOM 672 C ASP A 87 -7.144 39.006 17.054 1.00 18.21 C ATOM 673 O ASP A 87 -6.614 38.095 16.420 1.00 18.16 O ATOM 674 CB ASP A 87 -8.756 39.963 15.353 1.00 22.84 C ATOM 675 CG ASP A 87 -9.894 39.185 15.988 1.00 26.52 C ATOM 676 OD1 ASP A 87 -9.959 39.101 17.231 1.00 30.22 O ATOM 677 OD2 ASP A 87 -10.747 38.673 15.233 1.00 29.55 O ATOM 0 H ASP A 87 -6.477 40.484 14.741 1.00 19.22 H new ATOM 0 HA ASP A 87 -7.943 40.944 16.953 1.00 19.42 H new ATOM 0 HB2 ASP A 87 -9.103 40.794 14.993 1.00 22.84 H new ATOM 0 HB3 ASP A 87 -8.403 39.455 14.606 1.00 22.84 H new ATOM 678 N ILE A 88 -7.323 38.954 18.371 1.00 14.98 N ATOM 679 CA ILE A 88 -6.874 37.807 19.157 1.00 13.86 C ATOM 680 C ILE A 88 -7.858 36.650 19.303 1.00 13.46 C ATOM 681 O ILE A 88 -7.525 35.630 19.907 1.00 11.94 O ATOM 682 CB ILE A 88 -6.431 38.247 20.576 1.00 13.45 C ATOM 683 CG1 ILE A 88 -7.631 38.772 21.376 1.00 13.04 C ATOM 684 CG2 ILE A 88 -5.326 39.288 20.466 1.00 14.22 C ATOM 685 CD1 ILE A 88 -7.356 38.990 22.845 1.00 13.46 C ATOM 0 H ILE A 88 -7.703 39.574 18.830 1.00 14.98 H new ATOM 0 HA ILE A 88 -6.135 37.462 18.632 1.00 13.86 H new ATOM 0 HB ILE A 88 -6.079 37.482 21.057 1.00 13.45 H new ATOM 0 HG12 ILE A 88 -7.924 39.610 20.985 1.00 13.04 H new ATOM 0 HG13 ILE A 88 -8.365 38.145 21.285 1.00 13.04 H new ATOM 0 HG21 ILE A 88 -5.050 39.562 21.355 1.00 14.22 H new ATOM 0 HG22 ILE A 88 -4.568 38.907 19.996 1.00 14.22 H new ATOM 0 HG23 ILE A 88 -5.655 40.059 19.978 1.00 14.22 H new ATOM 0 HD11 ILE A 88 -8.158 39.320 23.279 1.00 13.46 H new ATOM 0 HD12 ILE A 88 -7.090 38.151 23.253 1.00 13.46 H new ATOM 0 HD13 ILE A 88 -6.643 39.639 22.948 1.00 13.46 H new ATOM 686 N THR A 89 -9.051 36.797 18.734 1.00 12.78 N ATOM 687 CA THR A 89 -10.100 35.782 18.834 1.00 13.10 C ATOM 688 C THR A 89 -9.652 34.336 18.592 1.00 11.11 C ATOM 689 O THR A 89 -9.898 33.468 19.432 1.00 12.20 O ATOM 690 CB THR A 89 -11.297 36.129 17.913 1.00 13.09 C ATOM 691 OG1 THR A 89 -11.837 37.397 18.308 1.00 14.97 O ATOM 692 CG2 THR A 89 -12.388 35.073 18.022 1.00 15.09 C ATOM 0 H THR A 89 -9.277 37.490 18.277 1.00 12.78 H new ATOM 0 HA THR A 89 -10.369 35.811 19.766 1.00 13.10 H new ATOM 0 HB THR A 89 -10.984 36.161 16.995 1.00 13.09 H new ATOM 0 HG1 THR A 89 -11.862 37.442 19.146 1.00 14.97 H new ATOM 0 HG21 THR A 89 -13.126 35.309 17.439 1.00 15.09 H new ATOM 0 HG22 THR A 89 -12.031 34.210 17.758 1.00 15.09 H new ATOM 0 HG23 THR A 89 -12.703 35.026 18.938 1.00 15.09 H new ATOM 693 N ALA A 90 -8.996 34.094 17.461 1.00 10.31 N ATOM 694 CA ALA A 90 -8.511 32.758 17.097 1.00 10.46 C ATOM 695 C ALA A 90 -7.536 32.193 18.135 1.00 9.98 C ATOM 696 O ALA A 90 -7.648 31.035 18.542 1.00 10.35 O ATOM 697 CB ALA A 90 -7.849 32.795 15.724 1.00 11.06 C ATOM 0 H ALA A 90 -8.817 34.701 16.878 1.00 10.31 H new ATOM 0 HA ALA A 90 -9.281 32.169 17.071 1.00 10.46 H new ATOM 0 HB1 ALA A 90 -7.532 31.908 15.493 1.00 11.06 H new ATOM 0 HB2 ALA A 90 -8.493 33.090 15.062 1.00 11.06 H new ATOM 0 HB3 ALA A 90 -7.100 33.411 15.742 1.00 11.06 H new ATOM 698 N SER A 91 -6.573 33.010 18.539 1.00 8.47 N ATOM 699 CA SER A 91 -5.588 32.601 19.528 1.00 8.02 C ATOM 700 C SER A 91 -6.239 32.270 20.871 1.00 8.84 C ATOM 701 O SER A 91 -5.904 31.259 21.490 1.00 9.20 O ATOM 702 CB SER A 91 -4.528 33.692 19.697 1.00 8.71 C ATOM 703 OG SER A 91 -3.700 33.789 18.552 1.00 8.42 O ATOM 0 H SER A 91 -6.472 33.813 18.249 1.00 8.47 H new ATOM 0 HA SER A 91 -5.161 31.792 19.206 1.00 8.02 H new ATOM 0 HB2 SER A 91 -4.962 34.545 19.858 1.00 8.71 H new ATOM 0 HB3 SER A 91 -3.984 33.499 20.476 1.00 8.71 H new ATOM 0 HG SER A 91 -2.937 33.487 18.731 1.00 8.42 H new ATOM 704 N VAL A 92 -7.180 33.110 21.308 1.00 8.44 N ATOM 705 CA VAL A 92 -7.876 32.899 22.575 1.00 9.83 C ATOM 706 C VAL A 92 -8.672 31.600 22.574 1.00 8.34 C ATOM 707 O VAL A 92 -8.590 30.811 23.513 1.00 8.71 O ATOM 708 CB VAL A 92 -8.841 34.061 22.908 1.00 10.09 C ATOM 709 CG1 VAL A 92 -9.628 33.746 24.171 1.00 11.15 C ATOM 710 CG2 VAL A 92 -8.064 35.348 23.091 1.00 11.75 C ATOM 0 H VAL A 92 -7.430 33.813 20.880 1.00 8.44 H new ATOM 0 HA VAL A 92 -7.182 32.854 23.251 1.00 9.83 H new ATOM 0 HB VAL A 92 -9.462 34.170 22.171 1.00 10.09 H new ATOM 0 HG11 VAL A 92 -10.229 34.481 24.370 1.00 11.15 H new ATOM 0 HG12 VAL A 92 -10.143 32.935 24.038 1.00 11.15 H new ATOM 0 HG13 VAL A 92 -9.015 33.621 24.912 1.00 11.15 H new ATOM 0 HG21 VAL A 92 -8.678 36.070 23.299 1.00 11.75 H new ATOM 0 HG22 VAL A 92 -7.430 35.243 23.818 1.00 11.75 H new ATOM 0 HG23 VAL A 92 -7.586 35.557 22.273 1.00 11.75 H new ATOM 711 N ASN A 93 -9.460 31.393 21.526 1.00 8.92 N ATOM 712 CA ASN A 93 -10.273 30.190 21.421 1.00 10.34 C ATOM 713 C ASN A 93 -9.417 28.929 21.396 1.00 8.77 C ATOM 714 O ASN A 93 -9.754 27.936 22.032 1.00 9.49 O ATOM 715 CB ASN A 93 -11.181 30.261 20.188 1.00 13.30 C ATOM 716 CG ASN A 93 -12.219 31.363 20.300 1.00 15.19 C ATOM 717 OD1 ASN A 93 -12.580 31.785 21.400 1.00 19.55 O ATOM 718 ND2 ASN A 93 -12.707 31.827 19.157 1.00 15.67 N ATOM 0 H ASN A 93 -9.538 31.937 20.865 1.00 8.92 H new ATOM 0 HA ASN A 93 -10.831 30.142 22.213 1.00 10.34 H new ATOM 0 HB2 ASN A 93 -10.639 30.409 19.398 1.00 13.30 H new ATOM 0 HB3 ASN A 93 -11.629 29.409 20.069 1.00 13.30 H new ATOM 0 HD21 ASN A 93 -13.301 32.449 19.164 1.00 15.67 H new ATOM 0 HD22 ASN A 93 -12.429 31.506 18.409 1.00 15.67 H new ATOM 719 N CYS A 94 -8.286 28.993 20.703 1.00 8.40 N ATOM 720 CA CYS A 94 -7.400 27.843 20.628 1.00 8.49 C ATOM 721 C CYS A 94 -6.707 27.633 21.976 1.00 8.08 C ATOM 722 O CYS A 94 -6.573 26.501 22.435 1.00 8.43 O ATOM 723 CB CYS A 94 -6.382 28.008 19.499 1.00 8.85 C ATOM 724 SG CYS A 94 -5.356 26.530 19.198 1.00 11.26 S ATOM 0 H CYS A 94 -8.016 29.687 20.273 1.00 8.40 H new ATOM 0 HA CYS A 94 -7.927 27.054 20.427 1.00 8.49 H new ATOM 0 HB2 CYS A 94 -6.854 28.234 18.682 1.00 8.85 H new ATOM 0 HB3 CYS A 94 -5.801 28.756 19.707 1.00 8.85 H new ATOM 725 N ALA A 95 -6.330 28.731 22.629 1.00 7.49 N ATOM 726 CA ALA A 95 -5.676 28.669 23.939 1.00 7.79 C ATOM 727 C ALA A 95 -6.599 28.022 24.977 1.00 8.24 C ATOM 728 O ALA A 95 -6.135 27.333 25.889 1.00 8.14 O ATOM 729 CB ALA A 95 -5.263 30.062 24.390 1.00 7.21 C ATOM 0 H ALA A 95 -6.444 29.529 22.329 1.00 7.49 H new ATOM 0 HA ALA A 95 -4.880 28.120 23.857 1.00 7.79 H new ATOM 0 HB1 ALA A 95 -4.832 30.007 25.257 1.00 7.21 H new ATOM 0 HB2 ALA A 95 -4.645 30.441 23.746 1.00 7.21 H new ATOM 0 HB3 ALA A 95 -6.048 30.627 24.455 1.00 7.21 H new ATOM 730 N LYS A 96 -7.906 28.244 24.826 1.00 7.95 N ATOM 731 CA LYS A 96 -8.899 27.667 25.724 1.00 9.37 C ATOM 732 C LYS A 96 -8.879 26.146 25.644 1.00 9.11 C ATOM 733 O LYS A 96 -9.116 25.467 26.644 1.00 11.53 O ATOM 734 CB LYS A 96 -10.294 28.200 25.407 1.00 11.61 C ATOM 735 CG LYS A 96 -10.500 29.632 25.861 1.00 12.35 C ATOM 736 CD LYS A 96 -11.903 30.096 25.561 1.00 14.03 C ATOM 737 CE LYS A 96 -12.148 31.477 26.117 1.00 15.02 C ATOM 738 NZ LYS A 96 -13.537 31.931 25.809 1.00 16.49 N ATOM 0 H LYS A 96 -8.238 28.732 24.201 1.00 7.95 H new ATOM 0 HA LYS A 96 -8.672 27.929 26.630 1.00 9.37 H new ATOM 0 HB2 LYS A 96 -10.446 28.144 24.451 1.00 11.61 H new ATOM 0 HB3 LYS A 96 -10.956 27.633 25.833 1.00 11.61 H new ATOM 0 HG2 LYS A 96 -10.329 29.701 26.813 1.00 12.35 H new ATOM 0 HG3 LYS A 96 -9.862 30.211 25.416 1.00 12.35 H new ATOM 0 HD2 LYS A 96 -12.048 30.100 24.602 1.00 14.03 H new ATOM 0 HD3 LYS A 96 -12.541 29.473 25.942 1.00 14.03 H new ATOM 0 HE2 LYS A 96 -12.009 31.474 27.077 1.00 15.02 H new ATOM 0 HE3 LYS A 96 -11.508 32.101 25.740 1.00 15.02 H new ATOM 0 HZ1 LYS A 96 -13.564 32.821 25.802 1.00 16.49 H new ATOM 0 HZ2 LYS A 96 -13.781 31.621 25.011 1.00 16.49 H new ATOM 0 HZ3 LYS A 96 -14.095 31.622 26.430 1.00 16.49 H new ATOM 739 N LYS A 97 -8.590 25.620 24.457 1.00 8.70 N ATOM 740 CA LYS A 97 -8.493 24.174 24.267 1.00 10.21 C ATOM 741 C LYS A 97 -7.169 23.668 24.826 1.00 9.48 C ATOM 742 O LYS A 97 -7.130 22.634 25.493 1.00 10.60 O ATOM 743 CB LYS A 97 -8.612 23.794 22.787 1.00 11.44 C ATOM 744 CG LYS A 97 -9.993 24.058 22.218 1.00 15.66 C ATOM 745 CD LYS A 97 -10.180 23.423 20.854 1.00 19.48 C ATOM 746 CE LYS A 97 -11.555 23.762 20.284 1.00 20.35 C ATOM 747 NZ LYS A 97 -12.675 23.383 21.193 1.00 22.79 N ATOM 0 H LYS A 97 -8.446 26.084 23.747 1.00 8.70 H new ATOM 0 HA LYS A 97 -9.229 23.758 24.743 1.00 10.21 H new ATOM 0 HB2 LYS A 97 -7.956 24.293 22.276 1.00 11.44 H new ATOM 0 HB3 LYS A 97 -8.398 22.854 22.681 1.00 11.44 H new ATOM 0 HG2 LYS A 97 -10.664 23.714 22.828 1.00 15.66 H new ATOM 0 HG3 LYS A 97 -10.136 25.015 22.150 1.00 15.66 H new ATOM 0 HD2 LYS A 97 -9.488 23.735 20.250 1.00 19.48 H new ATOM 0 HD3 LYS A 97 -10.082 22.460 20.924 1.00 19.48 H new ATOM 0 HE2 LYS A 97 -11.599 24.714 20.105 1.00 20.35 H new ATOM 0 HE3 LYS A 97 -11.668 23.308 19.434 1.00 20.35 H new ATOM 0 HZ1 LYS A 97 -13.446 23.437 20.753 1.00 22.79 H new ATOM 0 HZ2 LYS A 97 -12.556 22.549 21.480 1.00 22.79 H new ATOM 0 HZ3 LYS A 97 -12.692 23.936 21.890 1.00 22.79 H new ATOM 748 N ILE A 98 -6.094 24.416 24.583 1.00 7.65 N ATOM 749 CA ILE A 98 -4.773 24.030 25.065 1.00 7.61 C ATOM 750 C ILE A 98 -4.693 23.950 26.594 1.00 8.05 C ATOM 751 O ILE A 98 -4.176 22.966 27.134 1.00 8.22 O ATOM 752 CB ILE A 98 -3.665 24.974 24.534 1.00 8.97 C ATOM 753 CG1 ILE A 98 -3.614 24.904 23.005 1.00 9.51 C ATOM 754 CG2 ILE A 98 -2.302 24.597 25.136 1.00 8.79 C ATOM 755 CD1 ILE A 98 -2.694 25.909 22.352 1.00 11.66 C ATOM 0 H ILE A 98 -6.110 25.153 24.139 1.00 7.65 H new ATOM 0 HA ILE A 98 -4.623 23.139 24.713 1.00 7.61 H new ATOM 0 HB ILE A 98 -3.872 25.883 24.801 1.00 8.97 H new ATOM 0 HG12 ILE A 98 -3.335 24.012 22.744 1.00 9.51 H new ATOM 0 HG13 ILE A 98 -4.511 25.033 22.658 1.00 9.51 H new ATOM 0 HG21 ILE A 98 -1.620 25.196 24.794 1.00 8.79 H new ATOM 0 HG22 ILE A 98 -2.343 24.672 26.102 1.00 8.79 H new ATOM 0 HG23 ILE A 98 -2.082 23.684 24.892 1.00 8.79 H new ATOM 0 HD11 ILE A 98 -2.722 25.796 21.389 1.00 11.66 H new ATOM 0 HD12 ILE A 98 -2.981 26.807 22.580 1.00 11.66 H new ATOM 0 HD13 ILE A 98 -1.787 25.770 22.667 1.00 11.66 H new ATOM 756 N VAL A 99 -5.211 24.967 27.288 1.00 7.60 N ATOM 757 CA VAL A 99 -5.166 24.991 28.755 1.00 7.84 C ATOM 758 C VAL A 99 -6.022 23.896 29.404 1.00 8.56 C ATOM 759 O VAL A 99 -5.810 23.538 30.561 1.00 10.07 O ATOM 760 CB VAL A 99 -5.555 26.392 29.323 1.00 7.62 C ATOM 761 CG1 VAL A 99 -7.061 26.625 29.217 1.00 7.60 C ATOM 762 CG2 VAL A 99 -5.078 26.537 30.765 1.00 7.94 C ATOM 0 H VAL A 99 -5.592 25.650 26.931 1.00 7.60 H new ATOM 0 HA VAL A 99 -4.243 24.807 28.989 1.00 7.84 H new ATOM 0 HB VAL A 99 -5.113 27.070 28.789 1.00 7.62 H new ATOM 0 HG11 VAL A 99 -7.279 27.500 29.575 1.00 7.60 H new ATOM 0 HG12 VAL A 99 -7.331 26.581 28.286 1.00 7.60 H new ATOM 0 HG13 VAL A 99 -7.531 25.943 29.722 1.00 7.60 H new ATOM 0 HG21 VAL A 99 -5.327 27.412 31.102 1.00 7.94 H new ATOM 0 HG22 VAL A 99 -5.490 25.850 31.313 1.00 7.94 H new ATOM 0 HG23 VAL A 99 -4.113 26.441 30.798 1.00 7.94 H new ATOM 763 N SER A 100 -6.983 23.367 28.653 1.00 9.86 N ATOM 764 CA SER A 100 -7.849 22.300 29.153 1.00 11.99 C ATOM 765 C SER A 100 -7.309 20.923 28.735 1.00 12.40 C ATOM 766 O SER A 100 -7.927 19.900 29.029 1.00 14.40 O ATOM 767 CB SER A 100 -9.268 22.464 28.584 1.00 14.14 C ATOM 768 OG SER A 100 -9.807 23.747 28.844 1.00 14.77 O ATOM 0 H SER A 100 -7.152 23.613 27.846 1.00 9.86 H new ATOM 0 HA SER A 100 -7.869 22.359 30.121 1.00 11.99 H new ATOM 0 HB2 SER A 100 -9.250 22.311 27.626 1.00 14.14 H new ATOM 0 HB3 SER A 100 -9.848 21.788 28.968 1.00 14.14 H new ATOM 0 HG SER A 100 -9.614 24.265 28.212 1.00 14.77 H new ATOM 769 N ASP A 101 -6.138 20.902 28.099 1.00 11.57 N ATOM 770 CA ASP A 101 -5.536 19.671 27.590 1.00 11.75 C ATOM 771 C ASP A 101 -4.733 18.808 28.580 1.00 11.65 C ATOM 772 O ASP A 101 -3.871 18.019 28.169 1.00 12.08 O ATOM 773 CB ASP A 101 -4.692 19.993 26.341 1.00 11.83 C ATOM 774 CG ASP A 101 -4.577 18.815 25.379 1.00 11.84 C ATOM 775 OD1 ASP A 101 -5.567 18.076 25.203 1.00 13.55 O ATOM 776 OD2 ASP A 101 -3.496 18.642 24.784 1.00 12.62 O ATOM 0 H ASP A 101 -5.668 21.607 27.950 1.00 11.57 H new ATOM 0 HA ASP A 101 -6.295 19.105 27.381 1.00 11.75 H new ATOM 0 HB2 ASP A 101 -5.087 20.747 25.876 1.00 11.83 H new ATOM 0 HB3 ASP A 101 -3.803 20.265 26.619 1.00 11.83 H new ATOM 777 N GLY A 102 -4.988 18.979 29.875 1.00 11.94 N ATOM 778 CA GLY A 102 -4.313 18.164 30.871 1.00 12.27 C ATOM 779 C GLY A 102 -3.055 18.666 31.559 1.00 13.10 C ATOM 780 O GLY A 102 -2.499 17.954 32.400 1.00 14.17 O ATOM 0 H GLY A 102 -5.542 19.555 30.192 1.00 11.94 H new ATOM 0 HA2 GLY A 102 -4.960 17.968 31.566 1.00 12.27 H new ATOM 0 HA3 GLY A 102 -4.089 17.321 30.446 1.00 12.27 H new ATOM 781 N ASN A 103 -2.602 19.872 31.229 1.00 12.16 N ATOM 782 CA ASN A 103 -1.395 20.433 31.848 1.00 11.69 C ATOM 783 C ASN A 103 -1.616 21.885 32.297 1.00 11.08 C ATOM 784 O ASN A 103 -0.674 22.555 32.730 1.00 10.72 O ATOM 785 CB ASN A 103 -0.209 20.382 30.871 1.00 12.13 C ATOM 786 CG ASN A 103 0.118 18.965 30.411 1.00 13.09 C ATOM 787 OD1 ASN A 103 -0.201 18.662 29.158 1.00 14.61 O flip ATOM 788 ND2 ASN A 103 0.652 18.158 31.174 1.00 12.71 N flip ATOM 0 H ASN A 103 -2.976 20.385 30.649 1.00 12.16 H new ATOM 0 HA ASN A 103 -1.196 19.892 32.628 1.00 11.69 H new ATOM 0 HB2 ASN A 103 -0.410 20.931 30.097 1.00 12.13 H new ATOM 0 HB3 ASN A 103 0.572 20.768 31.297 1.00 12.13 H new ATOM 0 HD21 ASN A 103 0.844 18.390 31.979 1.00 12.71 H new ATOM 0 HD22 ASN A 103 0.832 17.363 30.901 1.00 12.71 H new ATOM 789 N GLY A 104 -2.857 22.357 32.191 1.00 10.82 N ATOM 790 CA GLY A 104 -3.168 23.723 32.568 1.00 10.33 C ATOM 791 C GLY A 104 -2.296 24.691 31.788 1.00 9.35 C ATOM 792 O GLY A 104 -2.014 24.465 30.610 1.00 9.44 O ATOM 0 H GLY A 104 -3.527 21.901 31.904 1.00 10.82 H new ATOM 0 HA2 GLY A 104 -4.104 23.909 32.395 1.00 10.33 H new ATOM 0 HA3 GLY A 104 -3.026 23.844 33.520 1.00 10.33 H new ATOM 793 N MET A 105 -1.805 25.734 32.456 1.00 8.55 N ATOM 794 CA MET A 105 -0.964 26.712 31.779 1.00 7.93 C ATOM 795 C MET A 105 0.485 26.299 31.579 1.00 7.10 C ATOM 796 O MET A 105 1.249 26.999 30.916 1.00 7.75 O ATOM 797 CB MET A 105 -1.069 28.083 32.443 1.00 8.23 C ATOM 798 CG MET A 105 -2.410 28.737 32.195 1.00 8.06 C ATOM 799 SD MET A 105 -2.400 30.491 32.542 1.00 9.96 S ATOM 800 CE MET A 105 -1.502 31.098 31.131 1.00 10.53 C ATOM 0 H MET A 105 -1.946 25.890 33.290 1.00 8.55 H new ATOM 0 HA MET A 105 -1.324 26.765 30.880 1.00 7.93 H new ATOM 0 HB2 MET A 105 -0.928 27.990 33.398 1.00 8.23 H new ATOM 0 HB3 MET A 105 -0.364 28.658 32.107 1.00 8.23 H new ATOM 0 HG2 MET A 105 -2.668 28.596 31.271 1.00 8.06 H new ATOM 0 HG3 MET A 105 -3.082 28.306 32.746 1.00 8.06 H new ATOM 0 HE1 MET A 105 -1.620 32.058 31.061 1.00 10.53 H new ATOM 0 HE2 MET A 105 -0.559 30.895 31.236 1.00 10.53 H new ATOM 0 HE3 MET A 105 -1.837 30.672 30.326 1.00 10.53 H new ATOM 801 N ASN A 106 0.843 25.126 32.098 1.00 7.70 N ATOM 802 CA ASN A 106 2.192 24.600 31.938 1.00 8.17 C ATOM 803 C ASN A 106 2.523 24.355 30.460 1.00 6.99 C ATOM 804 O ASN A 106 3.680 24.166 30.096 1.00 9.59 O ATOM 805 CB ASN A 106 2.347 23.317 32.754 1.00 9.71 C ATOM 806 CG ASN A 106 2.321 23.579 34.247 1.00 10.44 C ATOM 807 OD1 ASN A 106 3.206 24.247 34.783 1.00 10.98 O ATOM 808 ND2 ASN A 106 1.294 23.077 34.921 1.00 11.77 N ATOM 0 H ASN A 106 0.315 24.619 32.548 1.00 7.70 H new ATOM 0 HA ASN A 106 2.822 25.260 32.268 1.00 8.17 H new ATOM 0 HB2 ASN A 106 1.634 22.701 32.523 1.00 9.71 H new ATOM 0 HB3 ASN A 106 3.183 22.885 32.518 1.00 9.71 H new ATOM 0 HD21 ASN A 106 1.227 23.214 35.767 1.00 11.77 H new ATOM 0 HD22 ASN A 106 0.695 22.615 34.511 1.00 11.77 H new ATOM 809 N ALA A 107 1.494 24.390 29.617 1.00 7.54 N ATOM 810 CA ALA A 107 1.646 24.204 28.175 1.00 8.10 C ATOM 811 C ALA A 107 2.516 25.320 27.594 1.00 7.72 C ATOM 812 O ALA A 107 3.145 25.149 26.550 1.00 10.32 O ATOM 813 CB ALA A 107 0.279 24.200 27.498 1.00 8.28 C ATOM 0 H ALA A 107 0.682 24.523 29.867 1.00 7.54 H new ATOM 0 HA ALA A 107 2.077 23.350 28.012 1.00 8.10 H new ATOM 0 HB1 ALA A 107 0.391 24.076 26.543 1.00 8.28 H new ATOM 0 HB2 ALA A 107 -0.258 23.476 27.857 1.00 8.28 H new ATOM 0 HB3 ALA A 107 -0.167 25.045 27.664 1.00 8.28 H new ATOM 814 N TRP A 108 2.538 26.463 28.277 1.00 6.83 N ATOM 815 CA TRP A 108 3.337 27.604 27.848 1.00 8.02 C ATOM 816 C TRP A 108 4.613 27.677 28.682 1.00 7.88 C ATOM 817 O TRP A 108 4.568 28.047 29.859 1.00 7.95 O ATOM 818 CB TRP A 108 2.522 28.899 27.968 1.00 7.54 C ATOM 819 CG TRP A 108 1.437 28.994 26.921 1.00 6.23 C ATOM 820 CD1 TRP A 108 1.582 29.422 25.635 1.00 7.03 C ATOM 821 CD2 TRP A 108 0.057 28.621 27.068 1.00 6.68 C ATOM 822 NE1 TRP A 108 0.383 29.337 24.970 1.00 8.67 N ATOM 823 CE2 TRP A 108 -0.571 28.849 25.822 1.00 6.42 C ATOM 824 CE3 TRP A 108 -0.709 28.114 28.127 1.00 6.40 C ATOM 825 CZ2 TRP A 108 -1.930 28.587 25.608 1.00 6.82 C ATOM 826 CZ3 TRP A 108 -2.059 27.853 27.912 1.00 7.26 C ATOM 827 CH2 TRP A 108 -2.656 28.091 26.659 1.00 6.21 C ATOM 0 H TRP A 108 2.091 26.597 28.999 1.00 6.83 H new ATOM 0 HA TRP A 108 3.583 27.494 26.916 1.00 8.02 H new ATOM 0 HB2 TRP A 108 2.122 28.946 28.850 1.00 7.54 H new ATOM 0 HB3 TRP A 108 3.116 29.661 27.885 1.00 7.54 H new ATOM 0 HD1 TRP A 108 2.377 29.727 25.262 1.00 7.03 H new ATOM 0 HE1 TRP A 108 0.252 29.556 24.149 1.00 8.67 H new ATOM 0 HE3 TRP A 108 -0.322 27.955 28.958 1.00 6.40 H new ATOM 0 HZ2 TRP A 108 -2.326 28.744 24.781 1.00 6.82 H new ATOM 0 HZ3 TRP A 108 -2.576 27.516 28.608 1.00 7.26 H new ATOM 0 HH2 TRP A 108 -3.560 27.908 26.543 1.00 6.21 H new ATOM 828 N VAL A 109 5.746 27.333 28.064 1.00 9.19 N ATOM 829 CA VAL A 109 7.035 27.323 28.765 1.00 10.17 C ATOM 830 C VAL A 109 7.426 28.664 29.374 1.00 10.04 C ATOM 831 O VAL A 109 7.971 28.701 30.471 1.00 10.21 O ATOM 832 CB AVAL A 109 8.192 26.832 27.864 0.45 11.64 C ATOM 833 CG1AVAL A 109 9.397 26.470 28.716 0.45 12.25 C ATOM 834 CG2AVAL A 109 7.760 25.641 27.037 0.45 13.63 C ATOM 835 CB BVAL A 109 8.198 26.849 27.850 0.39 11.34 C ATOM 836 CG1BVAL A 109 7.902 25.494 27.287 0.39 12.80 C ATOM 837 CG2BVAL A 109 8.445 27.842 26.722 0.39 11.61 C ATOM 0 H VAL A 109 5.790 27.102 27.237 1.00 9.19 H new ATOM 0 HA VAL A 109 6.896 26.696 29.492 1.00 10.17 H new ATOM 0 HB AVAL A 109 8.436 27.550 27.259 0.45 11.34 H new ATOM 0 HB BVAL A 109 9.001 26.796 28.391 0.39 11.34 H new ATOM 0 HG11AVAL A 109 10.118 26.163 28.144 0.45 12.80 H new ATOM 0 HG11BVAL A 109 8.636 25.212 26.719 0.39 12.80 H new ATOM 0 HG12AVAL A 109 9.689 27.251 29.212 0.45 12.80 H new ATOM 0 HG12BVAL A 109 7.793 24.859 28.012 0.39 12.80 H new ATOM 0 HG13AVAL A 109 9.155 25.765 29.336 0.45 12.80 H new ATOM 0 HG13BVAL A 109 7.085 25.532 26.765 0.39 12.80 H new ATOM 0 HG21AVAL A 109 8.498 25.349 26.480 0.45 11.61 H new ATOM 0 HG21BVAL A 109 9.174 27.525 26.166 0.39 11.61 H new ATOM 0 HG22AVAL A 109 7.494 24.918 27.626 0.45 11.61 H new ATOM 0 HG22BVAL A 109 7.642 27.928 26.185 0.39 11.61 H new ATOM 0 HG23AVAL A 109 7.011 25.892 26.474 0.45 11.61 H new ATOM 0 HG23BVAL A 109 8.677 28.706 27.096 0.39 11.61 H new ATOM 838 N ALA A 110 7.168 29.758 28.663 1.00 10.12 N ATOM 839 CA ALA A 110 7.509 31.079 29.184 1.00 9.65 C ATOM 840 C ALA A 110 6.648 31.403 30.403 1.00 9.17 C ATOM 841 O ALA A 110 7.095 32.101 31.306 1.00 9.82 O ATOM 842 CB ALA A 110 7.356 32.147 28.115 1.00 9.60 C ATOM 0 H ALA A 110 6.800 29.759 27.886 1.00 10.12 H new ATOM 0 HA ALA A 110 8.440 31.068 29.456 1.00 9.65 H new ATOM 0 HB1 ALA A 110 7.588 33.012 28.486 1.00 9.60 H new ATOM 0 HB2 ALA A 110 7.945 31.947 27.371 1.00 9.60 H new ATOM 0 HB3 ALA A 110 6.437 32.165 27.804 1.00 9.60 H new ATOM 843 N TRP A 111 5.413 30.908 30.426 1.00 8.20 N ATOM 844 CA TRP A 111 4.550 31.138 31.573 1.00 9.22 C ATOM 845 C TRP A 111 5.103 30.379 32.777 1.00 10.09 C ATOM 846 O TRP A 111 5.161 30.903 33.882 1.00 10.05 O ATOM 847 CB TRP A 111 3.116 30.677 31.310 1.00 8.17 C ATOM 848 CG TRP A 111 2.261 30.736 32.550 1.00 7.67 C ATOM 849 CD1 TRP A 111 1.589 31.823 33.033 1.00 7.43 C ATOM 850 CD2 TRP A 111 2.023 29.675 33.486 1.00 8.01 C ATOM 851 NE1 TRP A 111 0.952 31.511 34.205 1.00 7.08 N ATOM 852 CE2 TRP A 111 1.196 30.196 34.507 1.00 8.36 C ATOM 853 CE3 TRP A 111 2.426 28.329 33.560 1.00 8.97 C ATOM 854 CZ2 TRP A 111 0.760 29.420 35.592 1.00 9.38 C ATOM 855 CZ3 TRP A 111 1.992 27.557 34.639 1.00 9.16 C ATOM 856 CH2 TRP A 111 1.166 28.106 35.639 1.00 7.77 C ATOM 0 H TRP A 111 5.062 30.442 29.794 1.00 8.20 H new ATOM 0 HA TRP A 111 4.532 32.092 31.745 1.00 9.22 H new ATOM 0 HB2 TRP A 111 2.721 31.233 30.620 1.00 8.17 H new ATOM 0 HB3 TRP A 111 3.127 29.769 30.970 1.00 8.17 H new ATOM 0 HD1 TRP A 111 1.567 32.658 32.624 1.00 7.43 H new ATOM 0 HE1 TRP A 111 0.476 32.052 34.675 1.00 7.08 H new ATOM 0 HE3 TRP A 111 2.971 27.961 32.903 1.00 8.97 H new ATOM 0 HZ2 TRP A 111 0.217 29.781 36.255 1.00 9.38 H new ATOM 0 HZ3 TRP A 111 2.252 26.666 34.698 1.00 9.16 H new ATOM 0 HH2 TRP A 111 0.889 27.569 36.346 1.00 7.77 H new ATOM 857 N ARG A 112 5.470 29.124 32.550 1.00 10.80 N ATOM 858 CA ARG A 112 6.003 28.272 33.601 1.00 12.82 C ATOM 859 C ARG A 112 7.324 28.834 34.154 1.00 13.01 C ATOM 860 O ARG A 112 7.547 28.842 35.366 1.00 13.47 O ATOM 861 CB ARG A 112 6.165 26.846 33.046 1.00 13.93 C ATOM 862 CG ARG A 112 6.717 25.817 34.012 1.00 17.22 C ATOM 863 CD ARG A 112 8.230 25.694 33.875 1.00 21.87 C ATOM 864 NE ARG A 112 8.807 24.724 34.806 1.00 23.62 N ATOM 865 CZ ARG A 112 10.098 24.411 34.864 1.00 23.35 C ATOM 866 NH1 ARG A 112 10.966 24.988 34.045 1.00 22.59 N ATOM 867 NH2 ARG A 112 10.523 23.526 35.756 1.00 25.12 N ATOM 0 H ARG A 112 5.417 28.743 31.781 1.00 10.80 H new ATOM 0 HA ARG A 112 5.386 28.247 34.349 1.00 12.82 H new ATOM 0 HB2 ARG A 112 5.299 26.539 32.734 1.00 13.93 H new ATOM 0 HB3 ARG A 112 6.749 26.883 32.272 1.00 13.93 H new ATOM 0 HG2 ARG A 112 6.491 26.068 34.921 1.00 17.22 H new ATOM 0 HG3 ARG A 112 6.303 24.956 33.844 1.00 17.22 H new ATOM 0 HD2 ARG A 112 8.448 25.433 32.967 1.00 21.87 H new ATOM 0 HD3 ARG A 112 8.636 26.562 34.026 1.00 21.87 H new ATOM 0 HE ARG A 112 8.274 24.329 35.354 1.00 23.62 H new ATOM 0 HH11 ARG A 112 10.695 25.569 33.471 1.00 22.59 H new ATOM 0 HH12 ARG A 112 11.800 24.782 34.087 1.00 22.59 H new ATOM 0 HH21 ARG A 112 9.964 23.156 36.295 1.00 25.12 H new ATOM 0 HH22 ARG A 112 11.358 23.322 35.795 1.00 25.12 H new ATOM 868 N ASN A 113 8.161 29.365 33.268 1.00 14.03 N ATOM 869 CA ASN A 113 9.461 29.913 33.664 1.00 15.84 C ATOM 870 C ASN A 113 9.473 31.327 34.247 1.00 17.03 C ATOM 871 O ASN A 113 10.333 31.643 35.067 1.00 17.19 O ATOM 872 CB ASN A 113 10.434 29.864 32.483 1.00 16.84 C ATOM 873 CG ASN A 113 10.841 28.453 32.115 1.00 17.18 C ATOM 874 OD1 ASN A 113 10.758 27.546 32.935 1.00 21.09 O ATOM 875 ND2 ASN A 113 11.267 28.262 30.877 1.00 18.94 N ATOM 0 H ASN A 113 7.996 29.419 32.426 1.00 14.03 H new ATOM 0 HA ASN A 113 9.731 29.338 34.397 1.00 15.84 H new ATOM 0 HB2 ASN A 113 10.024 30.289 31.714 1.00 16.84 H new ATOM 0 HB3 ASN A 113 11.227 30.378 32.701 1.00 16.84 H new ATOM 0 HD21 ASN A 113 11.500 27.475 30.619 1.00 18.94 H new ATOM 0 HD22 ASN A 113 11.311 28.925 30.330 1.00 18.94 H new ATOM 876 N ARG A 114 8.531 32.175 33.835 1.00 17.14 N ATOM 877 CA ARG A 114 8.511 33.560 34.312 1.00 17.93 C ATOM 878 C ARG A 114 7.219 34.071 34.972 1.00 16.01 C ATOM 879 O ARG A 114 7.197 35.199 35.472 1.00 16.99 O ATOM 880 CB AARG A 114 8.906 34.512 33.171 0.48 20.11 C ATOM 881 CG AARG A 114 10.346 34.371 32.694 0.48 23.13 C ATOM 882 CD AARG A 114 10.918 35.718 32.264 0.48 25.55 C ATOM 883 NE AARG A 114 11.007 35.881 30.813 0.48 27.51 N ATOM 884 CZ AARG A 114 11.593 36.916 30.211 0.48 28.39 C ATOM 885 NH1AARG A 114 12.125 37.898 30.930 0.48 29.51 N ATOM 886 NH2AARG A 114 11.632 36.983 28.887 0.48 28.50 N ATOM 887 CB BARG A 114 8.928 34.505 33.177 0.36 19.71 C ATOM 888 CG BARG A 114 10.256 34.141 32.514 0.36 22.12 C ATOM 889 CD BARG A 114 10.614 35.060 31.358 0.36 24.35 C ATOM 890 NE BARG A 114 11.230 36.320 31.793 0.36 26.72 N ATOM 891 CZ BARG A 114 11.734 37.223 30.966 0.36 27.75 C ATOM 892 NH1BARG A 114 11.710 37.024 29.651 0.36 28.66 N ATOM 893 NH2BARG A 114 12.241 38.353 31.439 0.36 28.23 N ATOM 0 H ARG A 114 7.901 31.973 33.286 1.00 17.14 H new ATOM 0 HA ARG A 114 9.157 33.553 35.036 1.00 17.93 H new ATOM 0 HB2AARG A 114 8.313 34.360 32.419 0.48 19.71 H new ATOM 0 HB2BARG A 114 8.232 34.510 32.502 0.36 19.71 H new ATOM 0 HB3AARG A 114 8.763 35.426 33.464 0.48 19.71 H new ATOM 0 HB3BARG A 114 8.990 35.407 33.527 0.36 19.71 H new ATOM 0 HG2AARG A 114 10.890 33.998 33.405 0.48 22.12 H new ATOM 0 HG2BARG A 114 10.963 34.174 33.178 0.36 22.12 H new ATOM 0 HG3AARG A 114 10.384 33.748 31.951 0.48 22.12 H new ATOM 0 HG3BARG A 114 10.211 33.227 32.192 0.36 22.12 H new ATOM 0 HD2AARG A 114 10.365 36.427 32.628 0.48 24.35 H new ATOM 0 HD2BARG A 114 11.223 34.598 30.761 0.36 24.35 H new ATOM 0 HD3AARG A 114 11.802 35.823 32.648 0.48 24.35 H new ATOM 0 HD3BARG A 114 9.812 35.257 30.848 0.36 24.35 H new ATOM 0 HE AARG A 114 10.659 35.271 30.317 0.48 26.72 H new ATOM 0 HE BARG A 114 11.266 36.481 32.637 0.36 26.72 H new ATOM 0 HH11AARG A 114 12.093 37.868 31.789 0.48 28.66 H new ATOM 0 HH11BARG A 114 11.365 36.304 29.331 0.36 28.66 H new ATOM 0 HH12AARG A 114 12.502 38.563 30.537 0.48 28.66 H new ATOM 0 HH12BARG A 114 12.039 37.615 29.121 0.36 28.66 H new ATOM 0 HH21AARG A 114 11.279 36.358 28.414 0.48 28.23 H new ATOM 0 HH21BARG A 114 12.243 38.502 32.286 0.36 28.23 H new ATOM 0 HH22AARG A 114 12.011 37.652 28.501 0.48 28.23 H new ATOM 0 HH22BARG A 114 12.567 38.937 30.899 0.36 28.23 H new ATOM 894 N CYS A 115 6.167 33.252 35.015 1.00 12.44 N ATOM 895 CA CYS A 115 4.894 33.669 35.606 1.00 10.76 C ATOM 896 C CYS A 115 4.393 32.779 36.719 1.00 11.28 C ATOM 897 O CYS A 115 3.796 33.258 37.688 1.00 11.25 O ATOM 898 CB CYS A 115 3.805 33.720 34.544 1.00 9.83 C ATOM 899 SG CYS A 115 4.252 34.721 33.110 1.00 9.56 S ATOM 0 H CYS A 115 6.170 32.449 34.707 1.00 12.44 H new ATOM 0 HA CYS A 115 5.079 34.543 35.985 1.00 10.76 H new ATOM 0 HB2 CYS A 115 3.605 32.817 34.251 1.00 9.83 H new ATOM 0 HB3 CYS A 115 2.994 34.076 34.939 1.00 9.83 H new ATOM 900 N LYS A 116 4.566 31.475 36.543 1.00 11.51 N ATOM 901 CA LYS A 116 4.107 30.502 37.526 1.00 11.28 C ATOM 902 C LYS A 116 4.637 30.795 38.926 1.00 10.51 C ATOM 903 O LYS A 116 5.844 30.938 39.127 1.00 11.48 O ATOM 904 CB LYS A 116 4.517 29.095 37.092 1.00 12.37 C ATOM 905 CG LYS A 116 3.865 27.973 37.882 1.00 11.47 C ATOM 906 CD LYS A 116 4.270 26.633 37.295 1.00 12.12 C ATOM 907 CE LYS A 116 3.605 25.474 38.017 1.00 11.87 C ATOM 908 NZ LYS A 116 4.089 24.185 37.469 1.00 11.47 N ATOM 0 H LYS A 116 4.950 31.130 35.855 1.00 11.51 H new ATOM 0 HA LYS A 116 3.140 30.565 37.568 1.00 11.28 H new ATOM 0 HB2 LYS A 116 4.299 28.983 36.154 1.00 12.37 H new ATOM 0 HB3 LYS A 116 5.480 29.013 37.171 1.00 12.37 H new ATOM 0 HG2 LYS A 116 4.133 28.023 38.813 1.00 11.47 H new ATOM 0 HG3 LYS A 116 2.900 28.068 37.859 1.00 11.47 H new ATOM 0 HD2 LYS A 116 4.032 26.607 36.355 1.00 12.12 H new ATOM 0 HD3 LYS A 116 5.234 26.536 37.347 1.00 12.12 H new ATOM 0 HE2 LYS A 116 3.798 25.522 38.966 1.00 11.87 H new ATOM 0 HE3 LYS A 116 2.642 25.533 37.920 1.00 11.87 H new ATOM 0 HZ1 LYS A 116 3.785 23.516 37.971 1.00 11.47 H new ATOM 0 HZ2 LYS A 116 3.794 24.087 36.635 1.00 11.47 H new ATOM 0 HZ3 LYS A 116 4.979 24.177 37.471 1.00 11.47 H new ATOM 909 N GLY A 117 3.710 30.942 39.866 1.00 11.05 N ATOM 910 CA GLY A 117 4.064 31.202 41.254 1.00 12.48 C ATOM 911 C GLY A 117 4.418 32.630 41.647 1.00 12.59 C ATOM 912 O GLY A 117 4.659 32.901 42.825 1.00 13.28 O ATOM 0 H GLY A 117 2.864 30.894 39.718 1.00 11.05 H new ATOM 0 HA2 GLY A 117 3.321 30.917 41.808 1.00 12.48 H new ATOM 0 HA3 GLY A 117 4.819 30.636 41.479 1.00 12.48 H new ATOM 913 N THR A 118 4.476 33.539 40.674 1.00 12.35 N ATOM 914 CA THR A 118 4.801 34.942 40.944 1.00 11.33 C ATOM 915 C THR A 118 3.529 35.746 41.237 1.00 10.01 C ATOM 916 O THR A 118 2.419 35.219 41.182 1.00 9.90 O ATOM 917 CB THR A 118 5.527 35.595 39.742 1.00 11.14 C ATOM 918 OG1 THR A 118 4.602 35.782 38.666 1.00 11.87 O ATOM 919 CG2 THR A 118 6.668 34.724 39.260 1.00 12.58 C ATOM 0 H THR A 118 4.330 33.363 39.845 1.00 12.35 H new ATOM 0 HA THR A 118 5.387 34.953 41.717 1.00 11.33 H new ATOM 0 HB THR A 118 5.884 36.449 40.032 1.00 11.14 H new ATOM 0 HG1 THR A 118 4.371 35.034 38.362 1.00 11.87 H new ATOM 0 HG21 THR A 118 7.107 35.152 38.508 1.00 12.58 H new ATOM 0 HG22 THR A 118 7.307 34.600 39.979 1.00 12.58 H new ATOM 0 HG23 THR A 118 6.322 33.861 38.983 1.00 12.58 H new ATOM 920 N ASP A 119 3.699 37.025 41.556 1.00 10.51 N ATOM 921 CA ASP A 119 2.565 37.907 41.826 1.00 11.85 C ATOM 922 C ASP A 119 2.056 38.375 40.452 1.00 12.42 C ATOM 923 O ASP A 119 2.419 39.457 39.974 1.00 12.28 O ATOM 924 CB ASP A 119 3.033 39.097 42.681 1.00 15.40 C ATOM 925 CG ASP A 119 1.913 40.082 43.006 1.00 16.48 C ATOM 926 OD1 ASP A 119 0.719 39.723 42.919 1.00 17.96 O ATOM 927 OD2 ASP A 119 2.239 41.232 43.362 1.00 22.04 O ATOM 0 H ASP A 119 4.468 37.405 41.622 1.00 10.51 H new ATOM 0 HA ASP A 119 1.859 37.460 42.318 1.00 11.85 H new ATOM 0 HB2 ASP A 119 3.412 38.763 43.509 1.00 15.40 H new ATOM 0 HB3 ASP A 119 3.742 39.565 42.213 1.00 15.40 H new ATOM 928 N VAL A 120 1.241 37.540 39.805 1.00 12.36 N ATOM 929 CA VAL A 120 0.725 37.861 38.472 1.00 12.46 C ATOM 930 C VAL A 120 -0.241 39.035 38.413 1.00 12.64 C ATOM 931 O VAL A 120 -0.525 39.554 37.336 1.00 10.42 O ATOM 932 CB VAL A 120 0.093 36.631 37.782 1.00 13.06 C ATOM 933 CG1 VAL A 120 1.162 35.585 37.506 1.00 14.47 C ATOM 934 CG2 VAL A 120 -1.030 36.058 38.628 1.00 11.73 C ATOM 0 H VAL A 120 0.975 36.785 40.119 1.00 12.36 H new ATOM 0 HA VAL A 120 1.517 38.140 37.986 1.00 12.46 H new ATOM 0 HB VAL A 120 -0.290 36.908 36.935 1.00 13.06 H new ATOM 0 HG11 VAL A 120 0.759 34.816 37.073 1.00 14.47 H new ATOM 0 HG12 VAL A 120 1.842 35.962 36.926 1.00 14.47 H new ATOM 0 HG13 VAL A 120 1.568 35.308 38.342 1.00 14.47 H new ATOM 0 HG21 VAL A 120 -1.413 35.288 38.179 1.00 11.73 H new ATOM 0 HG22 VAL A 120 -0.679 35.787 39.491 1.00 11.73 H new ATOM 0 HG23 VAL A 120 -1.716 36.732 38.755 1.00 11.73 H new ATOM 935 N GLN A 121 -0.741 39.446 39.576 1.00 15.72 N ATOM 936 CA GLN A 121 -1.663 40.580 39.682 1.00 18.84 C ATOM 937 C GLN A 121 -1.019 41.884 39.182 1.00 17.40 C ATOM 938 O GLN A 121 -1.707 42.778 38.677 1.00 18.14 O ATOM 939 CB GLN A 121 -2.161 40.715 41.137 1.00 23.32 C ATOM 940 CG GLN A 121 -2.222 42.139 41.721 1.00 30.16 C ATOM 941 CD GLN A 121 -1.045 42.460 42.643 1.00 33.43 C ATOM 942 OE1 GLN A 121 -1.005 42.018 43.797 1.00 35.54 O ATOM 943 NE2 GLN A 121 -0.086 43.236 42.139 1.00 34.88 N ATOM 0 H GLN A 121 -0.556 39.075 40.329 1.00 15.72 H new ATOM 0 HA GLN A 121 -2.426 40.410 39.108 1.00 18.84 H new ATOM 0 HB2 GLN A 121 -3.049 40.328 41.190 1.00 23.32 H new ATOM 0 HB3 GLN A 121 -1.585 40.180 41.705 1.00 23.32 H new ATOM 0 HG2 GLN A 121 -2.240 42.781 40.994 1.00 30.16 H new ATOM 0 HG3 GLN A 121 -3.051 42.245 42.214 1.00 30.16 H new ATOM 0 HE21 GLN A 121 -0.147 43.525 41.331 1.00 34.88 H new ATOM 0 HE22 GLN A 121 0.594 43.447 42.621 1.00 34.88 H new ATOM 944 N ALA A 122 0.305 41.964 39.287 1.00 15.84 N ATOM 945 CA ALA A 122 1.052 43.139 38.848 1.00 14.56 C ATOM 946 C ALA A 122 0.866 43.430 37.363 1.00 14.23 C ATOM 947 O ALA A 122 0.950 44.579 36.941 1.00 14.04 O ATOM 948 CB ALA A 122 2.532 42.962 39.158 1.00 15.40 C ATOM 0 H ALA A 122 0.795 41.338 39.615 1.00 15.84 H new ATOM 0 HA ALA A 122 0.700 43.899 39.337 1.00 14.56 H new ATOM 0 HB1 ALA A 122 3.021 43.746 38.863 1.00 15.40 H new ATOM 0 HB2 ALA A 122 2.651 42.847 40.114 1.00 15.40 H new ATOM 0 HB3 ALA A 122 2.869 42.179 38.695 1.00 15.40 H new ATOM 949 N TRP A 123 0.608 42.385 36.578 1.00 12.23 N ATOM 950 CA TRP A 123 0.413 42.521 35.139 1.00 11.49 C ATOM 951 C TRP A 123 -0.879 43.228 34.752 1.00 11.52 C ATOM 952 O TRP A 123 -1.051 43.613 33.600 1.00 12.47 O ATOM 953 CB TRP A 123 0.468 41.145 34.477 1.00 10.13 C ATOM 954 CG TRP A 123 1.816 40.577 34.555 1.00 10.23 C ATOM 955 CD1 TRP A 123 2.254 39.613 35.416 1.00 9.66 C ATOM 956 CD2 TRP A 123 2.961 41.025 33.830 1.00 10.35 C ATOM 957 NE1 TRP A 123 3.611 39.445 35.282 1.00 10.52 N ATOM 958 CE2 TRP A 123 4.071 40.299 34.315 1.00 11.51 C ATOM 959 CE3 TRP A 123 3.160 41.982 32.826 1.00 11.88 C ATOM 960 CZ2 TRP A 123 5.367 40.500 33.830 1.00 13.31 C ATOM 961 CZ3 TRP A 123 4.451 42.185 32.342 1.00 14.53 C ATOM 962 CH2 TRP A 123 5.539 41.446 32.847 1.00 14.11 C ATOM 0 H TRP A 123 0.541 41.578 36.867 1.00 12.23 H new ATOM 0 HA TRP A 123 1.135 43.085 34.821 1.00 11.49 H new ATOM 0 HB2 TRP A 123 -0.163 40.549 34.910 1.00 10.13 H new ATOM 0 HB3 TRP A 123 0.198 41.218 33.548 1.00 10.13 H new ATOM 0 HD1 TRP A 123 1.714 39.140 36.006 1.00 9.66 H new ATOM 0 HE1 TRP A 123 4.093 38.893 35.732 1.00 10.52 H new ATOM 0 HE3 TRP A 123 2.445 42.472 32.489 1.00 11.88 H new ATOM 0 HZ2 TRP A 123 6.086 40.012 34.160 1.00 13.31 H new ATOM 0 HZ3 TRP A 123 4.596 42.818 31.676 1.00 14.53 H new ATOM 0 HH2 TRP A 123 6.391 41.601 32.509 1.00 14.11 H new ATOM 963 N ILE A 124 -1.777 43.386 35.719 1.00 12.51 N ATOM 964 CA ILE A 124 -3.071 44.030 35.517 1.00 13.99 C ATOM 965 C ILE A 124 -3.159 45.404 36.210 1.00 14.20 C ATOM 966 O ILE A 124 -4.194 46.078 36.171 1.00 13.99 O ATOM 967 CB ILE A 124 -4.212 43.039 35.961 1.00 17.08 C ATOM 968 CG1 ILE A 124 -4.482 42.029 34.849 1.00 19.07 C ATOM 969 CG2 ILE A 124 -5.478 43.742 36.423 1.00 19.31 C ATOM 970 CD1 ILE A 124 -3.352 41.879 33.884 1.00 20.84 C ATOM 0 H ILE A 124 -1.649 43.117 36.526 1.00 12.51 H new ATOM 0 HA ILE A 124 -3.185 44.224 34.574 1.00 13.99 H new ATOM 0 HB ILE A 124 -3.896 42.562 36.744 1.00 17.08 H new ATOM 0 HG12 ILE A 124 -4.673 41.165 35.247 1.00 19.07 H new ATOM 0 HG13 ILE A 124 -5.277 42.300 34.364 1.00 19.07 H new ATOM 0 HG21 ILE A 124 -6.139 43.081 36.682 1.00 19.31 H new ATOM 0 HG22 ILE A 124 -5.274 44.310 37.183 1.00 19.31 H new ATOM 0 HG23 ILE A 124 -5.829 44.284 35.700 1.00 19.31 H new ATOM 0 HD11 ILE A 124 -3.589 41.226 33.207 1.00 20.84 H new ATOM 0 HD12 ILE A 124 -3.173 42.733 33.460 1.00 20.84 H new ATOM 0 HD13 ILE A 124 -2.559 41.581 34.357 1.00 20.84 H new ATOM 971 N ARG A 125 -2.048 45.858 36.776 1.00 14.39 N ATOM 972 CA ARG A 125 -2.056 47.145 37.461 1.00 16.18 C ATOM 973 C ARG A 125 -2.233 48.339 36.519 1.00 16.37 C ATOM 974 O ARG A 125 -1.677 48.368 35.412 1.00 15.23 O ATOM 975 CB ARG A 125 -0.800 47.321 38.303 1.00 16.50 C ATOM 976 CG ARG A 125 0.450 47.485 37.515 1.00 16.90 C ATOM 977 CD ARG A 125 1.448 48.267 38.307 1.00 19.20 C ATOM 978 NE ARG A 125 2.737 48.221 37.645 1.00 19.99 N ATOM 979 CZ ARG A 125 3.691 47.351 37.946 1.00 21.62 C ATOM 980 NH1 ARG A 125 3.494 46.460 38.910 1.00 22.88 N ATOM 981 NH2 ARG A 125 4.837 47.366 37.278 1.00 22.99 N ATOM 0 H ARG A 125 -1.293 45.447 36.776 1.00 14.39 H new ATOM 0 HA ARG A 125 -2.834 47.131 38.040 1.00 16.18 H new ATOM 0 HB2 ARG A 125 -0.913 48.097 38.875 1.00 16.50 H new ATOM 0 HB3 ARG A 125 -0.704 46.551 38.885 1.00 16.50 H new ATOM 0 HG2 ARG A 125 0.815 46.616 37.287 1.00 16.90 H new ATOM 0 HG3 ARG A 125 0.259 47.940 36.680 1.00 16.90 H new ATOM 0 HD2 ARG A 125 1.153 49.187 38.398 1.00 19.20 H new ATOM 0 HD3 ARG A 125 1.521 47.902 39.203 1.00 19.20 H new ATOM 0 HE ARG A 125 2.892 48.792 37.020 1.00 19.99 H new ATOM 0 HH11 ARG A 125 2.748 46.448 39.338 1.00 22.88 H new ATOM 0 HH12 ARG A 125 4.112 45.895 39.106 1.00 22.88 H new ATOM 0 HH21 ARG A 125 4.961 47.940 36.650 1.00 22.99 H new ATOM 0 HH22 ARG A 125 5.456 46.802 37.473 1.00 22.99 H new ATOM 982 N GLY A 126 -3.023 49.314 36.970 1.00 17.45 N ATOM 983 CA GLY A 126 -3.280 50.510 36.185 1.00 17.99 C ATOM 984 C GLY A 126 -4.312 50.310 35.091 1.00 19.94 C ATOM 985 O GLY A 126 -4.690 51.265 34.405 1.00 19.64 O ATOM 0 H GLY A 126 -3.419 49.297 37.733 1.00 17.45 H new ATOM 0 HA2 GLY A 126 -3.580 51.217 36.777 1.00 17.99 H new ATOM 0 HA3 GLY A 126 -2.449 50.809 35.784 1.00 17.99 H new ATOM 986 N CYS A 127 -4.778 49.071 34.936 1.00 20.33 N ATOM 987 CA CYS A 127 -5.768 48.738 33.915 1.00 22.18 C ATOM 988 C CYS A 127 -7.198 49.025 34.337 1.00 25.34 C ATOM 989 O CYS A 127 -7.601 48.731 35.465 1.00 25.83 O ATOM 990 CB CYS A 127 -5.655 47.266 33.502 1.00 19.26 C ATOM 991 SG CYS A 127 -4.027 46.788 32.860 1.00 14.31 S ATOM 0 H CYS A 127 -4.530 48.403 35.418 1.00 20.33 H new ATOM 0 HA CYS A 127 -5.566 49.316 33.163 1.00 22.18 H new ATOM 0 HB2 CYS A 127 -5.864 46.710 34.269 1.00 19.26 H new ATOM 0 HB3 CYS A 127 -6.325 47.079 32.825 1.00 19.26 H new ATOM 992 N ARG A 128 -7.951 49.612 33.414 1.00 28.77 N ATOM 993 CA ARG A 128 -9.354 49.935 33.624 1.00 32.55 C ATOM 994 C ARG A 128 -10.126 48.796 32.963 1.00 34.65 C ATOM 995 O ARG A 128 -10.512 48.884 31.795 1.00 35.62 O ATOM 996 CB ARG A 128 -9.687 51.267 32.950 1.00 33.99 C ATOM 997 CG ARG A 128 -8.851 52.433 33.444 1.00 35.35 C ATOM 998 CD ARG A 128 -9.210 53.705 32.706 1.00 36.56 C ATOM 999 NE ARG A 128 -8.630 53.781 31.364 1.00 37.83 N ATOM 1000 CZ ARG A 128 -7.400 54.220 31.096 1.00 38.30 C ATOM 1001 NH1 ARG A 128 -6.600 54.624 32.077 1.00 38.13 N ATOM 1002 NH2 ARG A 128 -6.967 54.255 29.844 1.00 37.79 N ATOM 0 H ARG A 128 -7.656 49.836 32.638 1.00 28.77 H new ATOM 0 HA ARG A 128 -9.576 50.025 34.564 1.00 32.55 H new ATOM 0 HB2 ARG A 128 -9.563 51.175 31.992 1.00 33.99 H new ATOM 0 HB3 ARG A 128 -10.625 51.468 33.097 1.00 33.99 H new ATOM 0 HG2 ARG A 128 -8.991 52.556 34.396 1.00 35.35 H new ATOM 0 HG3 ARG A 128 -7.909 52.237 33.319 1.00 35.35 H new ATOM 0 HD2 ARG A 128 -10.175 53.770 32.638 1.00 36.56 H new ATOM 0 HD3 ARG A 128 -8.910 54.468 33.225 1.00 36.56 H new ATOM 0 HE ARG A 128 -9.116 53.525 30.703 1.00 37.83 H new ATOM 0 HH11 ARG A 128 -6.875 54.603 32.892 1.00 38.13 H new ATOM 0 HH12 ARG A 128 -5.808 54.906 31.897 1.00 38.13 H new ATOM 0 HH21 ARG A 128 -7.479 53.995 29.204 1.00 37.79 H new ATOM 0 HH22 ARG A 128 -6.174 54.538 29.671 1.00 37.79 H new ATOM 1003 N LEU A 129 -10.316 47.713 33.711 1.00 35.95 N ATOM 1004 CA LEU A 129 -10.995 46.528 33.195 1.00 36.99 C ATOM 1005 C LEU A 129 -12.481 46.430 33.535 1.00 37.63 C ATOM 1006 O LEU A 129 -13.240 45.957 32.659 1.00 38.11 O ATOM 1007 CB LEU A 129 -10.249 45.275 33.667 1.00 36.49 C ATOM 1008 CG LEU A 129 -8.769 45.238 33.258 1.00 36.19 C ATOM 1009 CD1 LEU A 129 -8.009 44.204 34.070 1.00 36.70 C ATOM 1010 CD2 LEU A 129 -8.641 44.974 31.767 1.00 35.34 C ATOM 1011 OXT LEU A 129 -12.870 46.823 34.659 1.00 38.44 O ATOM 0 H LEU A 129 -10.056 47.644 34.528 1.00 35.95 H new ATOM 0 HA LEU A 129 -10.972 46.605 32.228 1.00 36.99 H new ATOM 0 HB2 LEU A 129 -10.309 45.219 34.633 1.00 36.49 H new ATOM 0 HB3 LEU A 129 -10.694 44.491 33.309 1.00 36.49 H new ATOM 0 HG LEU A 129 -8.374 46.104 33.446 1.00 36.19 H new ATOM 0 HD11 LEU A 129 -7.078 44.197 33.796 1.00 36.70 H new ATOM 0 HD12 LEU A 129 -8.067 44.426 35.012 1.00 36.70 H new ATOM 0 HD13 LEU A 129 -8.396 43.327 33.921 1.00 36.70 H new ATOM 0 HD21 LEU A 129 -7.703 44.953 31.521 1.00 35.34 H new ATOM 0 HD22 LEU A 129 -9.050 44.121 31.553 1.00 35.34 H new ATOM 0 HD23 LEU A 129 -9.088 45.679 31.274 1.00 35.34 H new TER 1012 LEU A 129 ATOM 1013 N LYS B 1 18.384 40.905 43.677 1.00 16.12 N ATOM 1014 CA LYS B 1 18.124 42.149 44.450 1.00 14.98 C ATOM 1015 C LYS B 1 18.549 41.970 45.901 1.00 14.50 C ATOM 1016 O LYS B 1 18.376 40.894 46.474 1.00 13.52 O ATOM 1017 CB LYS B 1 16.629 42.498 44.406 1.00 15.50 C ATOM 1018 CG LYS B 1 16.250 43.670 45.291 1.00 16.72 C ATOM 1019 CD LYS B 1 14.760 43.887 45.353 1.00 18.35 C ATOM 1020 CE LYS B 1 14.440 45.085 46.229 1.00 17.75 C ATOM 1021 NZ LYS B 1 12.975 45.332 46.303 1.00 20.24 N ATOM 0 H1 LYS B 1 18.105 41.012 42.839 1.00 16.12 H new ATOM 0 H2 LYS B 1 19.257 40.731 43.679 1.00 16.12 H new ATOM 0 H3 LYS B 1 17.946 40.226 44.050 1.00 16.12 H new ATOM 0 HA LYS B 1 18.638 42.868 44.050 1.00 14.98 H new ATOM 0 HB2 LYS B 1 16.379 42.700 43.491 1.00 15.50 H new ATOM 0 HB3 LYS B 1 16.115 41.720 44.675 1.00 15.50 H new ATOM 0 HG2 LYS B 1 16.589 43.518 46.187 1.00 16.72 H new ATOM 0 HG3 LYS B 1 16.678 44.475 44.958 1.00 16.72 H new ATOM 0 HD2 LYS B 1 14.410 44.029 44.460 1.00 18.35 H new ATOM 0 HD3 LYS B 1 14.326 43.095 45.706 1.00 18.35 H new ATOM 0 HE2 LYS B 1 14.790 44.937 47.122 1.00 17.75 H new ATOM 0 HE3 LYS B 1 14.884 45.872 45.877 1.00 17.75 H new ATOM 0 HZ1 LYS B 1 12.790 45.802 47.036 1.00 20.24 H new ATOM 0 HZ2 LYS B 1 12.714 45.788 45.585 1.00 20.24 H new ATOM 0 HZ3 LYS B 1 12.544 44.554 46.333 1.00 20.24 H new ATOM 1022 N VAL B 2 19.199 42.995 46.447 1.00 12.90 N ATOM 1023 CA VAL B 2 19.510 43.000 47.882 1.00 12.96 C ATOM 1024 C VAL B 2 18.547 43.931 48.604 1.00 12.05 C ATOM 1025 O VAL B 2 18.520 45.141 48.354 1.00 12.44 O ATOM 1026 CB VAL B 2 20.942 43.479 48.107 1.00 14.20 C ATOM 1027 CG1 VAL B 2 21.368 43.391 49.575 1.00 13.05 C ATOM 1028 CG2 VAL B 2 21.973 42.666 47.317 1.00 14.13 C ATOM 0 H VAL B 2 19.467 43.689 46.015 1.00 12.90 H new ATOM 0 HA VAL B 2 19.419 42.099 48.229 1.00 12.96 H new ATOM 0 HB VAL B 2 20.929 44.401 47.805 1.00 14.20 H new ATOM 0 HG11 VAL B 2 22.281 43.705 49.667 1.00 13.05 H new ATOM 0 HG12 VAL B 2 20.781 43.942 50.116 1.00 13.05 H new ATOM 0 HG13 VAL B 2 21.312 42.470 49.874 1.00 13.05 H new ATOM 0 HG21 VAL B 2 22.862 43.010 47.495 1.00 14.13 H new ATOM 0 HG22 VAL B 2 21.927 41.735 47.587 1.00 14.13 H new ATOM 0 HG23 VAL B 2 21.783 42.737 46.368 1.00 14.13 H new ATOM 1029 N PHE B 3 17.786 43.330 49.480 1.00 10.64 N ATOM 1030 CA PHE B 3 16.774 44.031 50.268 1.00 10.89 C ATOM 1031 C PHE B 3 17.365 44.731 51.473 1.00 10.99 C ATOM 1032 O PHE B 3 18.422 44.343 51.992 1.00 10.06 O ATOM 1033 CB PHE B 3 15.744 43.044 50.823 1.00 11.27 C ATOM 1034 CG PHE B 3 14.588 42.741 49.877 1.00 10.54 C ATOM 1035 CD1 PHE B 3 14.742 41.777 48.878 1.00 11.41 C ATOM 1036 CD2 PHE B 3 13.374 43.425 50.014 1.00 11.57 C ATOM 1037 CE1 PHE B 3 13.681 41.492 48.013 1.00 12.06 C ATOM 1038 CE2 PHE B 3 12.312 43.139 49.149 1.00 13.04 C ATOM 1039 CZ PHE B 3 12.465 42.172 48.149 1.00 12.33 C ATOM 0 H PHE B 3 17.833 42.488 49.647 1.00 10.64 H new ATOM 0 HA PHE B 3 16.374 44.676 49.664 1.00 10.89 H new ATOM 0 HB2 PHE B 3 16.194 42.213 51.042 1.00 11.27 H new ATOM 0 HB3 PHE B 3 15.385 43.400 51.651 1.00 11.27 H new ATOM 0 HD1 PHE B 3 15.550 41.325 48.788 1.00 11.41 H new ATOM 0 HD2 PHE B 3 13.274 44.068 50.678 1.00 11.57 H new ATOM 0 HE1 PHE B 3 13.783 40.851 47.347 1.00 12.06 H new ATOM 0 HE2 PHE B 3 11.504 43.592 49.239 1.00 13.04 H new ATOM 0 HZ PHE B 3 11.759 41.981 47.575 1.00 12.33 H new ATOM 1040 N GLY B 4 16.648 45.741 51.873 1.00 11.46 N ATOM 1041 CA GLY B 4 16.976 46.505 53.045 1.00 10.96 C ATOM 1042 C GLY B 4 16.243 45.833 54.195 1.00 10.59 C ATOM 1043 O GLY B 4 15.238 45.128 53.961 1.00 9.46 O ATOM 0 H GLY B 4 15.941 46.012 51.466 1.00 11.46 H new ATOM 0 HA2 GLY B 4 17.934 46.512 53.199 1.00 10.96 H new ATOM 0 HA3 GLY B 4 16.698 47.429 52.947 1.00 10.96 H new ATOM 1044 N ARG B 5 16.767 45.807 55.358 1.00 9.52 N ATOM 1045 CA ARG B 5 16.162 45.090 56.499 1.00 10.05 C ATOM 1046 C ARG B 5 14.657 45.397 56.600 1.00 10.25 C ATOM 1047 O ARG B 5 13.813 44.480 56.621 1.00 9.92 O ATOM 1048 CB ARG B 5 16.845 45.518 57.785 1.00 10.93 C ATOM 1049 CG ARG B 5 16.333 44.780 59.013 1.00 11.21 C ATOM 1050 CD ARG B 5 17.252 44.952 60.217 1.00 12.18 C ATOM 1051 NE ARG B 5 17.522 46.360 60.532 1.00 11.49 N ATOM 1052 CZ ARG B 5 16.726 47.116 61.294 1.00 11.68 C ATOM 1053 NH1 ARG B 5 15.603 46.611 61.823 1.00 10.70 N ATOM 1054 NH2 ARG B 5 16.971 48.400 61.589 1.00 13.42 N ATOM 0 H ARG B 5 17.505 46.205 55.551 1.00 9.52 H new ATOM 0 HA ARG B 5 16.278 44.137 56.361 1.00 10.05 H new ATOM 0 HB2 ARG B 5 17.800 45.370 57.701 1.00 10.93 H new ATOM 0 HB3 ARG B 5 16.716 46.471 57.911 1.00 10.93 H new ATOM 0 HG2 ARG B 5 15.447 45.104 59.236 1.00 11.21 H new ATOM 0 HG3 ARG B 5 16.246 43.836 58.807 1.00 11.21 H new ATOM 0 HD2 ARG B 5 16.850 44.524 60.989 1.00 12.18 H new ATOM 0 HD3 ARG B 5 18.091 44.497 60.045 1.00 12.18 H new ATOM 0 HE ARG B 5 18.233 46.719 60.208 1.00 11.49 H new ATOM 0 HH11 ARG B 5 15.388 45.792 61.673 1.00 10.70 H new ATOM 0 HH12 ARG B 5 15.098 47.106 62.312 1.00 10.70 H new ATOM 0 HH21 ARG B 5 17.676 48.785 61.282 1.00 13.42 H new ATOM 0 HH22 ARG B 5 16.423 48.839 62.085 1.00 13.42 H new ATOM 1055 N CYS B 6 14.243 46.648 56.801 1.00 8.45 N ATOM 1056 CA CYS B 6 12.835 47.016 56.969 1.00 9.39 C ATOM 1057 C CYS B 6 12.021 46.886 55.689 1.00 7.64 C ATOM 1058 O CYS B 6 10.800 46.708 55.739 1.00 8.16 O ATOM 1059 CB CYS B 6 12.705 48.427 57.544 1.00 8.59 C ATOM 1060 SG CYS B 6 13.365 48.539 59.238 1.00 11.12 S ATOM 0 H CYS B 6 14.781 47.318 56.844 1.00 8.45 H new ATOM 0 HA CYS B 6 12.464 46.379 57.599 1.00 9.39 H new ATOM 0 HB2 CYS B 6 13.177 49.053 56.972 1.00 8.59 H new ATOM 0 HB3 CYS B 6 11.771 48.691 57.544 1.00 8.59 H new ATOM 1061 N GLU B 7 12.707 46.983 54.555 1.00 8.36 N ATOM 1062 CA GLU B 7 12.078 46.841 53.247 1.00 8.27 C ATOM 1063 C GLU B 7 11.593 45.395 53.136 1.00 7.53 C ATOM 1064 O GLU B 7 10.455 45.144 52.753 1.00 7.86 O ATOM 1065 CB GLU B 7 13.086 47.141 52.137 1.00 9.51 C ATOM 1066 CG GLU B 7 12.508 47.007 50.739 1.00 12.98 C ATOM 1067 CD GLU B 7 13.553 47.048 49.633 1.00 14.42 C ATOM 1068 OE1 GLU B 7 14.769 46.936 49.910 1.00 15.53 O ATOM 1069 OE2 GLU B 7 13.138 47.187 48.465 1.00 16.81 O ATOM 0 H GLU B 7 13.553 47.134 54.523 1.00 8.36 H new ATOM 0 HA GLU B 7 11.340 47.463 53.153 1.00 8.27 H new ATOM 0 HB2 GLU B 7 13.425 48.042 52.254 1.00 9.51 H new ATOM 0 HB3 GLU B 7 13.842 46.539 52.225 1.00 9.51 H new ATOM 0 HG2 GLU B 7 12.019 46.171 50.679 1.00 12.98 H new ATOM 0 HG3 GLU B 7 11.868 47.721 50.593 1.00 12.98 H new ATOM 1070 N LEU B 8 12.455 44.454 53.516 1.00 7.53 N ATOM 1071 CA LEU B 8 12.105 43.034 53.477 1.00 7.28 C ATOM 1072 C LEU B 8 11.016 42.726 54.498 1.00 7.39 C ATOM 1073 O LEU B 8 10.078 41.980 54.207 1.00 7.66 O ATOM 1074 CB LEU B 8 13.331 42.158 53.734 1.00 6.60 C ATOM 1075 CG LEU B 8 13.073 40.642 53.679 1.00 8.41 C ATOM 1076 CD1 LEU B 8 12.515 40.230 52.322 1.00 7.31 C ATOM 1077 CD2 LEU B 8 14.345 39.881 53.983 1.00 8.44 C ATOM 0 H LEU B 8 13.250 44.617 53.801 1.00 7.53 H new ATOM 0 HA LEU B 8 11.769 42.833 52.589 1.00 7.28 H new ATOM 0 HB2 LEU B 8 14.013 42.380 53.080 1.00 6.60 H new ATOM 0 HB3 LEU B 8 13.692 42.379 54.607 1.00 6.60 H new ATOM 0 HG LEU B 8 12.411 40.423 54.353 1.00 8.41 H new ATOM 0 HD11 LEU B 8 12.361 39.272 52.312 1.00 7.31 H new ATOM 0 HD12 LEU B 8 11.678 40.693 52.162 1.00 7.31 H new ATOM 0 HD13 LEU B 8 13.150 40.462 51.627 1.00 7.31 H new ATOM 0 HD21 LEU B 8 14.169 38.928 53.945 1.00 8.44 H new ATOM 0 HD22 LEU B 8 15.024 40.110 53.329 1.00 8.44 H new ATOM 0 HD23 LEU B 8 14.659 40.116 54.870 1.00 8.44 H new ATOM 1078 N ALA B 9 11.134 43.322 55.685 1.00 6.81 N ATOM 1079 CA ALA B 9 10.151 43.142 56.750 1.00 7.54 C ATOM 1080 C ALA B 9 8.754 43.546 56.283 1.00 8.28 C ATOM 1081 O ALA B 9 7.773 42.850 56.561 1.00 9.41 O ATOM 1082 CB ALA B 9 10.542 43.953 57.969 1.00 7.53 C ATOM 0 H ALA B 9 11.787 43.842 55.894 1.00 6.81 H new ATOM 0 HA ALA B 9 10.134 42.201 56.985 1.00 7.54 H new ATOM 0 HB1 ALA B 9 9.882 43.825 58.668 1.00 7.53 H new ATOM 0 HB2 ALA B 9 11.410 43.661 58.287 1.00 7.53 H new ATOM 0 HB3 ALA B 9 10.584 44.893 57.733 1.00 7.53 H new ATOM 1083 N ALA B 10 8.677 44.661 55.554 1.00 8.91 N ATOM 1084 CA ALA B 10 7.409 45.169 55.042 1.00 8.83 C ATOM 1085 C ALA B 10 6.813 44.255 53.977 1.00 8.12 C ATOM 1086 O ALA B 10 5.605 44.036 53.957 1.00 10.03 O ATOM 1087 CB ALA B 10 7.583 46.572 54.491 1.00 8.63 C ATOM 0 H ALA B 10 9.359 45.141 55.344 1.00 8.91 H new ATOM 0 HA ALA B 10 6.788 45.193 55.787 1.00 8.83 H new ATOM 0 HB1 ALA B 10 6.733 46.896 54.155 1.00 8.63 H new ATOM 0 HB2 ALA B 10 7.897 47.160 55.196 1.00 8.63 H new ATOM 0 HB3 ALA B 10 8.231 46.558 53.770 1.00 8.63 H new ATOM 1088 N ALA B 11 7.662 43.744 53.088 1.00 8.46 N ATOM 1089 CA ALA B 11 7.231 42.842 52.018 1.00 8.29 C ATOM 1090 C ALA B 11 6.728 41.514 52.600 1.00 8.05 C ATOM 1091 O ALA B 11 5.708 40.986 52.163 1.00 8.81 O ATOM 1092 CB ALA B 11 8.376 42.597 51.047 1.00 7.28 C ATOM 0 H ALA B 11 8.506 43.910 53.087 1.00 8.46 H new ATOM 0 HA ALA B 11 6.499 43.260 51.538 1.00 8.29 H new ATOM 0 HB1 ALA B 11 8.081 41.999 50.343 1.00 7.28 H new ATOM 0 HB2 ALA B 11 8.657 43.440 50.658 1.00 7.28 H new ATOM 0 HB3 ALA B 11 9.122 42.195 51.520 1.00 7.28 H new ATOM 1093 N MET B 12 7.443 40.988 53.595 1.00 8.81 N ATOM 1094 CA MET B 12 7.048 39.734 54.240 1.00 8.88 C ATOM 1095 C MET B 12 5.743 39.910 55.004 1.00 10.44 C ATOM 1096 O MET B 12 4.893 39.012 55.024 1.00 10.51 O ATOM 1097 CB MET B 12 8.137 39.236 55.188 1.00 8.10 C ATOM 1098 CG MET B 12 9.388 38.777 54.486 1.00 8.46 C ATOM 1099 SD MET B 12 10.644 38.221 55.639 1.00 10.76 S ATOM 1100 CE MET B 12 11.366 36.879 54.686 1.00 11.61 C ATOM 0 H MET B 12 8.160 41.341 53.912 1.00 8.81 H new ATOM 0 HA MET B 12 6.919 39.073 53.542 1.00 8.88 H new ATOM 0 HB2 MET B 12 8.366 39.947 55.807 1.00 8.10 H new ATOM 0 HB3 MET B 12 7.784 38.503 55.716 1.00 8.10 H new ATOM 0 HG2 MET B 12 9.169 38.055 53.876 1.00 8.46 H new ATOM 0 HG3 MET B 12 9.742 39.504 53.950 1.00 8.46 H new ATOM 0 HE1 MET B 12 12.082 36.469 55.196 1.00 11.61 H new ATOM 0 HE2 MET B 12 10.685 36.215 54.494 1.00 11.61 H new ATOM 0 HE3 MET B 12 11.721 37.228 53.853 1.00 11.61 H new ATOM 1101 N LYS B 13 5.583 41.078 55.624 1.00 10.51 N ATOM 1102 CA LYS B 13 4.369 41.373 56.371 1.00 12.69 C ATOM 1103 C LYS B 13 3.201 41.440 55.390 1.00 12.08 C ATOM 1104 O LYS B 13 2.115 40.941 55.675 1.00 12.17 O ATOM 1105 CB LYS B 13 4.508 42.697 57.126 1.00 13.72 C ATOM 1106 CG LYS B 13 3.407 42.928 58.133 1.00 16.93 C ATOM 1107 CD LYS B 13 3.641 44.184 58.936 1.00 18.24 C ATOM 1108 CE LYS B 13 2.651 44.273 60.086 1.00 21.71 C ATOM 1109 NZ LYS B 13 1.231 44.123 59.651 1.00 23.37 N ATOM 0 H LYS B 13 6.166 41.710 55.623 1.00 10.51 H new ATOM 0 HA LYS B 13 4.211 40.675 57.026 1.00 12.69 H new ATOM 0 HB2 LYS B 13 5.364 42.714 57.582 1.00 13.72 H new ATOM 0 HB3 LYS B 13 4.512 43.427 56.488 1.00 13.72 H new ATOM 0 HG2 LYS B 13 2.555 42.991 57.673 1.00 16.93 H new ATOM 0 HG3 LYS B 13 3.350 42.167 58.731 1.00 16.93 H new ATOM 0 HD2 LYS B 13 4.547 44.189 59.281 1.00 18.24 H new ATOM 0 HD3 LYS B 13 3.551 44.962 58.364 1.00 18.24 H new ATOM 0 HE2 LYS B 13 2.858 43.585 60.738 1.00 21.71 H new ATOM 0 HE3 LYS B 13 2.758 45.128 60.532 1.00 21.71 H new ATOM 0 HZ1 LYS B 13 0.729 44.734 60.059 1.00 23.37 H new ATOM 0 HZ2 LYS B 13 1.177 44.236 58.770 1.00 23.37 H new ATOM 0 HZ3 LYS B 13 0.939 43.310 59.864 1.00 23.37 H new ATOM 1110 N ARG B 14 3.450 42.025 54.221 1.00 12.69 N ATOM 1111 CA ARG B 14 2.436 42.161 53.181 1.00 14.25 C ATOM 1112 C ARG B 14 2.005 40.782 52.675 1.00 13.03 C ATOM 1113 O ARG B 14 0.848 40.582 52.307 1.00 13.45 O ATOM 1114 CB ARG B 14 2.980 43.011 52.027 1.00 17.46 C ATOM 1115 CG ARG B 14 1.915 43.481 51.041 1.00 22.86 C ATOM 1116 CD ARG B 14 2.506 44.360 49.945 1.00 27.06 C ATOM 1117 NE ARG B 14 2.957 43.590 48.782 1.00 30.62 N ATOM 1118 CZ ARG B 14 4.231 43.386 48.461 1.00 32.38 C ATOM 1119 NH1 ARG B 14 5.204 43.883 49.213 1.00 35.16 N ATOM 1120 NH2 ARG B 14 4.535 42.710 47.365 1.00 33.67 N ATOM 0 H ARG B 14 4.215 42.355 54.009 1.00 12.69 H new ATOM 0 HA ARG B 14 1.659 42.605 53.555 1.00 14.25 H new ATOM 0 HB2 ARG B 14 3.431 43.787 52.395 1.00 17.46 H new ATOM 0 HB3 ARG B 14 3.647 42.497 51.546 1.00 17.46 H new ATOM 0 HG2 ARG B 14 1.483 42.711 50.640 1.00 22.86 H new ATOM 0 HG3 ARG B 14 1.229 43.975 51.517 1.00 22.86 H new ATOM 0 HD2 ARG B 14 1.841 45.007 49.661 1.00 27.06 H new ATOM 0 HD3 ARG B 14 3.254 44.861 50.306 1.00 27.06 H new ATOM 0 HE ARG B 14 2.356 43.246 48.272 1.00 30.62 H new ATOM 0 HH11 ARG B 14 5.013 44.342 49.915 1.00 35.16 H new ATOM 0 HH12 ARG B 14 6.026 43.747 48.999 1.00 35.16 H new ATOM 0 HH21 ARG B 14 3.909 42.403 46.861 1.00 33.67 H new ATOM 0 HH22 ARG B 14 5.359 42.577 47.156 1.00 33.67 H new ATOM 1121 N HIS B 15 2.943 39.817 52.730 1.00 12.80 N ATOM 1122 CA HIS B 15 2.651 38.470 52.225 1.00 13.42 C ATOM 1123 C HIS B 15 2.160 37.512 53.341 1.00 13.44 C ATOM 1124 O HIS B 15 2.094 36.299 53.145 1.00 13.67 O ATOM 1125 CB HIS B 15 3.887 37.877 51.562 1.00 14.31 C ATOM 1126 CG HIS B 15 4.080 38.414 50.154 1.00 14.22 C ATOM 1127 ND1 HIS B 15 4.872 39.523 49.894 1.00 15.37 N ATOM 1128 CD2 HIS B 15 3.592 38.005 48.957 1.00 14.67 C ATOM 1129 CE1 HIS B 15 4.847 39.757 48.593 1.00 15.22 C ATOM 1130 NE2 HIS B 15 4.086 38.858 48.017 1.00 15.24 N ATOM 0 H HIS B 15 3.735 39.923 53.049 1.00 12.80 H new ATOM 0 HA HIS B 15 1.935 38.562 51.577 1.00 13.42 H new ATOM 0 HB2 HIS B 15 4.670 38.080 52.097 1.00 14.31 H new ATOM 0 HB3 HIS B 15 3.807 36.911 51.532 1.00 14.31 H new ATOM 0 HD1 HIS B 15 5.305 39.980 50.479 1.00 15.37 H new ATOM 0 HD2 HIS B 15 3.028 37.281 48.807 1.00 14.67 H new ATOM 0 HE1 HIS B 15 5.295 40.446 48.158 1.00 15.22 H new ATOM 1131 N GLY B 16 1.835 38.081 54.490 1.00 13.53 N ATOM 1132 CA GLY B 16 1.254 37.332 55.632 1.00 13.89 C ATOM 1133 C GLY B 16 2.188 36.426 56.458 1.00 14.15 C ATOM 1134 O GLY B 16 1.725 35.438 57.046 1.00 13.60 O ATOM 0 H GLY B 16 1.941 38.920 54.646 1.00 13.53 H new ATOM 0 HA2 GLY B 16 0.855 37.977 56.237 1.00 13.89 H new ATOM 0 HA3 GLY B 16 0.533 36.781 55.289 1.00 13.89 H new ATOM 1135 N LEU B 17 3.469 36.748 56.536 1.00 13.68 N ATOM 1136 CA LEU B 17 4.414 35.909 57.316 1.00 13.58 C ATOM 1137 C LEU B 17 4.436 36.279 58.806 1.00 13.65 C ATOM 1138 O LEU B 17 4.821 35.449 59.646 1.00 15.02 O ATOM 1139 CB LEU B 17 5.834 36.050 56.798 1.00 12.49 C ATOM 1140 CG LEU B 17 6.179 35.153 55.616 1.00 12.67 C ATOM 1141 CD1 LEU B 17 7.674 35.225 55.317 1.00 10.58 C ATOM 1142 CD2 LEU B 17 5.813 33.682 55.865 1.00 11.82 C ATOM 0 H LEU B 17 3.822 37.434 56.157 1.00 13.68 H new ATOM 0 HA LEU B 17 4.097 34.998 57.211 1.00 13.58 H new ATOM 0 HB2 LEU B 17 5.980 36.973 56.539 1.00 12.49 H new ATOM 0 HB3 LEU B 17 6.449 35.858 57.523 1.00 12.49 H new ATOM 0 HG LEU B 17 5.658 35.478 54.865 1.00 12.67 H new ATOM 0 HD11 LEU B 17 7.882 34.651 54.563 1.00 10.58 H new ATOM 0 HD12 LEU B 17 7.918 36.139 55.103 1.00 10.58 H new ATOM 0 HD13 LEU B 17 8.174 34.931 56.094 1.00 10.58 H new ATOM 0 HD21 LEU B 17 6.051 33.153 55.087 1.00 11.82 H new ATOM 0 HD22 LEU B 17 6.297 33.354 56.639 1.00 11.82 H new ATOM 0 HD23 LEU B 17 4.859 33.608 56.026 1.00 11.82 H new ATOM 1143 N ASP B 18 4.115 37.519 59.175 1.00 15.19 N ATOM 1144 CA ASP B 18 4.134 37.922 60.578 1.00 15.64 C ATOM 1145 C ASP B 18 3.158 37.057 61.368 1.00 15.18 C ATOM 1146 O ASP B 18 1.946 37.084 61.136 1.00 15.06 O ATOM 1147 CB ASP B 18 3.795 39.412 60.739 1.00 18.08 C ATOM 1148 CG ASP B 18 4.063 39.938 62.155 1.00 20.05 C ATOM 1149 OD1 ASP B 18 4.686 39.227 62.983 1.00 19.70 O ATOM 1150 OD2 ASP B 18 3.656 41.086 62.437 1.00 22.26 O ATOM 0 H ASP B 18 3.884 38.141 58.628 1.00 15.19 H new ATOM 0 HA ASP B 18 5.030 37.792 60.925 1.00 15.64 H new ATOM 0 HB2 ASP B 18 4.316 39.928 60.104 1.00 18.08 H new ATOM 0 HB3 ASP B 18 2.861 39.552 60.519 1.00 18.08 H new ATOM 1151 N ASN B 19 3.720 36.253 62.263 1.00 14.07 N ATOM 1152 CA ASN B 19 2.965 35.345 63.116 1.00 15.08 C ATOM 1153 C ASN B 19 2.419 34.128 62.393 1.00 15.20 C ATOM 1154 O ASN B 19 1.506 33.470 62.891 1.00 16.10 O ATOM 1155 CB ASN B 19 1.830 36.073 63.842 1.00 17.38 C ATOM 1156 CG ASN B 19 2.337 37.066 64.859 1.00 20.51 C ATOM 1157 OD1 ASN B 19 3.461 36.740 65.489 1.00 20.56 O flip ATOM 1158 ND2 ASN B 19 1.726 38.117 65.078 1.00 21.70 N flip ATOM 0 H ASN B 19 4.569 36.220 62.394 1.00 14.07 H new ATOM 0 HA ASN B 19 3.608 35.018 63.765 1.00 15.08 H new ATOM 0 HB2 ASN B 19 1.278 36.534 63.192 1.00 17.38 H new ATOM 0 HB3 ASN B 19 1.263 35.422 64.285 1.00 17.38 H new ATOM 0 HD21 ASN B 19 1.001 38.291 64.648 1.00 21.70 H new ATOM 0 HD22 ASN B 19 2.025 38.675 65.660 1.00 21.70 H new ATOM 1159 N TYR B 20 2.948 33.838 61.207 1.00 14.54 N ATOM 1160 CA TYR B 20 2.489 32.668 60.474 1.00 14.25 C ATOM 1161 C TYR B 20 2.998 31.456 61.243 1.00 13.57 C ATOM 1162 O TYR B 20 4.201 31.346 61.504 1.00 13.91 O ATOM 1163 CB TYR B 20 3.030 32.660 59.044 1.00 13.50 C ATOM 1164 CG TYR B 20 2.423 31.556 58.220 1.00 12.57 C ATOM 1165 CD1 TYR B 20 1.112 31.653 57.753 1.00 13.53 C ATOM 1166 CD2 TYR B 20 3.131 30.388 57.961 1.00 12.93 C ATOM 1167 CE1 TYR B 20 0.516 30.607 57.049 1.00 15.17 C ATOM 1168 CE2 TYR B 20 2.550 29.338 57.263 1.00 13.93 C ATOM 1169 CZ TYR B 20 1.242 29.452 56.812 1.00 15.54 C ATOM 1170 OH TYR B 20 0.656 28.399 56.140 1.00 17.18 O ATOM 0 H TYR B 20 3.562 34.297 60.817 1.00 14.54 H new ATOM 0 HA TYR B 20 1.522 32.665 60.403 1.00 14.25 H new ATOM 0 HB2 TYR B 20 2.846 33.515 58.624 1.00 13.50 H new ATOM 0 HB3 TYR B 20 3.994 32.555 59.064 1.00 13.50 H new ATOM 0 HD1 TYR B 20 0.626 32.430 57.914 1.00 13.53 H new ATOM 0 HD2 TYR B 20 4.008 30.309 58.260 1.00 12.93 H new ATOM 0 HE1 TYR B 20 -0.359 30.684 56.742 1.00 15.17 H new ATOM 0 HE2 TYR B 20 3.035 28.562 57.098 1.00 13.93 H new ATOM 0 HH TYR B 20 1.208 27.770 56.067 1.00 17.18 H new ATOM 1171 N ARG B 21 2.071 30.584 61.649 1.00 16.49 N ATOM 1172 CA ARG B 21 2.395 29.378 62.426 1.00 18.21 C ATOM 1173 C ARG B 21 3.081 29.744 63.747 1.00 17.57 C ATOM 1174 O ARG B 21 3.919 28.990 64.258 1.00 17.30 O ATOM 1175 CB ARG B 21 3.271 28.397 61.621 1.00 21.42 C ATOM 1176 CG ARG B 21 2.525 27.669 60.503 1.00 26.01 C ATOM 1177 CD ARG B 21 1.351 26.850 61.020 1.00 30.78 C ATOM 1178 NE ARG B 21 0.427 26.475 59.948 1.00 35.43 N ATOM 1179 CZ ARG B 21 -0.729 27.095 59.707 1.00 37.39 C ATOM 1180 NH1 ARG B 21 -1.142 28.082 60.497 1.00 39.29 N ATOM 1181 NH2 ARG B 21 -1.495 26.702 58.699 1.00 38.94 N ATOM 0 H ARG B 21 1.232 30.674 61.482 1.00 16.49 H new ATOM 0 HA ARG B 21 1.557 28.933 62.625 1.00 18.21 H new ATOM 0 HB2 ARG B 21 4.016 28.885 61.236 1.00 21.42 H new ATOM 0 HB3 ARG B 21 3.646 27.740 62.228 1.00 21.42 H new ATOM 0 HG2 ARG B 21 2.203 28.318 59.858 1.00 26.01 H new ATOM 0 HG3 ARG B 21 3.141 27.085 60.035 1.00 26.01 H new ATOM 0 HD2 ARG B 21 1.683 26.049 61.454 1.00 30.78 H new ATOM 0 HD3 ARG B 21 0.874 27.360 61.693 1.00 30.78 H new ATOM 0 HE ARG B 21 0.643 25.814 59.442 1.00 35.43 H new ATOM 0 HH11 ARG B 21 -0.663 28.324 61.169 1.00 39.29 H new ATOM 0 HH12 ARG B 21 -1.888 28.478 60.336 1.00 39.29 H new ATOM 0 HH21 ARG B 21 -1.247 26.047 58.200 1.00 38.94 H new ATOM 0 HH22 ARG B 21 -2.240 27.102 58.544 1.00 38.94 H new ATOM 1182 N GLY B 22 2.742 30.921 64.273 1.00 16.17 N ATOM 1183 CA GLY B 22 3.326 31.378 65.521 1.00 15.69 C ATOM 1184 C GLY B 22 4.716 31.989 65.420 1.00 15.20 C ATOM 1185 O GLY B 22 5.334 32.290 66.441 1.00 16.92 O ATOM 0 H GLY B 22 2.177 31.465 63.920 1.00 16.17 H new ATOM 0 HA2 GLY B 22 2.731 32.035 65.915 1.00 15.69 H new ATOM 0 HA3 GLY B 22 3.365 30.627 66.134 1.00 15.69 H new ATOM 1186 N TYR B 23 5.222 32.168 64.209 1.00 14.18 N ATOM 1187 CA TYR B 23 6.541 32.756 64.040 1.00 13.15 C ATOM 1188 C TYR B 23 6.479 34.235 63.694 1.00 12.41 C ATOM 1189 O TYR B 23 6.069 34.602 62.594 1.00 10.61 O ATOM 1190 CB TYR B 23 7.328 32.001 62.975 1.00 14.41 C ATOM 1191 CG TYR B 23 7.776 30.648 63.445 1.00 15.09 C ATOM 1192 CD1 TYR B 23 8.912 30.512 64.246 1.00 16.12 C ATOM 1193 CD2 TYR B 23 7.064 29.501 63.101 1.00 16.17 C ATOM 1194 CE1 TYR B 23 9.330 29.265 64.691 1.00 18.60 C ATOM 1195 CE2 TYR B 23 7.470 28.246 63.541 1.00 17.35 C ATOM 1196 CZ TYR B 23 8.605 28.136 64.333 1.00 18.49 C ATOM 1197 OH TYR B 23 9.026 26.904 64.759 1.00 21.71 O ATOM 0 H TYR B 23 4.822 31.958 63.477 1.00 14.18 H new ATOM 0 HA TYR B 23 6.996 32.679 64.893 1.00 13.15 H new ATOM 0 HB2 TYR B 23 6.779 31.899 62.182 1.00 14.41 H new ATOM 0 HB3 TYR B 23 8.103 32.524 62.718 1.00 14.41 H new ATOM 0 HD1 TYR B 23 9.396 31.269 64.485 1.00 16.12 H new ATOM 0 HD2 TYR B 23 6.305 29.576 62.569 1.00 16.17 H new ATOM 0 HE1 TYR B 23 10.088 29.187 65.224 1.00 18.60 H new ATOM 0 HE2 TYR B 23 6.986 27.487 63.307 1.00 17.35 H new ATOM 0 HH TYR B 23 8.363 26.395 64.843 1.00 21.71 H new ATOM 1198 N SER B 24 6.921 35.070 64.634 1.00 11.60 N ATOM 1199 CA SER B 24 6.922 36.521 64.453 1.00 11.69 C ATOM 1200 C SER B 24 7.770 36.970 63.264 1.00 10.67 C ATOM 1201 O SER B 24 8.706 36.284 62.846 1.00 9.18 O ATOM 1202 CB SER B 24 7.409 37.226 65.726 1.00 12.87 C ATOM 1203 OG SER B 24 8.770 36.924 65.986 1.00 15.77 O ATOM 0 H SER B 24 7.229 34.811 65.394 1.00 11.60 H new ATOM 0 HA SER B 24 6.004 36.773 64.268 1.00 11.69 H new ATOM 0 HB2 SER B 24 7.300 38.185 65.630 1.00 12.87 H new ATOM 0 HB3 SER B 24 6.864 36.952 66.480 1.00 12.87 H new ATOM 0 HG SER B 24 9.218 37.634 65.995 1.00 15.77 H new ATOM 1204 N LEU B 25 7.459 38.157 62.755 1.00 9.44 N ATOM 1205 CA LEU B 25 8.167 38.719 61.615 1.00 8.33 C ATOM 1206 C LEU B 25 9.680 38.751 61.801 1.00 6.65 C ATOM 1207 O LEU B 25 10.418 38.482 60.863 1.00 8.36 O ATOM 1208 CB LEU B 25 7.651 40.131 61.330 1.00 9.21 C ATOM 1209 CG LEU B 25 7.963 40.735 59.960 1.00 10.61 C ATOM 1210 CD1 LEU B 25 7.381 39.864 58.846 1.00 10.39 C ATOM 1211 CD2 LEU B 25 7.385 42.148 59.899 1.00 11.68 C ATOM 0 H LEU B 25 6.831 38.658 63.062 1.00 9.44 H new ATOM 0 HA LEU B 25 7.990 38.135 60.861 1.00 8.33 H new ATOM 0 HB2 LEU B 25 6.688 40.126 61.442 1.00 9.21 H new ATOM 0 HB3 LEU B 25 8.012 40.724 62.008 1.00 9.21 H new ATOM 0 HG LEU B 25 8.924 40.775 59.833 1.00 10.61 H new ATOM 0 HD11 LEU B 25 7.587 40.260 57.985 1.00 10.39 H new ATOM 0 HD12 LEU B 25 7.768 38.976 58.894 1.00 10.39 H new ATOM 0 HD13 LEU B 25 6.419 39.803 58.952 1.00 10.39 H new ATOM 0 HD21 LEU B 25 7.578 42.540 59.033 1.00 11.68 H new ATOM 0 HD22 LEU B 25 6.425 42.111 60.030 1.00 11.68 H new ATOM 0 HD23 LEU B 25 7.785 42.692 60.596 1.00 11.68 H new ATOM 1212 N GLY B 26 10.135 39.051 63.018 1.00 6.66 N ATOM 1213 CA GLY B 26 11.565 39.111 63.291 1.00 6.96 C ATOM 1214 C GLY B 26 12.300 37.819 62.962 1.00 6.16 C ATOM 1215 O GLY B 26 13.452 37.841 62.533 1.00 6.34 O ATOM 0 H GLY B 26 9.632 39.222 63.695 1.00 6.66 H new ATOM 0 HA2 GLY B 26 11.955 39.836 62.778 1.00 6.96 H new ATOM 0 HA3 GLY B 26 11.700 39.322 64.228 1.00 6.96 H new ATOM 1216 N ASN B 27 11.626 36.693 63.182 1.00 7.03 N ATOM 1217 CA ASN B 27 12.192 35.377 62.886 1.00 6.52 C ATOM 1218 C ASN B 27 12.510 35.245 61.405 1.00 5.20 C ATOM 1219 O ASN B 27 13.598 34.812 61.028 1.00 6.21 O ATOM 1220 CB ASN B 27 11.206 34.267 63.280 1.00 7.19 C ATOM 1221 CG ASN B 27 11.266 33.932 64.747 1.00 7.30 C ATOM 1222 OD1 ASN B 27 12.296 33.483 65.245 1.00 9.22 O ATOM 1223 ND2 ASN B 27 10.172 34.160 65.448 1.00 10.77 N ATOM 0 H ASN B 27 10.830 36.669 63.506 1.00 7.03 H new ATOM 0 HA ASN B 27 13.010 35.287 63.400 1.00 6.52 H new ATOM 0 HB2 ASN B 27 10.305 34.544 63.052 1.00 7.19 H new ATOM 0 HB3 ASN B 27 11.398 33.470 62.762 1.00 7.19 H new ATOM 0 HD21 ASN B 27 10.159 33.994 66.292 1.00 10.77 H new ATOM 0 HD22 ASN B 27 9.471 34.475 65.061 1.00 10.77 H new ATOM 1224 N TRP B 28 11.542 35.633 60.577 1.00 6.71 N ATOM 1225 CA TRP B 28 11.666 35.563 59.121 1.00 5.81 C ATOM 1226 C TRP B 28 12.748 36.482 58.560 1.00 5.25 C ATOM 1227 O TRP B 28 13.493 36.088 57.669 1.00 5.87 O ATOM 1228 CB TRP B 28 10.309 35.851 58.464 1.00 6.97 C ATOM 1229 CG TRP B 28 9.249 34.858 58.866 1.00 6.73 C ATOM 1230 CD1 TRP B 28 8.257 35.039 59.787 1.00 7.54 C ATOM 1231 CD2 TRP B 28 9.118 33.508 58.394 1.00 8.55 C ATOM 1232 NE1 TRP B 28 7.520 33.886 59.924 1.00 9.39 N ATOM 1233 CE2 TRP B 28 8.028 32.931 59.081 1.00 9.04 C ATOM 1234 CE3 TRP B 28 9.816 32.735 57.456 1.00 9.08 C ATOM 1235 CZ2 TRP B 28 7.621 31.610 58.864 1.00 9.34 C ATOM 1236 CZ3 TRP B 28 9.410 31.419 57.239 1.00 8.57 C ATOM 1237 CH2 TRP B 28 8.323 30.876 57.940 1.00 9.38 C ATOM 0 H TRP B 28 10.788 35.947 60.846 1.00 6.71 H new ATOM 0 HA TRP B 28 11.946 34.660 58.906 1.00 5.81 H new ATOM 0 HB2 TRP B 28 10.019 36.744 58.706 1.00 6.97 H new ATOM 0 HB3 TRP B 28 10.411 35.838 57.499 1.00 6.97 H new ATOM 0 HD1 TRP B 28 8.102 35.828 60.254 1.00 7.54 H new ATOM 0 HE1 TRP B 28 6.850 33.781 60.452 1.00 9.39 H new ATOM 0 HE3 TRP B 28 10.536 33.093 56.988 1.00 9.08 H new ATOM 0 HZ2 TRP B 28 6.903 31.243 59.328 1.00 9.34 H new ATOM 0 HZ3 TRP B 28 9.866 30.894 56.621 1.00 8.57 H new ATOM 0 HH2 TRP B 28 8.071 29.996 57.775 1.00 9.38 H new ATOM 1238 N VAL B 29 12.833 37.702 59.094 1.00 4.91 N ATOM 1239 CA VAL B 29 13.839 38.665 58.660 1.00 5.56 C ATOM 1240 C VAL B 29 15.225 38.154 59.051 1.00 3.66 C ATOM 1241 O VAL B 29 16.160 38.194 58.255 1.00 5.19 O ATOM 1242 CB VAL B 29 13.575 40.061 59.285 1.00 6.08 C ATOM 1243 CG1 VAL B 29 14.742 41.014 59.016 1.00 8.14 C ATOM 1244 CG2 VAL B 29 12.288 40.634 58.710 1.00 6.81 C ATOM 0 H VAL B 29 12.311 37.991 59.714 1.00 4.91 H new ATOM 0 HA VAL B 29 13.791 38.761 57.696 1.00 5.56 H new ATOM 0 HB VAL B 29 13.488 39.961 60.246 1.00 6.08 H new ATOM 0 HG11 VAL B 29 14.554 41.878 59.416 1.00 8.14 H new ATOM 0 HG12 VAL B 29 15.553 40.649 59.403 1.00 8.14 H new ATOM 0 HG13 VAL B 29 14.860 41.120 58.059 1.00 8.14 H new ATOM 0 HG21 VAL B 29 12.120 41.507 59.099 1.00 6.81 H new ATOM 0 HG22 VAL B 29 12.374 40.720 57.748 1.00 6.81 H new ATOM 0 HG23 VAL B 29 11.549 40.041 58.917 1.00 6.81 H new ATOM 1245 N CYS B 30 15.327 37.627 60.271 1.00 5.16 N ATOM 1246 CA CYS B 30 16.580 37.087 60.775 1.00 5.21 C ATOM 1247 C CYS B 30 17.022 35.890 59.942 1.00 4.25 C ATOM 1248 O CYS B 30 18.193 35.772 59.613 1.00 6.14 O ATOM 1249 CB CYS B 30 16.443 36.695 62.247 1.00 7.05 C ATOM 1250 SG CYS B 30 18.024 36.189 62.991 1.00 9.18 S ATOM 0 H CYS B 30 14.672 37.574 60.825 1.00 5.16 H new ATOM 0 HA CYS B 30 17.259 37.776 60.704 1.00 5.21 H new ATOM 0 HB2 CYS B 30 16.081 37.445 62.745 1.00 7.05 H new ATOM 0 HB3 CYS B 30 15.806 35.968 62.326 1.00 7.05 H new ATOM 1251 N ALA B 31 16.076 35.021 59.577 1.00 5.44 N ATOM 1252 CA ALA B 31 16.382 33.848 58.749 1.00 6.22 C ATOM 1253 C ALA B 31 16.965 34.278 57.391 1.00 4.75 C ATOM 1254 O ALA B 31 17.996 33.775 56.968 1.00 7.58 O ATOM 1255 CB ALA B 31 15.130 32.991 58.549 1.00 5.36 C ATOM 0 H ALA B 31 15.248 35.092 59.799 1.00 5.44 H new ATOM 0 HA ALA B 31 17.048 33.315 59.211 1.00 6.22 H new ATOM 0 HB1 ALA B 31 15.349 32.221 58.001 1.00 5.36 H new ATOM 0 HB2 ALA B 31 14.802 32.691 59.411 1.00 5.36 H new ATOM 0 HB3 ALA B 31 14.445 33.517 58.108 1.00 5.36 H new ATOM 1256 N ALA B 32 16.341 35.264 56.750 1.00 6.14 N ATOM 1257 CA ALA B 32 16.803 35.775 55.451 1.00 6.56 C ATOM 1258 C ALA B 32 18.184 36.425 55.543 1.00 5.66 C ATOM 1259 O ALA B 32 19.011 36.303 54.630 1.00 6.66 O ATOM 1260 CB ALA B 32 15.797 36.768 54.878 1.00 6.47 C ATOM 0 H ALA B 32 15.639 35.658 57.052 1.00 6.14 H new ATOM 0 HA ALA B 32 16.877 35.012 54.856 1.00 6.56 H new ATOM 0 HB1 ALA B 32 16.116 37.095 54.022 1.00 6.47 H new ATOM 0 HB2 ALA B 32 14.941 36.328 54.757 1.00 6.47 H new ATOM 0 HB3 ALA B 32 15.693 37.513 55.490 1.00 6.47 H new ATOM 1261 N LYS B 33 18.425 37.129 56.647 1.00 6.06 N ATOM 1262 CA LYS B 33 19.708 37.781 56.852 1.00 7.05 C ATOM 1263 C LYS B 33 20.855 36.777 56.820 1.00 5.24 C ATOM 1264 O LYS B 33 21.827 36.955 56.089 1.00 7.30 O ATOM 1265 CB LYS B 33 19.722 38.528 58.193 1.00 8.42 C ATOM 1266 CG LYS B 33 21.107 39.031 58.628 1.00 11.72 C ATOM 1267 CD LYS B 33 21.692 40.030 57.637 1.00 11.95 C ATOM 1268 CE LYS B 33 23.082 40.463 58.057 1.00 14.08 C ATOM 1269 NZ LYS B 33 23.663 41.419 57.079 1.00 17.03 N ATOM 0 H LYS B 33 17.859 37.239 57.285 1.00 6.06 H new ATOM 0 HA LYS B 33 19.831 38.413 56.127 1.00 7.05 H new ATOM 0 HB2 LYS B 33 19.119 39.286 58.134 1.00 8.42 H new ATOM 0 HB3 LYS B 33 19.373 37.940 58.881 1.00 8.42 H new ATOM 0 HG2 LYS B 33 21.039 39.446 59.502 1.00 11.72 H new ATOM 0 HG3 LYS B 33 21.710 38.277 58.719 1.00 11.72 H new ATOM 0 HD2 LYS B 33 21.727 39.631 56.754 1.00 11.95 H new ATOM 0 HD3 LYS B 33 21.113 40.806 57.575 1.00 11.95 H new ATOM 0 HE2 LYS B 33 23.044 40.876 58.934 1.00 14.08 H new ATOM 0 HE3 LYS B 33 23.657 39.685 58.134 1.00 14.08 H new ATOM 0 HZ1 LYS B 33 24.483 41.648 57.338 1.00 17.03 H new ATOM 0 HZ2 LYS B 33 23.702 41.036 56.276 1.00 17.03 H new ATOM 0 HZ3 LYS B 33 23.152 42.147 57.036 1.00 17.03 H new ATOM 1270 N PHE B 34 20.719 35.699 57.583 1.00 6.65 N ATOM 1271 CA PHE B 34 21.790 34.716 57.653 1.00 7.24 C ATOM 1272 C PHE B 34 21.806 33.640 56.586 1.00 7.13 C ATOM 1273 O PHE B 34 22.840 33.019 56.350 1.00 9.20 O ATOM 1274 CB PHE B 34 21.884 34.160 59.069 1.00 7.43 C ATOM 1275 CG PHE B 34 22.247 35.208 60.077 1.00 8.07 C ATOM 1276 CD1 PHE B 34 23.517 35.777 60.065 1.00 8.64 C ATOM 1277 CD2 PHE B 34 21.304 35.686 60.973 1.00 7.62 C ATOM 1278 CE1 PHE B 34 23.839 36.817 60.933 1.00 9.96 C ATOM 1279 CE2 PHE B 34 21.612 36.725 61.848 1.00 9.54 C ATOM 1280 CZ PHE B 34 22.883 37.291 61.824 1.00 8.63 C ATOM 0 H PHE B 34 20.026 35.520 58.060 1.00 6.65 H new ATOM 0 HA PHE B 34 22.600 35.204 57.437 1.00 7.24 H new ATOM 0 HB2 PHE B 34 21.034 33.762 59.313 1.00 7.43 H new ATOM 0 HB3 PHE B 34 22.546 33.452 59.091 1.00 7.43 H new ATOM 0 HD1 PHE B 34 24.158 35.459 59.471 1.00 8.64 H new ATOM 0 HD2 PHE B 34 20.454 35.308 60.990 1.00 7.62 H new ATOM 0 HE1 PHE B 34 24.690 37.193 60.917 1.00 9.96 H new ATOM 0 HE2 PHE B 34 20.972 37.039 62.445 1.00 9.54 H new ATOM 0 HZ PHE B 34 23.093 37.987 62.404 1.00 8.63 H new ATOM 1281 N GLU B 35 20.674 33.444 55.918 1.00 7.95 N ATOM 1282 CA GLU B 35 20.601 32.460 54.843 1.00 7.93 C ATOM 1283 C GLU B 35 21.165 33.021 53.545 1.00 8.06 C ATOM 1284 O GLU B 35 21.907 32.339 52.843 1.00 10.32 O ATOM 1285 CB GLU B 35 19.149 32.039 54.575 1.00 6.67 C ATOM 1286 CG GLU B 35 18.544 31.102 55.596 1.00 7.22 C ATOM 1287 CD GLU B 35 19.205 29.741 55.620 1.00 7.09 C ATOM 1288 OE1 GLU B 35 19.965 29.414 54.689 1.00 9.12 O ATOM 1289 OE2 GLU B 35 18.962 29.000 56.588 1.00 10.02 O ATOM 0 H GLU B 35 19.941 33.867 56.070 1.00 7.95 H new ATOM 0 HA GLU B 35 21.123 31.695 55.132 1.00 7.93 H new ATOM 0 HB2 GLU B 35 18.601 32.838 54.527 1.00 6.67 H new ATOM 0 HB3 GLU B 35 19.107 31.614 53.704 1.00 6.67 H new ATOM 0 HG2 GLU B 35 18.612 31.504 56.476 1.00 7.22 H new ATOM 0 HG3 GLU B 35 17.599 30.993 55.407 1.00 7.22 H new ATOM 1290 N SER B 36 20.847 34.282 53.253 1.00 8.10 N ATOM 1291 CA SER B 36 21.254 34.890 51.989 1.00 8.55 C ATOM 1292 C SER B 36 21.777 36.314 52.050 1.00 7.84 C ATOM 1293 O SER B 36 22.096 36.896 51.013 1.00 8.60 O ATOM 1294 CB SER B 36 20.049 34.915 51.063 1.00 8.06 C ATOM 1295 OG SER B 36 19.094 35.845 51.557 1.00 8.03 O ATOM 0 H SER B 36 20.398 34.800 53.772 1.00 8.10 H new ATOM 0 HA SER B 36 21.995 34.342 51.687 1.00 8.55 H new ATOM 0 HB2 SER B 36 20.323 35.163 50.166 1.00 8.06 H new ATOM 0 HB3 SER B 36 19.654 34.031 51.005 1.00 8.06 H new ATOM 0 HG SER B 36 18.414 35.432 51.828 1.00 8.03 H new ATOM 1296 N ASN B 37 21.808 36.889 53.245 1.00 9.54 N ATOM 1297 CA ASN B 37 22.242 38.275 53.417 1.00 10.45 C ATOM 1298 C ASN B 37 21.290 39.186 52.621 1.00 10.49 C ATOM 1299 O ASN B 37 21.724 40.129 51.948 1.00 11.91 O ATOM 1300 CB ASN B 37 23.698 38.456 52.957 1.00 13.06 C ATOM 1301 CG ASN B 37 24.379 39.655 53.614 1.00 14.92 C ATOM 1302 OD1 ASN B 37 23.831 40.262 54.533 1.00 20.06 O ATOM 1303 ND2 ASN B 37 25.563 40.007 53.134 1.00 13.93 N ATOM 0 H ASN B 37 21.581 36.494 53.974 1.00 9.54 H new ATOM 0 HA ASN B 37 22.210 38.515 54.356 1.00 10.45 H new ATOM 0 HB2 ASN B 37 24.200 37.652 53.161 1.00 13.06 H new ATOM 0 HB3 ASN B 37 23.718 38.566 51.993 1.00 13.06 H new ATOM 0 HD21 ASN B 37 25.978 40.683 53.466 1.00 13.93 H new ATOM 0 HD22 ASN B 37 25.916 39.559 52.490 1.00 13.93 H new ATOM 1304 N PHE B 38 19.996 38.858 52.679 1.00 9.27 N ATOM 1305 CA PHE B 38 18.927 39.611 51.997 1.00 10.14 C ATOM 1306 C PHE B 38 19.045 39.652 50.470 1.00 10.03 C ATOM 1307 O PHE B 38 18.460 40.523 49.823 1.00 10.84 O ATOM 1308 CB PHE B 38 18.851 41.063 52.515 1.00 9.25 C ATOM 1309 CG PHE B 38 18.520 41.184 53.976 1.00 9.98 C ATOM 1310 CD1 PHE B 38 17.596 40.334 54.572 1.00 10.03 C ATOM 1311 CD2 PHE B 38 19.135 42.154 54.757 1.00 10.50 C ATOM 1312 CE1 PHE B 38 17.287 40.445 55.928 1.00 10.92 C ATOM 1313 CE2 PHE B 38 18.833 42.271 56.110 1.00 10.50 C ATOM 1314 CZ PHE B 38 17.906 41.414 56.697 1.00 9.68 C ATOM 0 H PHE B 38 19.706 38.181 53.123 1.00 9.27 H new ATOM 0 HA PHE B 38 18.118 39.120 52.210 1.00 10.14 H new ATOM 0 HB2 PHE B 38 19.702 41.499 52.350 1.00 9.25 H new ATOM 0 HB3 PHE B 38 18.182 41.543 52.002 1.00 9.25 H new ATOM 0 HD1 PHE B 38 17.177 39.681 54.059 1.00 10.03 H new ATOM 0 HD2 PHE B 38 19.755 42.731 54.372 1.00 10.50 H new ATOM 0 HE1 PHE B 38 16.667 39.869 56.314 1.00 10.92 H new ATOM 0 HE2 PHE B 38 19.252 42.924 56.624 1.00 10.50 H new ATOM 0 HZ PHE B 38 17.704 41.493 57.601 1.00 9.68 H new ATOM 1315 N ASN B 39 19.779 38.705 49.900 1.00 9.70 N ATOM 1316 CA ASN B 39 19.993 38.658 48.458 1.00 10.16 C ATOM 1317 C ASN B 39 19.093 37.623 47.792 1.00 10.20 C ATOM 1318 O ASN B 39 19.213 36.430 48.055 1.00 10.59 O ATOM 1319 CB ASN B 39 21.466 38.343 48.187 1.00 11.36 C ATOM 1320 CG ASN B 39 21.836 38.448 46.721 1.00 11.10 C ATOM 1321 OD1 ASN B 39 20.995 38.697 45.867 1.00 11.90 O ATOM 1322 ND2 ASN B 39 23.116 38.254 46.429 1.00 15.93 N ATOM 0 H ASN B 39 20.166 38.073 50.336 1.00 9.70 H new ATOM 0 HA ASN B 39 19.765 39.521 48.079 1.00 10.16 H new ATOM 0 HB2 ASN B 39 22.021 38.952 48.700 1.00 11.36 H new ATOM 0 HB3 ASN B 39 21.663 37.447 48.501 1.00 11.36 H new ATOM 0 HD21 ASN B 39 23.383 38.301 45.613 1.00 15.93 H new ATOM 0 HD22 ASN B 39 23.679 38.081 47.056 1.00 15.93 H new ATOM 1323 N THR B 40 18.220 38.086 46.903 1.00 10.28 N ATOM 1324 CA THR B 40 17.285 37.200 46.210 1.00 11.23 C ATOM 1325 C THR B 40 17.928 36.245 45.206 1.00 11.15 C ATOM 1326 O THR B 40 17.341 35.222 44.866 1.00 11.41 O ATOM 1327 CB THR B 40 16.174 37.991 45.486 1.00 9.71 C ATOM 1328 OG1 THR B 40 16.763 38.900 44.552 1.00 12.17 O ATOM 1329 CG2 THR B 40 15.336 38.765 46.475 1.00 10.72 C ATOM 0 H THR B 40 18.152 38.915 46.685 1.00 10.28 H new ATOM 0 HA THR B 40 16.912 36.660 46.924 1.00 11.23 H new ATOM 0 HB THR B 40 15.603 37.361 45.019 1.00 9.71 H new ATOM 0 HG1 THR B 40 16.578 38.657 43.769 1.00 12.17 H new ATOM 0 HG21 THR B 40 14.645 39.254 46.001 1.00 10.72 H new ATOM 0 HG22 THR B 40 14.924 38.150 47.102 1.00 10.72 H new ATOM 0 HG23 THR B 40 15.900 39.389 46.958 1.00 10.72 H new ATOM 1330 N GLN B 41 19.129 36.577 44.743 1.00 12.59 N ATOM 1331 CA GLN B 41 19.841 35.753 43.764 1.00 12.71 C ATOM 1332 C GLN B 41 20.791 34.713 44.362 1.00 14.01 C ATOM 1333 O GLN B 41 21.451 33.976 43.621 1.00 13.58 O ATOM 1334 CB GLN B 41 20.631 36.649 42.804 1.00 15.96 C ATOM 1335 CG GLN B 41 19.789 37.457 41.825 1.00 18.87 C ATOM 1336 CD GLN B 41 19.196 36.617 40.710 1.00 20.73 C ATOM 1337 OE1 GLN B 41 18.298 37.066 39.999 1.00 23.19 O ATOM 1338 NE2 GLN B 41 19.702 35.399 40.543 1.00 20.75 N ATOM 0 H GLN B 41 19.555 37.284 44.985 1.00 12.59 H new ATOM 0 HA GLN B 41 19.148 35.255 43.303 1.00 12.71 H new ATOM 0 HB2 GLN B 41 21.170 37.263 43.327 1.00 15.96 H new ATOM 0 HB3 GLN B 41 21.245 36.094 42.298 1.00 15.96 H new ATOM 0 HG2 GLN B 41 19.071 37.894 42.309 1.00 18.87 H new ATOM 0 HG3 GLN B 41 20.337 38.157 41.438 1.00 18.87 H new ATOM 0 HE21 GLN B 41 20.330 35.120 41.060 1.00 20.75 H new ATOM 0 HE22 GLN B 41 19.402 34.891 39.918 1.00 20.75 H new ATOM 1339 N ALA B 42 20.858 34.650 45.692 1.00 13.42 N ATOM 1340 CA ALA B 42 21.743 33.710 46.380 1.00 13.29 C ATOM 1341 C ALA B 42 21.458 32.242 46.059 1.00 13.35 C ATOM 1342 O ALA B 42 20.306 31.810 46.090 1.00 12.52 O ATOM 1343 CB ALA B 42 21.671 33.932 47.883 1.00 13.29 C ATOM 0 H ALA B 42 20.394 35.148 46.218 1.00 13.42 H new ATOM 0 HA ALA B 42 22.637 33.893 46.052 1.00 13.29 H new ATOM 0 HB1 ALA B 42 22.260 33.305 48.331 1.00 13.29 H new ATOM 0 HB2 ALA B 42 21.946 34.839 48.090 1.00 13.29 H new ATOM 0 HB3 ALA B 42 20.760 33.794 48.187 1.00 13.29 H new ATOM 1344 N THR B 43 22.513 31.493 45.724 1.00 14.80 N ATOM 1345 CA THR B 43 22.401 30.060 45.425 1.00 16.77 C ATOM 1346 C THR B 43 23.532 29.283 46.093 1.00 17.27 C ATOM 1347 O THR B 43 24.635 29.800 46.270 1.00 18.94 O ATOM 1348 CB THR B 43 22.445 29.744 43.906 1.00 17.28 C ATOM 1349 OG1 THR B 43 23.705 30.153 43.362 1.00 20.01 O ATOM 1350 CG2 THR B 43 21.303 30.432 43.164 1.00 18.70 C ATOM 0 H THR B 43 23.314 31.801 45.664 1.00 14.80 H new ATOM 0 HA THR B 43 21.535 29.790 45.770 1.00 16.77 H new ATOM 0 HB THR B 43 22.340 28.787 43.791 1.00 17.28 H new ATOM 0 HG1 THR B 43 23.725 29.979 42.540 1.00 20.01 H new ATOM 0 HG21 THR B 43 21.355 30.218 42.219 1.00 18.70 H new ATOM 0 HG22 THR B 43 20.454 30.124 43.519 1.00 18.70 H new ATOM 0 HG23 THR B 43 21.373 31.392 43.281 1.00 18.70 H new ATOM 1351 N ASN B 44 23.258 28.029 46.433 1.00 17.86 N ATOM 1352 CA ASN B 44 24.247 27.178 47.076 1.00 19.62 C ATOM 1353 C ASN B 44 24.092 25.730 46.635 1.00 20.41 C ATOM 1354 O ASN B 44 23.130 25.065 47.006 1.00 18.32 O ATOM 1355 CB ASN B 44 24.112 27.275 48.595 1.00 20.87 C ATOM 1356 CG ASN B 44 25.022 26.313 49.319 1.00 22.58 C ATOM 1357 OD1 ASN B 44 26.247 26.418 49.235 1.00 24.57 O ATOM 1358 ND2 ASN B 44 24.428 25.379 50.054 1.00 23.60 N ATOM 0 H ASN B 44 22.498 27.650 46.298 1.00 17.86 H new ATOM 0 HA ASN B 44 25.128 27.485 46.811 1.00 19.62 H new ATOM 0 HB2 ASN B 44 24.314 28.181 48.877 1.00 20.87 H new ATOM 0 HB3 ASN B 44 23.192 27.097 48.847 1.00 20.87 H new ATOM 0 HD21 ASN B 44 24.902 24.815 50.497 1.00 23.60 H new ATOM 0 HD22 ASN B 44 23.570 25.339 50.087 1.00 23.60 H new ATOM 1359 N ARG B 45 25.070 25.239 45.878 1.00 24.51 N ATOM 1360 CA ARG B 45 25.048 23.866 45.378 1.00 28.41 C ATOM 1361 C ARG B 45 25.466 22.856 46.447 1.00 29.61 C ATOM 1362 O ARG B 45 26.581 22.915 46.966 1.00 30.73 O ATOM 1363 CB ARG B 45 25.965 23.744 44.161 1.00 31.71 C ATOM 1364 CG ARG B 45 25.918 22.392 43.467 1.00 36.31 C ATOM 1365 CD ARG B 45 26.890 22.358 42.290 1.00 40.13 C ATOM 1366 NE ARG B 45 26.824 21.109 41.528 1.00 44.89 N ATOM 1367 CZ ARG B 45 25.962 20.864 40.543 1.00 46.61 C ATOM 1368 NH1 ARG B 45 25.063 21.775 40.189 1.00 47.60 N ATOM 1369 NH2 ARG B 45 25.991 19.694 39.915 1.00 49.01 N ATOM 0 H ARG B 45 25.763 25.690 45.640 1.00 24.51 H new ATOM 0 HA ARG B 45 24.134 23.661 45.126 1.00 28.41 H new ATOM 0 HB2 ARG B 45 25.726 24.432 43.520 1.00 31.71 H new ATOM 0 HB3 ARG B 45 26.877 23.920 44.439 1.00 31.71 H new ATOM 0 HG2 ARG B 45 26.142 21.691 44.099 1.00 36.31 H new ATOM 0 HG3 ARG B 45 25.017 22.215 43.154 1.00 36.31 H new ATOM 0 HD2 ARG B 45 26.699 23.102 41.698 1.00 40.13 H new ATOM 0 HD3 ARG B 45 27.794 22.482 42.620 1.00 40.13 H new ATOM 0 HE ARG B 45 27.383 20.488 41.732 1.00 44.89 H new ATOM 0 HH11 ARG B 45 25.034 22.531 40.597 1.00 47.60 H new ATOM 0 HH12 ARG B 45 24.510 21.608 39.552 1.00 47.60 H new ATOM 0 HH21 ARG B 45 26.566 19.097 40.145 1.00 49.01 H new ATOM 0 HH22 ARG B 45 25.435 19.534 39.279 1.00 49.01 H new ATOM 1370 N ASN B 46 24.559 21.939 46.778 1.00 30.91 N ATOM 1371 CA ASN B 46 24.822 20.908 47.778 1.00 33.00 C ATOM 1372 C ASN B 46 25.544 19.689 47.195 1.00 33.50 C ATOM 1373 O ASN B 46 25.598 19.499 45.976 1.00 33.37 O ATOM 1374 CB ASN B 46 23.521 20.466 48.453 1.00 34.54 C ATOM 1375 CG ASN B 46 22.903 21.557 49.303 1.00 36.63 C ATOM 1376 OD1 ASN B 46 21.719 21.870 49.169 1.00 37.54 O ATOM 1377 ND2 ASN B 46 23.702 22.139 50.191 1.00 37.71 N ATOM 0 H ASN B 46 23.774 21.898 46.429 1.00 30.91 H new ATOM 0 HA ASN B 46 25.411 21.307 48.437 1.00 33.00 H new ATOM 0 HB2 ASN B 46 22.886 20.192 47.773 1.00 34.54 H new ATOM 0 HB3 ASN B 46 23.696 19.690 49.007 1.00 34.54 H new ATOM 0 HD21 ASN B 46 23.397 22.761 50.701 1.00 37.71 H new ATOM 0 HD22 ASN B 46 24.524 21.894 50.256 1.00 37.71 H new ATOM 1378 N THR B 47 26.070 18.853 48.089 1.00 34.48 N ATOM 1379 CA THR B 47 26.816 17.651 47.716 1.00 34.88 C ATOM 1380 C THR B 47 25.956 16.482 47.204 1.00 33.52 C ATOM 1381 O THR B 47 26.439 15.643 46.441 1.00 34.18 O ATOM 1382 CB THR B 47 27.726 17.183 48.896 1.00 36.60 C ATOM 1383 OG1 THR B 47 28.698 16.246 48.416 1.00 38.90 O ATOM 1384 CG2 THR B 47 26.901 16.535 50.013 1.00 37.84 C ATOM 0 H THR B 47 26.003 18.969 48.939 1.00 34.48 H new ATOM 0 HA THR B 47 27.360 17.917 46.958 1.00 34.88 H new ATOM 0 HB THR B 47 28.171 17.964 49.260 1.00 36.60 H new ATOM 0 HG1 THR B 47 29.186 15.998 49.053 1.00 38.90 H new ATOM 0 HG21 THR B 47 27.491 16.255 50.730 1.00 37.84 H new ATOM 0 HG22 THR B 47 26.259 17.176 50.355 1.00 37.84 H new ATOM 0 HG23 THR B 47 26.431 15.763 49.662 1.00 37.84 H new ATOM 1385 N ASP B 48 24.690 16.435 47.618 1.00 31.57 N ATOM 1386 CA ASP B 48 23.772 15.379 47.194 1.00 29.70 C ATOM 1387 C ASP B 48 23.135 15.692 45.838 1.00 28.05 C ATOM 1388 O ASP B 48 22.163 15.051 45.442 1.00 29.03 O ATOM 1389 CB ASP B 48 22.671 15.163 48.245 1.00 30.52 C ATOM 1390 CG ASP B 48 21.685 16.327 48.318 1.00 31.48 C ATOM 1391 OD1 ASP B 48 22.039 17.435 47.871 1.00 30.58 O ATOM 1392 OD2 ASP B 48 20.553 16.129 48.817 1.00 33.94 O ATOM 0 H ASP B 48 24.340 17.013 48.151 1.00 31.57 H new ATOM 0 HA ASP B 48 24.294 14.566 47.103 1.00 29.70 H new ATOM 0 HB2 ASP B 48 22.188 14.348 48.038 1.00 30.52 H new ATOM 0 HB3 ASP B 48 23.081 15.037 49.115 1.00 30.52 H new ATOM 1393 N GLY B 49 23.663 16.700 45.148 1.00 25.96 N ATOM 1394 CA GLY B 49 23.129 17.074 43.850 1.00 23.40 C ATOM 1395 C GLY B 49 21.985 18.075 43.887 1.00 21.87 C ATOM 1396 O GLY B 49 21.375 18.351 42.853 1.00 21.03 O ATOM 0 H GLY B 49 24.328 17.176 45.415 1.00 25.96 H new ATOM 0 HA2 GLY B 49 23.848 17.445 43.315 1.00 23.40 H new ATOM 0 HA3 GLY B 49 22.824 16.272 43.398 1.00 23.40 H new ATOM 1397 N SER B 50 21.674 18.603 45.069 1.00 19.37 N ATOM 1398 CA SER B 50 20.601 19.588 45.201 1.00 17.67 C ATOM 1399 C SER B 50 21.202 20.990 45.334 1.00 16.82 C ATOM 1400 O SER B 50 22.416 21.145 45.463 1.00 15.89 O ATOM 1401 CB SER B 50 19.699 19.272 46.401 1.00 16.93 C ATOM 1402 OG SER B 50 20.376 19.474 47.630 1.00 17.59 O ATOM 0 H SER B 50 22.071 18.405 45.806 1.00 19.37 H new ATOM 0 HA SER B 50 20.050 19.551 44.404 1.00 17.67 H new ATOM 0 HB2 SER B 50 18.909 19.834 46.370 1.00 16.93 H new ATOM 0 HB3 SER B 50 19.395 18.352 46.345 1.00 16.93 H new ATOM 0 HG SER B 50 20.773 18.767 47.851 1.00 17.59 H new ATOM 1403 N THR B 51 20.346 22.006 45.278 1.00 14.05 N ATOM 1404 CA THR B 51 20.786 23.392 45.379 1.00 13.34 C ATOM 1405 C THR B 51 19.791 24.212 46.203 1.00 10.87 C ATOM 1406 O THR B 51 18.593 23.941 46.189 1.00 10.25 O ATOM 1407 CB THR B 51 20.946 24.029 43.967 1.00 13.76 C ATOM 1408 OG1 THR B 51 21.904 23.278 43.207 1.00 14.86 O ATOM 1409 CG2 THR B 51 21.416 25.478 44.065 1.00 13.80 C ATOM 0 H THR B 51 19.497 21.911 45.181 1.00 14.05 H new ATOM 0 HA THR B 51 21.648 23.398 45.823 1.00 13.34 H new ATOM 0 HB THR B 51 20.081 24.012 43.529 1.00 13.76 H new ATOM 0 HG1 THR B 51 21.524 22.621 42.847 1.00 14.86 H new ATOM 0 HG21 THR B 51 21.507 25.850 43.174 1.00 13.80 H new ATOM 0 HG22 THR B 51 20.767 25.996 44.566 1.00 13.80 H new ATOM 0 HG23 THR B 51 22.273 25.510 44.518 1.00 13.80 H new ATOM 1410 N ASP B 52 20.313 25.161 46.977 1.00 9.82 N ATOM 1411 CA ASP B 52 19.488 26.040 47.798 1.00 8.66 C ATOM 1412 C ASP B 52 19.336 27.320 47.002 1.00 7.47 C ATOM 1413 O ASP B 52 20.323 27.880 46.528 1.00 8.08 O ATOM 1414 CB ASP B 52 20.172 26.317 49.138 1.00 10.84 C ATOM 1415 CG ASP B 52 20.463 25.043 49.915 1.00 10.95 C ATOM 1416 OD1 ASP B 52 19.557 24.200 50.038 1.00 12.02 O ATOM 1417 OD2 ASP B 52 21.602 24.894 50.400 1.00 16.47 O ATOM 0 H ASP B 52 21.157 25.312 47.040 1.00 9.82 H new ATOM 0 HA ASP B 52 18.627 25.641 47.998 1.00 8.66 H new ATOM 0 HB2 ASP B 52 21.002 26.794 48.982 1.00 10.84 H new ATOM 0 HB3 ASP B 52 19.607 26.897 49.673 1.00 10.84 H new ATOM 1418 N TYR B 53 18.095 27.814 46.918 1.00 7.70 N ATOM 1419 CA TYR B 53 17.831 28.971 46.056 1.00 7.91 C ATOM 1420 C TYR B 53 17.150 30.164 46.756 1.00 6.60 C ATOM 1421 O TYR B 53 16.233 30.004 47.559 1.00 7.41 O ATOM 1422 CB TYR B 53 16.861 28.593 44.936 1.00 8.26 C ATOM 1423 CG TYR B 53 17.421 27.618 43.919 1.00 8.47 C ATOM 1424 CD1 TYR B 53 17.335 26.240 44.137 1.00 9.31 C ATOM 1425 CD2 TYR B 53 18.017 28.096 42.757 1.00 10.65 C ATOM 1426 CE1 TYR B 53 17.844 25.348 43.185 1.00 9.65 C ATOM 1427 CE2 TYR B 53 18.523 27.208 41.808 1.00 10.74 C ATOM 1428 CZ TYR B 53 18.438 25.841 42.019 1.00 10.66 C ATOM 1429 OH TYR B 53 18.942 24.991 41.079 1.00 11.01 O ATOM 0 H TYR B 53 17.412 27.504 47.338 1.00 7.70 H new ATOM 0 HA TYR B 53 18.715 29.230 45.751 1.00 7.91 H new ATOM 0 HB2 TYR B 53 16.063 28.207 45.331 1.00 8.26 H new ATOM 0 HB3 TYR B 53 16.587 29.401 44.475 1.00 8.26 H new ATOM 0 HD1 TYR B 53 16.940 25.916 44.914 1.00 9.31 H new ATOM 0 HD2 TYR B 53 18.078 29.013 42.612 1.00 10.65 H new ATOM 0 HE1 TYR B 53 17.787 24.431 43.328 1.00 9.65 H new ATOM 0 HE2 TYR B 53 18.918 27.534 41.032 1.00 10.74 H new ATOM 0 HH TYR B 53 18.664 24.212 41.227 1.00 11.01 H new ATOM 1430 N GLY B 54 17.627 31.347 46.413 1.00 7.32 N ATOM 1431 CA GLY B 54 17.016 32.618 46.863 1.00 6.07 C ATOM 1432 C GLY B 54 17.265 33.104 48.295 1.00 7.15 C ATOM 1433 O GLY B 54 18.114 32.615 49.039 1.00 7.61 O ATOM 0 H GLY B 54 18.317 31.451 45.911 1.00 7.32 H new ATOM 0 HA2 GLY B 54 17.319 33.316 46.261 1.00 6.07 H new ATOM 0 HA3 GLY B 54 16.057 32.538 46.745 1.00 6.07 H new ATOM 1434 N ILE B 55 16.454 34.100 48.626 1.00 6.86 N ATOM 1435 CA ILE B 55 16.535 34.807 49.901 1.00 8.55 C ATOM 1436 C ILE B 55 16.313 33.886 51.114 1.00 8.55 C ATOM 1437 O ILE B 55 16.943 34.098 52.172 1.00 8.04 O ATOM 1438 CB ILE B 55 15.531 35.978 49.910 1.00 9.48 C ATOM 1439 CG1 ILE B 55 15.939 37.019 50.963 1.00 10.53 C ATOM 1440 CG2 ILE B 55 14.083 35.542 50.186 1.00 9.10 C ATOM 1441 CD1 ILE B 55 15.382 38.408 50.697 1.00 14.10 C ATOM 0 H ILE B 55 15.831 34.390 48.109 1.00 6.86 H new ATOM 0 HA ILE B 55 17.438 35.150 49.985 1.00 8.55 H new ATOM 0 HB ILE B 55 15.557 36.357 49.018 1.00 9.48 H new ATOM 0 HG12 ILE B 55 15.638 36.720 51.835 1.00 10.53 H new ATOM 0 HG13 ILE B 55 16.907 37.069 50.999 1.00 10.53 H new ATOM 0 HG21 ILE B 55 13.504 36.320 50.179 1.00 9.10 H new ATOM 0 HG22 ILE B 55 13.796 34.919 49.500 1.00 9.10 H new ATOM 0 HG23 ILE B 55 14.034 35.111 51.054 1.00 9.10 H new ATOM 0 HD11 ILE B 55 15.676 39.014 51.395 1.00 14.10 H new ATOM 0 HD12 ILE B 55 15.702 38.726 49.838 1.00 14.10 H new ATOM 0 HD13 ILE B 55 14.413 38.372 50.688 1.00 14.10 H new ATOM 1442 N LEU B 56 15.576 32.790 51.002 1.00 7.88 N ATOM 1443 CA LEU B 56 15.402 31.857 52.112 1.00 8.54 C ATOM 1444 C LEU B 56 16.101 30.509 51.889 1.00 7.88 C ATOM 1445 O LEU B 56 15.842 29.543 52.610 1.00 9.07 O ATOM 1446 CB LEU B 56 13.919 31.679 52.449 1.00 8.62 C ATOM 1447 CG LEU B 56 13.311 32.881 53.190 1.00 9.03 C ATOM 1448 CD1 LEU B 56 11.806 32.726 53.309 1.00 10.35 C ATOM 1449 CD2 LEU B 56 13.951 33.022 54.562 1.00 9.87 C ATOM 0 H LEU B 56 15.162 32.564 50.283 1.00 7.88 H new ATOM 0 HA LEU B 56 15.843 32.255 52.879 1.00 8.54 H new ATOM 0 HB2 LEU B 56 13.424 31.530 51.628 1.00 8.62 H new ATOM 0 HB3 LEU B 56 13.812 30.884 52.994 1.00 8.62 H new ATOM 0 HG LEU B 56 13.490 33.688 52.682 1.00 9.03 H new ATOM 0 HD11 LEU B 56 11.438 33.491 53.778 1.00 10.35 H new ATOM 0 HD12 LEU B 56 11.415 32.672 52.423 1.00 10.35 H new ATOM 0 HD13 LEU B 56 11.602 31.916 53.802 1.00 10.35 H new ATOM 0 HD21 LEU B 56 13.563 33.782 55.024 1.00 9.87 H new ATOM 0 HD22 LEU B 56 13.793 32.216 55.077 1.00 9.87 H new ATOM 0 HD23 LEU B 56 14.906 33.159 54.461 1.00 9.87 H new ATOM 1450 N GLN B 57 16.977 30.463 50.882 1.00 7.72 N ATOM 1451 CA GLN B 57 17.767 29.273 50.556 1.00 8.15 C ATOM 1452 C GLN B 57 16.989 27.956 50.589 1.00 8.91 C ATOM 1453 O GLN B 57 17.350 27.009 51.303 1.00 8.92 O ATOM 1454 CB GLN B 57 18.983 29.207 51.483 1.00 8.84 C ATOM 1455 CG GLN B 57 20.003 30.284 51.210 1.00 9.41 C ATOM 1456 CD GLN B 57 20.653 30.121 49.851 1.00 12.84 C ATOM 1457 OE1 GLN B 57 21.623 29.372 49.694 1.00 14.00 O ATOM 1458 NE2 GLN B 57 20.131 30.834 48.861 1.00 10.78 N ATOM 0 H GLN B 57 17.131 31.131 50.363 1.00 7.72 H new ATOM 0 HA GLN B 57 18.043 29.373 49.631 1.00 8.15 H new ATOM 0 HB2 GLN B 57 18.684 29.279 52.403 1.00 8.84 H new ATOM 0 HB3 GLN B 57 19.406 28.339 51.390 1.00 8.84 H new ATOM 0 HG2 GLN B 57 19.575 31.153 51.261 1.00 9.41 H new ATOM 0 HG3 GLN B 57 20.686 30.263 51.899 1.00 9.41 H new ATOM 0 HE21 GLN B 57 19.455 31.345 49.009 1.00 10.78 H new ATOM 0 HE22 GLN B 57 20.469 30.785 48.072 1.00 10.78 H new ATOM 1459 N ILE B 58 15.922 27.917 49.793 1.00 8.11 N ATOM 1460 CA ILE B 58 15.041 26.761 49.681 1.00 8.43 C ATOM 1461 C ILE B 58 15.684 25.679 48.803 1.00 9.06 C ATOM 1462 O ILE B 58 16.167 25.948 47.702 1.00 8.56 O ATOM 1463 CB ILE B 58 13.652 27.214 49.178 1.00 8.37 C ATOM 1464 CG1 ILE B 58 12.979 28.042 50.282 1.00 7.96 C ATOM 1465 CG2 ILE B 58 12.791 26.019 48.771 1.00 9.73 C ATOM 1466 CD1 ILE B 58 11.678 28.725 49.871 1.00 10.46 C ATOM 0 H ILE B 58 15.687 28.576 49.294 1.00 8.11 H new ATOM 0 HA ILE B 58 14.909 26.356 50.553 1.00 8.43 H new ATOM 0 HB ILE B 58 13.757 27.761 48.384 1.00 8.37 H new ATOM 0 HG12 ILE B 58 12.800 27.462 51.039 1.00 7.96 H new ATOM 0 HG13 ILE B 58 13.603 28.720 50.585 1.00 7.96 H new ATOM 0 HG21 ILE B 58 11.927 26.333 48.460 1.00 9.73 H new ATOM 0 HG22 ILE B 58 13.232 25.530 48.059 1.00 9.73 H new ATOM 0 HG23 ILE B 58 12.666 25.435 49.535 1.00 9.73 H new ATOM 0 HD11 ILE B 58 11.322 29.223 50.623 1.00 10.46 H new ATOM 0 HD12 ILE B 58 11.850 29.332 49.134 1.00 10.46 H new ATOM 0 HD13 ILE B 58 11.034 28.055 49.594 1.00 10.46 H new ATOM 1467 N ASN B 59 15.730 24.465 49.351 1.00 10.47 N ATOM 1468 CA ASN B 59 16.356 23.316 48.703 1.00 10.91 C ATOM 1469 C ASN B 59 15.525 22.633 47.615 1.00 10.13 C ATOM 1470 O ASN B 59 14.343 22.353 47.796 1.00 10.78 O ATOM 1471 CB ASN B 59 16.780 22.300 49.773 1.00 11.70 C ATOM 1472 CG ASN B 59 17.747 21.259 49.241 1.00 11.63 C ATOM 1473 OD1 ASN B 59 17.351 20.136 48.932 1.00 13.30 O ATOM 1474 ND2 ASN B 59 19.021 21.628 49.130 1.00 12.48 N ATOM 0 H ASN B 59 15.393 24.285 50.121 1.00 10.47 H new ATOM 0 HA ASN B 59 17.124 23.671 48.229 1.00 10.91 H new ATOM 0 HB2 ASN B 59 17.192 22.770 50.515 1.00 11.70 H new ATOM 0 HB3 ASN B 59 15.992 21.855 50.122 1.00 11.70 H new ATOM 0 HD21 ASN B 59 19.605 21.072 48.832 1.00 12.48 H new ATOM 0 HD22 ASN B 59 19.260 22.423 49.356 1.00 12.48 H new ATOM 1475 N SER B 60 16.198 22.295 46.521 1.00 10.85 N ATOM 1476 CA SER B 60 15.575 21.654 45.369 1.00 11.53 C ATOM 1477 C SER B 60 15.241 20.169 45.510 1.00 12.40 C ATOM 1478 O SER B 60 14.553 19.620 44.659 1.00 12.65 O ATOM 1479 CB SER B 60 16.454 21.839 44.137 1.00 10.58 C ATOM 1480 OG SER B 60 17.714 21.223 44.333 1.00 10.94 O ATOM 0 H SER B 60 17.041 22.433 46.426 1.00 10.85 H new ATOM 0 HA SER B 60 14.718 22.102 45.288 1.00 11.53 H new ATOM 0 HB2 SER B 60 16.017 21.456 43.360 1.00 10.58 H new ATOM 0 HB3 SER B 60 16.574 22.785 43.957 1.00 10.58 H new ATOM 0 HG SER B 60 17.895 20.738 43.672 1.00 10.94 H new ATOM 1481 N ARG B 61 15.760 19.503 46.537 1.00 13.22 N ATOM 1482 CA ARG B 61 15.472 18.083 46.720 1.00 14.01 C ATOM 1483 C ARG B 61 13.987 17.821 46.943 1.00 13.39 C ATOM 1484 O ARG B 61 13.445 16.832 46.456 1.00 14.93 O ATOM 1485 CB ARG B 61 16.284 17.513 47.893 1.00 17.58 C ATOM 1486 CG ARG B 61 15.879 16.099 48.333 1.00 21.23 C ATOM 1487 CD ARG B 61 16.037 15.077 47.211 1.00 24.75 C ATOM 1488 NE ARG B 61 15.512 13.763 47.587 1.00 26.26 N ATOM 1489 CZ ARG B 61 14.276 13.342 47.334 1.00 27.54 C ATOM 1490 NH1 ARG B 61 13.412 14.124 46.698 1.00 28.55 N ATOM 1491 NH2 ARG B 61 13.903 12.124 47.707 1.00 30.10 N ATOM 0 H ARG B 61 16.275 19.849 47.133 1.00 13.22 H new ATOM 0 HA ARG B 61 15.732 17.634 45.900 1.00 14.01 H new ATOM 0 HB2 ARG B 61 17.222 17.504 47.646 1.00 17.58 H new ATOM 0 HB3 ARG B 61 16.196 18.111 48.651 1.00 17.58 H new ATOM 0 HG2 ARG B 61 16.421 15.831 49.091 1.00 21.23 H new ATOM 0 HG3 ARG B 61 14.957 16.107 48.633 1.00 21.23 H new ATOM 0 HD2 ARG B 61 15.576 15.394 46.419 1.00 24.75 H new ATOM 0 HD3 ARG B 61 16.975 14.995 46.979 1.00 24.75 H new ATOM 0 HE ARG B 61 16.040 13.225 48.001 1.00 26.26 H new ATOM 0 HH11 ARG B 61 13.650 14.911 46.445 1.00 28.55 H new ATOM 0 HH12 ARG B 61 12.615 13.844 46.539 1.00 28.55 H new ATOM 0 HH21 ARG B 61 14.460 11.609 48.111 1.00 30.10 H new ATOM 0 HH22 ARG B 61 13.104 11.850 47.544 1.00 30.10 H new ATOM 1492 N TRP B 62 13.315 18.786 47.589 1.00 10.69 N ATOM 1493 CA TRP B 62 11.916 18.549 47.922 1.00 11.67 C ATOM 1494 C TRP B 62 10.937 19.653 47.494 1.00 10.98 C ATOM 1495 O TRP B 62 9.795 19.367 47.123 1.00 9.87 O ATOM 1496 CB TRP B 62 11.724 18.460 49.439 1.00 11.84 C ATOM 1497 CG TRP B 62 12.434 17.295 50.081 1.00 13.21 C ATOM 1498 CD1 TRP B 62 13.592 17.339 50.757 1.00 13.78 C ATOM 1499 CD2 TRP B 62 11.974 15.956 50.069 1.00 14.63 C ATOM 1500 NE1 TRP B 62 13.884 16.023 51.190 1.00 15.77 N ATOM 1501 CE2 TRP B 62 12.915 15.209 50.775 1.00 16.16 C ATOM 1502 CE3 TRP B 62 10.849 15.316 49.526 1.00 15.26 C ATOM 1503 CZ2 TRP B 62 12.791 13.827 50.974 1.00 17.39 C ATOM 1504 CZ3 TRP B 62 10.733 13.932 49.728 1.00 17.23 C ATOM 1505 CH2 TRP B 62 11.667 13.218 50.425 1.00 18.73 C ATOM 0 H TRP B 62 13.637 19.546 47.830 1.00 10.69 H new ATOM 0 HA TRP B 62 11.720 17.730 47.441 1.00 11.67 H new ATOM 0 HB2 TRP B 62 12.040 19.283 49.844 1.00 11.84 H new ATOM 0 HB3 TRP B 62 10.776 18.395 49.632 1.00 11.84 H new ATOM 0 HD1 TRP B 62 14.109 18.096 50.913 1.00 13.78 H new ATOM 0 HE1 TRP B 62 14.574 15.788 51.646 1.00 15.77 H new ATOM 0 HE3 TRP B 62 10.206 15.791 49.051 1.00 15.26 H new ATOM 0 HZ2 TRP B 62 13.427 13.342 51.448 1.00 17.39 H new ATOM 0 HZ3 TRP B 62 9.997 13.486 49.376 1.00 17.23 H new ATOM 0 HH2 TRP B 62 11.548 12.302 50.535 1.00 18.73 H new ATOM 1506 N TRP B 63 11.383 20.903 47.532 1.00 9.70 N ATOM 1507 CA TRP B 63 10.445 22.025 47.323 1.00 8.92 C ATOM 1508 C TRP B 63 10.314 22.649 45.927 1.00 7.88 C ATOM 1509 O TRP B 63 9.258 23.215 45.622 1.00 9.95 O ATOM 1510 CB TRP B 63 10.805 23.113 48.321 1.00 8.40 C ATOM 1511 CG TRP B 63 11.014 22.486 49.707 1.00 8.49 C ATOM 1512 CD1 TRP B 63 12.193 22.261 50.319 1.00 9.11 C ATOM 1513 CD2 TRP B 63 9.979 22.021 50.576 1.00 8.54 C ATOM 1514 NE1 TRP B 63 11.924 21.646 51.571 1.00 8.04 N ATOM 1515 CE2 TRP B 63 10.609 21.506 51.711 1.00 8.09 C ATOM 1516 CE3 TRP B 63 8.576 21.991 50.495 1.00 8.27 C ATOM 1517 CZ2 TRP B 63 9.900 20.945 52.786 1.00 9.15 C ATOM 1518 CZ3 TRP B 63 7.875 21.433 51.578 1.00 9.46 C ATOM 1519 CH2 TRP B 63 8.514 20.930 52.677 1.00 9.43 C ATOM 0 H TRP B 63 12.201 21.129 47.673 1.00 9.70 H new ATOM 0 HA TRP B 63 9.571 21.622 47.447 1.00 8.92 H new ATOM 0 HB2 TRP B 63 11.611 23.572 48.038 1.00 8.40 H new ATOM 0 HB3 TRP B 63 10.099 23.777 48.359 1.00 8.40 H new ATOM 0 HD1 TRP B 63 13.034 22.471 49.982 1.00 9.11 H new ATOM 0 HE1 TRP B 63 12.516 21.403 52.146 1.00 8.04 H new ATOM 0 HE3 TRP B 63 8.128 22.328 49.753 1.00 8.27 H new ATOM 0 HZ2 TRP B 63 10.335 20.601 53.532 1.00 9.15 H new ATOM 0 HZ3 TRP B 63 6.946 21.405 51.546 1.00 9.46 H new ATOM 0 HH2 TRP B 63 8.009 20.569 53.369 1.00 9.43 H new ATOM 1520 N CYS B 64 11.318 22.573 45.083 1.00 7.80 N ATOM 1521 CA CYS B 64 11.180 23.159 43.736 1.00 9.52 C ATOM 1522 C CYS B 64 11.885 22.298 42.698 1.00 9.79 C ATOM 1523 O CYS B 64 12.734 21.468 43.029 1.00 10.20 O ATOM 1524 CB CYS B 64 11.757 24.582 43.697 1.00 9.08 C ATOM 1525 SG CYS B 64 13.556 24.677 44.090 1.00 9.87 S ATOM 0 H CYS B 64 12.075 22.200 45.248 1.00 7.80 H new ATOM 0 HA CYS B 64 10.233 23.196 43.527 1.00 9.52 H new ATOM 0 HB2 CYS B 64 11.608 24.957 42.815 1.00 9.08 H new ATOM 0 HB3 CYS B 64 11.269 25.136 44.326 1.00 9.08 H new ATOM 1526 N ASN B 65 11.468 22.480 41.448 1.00 9.85 N ATOM 1527 CA ASN B 65 12.026 21.721 40.346 1.00 10.86 C ATOM 1528 C ASN B 65 13.081 22.514 39.582 1.00 11.29 C ATOM 1529 O ASN B 65 12.800 23.571 39.019 1.00 11.54 O ATOM 1530 CB ASN B 65 10.895 21.279 39.409 1.00 12.39 C ATOM 1531 CG ASN B 65 11.398 20.608 38.145 1.00 13.55 C ATOM 1532 OD1 ASN B 65 12.463 19.992 38.128 1.00 15.11 O ATOM 1533 ND2 ASN B 65 10.626 20.731 37.074 1.00 16.59 N ATOM 0 H ASN B 65 10.859 23.043 41.221 1.00 9.85 H new ATOM 0 HA ASN B 65 12.471 20.940 40.710 1.00 10.86 H new ATOM 0 HB2 ASN B 65 10.310 20.667 39.883 1.00 12.39 H new ATOM 0 HB3 ASN B 65 10.361 22.052 39.168 1.00 12.39 H new ATOM 0 HD21 ASN B 65 10.863 20.372 36.329 1.00 16.59 H new ATOM 0 HD22 ASN B 65 9.888 21.169 37.124 1.00 16.59 H new ATOM 1534 N ASP B 66 14.314 22.030 39.616 1.00 12.86 N ATOM 1535 CA ASP B 66 15.377 22.679 38.873 1.00 14.93 C ATOM 1536 C ASP B 66 15.843 21.729 37.777 1.00 16.72 C ATOM 1537 O ASP B 66 16.894 21.924 37.167 1.00 16.93 O ATOM 1538 CB ASP B 66 16.529 23.139 39.779 1.00 14.11 C ATOM 1539 CG ASP B 66 17.264 21.997 40.466 1.00 14.73 C ATOM 1540 OD1 ASP B 66 16.965 20.802 40.244 1.00 13.55 O ATOM 1541 OD2 ASP B 66 18.181 22.317 41.245 1.00 14.65 O ATOM 0 H ASP B 66 14.553 21.333 40.059 1.00 12.86 H new ATOM 0 HA ASP B 66 15.037 23.493 38.469 1.00 14.93 H new ATOM 0 HB2 ASP B 66 17.162 23.648 39.249 1.00 14.11 H new ATOM 0 HB3 ASP B 66 16.178 23.739 40.455 1.00 14.11 H new ATOM 1542 N GLY B 67 15.049 20.679 37.573 1.00 18.48 N ATOM 1543 CA GLY B 67 15.325 19.683 36.554 1.00 21.41 C ATOM 1544 C GLY B 67 16.582 18.847 36.692 1.00 22.38 C ATOM 1545 O GLY B 67 16.791 17.949 35.876 1.00 23.80 O ATOM 0 H GLY B 67 14.334 20.528 38.026 1.00 18.48 H new ATOM 0 HA2 GLY B 67 14.568 19.077 36.519 1.00 21.41 H new ATOM 0 HA3 GLY B 67 15.364 20.138 35.698 1.00 21.41 H new ATOM 1546 N ARG B 68 17.403 19.107 37.712 1.00 23.39 N ATOM 1547 CA ARG B 68 18.648 18.353 37.895 1.00 24.40 C ATOM 1548 C ARG B 68 18.848 17.748 39.288 1.00 23.98 C ATOM 1549 O ARG B 68 19.944 17.270 39.614 1.00 23.63 O ATOM 1550 CB ARG B 68 19.859 19.224 37.538 1.00 26.57 C ATOM 1551 CG ARG B 68 20.142 20.366 38.504 1.00 29.59 C ATOM 1552 CD ARG B 68 21.426 21.083 38.113 1.00 33.42 C ATOM 1553 NE ARG B 68 21.872 22.044 39.121 1.00 36.93 N ATOM 1554 CZ ARG B 68 21.351 23.257 39.300 1.00 38.54 C ATOM 1555 NH1 ARG B 68 20.347 23.681 38.542 1.00 38.90 N ATOM 1556 NH2 ARG B 68 21.854 24.060 40.232 1.00 39.36 N ATOM 0 H ARG B 68 17.259 19.712 38.306 1.00 23.39 H new ATOM 0 HA ARG B 68 18.570 17.599 37.289 1.00 24.40 H new ATOM 0 HB2 ARG B 68 20.645 18.657 37.491 1.00 26.57 H new ATOM 0 HB3 ARG B 68 19.723 19.595 36.652 1.00 26.57 H new ATOM 0 HG2 ARG B 68 19.401 20.992 38.501 1.00 29.59 H new ATOM 0 HG3 ARG B 68 20.219 20.022 39.408 1.00 29.59 H new ATOM 0 HD2 ARG B 68 22.125 20.427 37.967 1.00 33.42 H new ATOM 0 HD3 ARG B 68 21.289 21.545 37.271 1.00 33.42 H new ATOM 0 HE ARG B 68 22.519 21.809 39.637 1.00 36.93 H new ATOM 0 HH11 ARG B 68 20.027 23.171 37.928 1.00 38.90 H new ATOM 0 HH12 ARG B 68 20.017 24.466 38.665 1.00 38.90 H new ATOM 0 HH21 ARG B 68 22.513 23.796 40.717 1.00 39.36 H new ATOM 0 HH22 ARG B 68 21.520 24.844 40.350 1.00 39.36 H new ATOM 1557 N THR B 69 17.790 17.742 40.095 1.00 22.28 N ATOM 1558 CA THR B 69 17.877 17.203 41.447 1.00 22.03 C ATOM 1559 C THR B 69 17.189 15.850 41.579 1.00 22.67 C ATOM 1560 O THR B 69 16.018 15.704 41.223 1.00 21.66 O ATOM 1561 CB THR B 69 17.281 18.184 42.478 1.00 20.55 C ATOM 1562 OG1 THR B 69 17.957 19.443 42.372 1.00 18.36 O ATOM 1563 CG2 THR B 69 17.454 17.649 43.895 1.00 20.45 C ATOM 0 H THR B 69 17.015 18.045 39.879 1.00 22.28 H new ATOM 0 HA THR B 69 18.822 17.079 41.628 1.00 22.03 H new ATOM 0 HB THR B 69 16.334 18.289 42.295 1.00 20.55 H new ATOM 0 HG1 THR B 69 17.725 19.827 41.662 1.00 18.36 H new ATOM 0 HG21 THR B 69 17.074 18.279 44.527 1.00 20.45 H new ATOM 0 HG22 THR B 69 17.000 16.796 43.977 1.00 20.45 H new ATOM 0 HG23 THR B 69 18.398 17.532 44.084 1.00 20.45 H new ATOM 1564 N PRO B 70 17.914 14.846 42.105 1.00 25.09 N ATOM 1565 CA PRO B 70 17.396 13.488 42.301 1.00 26.01 C ATOM 1566 C PRO B 70 16.160 13.470 43.194 1.00 26.55 C ATOM 1567 O PRO B 70 16.027 14.294 44.103 1.00 25.93 O ATOM 1568 CB PRO B 70 18.580 12.756 42.949 1.00 27.13 C ATOM 1569 CG PRO B 70 19.371 13.859 43.611 1.00 28.02 C ATOM 1570 CD PRO B 70 19.314 14.937 42.562 1.00 26.43 C ATOM 0 HA PRO B 70 17.099 13.075 41.475 1.00 26.01 H new ATOM 0 HB2 PRO B 70 18.280 12.097 43.594 1.00 27.13 H new ATOM 0 HB3 PRO B 70 19.111 12.285 42.288 1.00 27.13 H new ATOM 0 HG2 PRO B 70 18.972 14.143 44.448 1.00 28.02 H new ATOM 0 HG3 PRO B 70 20.281 13.588 43.808 1.00 28.02 H new ATOM 0 HD2 PRO B 70 19.520 15.811 42.928 1.00 26.43 H new ATOM 0 HD3 PRO B 70 19.943 14.776 41.841 1.00 26.43 H new ATOM 1571 N GLY B 71 15.246 12.553 42.884 1.00 27.59 N ATOM 1572 CA GLY B 71 14.028 12.486 43.697 1.00 28.93 C ATOM 1573 C GLY B 71 12.829 13.138 42.963 1.00 30.36 C ATOM 1574 O GLY B 71 11.699 12.652 43.074 1.00 31.76 O ATOM 0 H GLY B 71 15.302 11.985 42.240 1.00 27.59 H new ATOM 0 HA2 GLY B 71 13.822 11.560 43.900 1.00 28.93 H new ATOM 0 HA3 GLY B 71 14.176 12.936 44.544 1.00 28.93 H new ATOM 1575 N ASER B 72 13.142 14.169 42.233 0.58 30.36 N ATOM 1576 CA ASER B 72 12.171 14.944 41.431 0.58 28.62 C ATOM 1577 C ASER B 72 10.888 15.242 42.250 0.58 26.23 C ATOM 1578 O ASER B 72 9.772 14.903 41.850 0.58 27.91 O ATOM 1579 CB ASER B 72 11.791 14.130 40.179 0.58 30.08 C ATOM 1580 OG ASER B 72 12.950 13.867 39.393 0.58 32.07 O ATOM 1581 N BSER B 72 13.122 14.247 42.228 0.40 30.36 N ATOM 1582 CA BSER B 72 12.107 15.018 41.436 0.40 28.62 C ATOM 1583 C BSER B 72 10.827 15.237 42.259 0.40 26.23 C ATOM 1584 O BSER B 72 9.743 14.740 41.908 0.40 27.91 O ATOM 1585 CB BSER B 72 11.747 14.246 40.158 0.40 30.08 C ATOM 1586 OG BSER B 72 12.931 13.899 39.450 0.40 32.07 O ATOM 0 H ASER B 72 13.946 14.467 42.172 0.58 30.36 H new ATOM 0 H BSER B 72 13.916 14.574 42.174 0.40 30.36 H new ATOM 0 HA ASER B 72 12.580 15.787 41.178 0.58 28.62 H new ATOM 0 HA BSER B 72 12.492 15.879 41.208 0.40 28.62 H new ATOM 0 HB2ASER B 72 11.374 13.295 40.442 0.58 30.08 H new ATOM 0 HB2BSER B 72 11.250 13.444 40.384 0.40 30.08 H new ATOM 0 HB3ASER B 72 11.139 14.619 39.653 0.58 30.08 H new ATOM 0 HB3BSER B 72 11.171 14.787 39.595 0.40 30.08 H new ATOM 0 HG ASER B 72 12.733 13.422 38.714 0.58 32.07 H new ATOM 0 HG BSER B 72 12.727 13.476 38.753 0.40 32.07 H new ATOM 1587 N AARG B 73 11.146 15.882 43.400 0.58 24.36 N ATOM 1588 CA AARG B 73 10.119 16.330 44.316 0.58 21.81 C ATOM 1589 C AARG B 73 10.047 17.843 44.157 0.58 19.79 C ATOM 1590 O AARG B 73 11.063 18.542 44.183 0.58 19.35 O ATOM 1591 CB AARG B 73 10.488 15.945 45.747 0.58 23.54 C ATOM 1592 CG AARG B 73 10.525 14.443 45.981 0.58 24.76 C ATOM 1593 CD AARG B 73 9.159 13.889 46.351 0.58 28.03 C ATOM 1594 NE AARG B 73 8.115 14.260 45.401 0.58 30.79 N ATOM 1595 CZ AARG B 73 6.811 14.157 45.644 0.58 32.59 C ATOM 1596 NH1AARG B 73 6.385 13.687 46.811 0.58 33.62 N ATOM 1597 NH2AARG B 73 5.932 14.542 44.727 0.58 32.95 N ATOM 1598 N BARG B 73 10.974 16.003 43.346 0.40 24.15 N ATOM 1599 CA BARG B 73 9.881 16.235 44.323 0.40 21.37 C ATOM 1600 C BARG B 73 8.949 17.435 44.051 0.40 19.39 C ATOM 1601 O BARG B 73 7.734 17.274 43.903 0.40 18.60 O ATOM 1602 CB BARG B 73 10.435 16.462 45.701 0.40 22.84 C ATOM 1603 CG BARG B 73 9.741 15.549 46.639 0.40 24.91 C ATOM 1604 CD BARG B 73 8.752 14.678 45.869 0.40 27.30 C ATOM 1605 NE BARG B 73 7.698 14.175 46.711 0.40 29.87 N ATOM 1606 CZ BARG B 73 6.415 14.081 46.366 0.40 31.10 C ATOM 1607 NH1BARG B 73 5.975 14.457 45.149 0.40 31.75 N ATOM 1608 NH2BARG B 73 5.480 13.617 47.188 0.40 30.96 N ATOM 0 H AARG B 73 11.944 16.066 43.664 0.58 24.15 H new ATOM 0 H BARG B 73 11.708 16.406 43.544 0.40 24.15 H new ATOM 0 HA AARG B 73 9.261 15.920 44.126 0.58 21.37 H new ATOM 0 HA BARG B 73 9.355 15.425 44.236 0.40 21.37 H new ATOM 0 HB2AARG B 73 11.357 16.320 45.961 0.58 22.84 H new ATOM 0 HB2BARG B 73 11.391 16.295 45.712 0.40 22.84 H new ATOM 0 HB3AARG B 73 9.848 16.344 46.357 0.58 22.84 H new ATOM 0 HB3BARG B 73 10.305 17.385 45.970 0.40 22.84 H new ATOM 0 HG2AARG B 73 10.846 14.000 45.180 0.58 24.91 H new ATOM 0 HG2BARG B 73 10.387 14.991 47.099 0.40 24.91 H new ATOM 0 HG3AARG B 73 11.157 14.243 46.689 0.58 24.91 H new ATOM 0 HG3BARG B 73 9.274 16.061 47.318 0.40 24.91 H new ATOM 0 HD2AARG B 73 9.212 12.922 46.404 0.58 27.30 H new ATOM 0 HD2BARG B 73 8.366 15.194 45.144 0.40 27.30 H new ATOM 0 HD3AARG B 73 8.914 14.209 47.234 0.58 27.30 H new ATOM 0 HD3BARG B 73 9.225 13.933 45.466 0.40 27.30 H new ATOM 0 HE AARG B 73 8.358 14.565 44.635 0.58 29.87 H new ATOM 0 HE BARG B 73 7.915 13.914 47.501 0.40 29.87 H new ATOM 0 HH11AARG B 73 6.953 13.448 47.412 0.58 31.75 H new ATOM 0 HH11BARG B 73 6.528 14.768 44.569 0.40 31.75 H new ATOM 0 HH12AARG B 73 5.542 13.621 46.966 0.58 31.75 H new ATOM 0 HH12BARG B 73 5.141 14.386 44.952 0.40 31.75 H new ATOM 0 HH21AARG B 73 6.205 14.858 43.975 0.58 30.96 H new ATOM 0 HH21BARG B 73 5.693 13.362 47.981 0.40 30.96 H new ATOM 0 HH22AARG B 73 5.089 14.475 44.884 0.58 30.96 H new ATOM 0 HH22BARG B 73 4.662 13.572 46.927 0.40 30.96 H new ATOM 1609 N AASN B 74 8.834 18.332 43.964 0.58 16.82 N ATOM 1610 CA AASN B 74 8.580 19.746 43.759 0.58 14.22 C ATOM 1611 C AASN B 74 7.342 19.980 44.561 0.58 13.12 C ATOM 1612 O AASN B 74 6.271 20.295 44.004 0.58 11.79 O ATOM 1613 CB AASN B 74 8.326 19.962 42.279 0.58 14.19 C ATOM 1614 CG AASN B 74 8.003 21.396 41.886 0.58 13.82 C ATOM 1615 OD1AASN B 74 8.094 22.303 42.730 0.58 12.86 O ATOM 1616 ND2AASN B 74 7.629 21.644 40.646 0.58 13.05 N ATOM 1617 N BASN B 74 9.485 18.603 44.047 0.40 16.16 N ATOM 1618 CA BASN B 74 8.732 19.868 43.782 0.40 14.05 C ATOM 1619 C BASN B 74 7.394 19.954 44.561 0.40 13.12 C ATOM 1620 O BASN B 74 6.302 19.959 43.968 0.40 11.79 O ATOM 1621 CB BASN B 74 8.389 19.976 42.293 0.40 14.19 C ATOM 1622 CG BASN B 74 8.008 21.397 41.871 0.40 13.82 C ATOM 1623 OD1BASN B 74 8.067 22.315 42.686 0.40 12.86 O ATOM 1624 ND2BASN B 74 7.615 21.636 40.634 0.40 13.05 N ATOM 0 H AASN B 74 8.125 17.845 43.948 0.58 16.16 H new ATOM 0 H BASN B 74 10.322 18.731 44.199 0.40 16.16 H new ATOM 0 HA AASN B 74 9.302 20.339 44.020 0.58 14.05 H new ATOM 0 HA BASN B 74 9.314 20.587 44.074 0.40 14.05 H new ATOM 0 HB2AASN B 74 9.109 19.674 41.785 0.58 14.19 H new ATOM 0 HB2BASN B 74 9.150 19.681 41.768 0.40 14.19 H new ATOM 0 HB3AASN B 74 7.591 19.392 42.004 0.58 14.19 H new ATOM 0 HB3BASN B 74 7.655 19.376 42.091 0.40 14.19 H new ATOM 0 HD21AASN B 74 7.442 22.448 40.406 0.58 13.05 H new ATOM 0 HD21BASN B 74 7.400 22.435 40.398 0.40 13.05 H new ATOM 0 HD22AASN B 74 7.572 21.001 40.077 0.58 13.05 H new ATOM 0 HD22BASN B 74 7.574 20.993 40.064 0.40 13.05 H new ATOM 1625 N LEU B 75 7.503 20.030 45.876 1.00 11.50 N ATOM 1626 CA LEU B 75 6.325 20.130 46.766 1.00 10.66 C ATOM 1627 C LEU B 75 5.729 21.542 46.698 1.00 9.95 C ATOM 1628 O LEU B 75 4.579 21.774 47.107 1.00 11.25 O ATOM 1629 CB LEU B 75 6.726 19.839 48.211 1.00 11.24 C ATOM 1630 CG LEU B 75 6.902 18.347 48.491 1.00 12.37 C ATOM 1631 CD1 LEU B 75 7.471 18.065 49.882 1.00 14.81 C ATOM 1632 CD2 LEU B 75 5.590 17.565 48.411 1.00 14.66 C ATOM 0 H ALEU B 75 8.263 20.009 46.278 0.58 11.50 H new ATOM 0 H BLEU B 75 8.256 20.026 46.291 0.40 11.50 H new ATOM 0 HA LEU B 75 5.668 19.480 46.472 1.00 10.66 H new ATOM 0 HB2 LEU B 75 7.555 20.301 48.411 1.00 11.24 H new ATOM 0 HB3 LEU B 75 6.051 20.198 48.808 1.00 11.24 H new ATOM 0 HG LEU B 75 7.518 18.059 47.799 1.00 12.37 H new ATOM 0 HD11 LEU B 75 7.562 17.107 50.007 1.00 14.81 H new ATOM 0 HD12 LEU B 75 8.341 18.486 49.967 1.00 14.81 H new ATOM 0 HD13 LEU B 75 6.872 18.423 50.556 1.00 14.81 H new ATOM 0 HD21 LEU B 75 5.760 16.628 48.596 1.00 14.66 H new ATOM 0 HD22 LEU B 75 4.964 17.915 49.064 1.00 14.66 H new ATOM 0 HD23 LEU B 75 5.213 17.655 47.522 1.00 14.66 H new ATOM 1633 N CYS B 76 6.439 22.576 46.253 1.00 10.18 N ATOM 1634 CA CYS B 76 5.872 23.948 46.179 1.00 11.08 C ATOM 1635 C CYS B 76 5.325 24.233 44.772 1.00 11.24 C ATOM 1636 O CYS B 76 4.699 25.276 44.536 1.00 11.24 O ATOM 1637 CB CYS B 76 6.928 24.993 46.533 1.00 10.89 C ATOM 1638 SG CYS B 76 7.272 25.034 48.346 1.00 9.18 S ATOM 0 H CYS B 76 7.254 22.516 45.986 1.00 10.18 H new ATOM 0 HA CYS B 76 5.147 24.002 46.821 1.00 11.08 H new ATOM 0 HB2 CYS B 76 7.748 24.800 46.053 1.00 10.89 H new ATOM 0 HB3 CYS B 76 6.628 25.868 46.241 1.00 10.89 H new ATOM 1639 N ASN B 77 5.483 23.278 43.858 1.00 11.22 N ATOM 1640 CA ASN B 77 4.973 23.383 42.487 1.00 11.77 C ATOM 1641 C ASN B 77 5.487 24.639 41.777 1.00 11.03 C ATOM 1642 O ASN B 77 4.710 25.437 41.249 1.00 11.06 O ATOM 1643 CB ASN B 77 3.432 23.337 42.496 1.00 12.66 C ATOM 1644 CG ASN B 77 2.829 23.345 41.092 1.00 14.26 C ATOM 1645 OD1 ASN B 77 3.318 22.670 40.183 1.00 17.23 O ATOM 1646 ND2 ASN B 77 1.766 24.120 40.913 1.00 15.46 N ATOM 0 H ASN B 77 5.895 22.540 44.017 1.00 11.22 H new ATOM 0 HA ASN B 77 5.307 22.624 41.983 1.00 11.77 H new ATOM 0 HB2 ASN B 77 3.139 22.539 42.964 1.00 12.66 H new ATOM 0 HB3 ASN B 77 3.093 24.098 42.993 1.00 12.66 H new ATOM 0 HD21 ASN B 77 1.392 24.165 40.140 1.00 15.46 H new ATOM 0 HD22 ASN B 77 1.452 24.577 41.570 1.00 15.46 H new ATOM 1647 N ILE B 78 6.809 24.783 41.735 1.00 10.15 N ATOM 1648 CA ILE B 78 7.444 25.944 41.102 1.00 10.10 C ATOM 1649 C ILE B 78 8.852 25.632 40.610 1.00 9.78 C ATOM 1650 O ILE B 78 9.531 24.765 41.168 1.00 9.02 O ATOM 1651 CB ILE B 78 7.596 27.144 42.107 1.00 11.54 C ATOM 1652 CG1 ILE B 78 8.268 26.672 43.407 1.00 11.43 C ATOM 1653 CG2 ILE B 78 6.249 27.824 42.371 1.00 12.92 C ATOM 1654 CD1 ILE B 78 8.567 27.778 44.396 1.00 12.94 C ATOM 0 H ILE B 78 7.363 24.216 42.069 1.00 10.15 H new ATOM 0 HA ILE B 78 6.862 26.175 40.361 1.00 10.10 H new ATOM 0 HB ILE B 78 8.171 27.812 41.703 1.00 11.54 H new ATOM 0 HG12 ILE B 78 7.694 26.017 43.835 1.00 11.43 H new ATOM 0 HG13 ILE B 78 9.097 26.220 43.184 1.00 11.43 H new ATOM 0 HG21 ILE B 78 6.373 28.558 42.993 1.00 12.92 H new ATOM 0 HG22 ILE B 78 5.889 28.164 41.537 1.00 12.92 H new ATOM 0 HG23 ILE B 78 5.630 27.181 42.751 1.00 12.92 H new ATOM 0 HD11 ILE B 78 8.988 27.402 45.185 1.00 12.94 H new ATOM 0 HD12 ILE B 78 9.165 28.424 43.988 1.00 12.94 H new ATOM 0 HD13 ILE B 78 7.740 28.218 44.650 1.00 12.94 H new ATOM 1655 N PRO B 79 9.273 26.257 39.489 1.00 9.30 N ATOM 1656 CA PRO B 79 10.637 25.985 39.025 1.00 9.03 C ATOM 1657 C PRO B 79 11.533 26.696 40.049 1.00 8.99 C ATOM 1658 O PRO B 79 11.144 27.735 40.598 1.00 8.56 O ATOM 1659 CB PRO B 79 10.683 26.673 37.651 1.00 10.08 C ATOM 1660 CG PRO B 79 9.663 27.769 37.774 1.00 11.28 C ATOM 1661 CD PRO B 79 8.538 27.100 38.527 1.00 10.55 C ATOM 0 HA PRO B 79 10.905 25.056 38.949 1.00 9.03 H new ATOM 0 HB2 PRO B 79 11.565 27.026 37.458 1.00 10.08 H new ATOM 0 HB3 PRO B 79 10.461 26.057 36.935 1.00 10.08 H new ATOM 0 HG2 PRO B 79 10.014 28.534 38.257 1.00 11.28 H new ATOM 0 HG3 PRO B 79 9.374 28.090 36.906 1.00 11.28 H new ATOM 0 HD2 PRO B 79 7.965 27.744 38.972 1.00 10.55 H new ATOM 0 HD3 PRO B 79 7.972 26.574 37.941 1.00 10.55 H new ATOM 1662 N CYS B 80 12.693 26.127 40.359 1.00 9.32 N ATOM 1663 CA CYS B 80 13.565 26.760 41.346 1.00 9.05 C ATOM 1664 C CYS B 80 13.953 28.183 40.953 1.00 9.15 C ATOM 1665 O CYS B 80 14.222 29.017 41.817 1.00 9.33 O ATOM 1666 CB CYS B 80 14.808 25.918 41.604 1.00 9.84 C ATOM 1667 SG CYS B 80 14.457 24.288 42.320 1.00 10.81 S ATOM 0 H CYS B 80 12.989 25.394 40.021 1.00 9.32 H new ATOM 0 HA CYS B 80 13.055 26.818 42.169 1.00 9.05 H new ATOM 0 HB2 CYS B 80 15.286 25.798 40.768 1.00 9.84 H new ATOM 0 HB3 CYS B 80 15.398 26.403 42.201 1.00 9.84 H new ATOM 1668 N SER B 81 13.941 28.459 39.649 1.00 9.16 N ATOM 1669 CA SER B 81 14.285 29.780 39.121 1.00 9.12 C ATOM 1670 C SER B 81 13.356 30.867 39.670 1.00 8.53 C ATOM 1671 O SER B 81 13.759 32.022 39.806 1.00 9.92 O ATOM 1672 CB SER B 81 14.247 29.771 37.590 1.00 10.07 C ATOM 1673 OG SER B 81 12.938 29.505 37.116 1.00 14.09 O ATOM 0 H SER B 81 13.733 27.884 39.044 1.00 9.16 H new ATOM 0 HA SER B 81 15.187 29.987 39.413 1.00 9.12 H new ATOM 0 HB2 SER B 81 14.550 30.628 37.251 1.00 10.07 H new ATOM 0 HB3 SER B 81 14.860 29.099 37.252 1.00 10.07 H new ATOM 0 HG SER B 81 12.951 29.438 36.279 1.00 14.09 H new ATOM 1674 N ALA B 82 12.128 30.484 40.012 1.00 8.28 N ATOM 1675 CA ALA B 82 11.140 31.408 40.570 1.00 9.59 C ATOM 1676 C ALA B 82 11.560 31.930 41.960 1.00 10.40 C ATOM 1677 O ALA B 82 11.109 32.986 42.410 1.00 10.37 O ATOM 1678 CB ALA B 82 9.782 30.720 40.659 1.00 9.69 C ATOM 0 H ALA B 82 11.842 29.677 39.927 1.00 8.28 H new ATOM 0 HA ALA B 82 11.082 32.173 39.976 1.00 9.59 H new ATOM 0 HB1 ALA B 82 9.131 31.336 41.029 1.00 9.69 H new ATOM 0 HB2 ALA B 82 9.499 30.445 39.773 1.00 9.69 H new ATOM 0 HB3 ALA B 82 9.851 29.940 41.232 1.00 9.69 H new ATOM 1679 N LEU B 83 12.419 31.172 42.640 1.00 9.78 N ATOM 1680 CA LEU B 83 12.902 31.550 43.965 1.00 9.18 C ATOM 1681 C LEU B 83 14.062 32.550 43.877 1.00 9.20 C ATOM 1682 O LEU B 83 14.555 33.027 44.900 1.00 9.56 O ATOM 1683 CB LEU B 83 13.326 30.297 44.739 1.00 9.57 C ATOM 1684 CG LEU B 83 12.219 29.257 44.935 1.00 9.43 C ATOM 1685 CD1 LEU B 83 12.788 27.982 45.554 1.00 11.12 C ATOM 1686 CD2 LEU B 83 11.104 29.834 45.790 1.00 11.06 C ATOM 0 H LEU B 83 12.736 30.428 42.347 1.00 9.78 H new ATOM 0 HA LEU B 83 12.178 31.988 44.439 1.00 9.18 H new ATOM 0 HB2 LEU B 83 14.066 29.879 44.272 1.00 9.57 H new ATOM 0 HB3 LEU B 83 13.657 30.567 45.610 1.00 9.57 H new ATOM 0 HG LEU B 83 11.847 29.026 44.070 1.00 9.43 H new ATOM 0 HD11 LEU B 83 12.076 27.334 45.672 1.00 11.12 H new ATOM 0 HD12 LEU B 83 13.467 27.613 44.968 1.00 11.12 H new ATOM 0 HD13 LEU B 83 13.183 28.189 46.416 1.00 11.12 H new ATOM 0 HD21 LEU B 83 10.409 29.168 45.908 1.00 11.06 H new ATOM 0 HD22 LEU B 83 11.459 30.088 46.657 1.00 11.06 H new ATOM 0 HD23 LEU B 83 10.732 30.615 45.352 1.00 11.06 H new ATOM 1687 N LEU B 84 14.486 32.866 42.652 1.00 9.09 N ATOM 1688 CA LEU B 84 15.582 33.812 42.416 1.00 9.74 C ATOM 1689 C LEU B 84 15.097 35.192 41.971 1.00 10.55 C ATOM 1690 O LEU B 84 15.903 36.083 41.713 1.00 12.20 O ATOM 1691 CB LEU B 84 16.539 33.257 41.363 1.00 9.50 C ATOM 1692 CG LEU B 84 17.236 31.955 41.737 1.00 9.95 C ATOM 1693 CD1 LEU B 84 18.123 31.502 40.585 1.00 11.17 C ATOM 1694 CD2 LEU B 84 18.052 32.173 43.009 1.00 11.02 C ATOM 0 H LEU B 84 14.146 32.538 41.933 1.00 9.09 H new ATOM 0 HA LEU B 84 16.036 33.922 43.266 1.00 9.74 H new ATOM 0 HB2 LEU B 84 16.045 33.117 40.540 1.00 9.50 H new ATOM 0 HB3 LEU B 84 17.216 33.927 41.177 1.00 9.50 H new ATOM 0 HG LEU B 84 16.581 31.260 41.905 1.00 9.95 H new ATOM 0 HD11 LEU B 84 18.566 30.673 40.824 1.00 11.17 H new ATOM 0 HD12 LEU B 84 17.580 31.361 39.794 1.00 11.17 H new ATOM 0 HD13 LEU B 84 18.789 32.183 40.402 1.00 11.17 H new ATOM 0 HD21 LEU B 84 18.499 31.347 43.253 1.00 11.02 H new ATOM 0 HD22 LEU B 84 18.714 32.865 42.854 1.00 11.02 H new ATOM 0 HD23 LEU B 84 17.462 32.446 43.729 1.00 11.02 H new ATOM 1695 N SER B 85 13.782 35.348 41.881 1.00 10.74 N ATOM 1696 CA SER B 85 13.150 36.597 41.457 1.00 13.24 C ATOM 1697 C SER B 85 13.270 37.713 42.505 1.00 13.77 C ATOM 1698 O SER B 85 13.421 37.437 43.695 1.00 13.66 O ATOM 1699 CB SER B 85 11.668 36.315 41.164 1.00 13.70 C ATOM 1700 OG SER B 85 10.952 37.481 40.806 1.00 17.96 O ATOM 0 H SER B 85 13.221 34.723 42.067 1.00 10.74 H new ATOM 0 HA SER B 85 13.611 36.912 40.664 1.00 13.24 H new ATOM 0 HB2 SER B 85 11.602 35.666 40.446 1.00 13.70 H new ATOM 0 HB3 SER B 85 11.258 35.915 41.947 1.00 13.70 H new ATOM 0 HG SER B 85 10.250 37.265 40.398 1.00 17.96 H new ATOM 1701 N SER B 86 13.216 38.970 42.061 1.00 13.65 N ATOM 1702 CA SER B 86 13.267 40.102 42.992 1.00 14.81 C ATOM 1703 C SER B 86 11.918 40.199 43.740 1.00 14.03 C ATOM 1704 O SER B 86 11.813 40.853 44.777 1.00 15.09 O ATOM 1705 CB SER B 86 13.593 41.409 42.253 1.00 15.57 C ATOM 1706 OG SER B 86 12.711 41.630 41.167 1.00 19.87 O ATOM 0 H SER B 86 13.150 39.189 41.232 1.00 13.65 H new ATOM 0 HA SER B 86 13.977 39.957 43.637 1.00 14.81 H new ATOM 0 HB2 SER B 86 13.538 42.154 42.872 1.00 15.57 H new ATOM 0 HB3 SER B 86 14.506 41.378 41.928 1.00 15.57 H new ATOM 0 HG SER B 86 13.139 41.590 40.445 1.00 19.87 H new ATOM 1707 N ASP B 87 10.908 39.527 43.179 1.00 13.33 N ATOM 1708 CA ASP B 87 9.539 39.416 43.708 1.00 12.60 C ATOM 1709 C ASP B 87 9.603 38.210 44.652 1.00 11.02 C ATOM 1710 O ASP B 87 9.821 37.085 44.206 1.00 11.75 O ATOM 1711 CB ASP B 87 8.584 39.148 42.523 1.00 13.72 C ATOM 1712 CG ASP B 87 7.196 38.635 42.938 1.00 14.29 C ATOM 1713 OD1 ASP B 87 6.773 38.808 44.097 1.00 11.82 O ATOM 1714 OD2 ASP B 87 6.509 38.060 42.055 1.00 15.91 O ATOM 0 H ASP B 87 11.007 39.100 42.439 1.00 13.33 H new ATOM 0 HA ASP B 87 9.221 40.210 44.166 1.00 12.60 H new ATOM 0 HB2 ASP B 87 8.477 39.967 42.015 1.00 13.72 H new ATOM 0 HB3 ASP B 87 8.994 38.499 41.930 1.00 13.72 H new ATOM 1715 N ILE B 88 9.410 38.445 45.948 1.00 10.01 N ATOM 1716 CA ILE B 88 9.504 37.366 46.938 1.00 8.60 C ATOM 1717 C ILE B 88 8.296 36.457 47.085 1.00 8.10 C ATOM 1718 O ILE B 88 8.321 35.540 47.903 1.00 7.09 O ATOM 1719 CB ILE B 88 9.874 37.895 48.351 1.00 7.94 C ATOM 1720 CG1 ILE B 88 8.721 38.715 48.940 1.00 7.70 C ATOM 1721 CG2 ILE B 88 11.163 38.693 48.290 1.00 10.81 C ATOM 1722 CD1 ILE B 88 8.849 39.021 50.414 1.00 10.34 C ATOM 0 H ILE B 88 9.224 39.218 46.277 1.00 10.01 H new ATOM 0 HA ILE B 88 10.212 36.822 46.560 1.00 8.60 H new ATOM 0 HB ILE B 88 10.022 37.141 48.943 1.00 7.94 H new ATOM 0 HG12 ILE B 88 8.654 39.552 48.454 1.00 7.70 H new ATOM 0 HG13 ILE B 88 7.891 38.235 48.793 1.00 7.70 H new ATOM 0 HG21 ILE B 88 11.385 39.018 49.177 1.00 10.81 H new ATOM 0 HG22 ILE B 88 11.880 38.126 47.966 1.00 10.81 H new ATOM 0 HG23 ILE B 88 11.050 39.446 47.689 1.00 10.81 H new ATOM 0 HD11 ILE B 88 8.083 39.540 50.705 1.00 10.34 H new ATOM 0 HD12 ILE B 88 8.886 38.191 50.915 1.00 10.34 H new ATOM 0 HD13 ILE B 88 9.661 39.529 50.570 1.00 10.34 H new ATOM 1723 N THR B 89 7.256 36.686 46.286 1.00 8.01 N ATOM 1724 CA THR B 89 6.035 35.888 46.366 1.00 7.60 C ATOM 1725 C THR B 89 6.263 34.369 46.368 1.00 6.93 C ATOM 1726 O THR B 89 5.800 33.676 47.278 1.00 7.66 O ATOM 1727 CB THR B 89 5.026 36.257 45.240 1.00 8.93 C ATOM 1728 OG1 THR B 89 4.696 37.648 45.326 1.00 7.72 O ATOM 1729 CG2 THR B 89 3.746 35.432 45.372 1.00 8.52 C ATOM 0 H THR B 89 7.238 37.303 45.687 1.00 8.01 H new ATOM 0 HA THR B 89 5.661 36.117 47.231 1.00 7.60 H new ATOM 0 HB THR B 89 5.439 36.066 44.383 1.00 8.93 H new ATOM 0 HG1 THR B 89 5.301 38.103 44.962 1.00 7.72 H new ATOM 0 HG21 THR B 89 3.130 35.675 44.663 1.00 8.52 H new ATOM 0 HG22 THR B 89 3.961 34.488 45.304 1.00 8.52 H new ATOM 0 HG23 THR B 89 3.334 35.609 46.232 1.00 8.52 H new ATOM 1730 N ALA B 90 6.993 33.857 45.378 1.00 7.34 N ATOM 1731 CA ALA B 90 7.245 32.417 45.302 1.00 6.98 C ATOM 1732 C ALA B 90 7.978 31.898 46.543 1.00 7.53 C ATOM 1733 O ALA B 90 7.599 30.862 47.105 1.00 8.04 O ATOM 1734 CB ALA B 90 8.020 32.071 44.041 1.00 6.96 C ATOM 0 H ALA B 90 7.348 34.320 44.746 1.00 7.34 H new ATOM 0 HA ALA B 90 6.382 31.976 45.268 1.00 6.98 H new ATOM 0 HB1 ALA B 90 8.177 31.114 44.009 1.00 6.96 H new ATOM 0 HB2 ALA B 90 7.508 32.340 43.262 1.00 6.96 H new ATOM 0 HB3 ALA B 90 8.871 32.537 44.045 1.00 6.96 H new ATOM 1735 N SER B 91 8.995 32.633 46.986 1.00 6.49 N ATOM 1736 CA SER B 91 9.764 32.244 48.170 1.00 6.87 C ATOM 1737 C SER B 91 8.910 32.206 49.441 1.00 6.28 C ATOM 1738 O SER B 91 8.997 31.262 50.223 1.00 7.33 O ATOM 1739 CB SER B 91 10.960 33.177 48.372 1.00 5.00 C ATOM 1740 OG SER B 91 11.965 32.938 47.407 1.00 6.01 O ATOM 0 H SER B 91 9.258 33.363 46.615 1.00 6.49 H new ATOM 0 HA SER B 91 10.083 31.343 48.008 1.00 6.87 H new ATOM 0 HB2 SER B 91 10.667 34.100 48.315 1.00 5.00 H new ATOM 0 HB3 SER B 91 11.326 33.050 49.261 1.00 5.00 H new ATOM 0 HG SER B 91 11.735 33.276 46.673 1.00 6.01 H new ATOM 1741 N VAL B 92 8.086 33.231 49.637 1.00 5.87 N ATOM 1742 CA VAL B 92 7.215 33.306 50.807 1.00 6.20 C ATOM 1743 C VAL B 92 6.159 32.198 50.821 1.00 7.00 C ATOM 1744 O VAL B 92 5.939 31.563 51.851 1.00 7.89 O ATOM 1745 CB VAL B 92 6.520 34.697 50.908 1.00 8.01 C ATOM 1746 CG1 VAL B 92 5.428 34.694 51.966 1.00 9.14 C ATOM 1747 CG2 VAL B 92 7.550 35.754 51.233 1.00 10.33 C ATOM 0 H VAL B 92 8.016 33.899 49.100 1.00 5.87 H new ATOM 0 HA VAL B 92 7.788 33.181 51.579 1.00 6.20 H new ATOM 0 HB VAL B 92 6.106 34.894 50.053 1.00 8.01 H new ATOM 0 HG11 VAL B 92 5.014 35.570 52.007 1.00 9.14 H new ATOM 0 HG12 VAL B 92 4.758 34.031 51.738 1.00 9.14 H new ATOM 0 HG13 VAL B 92 5.814 34.479 52.829 1.00 9.14 H new ATOM 0 HG21 VAL B 92 7.117 36.620 51.296 1.00 10.33 H new ATOM 0 HG22 VAL B 92 7.974 35.543 52.079 1.00 10.33 H new ATOM 0 HG23 VAL B 92 8.221 35.779 50.533 1.00 10.33 H new ATOM 1748 N ASN B 93 5.508 31.966 49.685 1.00 6.66 N ATOM 1749 CA ASN B 93 4.468 30.940 49.611 1.00 8.34 C ATOM 1750 C ASN B 93 5.046 29.550 49.855 1.00 7.29 C ATOM 1751 O ASN B 93 4.423 28.718 50.521 1.00 9.07 O ATOM 1752 CB ASN B 93 3.739 30.985 48.254 1.00 9.75 C ATOM 1753 CG ASN B 93 2.876 32.235 48.086 1.00 12.03 C ATOM 1754 OD1 ASN B 93 2.547 32.911 49.062 1.00 15.29 O ATOM 1755 ND2 ASN B 93 2.504 32.540 46.849 1.00 12.89 N ATOM 0 H ASN B 93 5.651 32.388 48.949 1.00 6.66 H new ATOM 0 HA ASN B 93 3.824 31.129 50.311 1.00 8.34 H new ATOM 0 HB2 ASN B 93 4.393 30.950 47.539 1.00 9.75 H new ATOM 0 HB3 ASN B 93 3.180 30.197 48.166 1.00 9.75 H new ATOM 0 HD21 ASN B 93 2.015 33.232 46.706 1.00 12.89 H new ATOM 0 HD22 ASN B 93 2.752 32.045 46.191 1.00 12.89 H new ATOM 1756 N CYS B 94 6.255 29.324 49.351 1.00 6.17 N ATOM 1757 CA CYS B 94 6.920 28.038 49.521 1.00 7.03 C ATOM 1758 C CYS B 94 7.366 27.879 50.980 1.00 7.70 C ATOM 1759 O CYS B 94 7.167 26.821 51.581 1.00 8.15 O ATOM 1760 CB CYS B 94 8.109 27.920 48.567 1.00 7.60 C ATOM 1761 SG CYS B 94 8.861 26.261 48.520 1.00 9.32 S ATOM 0 H CYS B 94 6.708 29.904 48.906 1.00 6.17 H new ATOM 0 HA CYS B 94 6.298 27.325 49.307 1.00 7.03 H new ATOM 0 HB2 CYS B 94 7.819 28.159 47.673 1.00 7.60 H new ATOM 0 HB3 CYS B 94 8.786 28.564 48.827 1.00 7.60 H new ATOM 1762 N ALA B 95 7.928 28.947 51.551 1.00 6.67 N ATOM 1763 CA ALA B 95 8.362 28.931 52.948 1.00 6.93 C ATOM 1764 C ALA B 95 7.194 28.586 53.877 1.00 6.99 C ATOM 1765 O ALA B 95 7.389 27.915 54.891 1.00 8.15 O ATOM 1766 CB ALA B 95 8.976 30.273 53.338 1.00 7.20 C ATOM 0 H ALA B 95 8.067 29.692 51.144 1.00 6.67 H new ATOM 0 HA ALA B 95 9.040 28.244 53.044 1.00 6.93 H new ATOM 0 HB1 ALA B 95 9.257 30.243 54.266 1.00 7.20 H new ATOM 0 HB2 ALA B 95 9.744 30.454 52.774 1.00 7.20 H new ATOM 0 HB3 ALA B 95 8.318 30.976 53.223 1.00 7.20 H new ATOM 1767 N LYS B 96 5.983 29.033 53.531 1.00 6.39 N ATOM 1768 CA LYS B 96 4.800 28.738 54.339 1.00 7.26 C ATOM 1769 C LYS B 96 4.526 27.238 54.378 1.00 7.80 C ATOM 1770 O LYS B 96 4.038 26.717 55.377 1.00 8.96 O ATOM 1771 CB LYS B 96 3.571 29.476 53.813 1.00 8.25 C ATOM 1772 CG LYS B 96 3.566 30.957 54.151 1.00 8.83 C ATOM 1773 CD LYS B 96 2.328 31.649 53.598 1.00 11.70 C ATOM 1774 CE LYS B 96 2.332 33.123 53.963 1.00 12.63 C ATOM 1775 NZ LYS B 96 1.152 33.832 53.412 1.00 13.59 N ATOM 0 H LYS B 96 5.827 29.509 52.832 1.00 6.39 H new ATOM 0 HA LYS B 96 4.982 29.047 55.240 1.00 7.26 H new ATOM 0 HB2 LYS B 96 3.527 29.371 52.850 1.00 8.25 H new ATOM 0 HB3 LYS B 96 2.773 29.065 54.180 1.00 8.25 H new ATOM 0 HG2 LYS B 96 3.599 31.071 55.114 1.00 8.83 H new ATOM 0 HG3 LYS B 96 4.362 31.376 53.788 1.00 8.83 H new ATOM 0 HD2 LYS B 96 2.299 31.550 52.634 1.00 11.70 H new ATOM 0 HD3 LYS B 96 1.530 31.225 53.951 1.00 11.70 H new ATOM 0 HE2 LYS B 96 2.344 33.217 54.928 1.00 12.63 H new ATOM 0 HE3 LYS B 96 3.143 33.537 53.628 1.00 12.63 H new ATOM 0 HZ1 LYS B 96 1.257 34.710 53.517 1.00 13.59 H new ATOM 0 HZ2 LYS B 96 1.071 33.645 52.546 1.00 13.59 H new ATOM 0 HZ3 LYS B 96 0.419 33.567 53.842 1.00 13.59 H new ATOM 1776 N LYS B 97 4.829 26.551 53.281 1.00 8.64 N ATOM 1777 CA LYS B 97 4.633 25.106 53.239 1.00 8.95 C ATOM 1778 C LYS B 97 5.736 24.410 54.030 1.00 9.02 C ATOM 1779 O LYS B 97 5.465 23.472 54.785 1.00 9.11 O ATOM 1780 CB LYS B 97 4.600 24.598 51.801 1.00 10.88 C ATOM 1781 CG LYS B 97 3.395 25.095 51.029 1.00 16.39 C ATOM 1782 CD LYS B 97 3.217 24.338 49.726 1.00 21.46 C ATOM 1783 CE LYS B 97 1.974 24.811 48.982 1.00 24.63 C ATOM 1784 NZ LYS B 97 2.077 26.241 48.567 1.00 26.87 N ATOM 0 H LYS B 97 5.145 26.897 52.560 1.00 8.64 H new ATOM 0 HA LYS B 97 3.776 24.900 53.644 1.00 8.95 H new ATOM 0 HB2 LYS B 97 5.409 24.878 51.345 1.00 10.88 H new ATOM 0 HB3 LYS B 97 4.598 23.628 51.805 1.00 10.88 H new ATOM 0 HG2 LYS B 97 2.598 24.997 51.573 1.00 16.39 H new ATOM 0 HG3 LYS B 97 3.496 26.042 50.843 1.00 16.39 H new ATOM 0 HD2 LYS B 97 3.999 24.463 49.167 1.00 21.46 H new ATOM 0 HD3 LYS B 97 3.147 23.388 49.908 1.00 21.46 H new ATOM 0 HE2 LYS B 97 1.838 24.257 48.197 1.00 24.63 H new ATOM 0 HE3 LYS B 97 1.196 24.696 49.549 1.00 24.63 H new ATOM 0 HZ1 LYS B 97 1.383 26.451 48.051 1.00 26.87 H new ATOM 0 HZ2 LYS B 97 2.077 26.761 49.289 1.00 26.87 H new ATOM 0 HZ3 LYS B 97 2.832 26.365 48.113 1.00 26.87 H new ATOM 1785 N ILE B 98 6.967 24.903 53.884 1.00 8.43 N ATOM 1786 CA ILE B 98 8.126 24.340 54.581 1.00 9.02 C ATOM 1787 C ILE B 98 7.975 24.437 56.103 1.00 10.13 C ATOM 1788 O ILE B 98 8.153 23.440 56.806 1.00 10.00 O ATOM 1789 CB ILE B 98 9.445 25.034 54.158 1.00 8.81 C ATOM 1790 CG1 ILE B 98 9.696 24.841 52.663 1.00 8.76 C ATOM 1791 CG2 ILE B 98 10.626 24.476 54.953 1.00 10.37 C ATOM 1792 CD1 ILE B 98 10.952 25.531 52.165 1.00 8.14 C ATOM 0 H ILE B 98 7.154 25.573 53.378 1.00 8.43 H new ATOM 0 HA ILE B 98 8.166 23.405 54.326 1.00 9.02 H new ATOM 0 HB ILE B 98 9.359 25.982 54.345 1.00 8.81 H new ATOM 0 HG12 ILE B 98 9.760 23.892 52.473 1.00 8.76 H new ATOM 0 HG13 ILE B 98 8.933 25.178 52.168 1.00 8.76 H new ATOM 0 HG21 ILE B 98 11.442 24.921 54.676 1.00 10.37 H new ATOM 0 HG22 ILE B 98 10.480 24.629 55.900 1.00 10.37 H new ATOM 0 HG23 ILE B 98 10.706 23.523 54.789 1.00 10.37 H new ATOM 0 HD11 ILE B 98 11.054 25.371 51.214 1.00 8.14 H new ATOM 0 HD12 ILE B 98 10.883 26.485 52.326 1.00 8.14 H new ATOM 0 HD13 ILE B 98 11.723 25.179 52.636 1.00 8.14 H new ATOM 1793 N VAL B 99 7.616 25.623 56.603 1.00 8.97 N ATOM 1794 CA VAL B 99 7.445 25.845 58.045 1.00 9.54 C ATOM 1795 C VAL B 99 6.274 25.058 58.661 1.00 10.12 C ATOM 1796 O VAL B 99 6.155 24.964 59.881 1.00 11.27 O ATOM 1797 CB VAL B 99 7.297 27.365 58.370 1.00 8.46 C ATOM 1798 CG1 VAL B 99 5.880 27.843 58.121 1.00 8.60 C ATOM 1799 CG2 VAL B 99 7.710 27.641 59.795 1.00 9.96 C ATOM 0 H VAL B 99 7.465 26.318 56.120 1.00 8.97 H new ATOM 0 HA VAL B 99 8.255 25.504 58.454 1.00 9.54 H new ATOM 0 HB VAL B 99 7.885 27.858 57.776 1.00 8.46 H new ATOM 0 HG11 VAL B 99 5.816 28.788 58.330 1.00 8.60 H new ATOM 0 HG12 VAL B 99 5.650 27.702 57.189 1.00 8.60 H new ATOM 0 HG13 VAL B 99 5.267 27.345 58.684 1.00 8.60 H new ATOM 0 HG21 VAL B 99 7.613 28.588 59.983 1.00 9.96 H new ATOM 0 HG22 VAL B 99 7.147 27.133 60.400 1.00 9.96 H new ATOM 0 HG23 VAL B 99 8.636 27.380 59.920 1.00 9.96 H new ATOM 1800 N SER B 100 5.410 24.509 57.809 1.00 11.74 N ATOM 1801 CA SER B 100 4.257 23.724 58.247 1.00 12.78 C ATOM 1802 C SER B 100 4.531 22.224 58.091 1.00 13.16 C ATOM 1803 O SER B 100 3.675 21.401 58.414 1.00 14.75 O ATOM 1804 CB SER B 100 3.021 24.068 57.402 1.00 12.86 C ATOM 1805 OG SER B 100 2.703 25.447 57.439 1.00 14.25 O ATOM 0 H SER B 100 5.477 24.582 56.955 1.00 11.74 H new ATOM 0 HA SER B 100 4.097 23.937 59.180 1.00 12.78 H new ATOM 0 HB2 SER B 100 3.177 23.800 56.483 1.00 12.86 H new ATOM 0 HB3 SER B 100 2.262 23.556 57.722 1.00 12.86 H new ATOM 0 HG SER B 100 3.105 25.844 56.817 1.00 14.25 H new ATOM 1806 N ASP B 101 5.728 21.883 57.618 1.00 13.47 N ATOM 1807 CA ASP B 101 6.114 20.493 57.359 1.00 14.35 C ATOM 1808 C ASP B 101 6.489 19.626 58.571 1.00 14.82 C ATOM 1809 O ASP B 101 6.828 18.452 58.411 1.00 15.70 O ATOM 1810 CB ASP B 101 7.219 20.458 56.291 1.00 14.54 C ATOM 1811 CG ASP B 101 7.394 19.083 55.655 1.00 13.51 C ATOM 1812 OD1 ASP B 101 6.398 18.500 55.186 1.00 16.95 O ATOM 1813 OD2 ASP B 101 8.535 18.593 55.613 1.00 15.37 O ATOM 0 H ASP B 101 6.345 22.454 57.437 1.00 13.47 H new ATOM 0 HA ASP B 101 5.299 20.072 57.044 1.00 14.35 H new ATOM 0 HB2 ASP B 101 7.012 21.105 55.598 1.00 14.54 H new ATOM 0 HB3 ASP B 101 8.058 20.732 56.693 1.00 14.54 H new ATOM 1814 N GLY B 102 6.452 20.196 59.772 1.00 14.58 N ATOM 1815 CA GLY B 102 6.748 19.406 60.958 1.00 14.38 C ATOM 1816 C GLY B 102 7.978 19.741 61.777 1.00 14.53 C ATOM 1817 O GLY B 102 8.185 19.156 62.838 1.00 15.45 O ATOM 0 H GLY B 102 6.262 21.022 59.919 1.00 14.58 H new ATOM 0 HA2 GLY B 102 5.980 19.464 61.547 1.00 14.38 H new ATOM 0 HA3 GLY B 102 6.824 18.480 60.681 1.00 14.38 H new ATOM 1818 N ASN B 103 8.801 20.663 61.296 1.00 13.20 N ATOM 1819 CA ASN B 103 10.004 21.032 62.023 1.00 11.85 C ATOM 1820 C ASN B 103 10.077 22.539 62.235 1.00 11.52 C ATOM 1821 O ASN B 103 11.126 23.062 62.607 1.00 12.99 O ATOM 1822 CB ASN B 103 11.252 20.555 61.276 1.00 11.71 C ATOM 1823 CG ASN B 103 12.474 20.472 62.177 1.00 9.48 C ATOM 1824 OD1 ASN B 103 12.355 20.233 63.377 1.00 11.99 O ATOM 1825 ND2 ASN B 103 13.647 20.658 61.602 1.00 10.59 N ATOM 0 H ASN B 103 8.682 21.084 60.556 1.00 13.20 H new ATOM 0 HA ASN B 103 9.968 20.599 62.890 1.00 11.85 H new ATOM 0 HB2 ASN B 103 11.080 19.683 60.889 1.00 11.71 H new ATOM 0 HB3 ASN B 103 11.436 21.160 60.541 1.00 11.71 H new ATOM 0 HD21 ASN B 103 14.367 20.614 62.070 1.00 10.59 H new ATOM 0 HD22 ASN B 103 13.691 20.823 60.759 1.00 10.59 H new ATOM 1826 N GLY B 104 8.959 23.221 62.004 1.00 10.30 N ATOM 1827 CA GLY B 104 8.913 24.664 62.168 1.00 9.05 C ATOM 1828 C GLY B 104 10.031 25.343 61.408 1.00 9.15 C ATOM 1829 O GLY B 104 10.357 24.951 60.287 1.00 8.40 O ATOM 0 H GLY B 104 8.218 22.865 61.752 1.00 10.30 H new ATOM 0 HA2 GLY B 104 8.058 24.999 61.856 1.00 9.05 H new ATOM 0 HA3 GLY B 104 8.979 24.886 63.110 1.00 9.05 H new ATOM 1830 N MET B 105 10.650 26.342 62.030 1.00 9.39 N ATOM 1831 CA MET B 105 11.742 27.064 61.386 1.00 9.08 C ATOM 1832 C MET B 105 13.119 26.413 61.492 1.00 8.68 C ATOM 1833 O MET B 105 14.104 26.932 60.950 1.00 9.12 O ATOM 1834 CB MET B 105 11.779 28.524 61.840 1.00 10.01 C ATOM 1835 CG MET B 105 10.611 29.331 61.293 1.00 10.95 C ATOM 1836 SD MET B 105 10.879 31.083 61.422 1.00 13.32 S ATOM 1837 CE MET B 105 12.173 31.302 60.202 1.00 10.88 C ATOM 0 H MET B 105 10.454 26.616 62.821 1.00 9.39 H new ATOM 0 HA MET B 105 11.534 27.025 60.439 1.00 9.08 H new ATOM 0 HB2 MET B 105 11.767 28.559 62.809 1.00 10.01 H new ATOM 0 HB3 MET B 105 12.612 28.929 61.551 1.00 10.01 H new ATOM 0 HG2 MET B 105 10.466 29.096 60.363 1.00 10.95 H new ATOM 0 HG3 MET B 105 9.803 29.094 61.775 1.00 10.95 H new ATOM 0 HE1 MET B 105 12.262 32.244 59.990 1.00 10.88 H new ATOM 0 HE2 MET B 105 13.012 30.970 60.557 1.00 10.88 H new ATOM 0 HE3 MET B 105 11.946 30.810 59.397 1.00 10.88 H new ATOM 1838 N ASN B 106 13.185 25.263 62.167 1.00 7.73 N ATOM 1839 CA ASN B 106 14.446 24.540 62.292 1.00 9.22 C ATOM 1840 C ASN B 106 14.873 23.992 60.936 1.00 7.81 C ATOM 1841 O ASN B 106 15.994 23.515 60.780 1.00 8.45 O ATOM 1842 CB ASN B 106 14.342 23.416 63.325 1.00 10.18 C ATOM 1843 CG ASN B 106 14.307 23.941 64.746 1.00 11.19 C ATOM 1844 OD1 ASN B 106 15.287 24.501 65.230 1.00 12.82 O ATOM 1845 ND2 ASN B 106 13.165 23.791 65.406 1.00 14.75 N ATOM 0 H ASN B 106 12.515 24.889 62.556 1.00 7.73 H new ATOM 0 HA ASN B 106 15.123 25.161 62.604 1.00 9.22 H new ATOM 0 HB2 ASN B 106 13.541 22.896 63.155 1.00 10.18 H new ATOM 0 HB3 ASN B 106 15.097 22.815 63.223 1.00 10.18 H new ATOM 0 HD21 ASN B 106 13.089 24.092 66.208 1.00 14.75 H new ATOM 0 HD22 ASN B 106 12.501 23.393 65.032 1.00 14.75 H new ATOM 1846 N ALA B 107 13.979 24.110 59.949 1.00 8.20 N ATOM 1847 CA ALA B 107 14.256 23.676 58.580 1.00 7.95 C ATOM 1848 C ALA B 107 15.330 24.570 57.948 1.00 7.73 C ATOM 1849 O ALA B 107 15.948 24.210 56.944 1.00 9.25 O ATOM 1850 CB ALA B 107 12.976 23.700 57.744 1.00 8.12 C ATOM 0 H ALA B 107 13.194 24.445 60.057 1.00 8.20 H new ATOM 0 HA ALA B 107 14.588 22.765 58.603 1.00 7.95 H new ATOM 0 HB1 ALA B 107 13.174 23.410 56.840 1.00 8.12 H new ATOM 0 HB2 ALA B 107 12.321 23.103 58.138 1.00 8.12 H new ATOM 0 HB3 ALA B 107 12.620 24.602 57.723 1.00 8.12 H new ATOM 1851 N TRP B 108 15.529 25.753 58.533 1.00 7.50 N ATOM 1852 CA TRP B 108 16.534 26.697 58.057 1.00 7.39 C ATOM 1853 C TRP B 108 17.703 26.669 59.037 1.00 6.99 C ATOM 1854 O TRP B 108 17.589 27.126 60.175 1.00 6.55 O ATOM 1855 CB TRP B 108 15.944 28.107 57.951 1.00 7.52 C ATOM 1856 CG TRP B 108 15.032 28.283 56.765 1.00 7.02 C ATOM 1857 CD1 TRP B 108 15.406 28.565 55.488 1.00 8.36 C ATOM 1858 CD2 TRP B 108 13.604 28.162 56.749 1.00 6.54 C ATOM 1859 NE1 TRP B 108 14.304 28.627 54.672 1.00 8.58 N ATOM 1860 CE2 TRP B 108 13.182 28.384 55.417 1.00 7.44 C ATOM 1861 CE3 TRP B 108 12.640 27.889 57.725 1.00 6.78 C ATOM 1862 CZ2 TRP B 108 11.833 28.339 55.036 1.00 7.06 C ATOM 1863 CZ3 TRP B 108 11.296 27.844 57.347 1.00 7.42 C ATOM 1864 CH2 TRP B 108 10.908 28.069 56.011 1.00 7.60 C ATOM 0 H TRP B 108 15.084 26.028 59.216 1.00 7.50 H new ATOM 0 HA TRP B 108 16.837 26.446 57.171 1.00 7.39 H new ATOM 0 HB2 TRP B 108 15.451 28.307 58.762 1.00 7.52 H new ATOM 0 HB3 TRP B 108 16.668 28.750 57.893 1.00 7.52 H new ATOM 0 HD1 TRP B 108 16.283 28.697 55.208 1.00 8.36 H new ATOM 0 HE1 TRP B 108 14.317 28.792 53.828 1.00 8.58 H new ATOM 0 HE3 TRP B 108 12.889 27.740 58.609 1.00 6.78 H new ATOM 0 HZ2 TRP B 108 11.576 28.487 54.155 1.00 7.06 H new ATOM 0 HZ3 TRP B 108 10.647 27.663 57.987 1.00 7.42 H new ATOM 0 HH2 TRP B 108 10.006 28.034 55.786 1.00 7.60 H new ATOM 1865 N VAL B 109 18.805 26.082 58.589 1.00 8.50 N ATOM 1866 CA VAL B 109 20.010 25.931 59.403 1.00 10.01 C ATOM 1867 C VAL B 109 20.577 27.245 59.950 1.00 10.23 C ATOM 1868 O VAL B 109 20.953 27.312 61.115 1.00 9.84 O ATOM 1869 CB VAL B 109 21.107 25.165 58.626 1.00 11.08 C ATOM 1870 CG1 VAL B 109 22.365 25.026 59.468 1.00 12.69 C ATOM 1871 CG2 VAL B 109 20.585 23.790 58.215 1.00 11.84 C ATOM 0 H VAL B 109 18.878 25.756 57.797 1.00 8.50 H new ATOM 0 HA VAL B 109 19.729 25.418 60.177 1.00 10.01 H new ATOM 0 HB VAL B 109 21.333 25.668 57.828 1.00 11.08 H new ATOM 0 HG11 VAL B 109 23.040 24.544 58.965 1.00 12.69 H new ATOM 0 HG12 VAL B 109 22.701 25.907 59.697 1.00 12.69 H new ATOM 0 HG13 VAL B 109 22.158 24.538 60.281 1.00 12.69 H new ATOM 0 HG21 VAL B 109 21.276 23.314 57.728 1.00 11.84 H new ATOM 0 HG22 VAL B 109 20.342 23.286 59.007 1.00 11.84 H new ATOM 0 HG23 VAL B 109 19.805 23.896 57.648 1.00 11.84 H new ATOM 1872 N ALA B 110 20.638 28.281 59.116 1.00 10.55 N ATOM 1873 CA ALA B 110 21.159 29.574 59.560 1.00 10.06 C ATOM 1874 C ALA B 110 20.261 30.180 60.640 1.00 8.88 C ATOM 1875 O ALA B 110 20.750 30.853 61.543 1.00 9.66 O ATOM 1876 CB ALA B 110 21.317 30.529 58.385 1.00 9.17 C ATOM 0 H ALA B 110 20.385 28.258 58.294 1.00 10.55 H new ATOM 0 HA ALA B 110 22.037 29.428 59.946 1.00 10.06 H new ATOM 0 HB1 ALA B 110 21.663 31.378 58.702 1.00 9.17 H new ATOM 0 HB2 ALA B 110 21.934 30.149 57.740 1.00 9.17 H new ATOM 0 HB3 ALA B 110 20.455 30.669 57.963 1.00 9.17 H new ATOM 1877 N TRP B 111 18.952 29.954 60.547 1.00 8.19 N ATOM 1878 CA TRP B 111 18.034 30.466 61.556 1.00 9.80 C ATOM 1879 C TRP B 111 18.323 29.741 62.877 1.00 11.72 C ATOM 1880 O TRP B 111 18.357 30.347 63.948 1.00 11.47 O ATOM 1881 CB TRP B 111 16.580 30.228 61.144 1.00 8.97 C ATOM 1882 CG TRP B 111 15.592 30.593 62.214 1.00 8.02 C ATOM 1883 CD1 TRP B 111 15.024 31.818 62.424 1.00 8.09 C ATOM 1884 CD2 TRP B 111 15.093 29.737 63.250 1.00 9.01 C ATOM 1885 NE1 TRP B 111 14.211 31.780 63.531 1.00 8.53 N ATOM 1886 CE2 TRP B 111 14.233 30.515 64.058 1.00 9.33 C ATOM 1887 CE3 TRP B 111 15.292 28.385 63.577 1.00 9.68 C ATOM 1888 CZ2 TRP B 111 13.571 29.989 65.175 1.00 10.31 C ATOM 1889 CZ3 TRP B 111 14.633 27.860 64.688 1.00 9.46 C ATOM 1890 CH2 TRP B 111 13.783 28.662 65.473 1.00 11.22 C ATOM 0 H TRP B 111 18.579 29.510 59.912 1.00 8.19 H new ATOM 0 HA TRP B 111 18.163 31.422 61.654 1.00 9.80 H new ATOM 0 HB2 TRP B 111 16.388 30.744 60.346 1.00 8.97 H new ATOM 0 HB3 TRP B 111 16.465 29.293 60.912 1.00 8.97 H new ATOM 0 HD1 TRP B 111 15.167 32.569 61.894 1.00 8.09 H new ATOM 0 HE1 TRP B 111 13.761 32.443 63.843 1.00 8.53 H new ATOM 0 HE3 TRP B 111 15.853 27.851 63.062 1.00 9.68 H new ATOM 0 HZ2 TRP B 111 13.009 30.517 65.696 1.00 10.31 H new ATOM 0 HZ3 TRP B 111 14.757 26.966 64.914 1.00 9.46 H new ATOM 0 HH2 TRP B 111 13.355 28.287 66.209 1.00 11.22 H new ATOM 1891 N ARG B 112 18.536 28.433 62.770 1.00 12.13 N ATOM 1892 CA ARG B 112 18.820 27.571 63.911 1.00 12.94 C ATOM 1893 C ARG B 112 20.100 27.997 64.627 1.00 11.77 C ATOM 1894 O ARG B 112 20.168 27.984 65.856 1.00 13.62 O ATOM 1895 CB ARG B 112 18.962 26.128 63.410 1.00 13.19 C ATOM 1896 CG ARG B 112 18.194 25.106 64.196 1.00 15.86 C ATOM 1897 CD ARG B 112 18.023 23.811 63.400 1.00 15.47 C ATOM 1898 NE ARG B 112 19.285 23.256 62.911 1.00 13.45 N ATOM 1899 CZ ARG B 112 19.395 22.488 61.827 1.00 13.63 C ATOM 1900 NH1 ARG B 112 18.324 22.182 61.104 1.00 12.03 N ATOM 1901 NH2 ARG B 112 20.576 21.999 61.482 1.00 13.65 N ATOM 0 H ARG B 112 18.519 28.015 62.019 1.00 12.13 H new ATOM 0 HA ARG B 112 18.090 27.641 64.546 1.00 12.94 H new ATOM 0 HB2 ARG B 112 18.671 26.091 62.485 1.00 13.19 H new ATOM 0 HB3 ARG B 112 19.901 25.887 63.422 1.00 13.19 H new ATOM 0 HG2 ARG B 112 18.657 24.919 65.028 1.00 15.86 H new ATOM 0 HG3 ARG B 112 17.323 25.462 64.430 1.00 15.86 H new ATOM 0 HD2 ARG B 112 17.583 23.152 63.959 1.00 15.47 H new ATOM 0 HD3 ARG B 112 17.438 23.979 62.645 1.00 15.47 H new ATOM 0 HE ARG B 112 20.002 23.437 63.351 1.00 13.45 H new ATOM 0 HH11 ARG B 112 17.551 22.480 61.334 1.00 12.03 H new ATOM 0 HH12 ARG B 112 18.404 21.686 60.406 1.00 12.03 H new ATOM 0 HH21 ARG B 112 21.270 22.177 61.957 1.00 13.65 H new ATOM 0 HH22 ARG B 112 20.649 21.503 60.783 1.00 13.65 H new ATOM 1902 N ASN B 113 21.103 28.382 63.844 1.00 11.63 N ATOM 1903 CA ASN B 113 22.404 28.791 64.364 1.00 12.37 C ATOM 1904 C ASN B 113 22.540 30.241 64.805 1.00 12.34 C ATOM 1905 O ASN B 113 23.263 30.528 65.754 1.00 12.56 O ATOM 1906 CB ASN B 113 23.499 28.532 63.323 1.00 13.61 C ATOM 1907 CG ASN B 113 23.659 27.063 62.988 1.00 12.93 C ATOM 1908 OD1 ASN B 113 23.235 26.194 63.747 1.00 16.16 O ATOM 1909 ND2 ASN B 113 24.271 26.782 61.845 1.00 13.64 N ATOM 0 H ASN B 113 21.047 28.413 62.986 1.00 11.63 H new ATOM 0 HA ASN B 113 22.498 28.251 65.164 1.00 12.37 H new ATOM 0 HB2 ASN B 113 23.291 29.023 62.513 1.00 13.61 H new ATOM 0 HB3 ASN B 113 24.343 28.877 63.655 1.00 13.61 H new ATOM 0 HD21 ASN B 113 24.385 25.963 61.608 1.00 13.64 H new ATOM 0 HD22 ASN B 113 24.554 27.419 61.341 1.00 13.64 H new ATOM 1910 N ARG B 114 21.856 31.151 64.114 1.00 11.13 N ATOM 1911 CA ARG B 114 21.986 32.583 64.398 1.00 11.03 C ATOM 1912 C ARG B 114 20.763 33.359 64.892 1.00 10.00 C ATOM 1913 O ARG B 114 20.904 34.516 65.295 1.00 12.34 O ATOM 1914 CB ARG B 114 22.525 33.286 63.144 1.00 10.55 C ATOM 1915 CG ARG B 114 23.747 32.640 62.503 1.00 12.51 C ATOM 1916 CD ARG B 114 25.002 32.868 63.333 1.00 15.94 C ATOM 1917 NE ARG B 114 25.349 34.286 63.430 1.00 19.22 N ATOM 1918 CZ ARG B 114 26.128 34.934 62.567 1.00 19.21 C ATOM 1919 NH1 ARG B 114 26.656 34.295 61.529 1.00 19.76 N ATOM 1920 NH2 ARG B 114 26.368 36.228 62.737 1.00 20.48 N ATOM 0 H ARG B 114 21.311 30.962 63.476 1.00 11.13 H new ATOM 0 HA ARG B 114 22.583 32.596 65.163 1.00 11.03 H new ATOM 0 HB2 ARG B 114 21.815 33.324 62.484 1.00 10.55 H new ATOM 0 HB3 ARG B 114 22.747 34.201 63.376 1.00 10.55 H new ATOM 0 HG2 ARG B 114 23.594 31.688 62.401 1.00 12.51 H new ATOM 0 HG3 ARG B 114 23.876 33.003 61.613 1.00 12.51 H new ATOM 0 HD2 ARG B 114 24.869 32.507 64.224 1.00 15.94 H new ATOM 0 HD3 ARG B 114 25.742 32.382 62.938 1.00 15.94 H new ATOM 0 HE ARG B 114 25.027 34.732 64.091 1.00 19.22 H new ATOM 0 HH11 ARG B 114 26.495 33.458 61.412 1.00 19.76 H new ATOM 0 HH12 ARG B 114 27.159 34.718 60.974 1.00 19.76 H new ATOM 0 HH21 ARG B 114 26.021 36.646 63.404 1.00 20.48 H new ATOM 0 HH22 ARG B 114 26.871 36.649 62.181 1.00 20.48 H new ATOM 1921 N CYS B 115 19.581 32.750 64.859 1.00 9.00 N ATOM 1922 CA CYS B 115 18.353 33.430 65.274 1.00 8.40 C ATOM 1923 C CYS B 115 17.657 32.793 66.463 1.00 9.09 C ATOM 1924 O CYS B 115 17.134 33.482 67.340 1.00 9.19 O ATOM 1925 CB CYS B 115 17.370 33.482 64.100 1.00 9.20 C ATOM 1926 SG CYS B 115 18.085 34.197 62.594 1.00 8.51 S ATOM 0 H CYS B 115 19.467 31.939 64.598 1.00 9.00 H new ATOM 0 HA CYS B 115 18.626 34.318 65.552 1.00 8.40 H new ATOM 0 HB2 CYS B 115 17.059 32.584 63.907 1.00 9.20 H new ATOM 0 HB3 CYS B 115 16.593 34.002 64.360 1.00 9.20 H new ATOM 1927 N LYS B 116 17.595 31.468 66.439 1.00 8.91 N ATOM 1928 CA LYS B 116 16.960 30.679 67.481 1.00 9.40 C ATOM 1929 C LYS B 116 17.489 31.054 68.859 1.00 7.40 C ATOM 1930 O LYS B 116 18.694 31.144 69.061 1.00 7.77 O ATOM 1931 CB LYS B 116 17.227 29.203 67.199 1.00 8.82 C ATOM 1932 CG LYS B 116 16.612 28.228 68.154 1.00 11.48 C ATOM 1933 CD LYS B 116 16.941 26.831 67.664 1.00 13.39 C ATOM 1934 CE LYS B 116 16.226 25.761 68.459 1.00 16.22 C ATOM 1935 NZ LYS B 116 16.512 24.408 67.884 1.00 16.05 N ATOM 0 H LYS B 116 17.928 30.994 65.803 1.00 8.91 H new ATOM 0 HA LYS B 116 16.006 30.856 67.478 1.00 9.40 H new ATOM 0 HB2 LYS B 116 16.906 29.000 66.306 1.00 8.82 H new ATOM 0 HB3 LYS B 116 18.187 29.062 67.194 1.00 8.82 H new ATOM 0 HG2 LYS B 116 16.958 28.365 69.050 1.00 11.48 H new ATOM 0 HG3 LYS B 116 15.651 28.355 68.199 1.00 11.48 H new ATOM 0 HD2 LYS B 116 16.697 26.753 66.728 1.00 13.39 H new ATOM 0 HD3 LYS B 116 17.899 26.688 67.721 1.00 13.39 H new ATOM 0 HE2 LYS B 116 16.512 25.793 69.385 1.00 16.22 H new ATOM 0 HE3 LYS B 116 15.270 25.927 68.451 1.00 16.22 H new ATOM 0 HZ1 LYS B 116 16.159 23.782 68.409 1.00 16.05 H new ATOM 0 HZ2 LYS B 116 16.155 24.349 67.071 1.00 16.05 H new ATOM 0 HZ3 LYS B 116 17.392 24.288 67.830 1.00 16.05 H new ATOM 1936 N GLY B 117 16.575 31.319 69.782 1.00 8.81 N ATOM 1937 CA GLY B 117 16.962 31.669 71.134 1.00 9.98 C ATOM 1938 C GLY B 117 17.326 33.127 71.365 1.00 11.46 C ATOM 1939 O GLY B 117 17.627 33.510 72.495 1.00 11.37 O ATOM 0 H GLY B 117 15.726 31.301 69.643 1.00 8.81 H new ATOM 0 HA2 GLY B 117 16.233 31.437 71.731 1.00 9.98 H new ATOM 0 HA3 GLY B 117 17.721 31.120 71.387 1.00 9.98 H new ATOM 1940 N THR B 118 17.303 33.942 70.313 1.00 11.53 N ATOM 1941 CA THR B 118 17.642 35.356 70.450 1.00 12.66 C ATOM 1942 C THR B 118 16.405 36.254 70.415 1.00 13.82 C ATOM 1943 O THR B 118 15.291 35.807 70.107 1.00 14.67 O ATOM 1944 CB THR B 118 18.592 35.826 69.335 1.00 11.19 C ATOM 1945 OG1 THR B 118 17.877 35.885 68.095 1.00 10.96 O ATOM 1946 CG2 THR B 118 19.762 34.874 69.187 1.00 12.72 C ATOM 0 H THR B 118 17.095 33.698 69.515 1.00 11.53 H new ATOM 0 HA THR B 118 18.077 35.433 71.314 1.00 12.66 H new ATOM 0 HB THR B 118 18.931 36.704 69.570 1.00 11.19 H new ATOM 0 HG1 THR B 118 17.497 35.149 67.955 1.00 10.96 H new ATOM 0 HG21 THR B 118 20.348 35.188 68.480 1.00 12.72 H new ATOM 0 HG22 THR B 118 20.255 34.835 70.021 1.00 12.72 H new ATOM 0 HG23 THR B 118 19.433 33.989 68.964 1.00 12.72 H new ATOM 1947 N ASP B 119 16.621 37.530 70.716 1.00 14.86 N ATOM 1948 CA ASP B 119 15.562 38.531 70.702 1.00 16.28 C ATOM 1949 C ASP B 119 15.419 38.946 69.230 1.00 15.31 C ATOM 1950 O ASP B 119 15.998 39.945 68.791 1.00 14.46 O ATOM 1951 CB ASP B 119 15.980 39.717 71.587 1.00 19.89 C ATOM 1952 CG ASP B 119 14.911 40.795 71.698 1.00 23.49 C ATOM 1953 OD1 ASP B 119 13.735 40.542 71.340 1.00 23.08 O ATOM 1954 OD2 ASP B 119 15.266 41.905 72.166 1.00 26.13 O ATOM 0 H ASP B 119 17.392 37.841 70.936 1.00 14.86 H new ATOM 0 HA ASP B 119 14.719 38.201 71.050 1.00 16.28 H new ATOM 0 HB2 ASP B 119 16.193 39.390 72.475 1.00 19.89 H new ATOM 0 HB3 ASP B 119 16.790 40.110 71.227 1.00 19.89 H new ATOM 1955 N VAL B 120 14.682 38.141 68.466 1.00 13.74 N ATOM 1956 CA VAL B 120 14.483 38.398 67.043 1.00 12.89 C ATOM 1957 C VAL B 120 13.700 39.669 66.721 1.00 13.03 C ATOM 1958 O VAL B 120 13.720 40.129 65.580 1.00 12.55 O ATOM 1959 CB VAL B 120 13.844 37.186 66.319 1.00 12.09 C ATOM 1960 CG1 VAL B 120 14.838 36.032 66.254 1.00 11.98 C ATOM 1961 CG2 VAL B 120 12.572 36.760 67.021 1.00 12.91 C ATOM 0 H VAL B 120 14.286 37.435 68.757 1.00 13.74 H new ATOM 0 HA VAL B 120 15.381 38.541 66.705 1.00 12.89 H new ATOM 0 HB VAL B 120 13.615 37.447 65.413 1.00 12.09 H new ATOM 0 HG11 VAL B 120 14.430 35.278 65.800 1.00 11.98 H new ATOM 0 HG12 VAL B 120 15.629 36.313 65.767 1.00 11.98 H new ATOM 0 HG13 VAL B 120 15.089 35.770 67.154 1.00 11.98 H new ATOM 0 HG21 VAL B 120 12.184 36.002 66.557 1.00 12.91 H new ATOM 0 HG22 VAL B 120 12.775 36.509 67.936 1.00 12.91 H new ATOM 0 HG23 VAL B 120 11.940 37.496 67.021 1.00 12.91 H new ATOM 1962 N GLN B 121 13.026 40.241 67.718 1.00 12.69 N ATOM 1963 CA GLN B 121 12.270 41.479 67.507 1.00 14.27 C ATOM 1964 C GLN B 121 13.233 42.604 67.133 1.00 12.18 C ATOM 1965 O GLN B 121 12.828 43.599 66.538 1.00 12.54 O ATOM 1966 CB GLN B 121 11.462 41.860 68.755 1.00 16.80 C ATOM 1967 CG GLN B 121 10.781 43.247 68.704 1.00 23.56 C ATOM 1968 CD GLN B 121 9.496 43.297 67.874 1.00 25.71 C ATOM 1969 OE1 GLN B 121 9.552 42.790 66.647 1.00 29.14 O flip ATOM 1970 NE2 GLN B 121 8.472 43.809 68.333 1.00 28.07 N flip ATOM 0 H GLN B 121 12.993 39.932 68.520 1.00 12.69 H new ATOM 0 HA GLN B 121 11.640 41.336 66.783 1.00 14.27 H new ATOM 0 HB2 GLN B 121 10.779 41.186 68.898 1.00 16.80 H new ATOM 0 HB3 GLN B 121 12.052 41.834 69.524 1.00 16.80 H new ATOM 0 HG2 GLN B 121 10.578 43.528 69.610 1.00 23.56 H new ATOM 0 HG3 GLN B 121 11.411 43.890 68.342 1.00 23.56 H new ATOM 0 HE21 GLN B 121 8.471 44.128 69.132 1.00 28.07 H new ATOM 0 HE22 GLN B 121 7.759 43.847 67.854 1.00 28.07 H new ATOM 1971 N ALA B 122 14.510 42.433 67.463 1.00 10.68 N ATOM 1972 CA ALA B 122 15.519 43.434 67.133 1.00 10.73 C ATOM 1973 C ALA B 122 15.611 43.651 65.617 1.00 11.20 C ATOM 1974 O ALA B 122 15.915 44.753 65.163 1.00 10.38 O ATOM 1975 CB ALA B 122 16.877 43.024 67.695 1.00 12.06 C ATOM 0 H ALA B 122 14.813 41.744 67.879 1.00 10.68 H new ATOM 0 HA ALA B 122 15.252 44.273 67.539 1.00 10.73 H new ATOM 0 HB1 ALA B 122 17.538 43.697 67.469 1.00 12.06 H new ATOM 0 HB2 ALA B 122 16.817 42.942 68.660 1.00 12.06 H new ATOM 0 HB3 ALA B 122 17.141 42.172 67.314 1.00 12.06 H new ATOM 1976 N TRP B 123 15.328 42.600 64.843 1.00 9.67 N ATOM 1977 CA TRP B 123 15.379 42.671 63.381 1.00 10.27 C ATOM 1978 C TRP B 123 14.280 43.546 62.788 1.00 10.14 C ATOM 1979 O TRP B 123 14.339 43.923 61.613 1.00 10.87 O ATOM 1980 CB TRP B 123 15.345 41.264 62.777 1.00 9.22 C ATOM 1981 CG TRP B 123 16.616 40.549 63.044 1.00 8.02 C ATOM 1982 CD1 TRP B 123 16.858 39.645 64.043 1.00 9.22 C ATOM 1983 CD2 TRP B 123 17.864 40.768 62.387 1.00 9.29 C ATOM 1984 NE1 TRP B 123 18.186 39.303 64.056 1.00 9.53 N ATOM 1985 CE2 TRP B 123 18.829 39.977 63.051 1.00 10.51 C ATOM 1986 CE3 TRP B 123 18.266 41.569 61.307 1.00 10.14 C ATOM 1987 CZ2 TRP B 123 20.175 39.963 62.670 1.00 11.26 C ATOM 1988 CZ3 TRP B 123 19.608 41.557 60.929 1.00 11.72 C ATOM 1989 CH2 TRP B 123 20.546 40.759 61.612 1.00 13.20 C ATOM 0 H TRP B 123 15.102 41.829 65.150 1.00 9.67 H new ATOM 0 HA TRP B 123 16.219 43.096 63.149 1.00 10.27 H new ATOM 0 HB2 TRP B 123 14.603 40.764 63.151 1.00 9.22 H new ATOM 0 HB3 TRP B 123 15.195 41.321 61.820 1.00 9.22 H new ATOM 0 HD1 TRP B 123 16.216 39.312 64.627 1.00 9.22 H new ATOM 0 HE1 TRP B 123 18.555 38.754 64.606 1.00 9.53 H new ATOM 0 HE3 TRP B 123 17.650 42.097 60.853 1.00 10.14 H new ATOM 0 HZ2 TRP B 123 20.797 39.434 63.116 1.00 11.26 H new ATOM 0 HZ3 TRP B 123 19.888 42.084 60.215 1.00 11.72 H new ATOM 0 HH2 TRP B 123 21.436 40.771 61.342 1.00 13.20 H new ATOM 1990 N ILE B 124 13.295 43.872 63.619 1.00 10.80 N ATOM 1991 CA ILE B 124 12.170 44.716 63.233 1.00 13.58 C ATOM 1992 C ILE B 124 12.317 46.093 63.905 1.00 13.47 C ATOM 1993 O ILE B 124 11.483 46.981 63.719 1.00 13.86 O ATOM 1994 CB ILE B 124 10.815 44.041 63.637 1.00 15.85 C ATOM 1995 CG1 ILE B 124 10.678 42.695 62.921 1.00 19.29 C ATOM 1996 CG2 ILE B 124 9.624 44.896 63.255 1.00 19.45 C ATOM 1997 CD1 ILE B 124 10.822 42.791 61.416 1.00 16.91 C ATOM 0 H ILE B 124 13.261 43.605 64.436 1.00 10.80 H new ATOM 0 HA ILE B 124 12.168 44.831 62.270 1.00 13.58 H new ATOM 0 HB ILE B 124 10.826 43.927 64.600 1.00 15.85 H new ATOM 0 HG12 ILE B 124 11.349 42.085 63.264 1.00 19.29 H new ATOM 0 HG13 ILE B 124 9.812 42.312 63.132 1.00 19.29 H new ATOM 0 HG21 ILE B 124 8.805 44.448 63.520 1.00 19.45 H new ATOM 0 HG22 ILE B 124 9.683 45.753 63.705 1.00 19.45 H new ATOM 0 HG23 ILE B 124 9.620 45.035 62.295 1.00 19.45 H new ATOM 0 HD11 ILE B 124 10.726 41.909 61.025 1.00 16.91 H new ATOM 0 HD12 ILE B 124 10.136 43.378 61.062 1.00 16.91 H new ATOM 0 HD13 ILE B 124 11.697 43.148 61.197 1.00 16.91 H new ATOM 1998 N ARG B 125 13.398 46.276 64.656 1.00 12.13 N ATOM 1999 CA ARG B 125 13.634 47.540 65.348 1.00 12.12 C ATOM 2000 C ARG B 125 13.847 48.689 64.371 1.00 12.15 C ATOM 2001 O ARG B 125 14.661 48.595 63.450 1.00 12.24 O ATOM 2002 CB ARG B 125 14.837 47.428 66.274 1.00 11.88 C ATOM 2003 CG ARG B 125 15.135 48.698 67.024 1.00 12.62 C ATOM 2004 CD ARG B 125 16.337 48.528 67.910 1.00 13.30 C ATOM 2005 NE ARG B 125 17.566 48.316 67.156 1.00 14.60 N ATOM 2006 CZ ARG B 125 18.453 47.367 67.432 1.00 15.76 C ATOM 2007 NH1 ARG B 125 18.240 46.531 68.445 1.00 17.17 N ATOM 2008 NH2 ARG B 125 19.566 47.275 66.719 1.00 16.95 N ATOM 0 H ARG B 125 14.007 45.682 64.778 1.00 12.13 H new ATOM 0 HA ARG B 125 12.840 47.731 65.872 1.00 12.12 H new ATOM 0 HB2 ARG B 125 14.681 46.713 66.911 1.00 11.88 H new ATOM 0 HB3 ARG B 125 15.616 47.178 65.753 1.00 11.88 H new ATOM 0 HG2 ARG B 125 15.291 49.420 66.396 1.00 12.62 H new ATOM 0 HG3 ARG B 125 14.367 48.950 67.560 1.00 12.62 H new ATOM 0 HD2 ARG B 125 16.436 49.315 68.469 1.00 13.30 H new ATOM 0 HD3 ARG B 125 16.192 47.775 68.504 1.00 13.30 H new ATOM 0 HE ARG B 125 17.727 48.838 66.491 1.00 14.60 H new ATOM 0 HH11 ARG B 125 17.528 46.605 68.921 1.00 17.17 H new ATOM 0 HH12 ARG B 125 18.815 45.917 68.623 1.00 17.17 H new ATOM 0 HH21 ARG B 125 19.713 47.829 66.078 1.00 16.95 H new ATOM 0 HH22 ARG B 125 20.141 46.661 66.897 1.00 16.95 H new ATOM 2009 N GLY B 126 13.095 49.767 64.573 1.00 13.46 N ATOM 2010 CA GLY B 126 13.206 50.934 63.720 1.00 13.74 C ATOM 2011 C GLY B 126 12.319 50.921 62.488 1.00 15.09 C ATOM 2012 O GLY B 126 12.169 51.955 61.838 1.00 15.15 O ATOM 0 H GLY B 126 12.513 49.838 65.202 1.00 13.46 H new ATOM 0 HA2 GLY B 126 12.994 51.722 64.245 1.00 13.74 H new ATOM 0 HA3 GLY B 126 14.129 51.022 63.435 1.00 13.74 H new ATOM 2013 N CYS B 127 11.734 49.766 62.161 1.00 14.40 N ATOM 2014 CA CYS B 127 10.866 49.645 60.992 1.00 13.78 C ATOM 2015 C CYS B 127 9.509 50.295 61.211 1.00 14.89 C ATOM 2016 O CYS B 127 8.930 50.854 60.276 1.00 14.63 O ATOM 2017 CB CYS B 127 10.664 48.177 60.609 1.00 12.95 C ATOM 2018 SG CYS B 127 12.195 47.250 60.281 1.00 11.25 S ATOM 0 H CYS B 127 11.829 49.038 62.608 1.00 14.40 H new ATOM 0 HA CYS B 127 11.314 50.112 60.270 1.00 13.78 H new ATOM 0 HB2 CYS B 127 10.180 47.734 61.324 1.00 12.95 H new ATOM 0 HB3 CYS B 127 10.102 48.137 59.819 1.00 12.95 H new ATOM 2019 N ARG B 128 8.997 50.174 62.436 1.00 15.45 N ATOM 2020 CA ARG B 128 7.706 50.737 62.838 1.00 19.01 C ATOM 2021 C ARG B 128 6.645 50.606 61.746 1.00 20.85 C ATOM 2022 O ARG B 128 6.070 51.597 61.290 1.00 20.48 O ATOM 2023 CB ARG B 128 7.877 52.199 63.275 1.00 19.99 C ATOM 2024 CG ARG B 128 8.950 52.387 64.350 1.00 20.88 C ATOM 2025 CD ARG B 128 8.672 53.592 65.252 1.00 24.48 C ATOM 2026 NE ARG B 128 7.534 53.376 66.147 1.00 25.27 N ATOM 2027 CZ ARG B 128 7.294 54.091 67.246 1.00 25.40 C ATOM 2028 NH1 ARG B 128 8.109 55.078 67.594 1.00 24.97 N ATOM 2029 NH2 ARG B 128 6.244 53.812 68.008 1.00 24.91 N ATOM 0 H ARG B 128 9.398 49.754 63.070 1.00 15.45 H new ATOM 0 HA ARG B 128 7.386 50.220 63.594 1.00 19.01 H new ATOM 0 HB2 ARG B 128 8.106 52.737 62.501 1.00 19.99 H new ATOM 0 HB3 ARG B 128 7.030 52.531 63.611 1.00 19.99 H new ATOM 0 HG2 ARG B 128 9.003 51.585 64.894 1.00 20.88 H new ATOM 0 HG3 ARG B 128 9.814 52.498 63.924 1.00 20.88 H new ATOM 0 HD2 ARG B 128 9.462 53.785 65.780 1.00 24.48 H new ATOM 0 HD3 ARG B 128 8.502 54.372 64.701 1.00 24.48 H new ATOM 0 HE ARG B 128 6.983 52.745 65.951 1.00 25.27 H new ATOM 0 HH11 ARG B 128 8.796 55.259 67.110 1.00 24.97 H new ATOM 0 HH12 ARG B 128 7.950 55.537 68.304 1.00 24.97 H new ATOM 0 HH21 ARG B 128 5.716 53.168 67.793 1.00 24.91 H new ATOM 0 HH22 ARG B 128 6.092 54.275 68.717 1.00 24.91 H new ATOM 2030 N LEU B 129 6.417 49.363 61.322 1.00 22.95 N ATOM 2031 CA LEU B 129 5.453 49.034 60.272 1.00 24.72 C ATOM 2032 C LEU B 129 4.013 49.140 60.756 1.00 26.77 C ATOM 2033 O LEU B 129 3.708 48.592 61.839 1.00 28.59 O ATOM 2034 CB LEU B 129 5.714 47.617 59.743 1.00 23.74 C ATOM 2035 CG LEU B 129 7.131 47.310 59.250 1.00 23.38 C ATOM 2036 CD1 LEU B 129 7.277 45.826 58.984 1.00 22.59 C ATOM 2037 CD2 LEU B 129 7.451 48.124 58.009 1.00 23.22 C ATOM 2038 OXT LEU B 129 3.199 49.755 60.032 1.00 29.98 O ATOM 0 H LEU B 129 6.825 48.677 61.642 1.00 22.95 H new ATOM 0 HA LEU B 129 5.573 49.682 59.560 1.00 24.72 H new ATOM 0 HB2 LEU B 129 5.497 46.987 60.448 1.00 23.74 H new ATOM 0 HB3 LEU B 129 5.098 47.449 59.013 1.00 23.74 H new ATOM 0 HG LEU B 129 7.766 47.560 59.939 1.00 23.38 H new ATOM 0 HD11 LEU B 129 8.177 45.640 58.672 1.00 22.59 H new ATOM 0 HD12 LEU B 129 7.110 45.332 59.802 1.00 22.59 H new ATOM 0 HD13 LEU B 129 6.638 45.554 58.307 1.00 22.59 H new ATOM 0 HD21 LEU B 129 8.351 47.918 57.710 1.00 23.22 H new ATOM 0 HD22 LEU B 129 6.819 47.905 57.306 1.00 23.22 H new ATOM 0 HD23 LEU B 129 7.388 49.069 58.217 1.00 23.22 H new TER 2039 LEU B 129 HETATM 2040 NA A NA A 150 -0.468 20.939 12.511 0.84 29.94 NA HETATM 2041 N NO3 A 801 -7.145 24.547 8.116 1.00 25.59 N HETATM 2042 O1 NO3 A 801 -5.753 24.573 8.227 1.00 25.58 O HETATM 2043 O2 NO3 A 801 -7.936 24.370 9.248 1.00 25.72 O HETATM 2044 O3 NO3 A 801 -7.746 24.699 6.863 1.00 26.90 O HETATM 2045 N NO3 A 802 -0.598 44.674 12.746 1.00 31.65 N HETATM 2046 O1 NO3 A 802 -1.165 43.440 12.417 1.00 32.54 O HETATM 2047 O2 NO3 A 802 -1.393 45.680 13.290 1.00 31.16 O HETATM 2048 O3 NO3 A 802 0.749 44.886 12.525 1.00 31.46 O HETATM 2049 N NO3 A 803 -8.906 41.796 20.189 0.84 33.00 N HETATM 2050 O1 NO3 A 803 -9.915 40.841 20.049 0.84 34.27 O HETATM 2051 O2 NO3 A 803 -9.079 42.863 21.094 0.84 32.06 O HETATM 2052 O3 NO3 A 803 -7.744 41.692 19.434 0.84 32.59 O HETATM 2053 NA A NA B 150 12.966 19.054 43.217 0.58 20.20 NA HETATM 2054 NA B NA B 150 12.222 18.902 43.618 0.40 23.12 NA HETATM 2055 N NO3 B 801 7.401 23.697 37.814 1.00 12.65 N HETATM 2056 O1 NO3 B 801 8.699 23.208 37.862 1.00 15.00 O HETATM 2057 O2 NO3 B 801 6.576 23.627 38.921 1.00 13.89 O HETATM 2058 O3 NO3 B 801 6.927 24.255 36.638 1.00 15.81 O HETATM 2059 N NO3 B 802 11.510 51.558 67.218 1.00 22.18 N HETATM 2060 O1 NO3 B 802 12.678 52.046 66.638 1.00 22.97 O HETATM 2061 O2 NO3 B 802 10.905 52.255 68.254 1.00 24.71 O HETATM 2062 O3 NO3 B 802 10.942 50.371 66.766 1.00 23.25 O HETATM 2063 N NO3 B 803 15.352 26.116 37.396 1.00 22.30 N HETATM 2064 O1 NO3 B 803 15.524 25.688 36.077 1.00 25.67 O HETATM 2065 O2 NO3 B 803 16.463 26.318 38.214 1.00 24.52 O HETATM 2066 O3 NO3 B 803 14.072 26.338 37.885 1.00 22.06 O HETATM 2067 N NO3 B 804 7.980 41.176 46.905 1.00 30.88 N HETATM 2068 O1 NO3 B 804 9.321 41.187 46.523 1.00 31.12 O HETATM 2069 O2 NO3 B 804 7.463 42.225 47.661 1.00 32.99 O HETATM 2070 O3 NO3 B 804 7.153 40.114 46.529 1.00 32.36 O HETATM 2071 N NO3 B 805 27.015 17.397 43.413 0.93 37.30 N HETATM 2072 O1 NO3 B 805 26.293 16.285 43.840 0.93 37.14 O HETATM 2073 O2 NO3 B 805 26.360 18.418 42.702 0.93 37.32 O HETATM 2074 O3 NO3 B 805 28.393 17.492 43.698 0.93 35.93 O HETATM 2075 O HOH A2001 3.267 43.635 15.043 1.00 24.61 O HETATM 2076 O HOH A2002 3.416 46.818 24.287 1.00 22.69 O HETATM 2077 O HOH A2003 -16.799 31.995 29.369 1.00 31.05 O HETATM 2078 O HOH A2004 -8.017 48.230 20.070 1.00 39.84 O HETATM 2079 O HOH A2005 -1.695 48.798 20.036 1.00 34.09 O HETATM 2080 O HOH A2006 -12.915 44.201 29.132 1.00 33.20 O HETATM 2081 O HOH A2007 -1.866 29.705 38.906 1.00 38.81 O HETATM 2082 O HOH A2008 -12.803 37.238 31.352 1.00 16.56 O HETATM 2083 O HOH A2009 10.729 42.741 27.571 1.00 38.81 O HETATM 2084 O HOH A2010 -8.656 46.130 24.077 1.00 46.20 O HETATM 2085 O HOH A2011 -12.402 47.631 22.180 1.00 41.40 O HETATM 2086 O HOH A2012 9.802 30.977 26.002 1.00 41.78 O HETATM 2087 O HOH A2013 -14.613 32.073 31.413 1.00 32.97 O HETATM 2088 O HOH A2014 14.175 31.083 13.117 1.00 37.91 O HETATM 2089 O HOH A2015 -14.079 34.659 32.487 1.00 32.34 O HETATM 2090 O HOH A2016 1.901 29.775 8.073 0.40 23.46 O HETATM 2091 O HOH A2017 2.090 32.244 8.189 0.58 20.33 O HETATM 2092 O HOH A2018 -15.200 26.934 27.335 1.00 30.42 O HETATM 2093 O HOH A2019 -13.097 24.264 30.081 1.00 49.05 O HETATM 2094 O HOH A2020 -5.944 26.394 38.102 1.00 51.24 O HETATM 2095 O HOH A2021 -13.541 28.046 33.660 1.00 28.25 O HETATM 2096 O HOH A2022 -5.270 31.981 39.090 1.00 13.50 O HETATM 2097 O HOH A2023 -0.787 25.529 37.070 1.00 26.24 O HETATM 2098 O HOH A2024 -3.856 35.763 40.728 1.00 27.93 O HETATM 2099 O HOH A2025 1.473 17.563 5.083 1.00 25.97 O HETATM 2100 O HOH A2026 -4.107 18.610 9.541 1.00 41.79 O HETATM 2101 O HOH A2027 -5.014 38.735 38.133 1.00 21.76 O HETATM 2102 O HOH A2028 0.824 31.693 38.628 1.00 16.43 O HETATM 2103 O HOH A2029 -0.243 29.829 4.749 1.00 38.97 O HETATM 2104 O HOH A2030 -7.569 42.110 11.152 1.00 47.63 O HETATM 2105 O HOH A2031 -6.269 38.449 9.728 1.00 38.05 O HETATM 2106 O HOH A2032 9.355 39.784 27.118 1.00 34.16 O HETATM 2107 O HOH A2033 4.555 45.722 29.387 1.00 28.66 O HETATM 2108 O HOH A2034 -13.170 25.138 24.518 1.00 34.56 O HETATM 2109 O HOH A2035 7.318 28.961 23.588 1.00 40.20 O HETATM 2110 O HOH A2036 8.347 36.252 20.808 1.00 43.60 O HETATM 2111 O HOH A2037 9.501 32.812 23.452 1.00 52.20 O HETATM 2112 O HOH A2038 7.887 39.809 19.620 1.00 31.38 O HETATM 2113 O HOH A2039 6.744 43.720 20.825 1.00 24.84 O HETATM 2114 O HOH A2040 5.741 45.098 24.029 1.00 24.08 O HETATM 2115 O HOH A2041 3.935 20.215 33.419 1.00 35.35 O HETATM 2116 O HOH A2042 4.962 36.388 11.418 1.00 34.07 O HETATM 2117 O HOH A2043 11.846 32.877 13.363 1.00 45.73 O HETATM 2118 O HOH A2044 8.945 36.938 15.781 1.00 39.32 O HETATM 2119 O HOH A2045 13.134 32.191 16.177 1.00 35.12 O HETATM 2120 O HOH A2046 7.934 31.783 10.108 1.00 34.22 O HETATM 2121 O HOH A2047 14.665 27.876 17.813 1.00 51.90 O HETATM 2122 O HOH A2048 13.465 18.844 12.268 1.00 60.51 O HETATM 2123 O HOH A2049 10.002 16.065 15.604 1.00 38.46 O HETATM 2124 O HOH A2050 6.231 20.190 18.854 1.00 40.42 O HETATM 2125 O HOH A2051 6.862 24.837 10.885 1.00 17.25 O HETATM 2126 O HOH A2052 5.705 25.355 21.773 1.00 30.01 O HETATM 2127 O HOH A2053 3.481 29.373 8.047 0.58 42.89 O HETATM 2128 O HOH A2054 7.926 30.353 21.255 1.00 17.97 O HETATM 2129 O HOH A2055 8.787 33.847 19.419 1.00 37.06 O HETATM 2130 O HOH A2056 3.875 27.498 23.054 1.00 28.62 O HETATM 2131 O HOH A2057 1.031 25.278 21.775 1.00 15.93 O HETATM 2132 O HOH A2058 1.128 22.249 10.836 1.00 13.85 O HETATM 2133 O HOH A2059 0.807 22.041 23.547 1.00 33.78 O HETATM 2134 O HOH A2060 -1.059 23.697 3.874 1.00 43.69 O HETATM 2135 O HOH A2061 7.082 28.561 9.798 1.00 33.77 O HETATM 2136 O HOH A2062 0.971 15.499 15.848 1.00 28.22 O HETATM 2137 O HOH A2063 1.880 20.628 8.546 1.00 16.93 O HETATM 2138 O HOH A2064 1.224 17.102 8.268 1.00 33.20 O HETATM 2139 O HOH A2065 -1.759 20.275 10.749 1.00 28.84 O HETATM 2140 O HOH A2066 -4.817 14.498 17.878 1.00 30.95 O HETATM 2141 O HOH A2067 -12.204 26.473 15.041 1.00 36.17 O HETATM 2142 O HOH A2068 -10.239 26.627 17.619 1.00 31.72 O HETATM 2143 O HOH A2069 -11.923 27.312 12.337 1.00 51.39 O HETATM 2144 O HOH A2070 -4.154 34.637 7.682 1.00 31.14 O HETATM 2145 O HOH A2071 -0.722 28.883 7.874 1.00 20.92 O HETATM 2146 O HOH A2072 -7.614 35.319 13.082 1.00 18.33 O HETATM 2147 O HOH A2073 -1.448 36.548 17.550 1.00 14.81 O HETATM 2148 O HOH A2074 -1.088 37.971 9.621 1.00 37.52 O HETATM 2149 O HOH A2075 -4.014 37.515 17.581 1.00 19.05 O HETATM 2150 O HOH A2076 -5.061 41.148 10.933 1.00 33.93 O HETATM 2151 O HOH A2077 -9.215 29.259 16.945 1.00 16.33 O HETATM 2152 O HOH A2078 -8.786 36.242 15.637 1.00 26.02 O HETATM 2153 O HOH A2079 -1.274 32.743 19.542 1.00 10.03 O HETATM 2154 O HOH A2080 -5.411 35.186 16.692 1.00 15.85 O HETATM 2155 O HOH A2081 -13.154 34.202 22.439 1.00 30.35 O HETATM 2156 O HOH A2082 -12.342 26.986 22.299 1.00 21.37 O HETATM 2157 O HOH A2083 -15.019 30.742 23.268 1.00 37.24 O HETATM 2158 O HOH A2084 -8.787 20.347 25.398 1.00 28.38 O HETATM 2159 O HOH A2085 -2.705 22.032 29.257 1.00 12.23 O HETATM 2160 O HOH A2086 -5.503 21.141 31.983 1.00 12.58 O HETATM 2161 O HOH A2087 -8.081 16.908 30.153 1.00 43.95 O HETATM 2162 O HOH A2088 -5.537 15.264 26.411 1.00 22.70 O HETATM 2163 O HOH A2089 -0.975 19.898 24.964 1.00 22.94 O HETATM 2164 O HOH A2090 -4.455 15.843 33.200 1.00 25.90 O HETATM 2165 O HOH A2091 -0.829 21.051 27.426 1.00 28.31 O HETATM 2166 O HOH A2092 -1.771 22.108 35.833 1.00 29.18 O HETATM 2167 O HOH A2093 1.807 18.342 33.541 1.00 17.66 O HETATM 2168 O HOH A2094 0.956 23.403 37.987 1.00 26.07 O HETATM 2169 O HOH A2095 0.232 20.002 35.451 1.00 25.65 O HETATM 2170 O HOH A2096 0.772 25.911 24.552 1.00 32.40 O HETATM 2171 O HOH A2097 5.754 26.691 24.917 1.00 52.59 O HETATM 2172 O HOH A2098 13.502 31.345 34.432 1.00 33.09 O HETATM 2173 O HOH A2099 11.607 29.643 28.063 1.00 42.42 O HETATM 2174 O HOH A2100 12.130 25.131 30.637 1.00 34.37 O HETATM 2175 O HOH A2101 10.030 33.683 37.968 1.00 31.57 O HETATM 2176 O HOH A2102 11.645 41.148 31.327 1.00 49.87 O HETATM 2177 O HOH A2103 7.765 38.083 36.306 1.00 37.37 O HETATM 2178 O HOH A2104 10.430 34.759 28.042 1.00 22.58 O HETATM 2179 O HOH A2105 4.123 20.897 36.972 1.00 48.11 O HETATM 2180 O HOH A2106 7.939 30.941 37.415 1.00 15.74 O HETATM 2181 O HOH A2107 5.037 38.266 37.431 1.00 21.45 O HETATM 2182 O HOH A2108 0.889 32.853 41.358 1.00 28.52 O HETATM 2183 O HOH A2109 5.574 40.406 39.673 1.00 41.02 O HETATM 2184 O HOH A2110 4.648 42.545 42.531 1.00 42.13 O HETATM 2185 O HOH A2111 -0.877 37.495 41.967 1.00 30.48 O HETATM 2186 O HOH A2112 0.630 38.628 46.161 1.00 40.22 O HETATM 2187 O HOH A2113 1.341 46.059 41.637 1.00 36.12 O HETATM 2188 O HOH A2114 3.099 44.921 35.234 1.00 30.80 O HETATM 2189 O HOH A2115 -2.982 52.279 32.342 1.00 34.67 O HETATM 2190 O HOH A2116 -7.006 46.716 37.501 1.00 38.02 O HETATM 2191 O HOH A2117 -4.730 52.009 29.804 1.00 24.09 O HETATM 2192 O HOH A2118 -6.936 50.521 30.933 1.00 27.55 O HETATM 2193 O HOH A2119 -7.390 22.094 5.642 1.00 39.28 O HETATM 2194 O HOH A2120 -1.230 41.141 13.181 1.00 24.78 O HETATM 2195 O HOH A2121 -3.945 46.640 13.694 1.00 43.57 O HETATM 2196 O HOH B2001 13.902 47.896 44.482 1.00 39.59 O HETATM 2197 O HOH B2002 21.089 40.420 43.696 1.00 24.78 O HETATM 2198 O HOH B2003 17.661 41.966 41.028 1.00 48.71 O HETATM 2199 O HOH B2004 18.300 44.318 41.654 1.00 69.96 O HETATM 2200 O HOH B2005 17.244 47.445 47.364 1.00 33.74 O HETATM 2201 O HOH B2006 19.466 45.835 45.321 1.00 29.53 O HETATM 2202 O HOH B2007 20.781 44.529 57.998 1.00 26.36 O HETATM 2203 O HOH B2008 21.392 44.944 61.200 1.00 45.23 O HETATM 2204 O HOH B2009 20.881 44.922 53.029 1.00 29.43 O HETATM 2205 O HOH B2010 9.660 49.700 52.045 1.00 39.84 O HETATM 2206 O HOH B2011 7.118 49.818 54.835 1.00 53.88 O HETATM 2207 O HOH B2012 19.539 46.886 55.570 1.00 30.78 O HETATM 2208 O HOH B2013 20.047 47.135 59.526 1.00 33.57 O HETATM 2209 O HOH B2014 0.849 44.916 55.583 1.00 44.83 O HETATM 2210 O HOH B2015 0.791 36.783 49.695 1.00 38.01 O HETATM 2211 O HOH B2016 9.977 49.541 55.054 1.00 32.18 O HETATM 2212 O HOH B2017 16.188 49.621 49.770 1.00 36.32 O HETATM 2213 O HOH B2018 14.741 49.120 54.083 1.00 19.97 O HETATM 2214 O HOH B2019 8.915 46.511 50.709 1.00 17.71 O HETATM 2215 O HOH B2020 -0.084 35.128 67.296 1.00 37.58 O HETATM 2216 O HOH B2021 2.817 33.047 69.057 0.40 18.12 O HETATM 2217 O HOH B2022 3.796 45.689 55.423 1.00 24.30 O HETATM 2218 O HOH B2023 -0.933 41.534 55.741 1.00 26.54 O HETATM 2219 O HOH B2024 1.873 39.435 58.109 1.00 17.24 O HETATM 2220 O HOH B2025 -0.301 46.777 60.168 1.00 39.57 O HETATM 2221 O HOH B2026 26.433 38.394 57.884 1.00 33.78 O HETATM 2222 O HOH B2027 0.258 39.772 49.607 1.00 41.16 O HETATM 2223 O HOH B2028 4.169 40.865 45.455 1.00 27.82 O HETATM 2224 O HOH B2029 5.496 46.196 50.808 1.00 21.11 O HETATM 2225 O HOH B2030 23.575 28.173 56.323 1.00 40.81 O HETATM 2226 O HOH B2031 19.069 41.113 36.500 1.00 38.56 O HETATM 2227 O HOH B2032 -1.080 35.446 58.101 1.00 38.86 O HETATM 2228 O HOH B2033 -0.388 39.108 61.958 1.00 44.83 O HETATM 2229 O HOH B2034 4.601 35.305 67.638 1.00 43.81 O HETATM 2230 O HOH B2035 -0.028 32.794 65.461 1.00 23.81 O HETATM 2231 O HOH B2036 -1.172 30.974 60.959 1.00 29.86 O HETATM 2232 O HOH B2037 7.644 33.927 67.269 1.00 14.63 O HETATM 2233 O HOH B2038 11.224 26.384 66.678 1.00 27.18 O HETATM 2234 O HOH B2039 9.166 37.216 68.940 1.00 48.90 O HETATM 2235 O HOH B2040 14.039 33.010 67.519 1.00 32.78 O HETATM 2236 O HOH B2041 11.033 33.228 68.042 1.00 45.56 O HETATM 2237 O HOH B2042 24.858 36.778 55.934 1.00 18.84 O HETATM 2238 O HOH B2043 24.217 30.758 54.525 1.00 52.97 O HETATM 2239 O HOH B2044 25.522 33.039 57.574 1.00 20.14 O HETATM 2240 O HOH B2045 0.671 26.700 52.740 1.00 47.45 O HETATM 2241 O HOH B2046 20.819 26.810 53.939 1.00 49.81 O HETATM 2242 O HOH B2047 1.198 23.102 53.499 1.00 38.84 O HETATM 2243 O HOH B2048 24.346 36.308 49.097 1.00 24.62 O HETATM 2244 O HOH B2049 2.248 23.507 61.513 1.00 43.27 O HETATM 2245 O HOH B2050 23.315 42.977 52.784 1.00 45.27 O HETATM 2246 O HOH B2051 24.830 34.872 53.055 1.00 46.55 O HETATM 2247 O HOH B2052 24.906 39.273 49.113 1.00 31.18 O HETATM 2248 O HOH B2053 16.475 38.799 41.798 1.00 13.32 O HETATM 2249 O HOH B2054 16.172 38.499 38.916 1.00 30.91 O HETATM 2250 O HOH B2055 21.975 33.918 41.043 1.00 22.26 O HETATM 2251 O HOH B2056 20.153 39.277 38.503 1.00 43.32 O HETATM 2252 O HOH B2057 25.312 33.133 45.345 1.00 36.16 O HETATM 2253 O HOH B2058 20.101 42.949 64.097 1.00 41.15 O HETATM 2254 O HOH B2059 27.190 24.275 51.454 1.00 30.43 O HETATM 2255 O HOH B2060 29.446 22.703 45.254 1.00 51.35 O HETATM 2256 O HOH B2061 27.240 27.273 45.343 1.00 37.09 O HETATM 2257 O HOH B2062 6.045 44.484 61.908 1.00 37.63 O HETATM 2258 O HOH B2063 18.795 17.947 50.231 1.00 24.55 O HETATM 2259 O HOH B2064 22.745 18.507 40.337 1.00 32.65 O HETATM 2260 O HOH B2065 20.690 21.168 41.987 1.00 13.60 O HETATM 2261 O HOH B2066 22.612 27.233 51.661 1.00 22.55 O HETATM 2262 O HOH B2067 14.154 31.540 48.728 1.00 7.85 O HETATM 2263 O HOH B2068 14.484 23.975 52.165 1.00 15.07 O HETATM 2264 O HOH B2069 13.909 16.642 43.626 1.00 21.69 O HETATM 2265 O HOH B2070 15.341 14.756 53.295 1.00 30.03 O HETATM 2266 O HOH B2071 11.883 19.191 35.017 1.00 40.45 O HETATM 2267 O HOH B2072 14.654 19.608 41.387 1.00 14.67 O HETATM 2268 O HOH B2073 19.182 23.436 36.139 1.00 30.58 O HETATM 2269 O HOH B2074 14.637 17.709 39.351 1.00 25.01 O HETATM 2270 O HOH B2075 6.281 12.872 42.293 1.00 37.26 O HETATM 2271 O HOH B2076 12.466 17.851 41.073 1.00 32.89 O HETATM 2272 O HOH B2077 2.956 27.631 42.424 1.00 38.72 O HETATM 2273 O HOH B2078 1.000 25.348 43.607 1.00 42.35 O HETATM 2274 O HOH B2079 12.930 33.887 37.756 1.00 25.36 O HETATM 2275 O HOH B2080 10.628 34.298 45.001 1.00 11.74 O HETATM 2276 O HOH B2081 9.172 34.387 40.941 1.00 18.85 O HETATM 2277 O HOH B2082 14.886 35.089 46.370 1.00 16.91 O HETATM 2278 O HOH B2083 12.467 36.399 45.965 1.00 12.93 O HETATM 2279 O HOH B2084 10.823 43.528 45.318 1.00 18.36 O HETATM 2280 O HOH B2085 13.533 44.922 41.783 1.00 42.60 O HETATM 2281 O HOH B2086 13.225 39.226 38.799 1.00 32.07 O HETATM 2282 O HOH B2087 7.946 35.347 43.256 1.00 12.58 O HETATM 2283 O HOH B2088 5.805 29.256 45.759 1.00 17.38 O HETATM 2284 O HOH B2089 0.323 34.748 46.661 1.00 44.34 O HETATM 2285 O HOH B2090 0.177 32.150 50.760 1.00 63.68 O HETATM 2286 O HOH B2091 1.698 28.454 50.690 1.00 18.72 O HETATM 2287 O HOH B2092 3.625 31.178 44.738 1.00 14.02 O HETATM 2288 O HOH B2093 -1.279 32.958 54.903 1.00 32.69 O HETATM 2289 O HOH B2094 3.736 21.167 53.699 1.00 57.02 O HETATM 2290 O HOH B2095 3.884 27.117 46.581 1.00 20.91 O HETATM 2291 O HOH B2096 9.422 22.384 58.934 1.00 12.29 O HETATM 2292 O HOH B2097 4.607 24.755 62.964 1.00 36.30 O HETATM 2293 O HOH B2098 3.339 20.009 60.785 1.00 46.25 O HETATM 2294 O HOH B2099 6.319 15.879 57.056 1.00 26.29 O HETATM 2295 O HOH B2100 10.346 21.008 56.616 1.00 35.22 O HETATM 2296 O HOH B2101 6.280 22.532 61.329 1.00 20.71 O HETATM 2297 O HOH B2102 10.158 17.528 63.886 1.00 17.18 O HETATM 2298 O HOH B2103 13.996 19.802 65.645 1.00 26.07 O HETATM 2299 O HOH B2104 10.778 21.487 65.724 1.00 56.49 O HETATM 2300 O HOH B2105 14.863 25.514 54.470 1.00 21.03 O HETATM 2301 O HOH B2106 18.869 25.391 55.704 1.00 21.88 O HETATM 2302 O HOH B2107 24.987 23.856 61.228 1.00 23.66 O HETATM 2303 O HOH B2108 22.861 23.197 63.504 1.00 37.65 O HETATM 2304 O HOH B2109 22.804 25.347 66.237 1.00 28.95 O HETATM 2305 O HOH B2110 25.368 26.775 66.167 1.00 27.25 O HETATM 2306 O HOH B2111 21.647 37.260 65.503 1.00 39.04 O HETATM 2307 O HOH B2112 16.579 21.699 66.592 1.00 29.43 O HETATM 2308 O HOH B2113 21.044 32.105 67.966 1.00 26.42 O HETATM 2309 O HOH B2114 13.559 30.778 69.728 1.00 34.75 O HETATM 2310 O HOH B2115 13.508 33.668 70.312 1.00 38.31 O HETATM 2311 O HOH B2116 18.804 37.916 66.493 1.00 16.88 O HETATM 2312 O HOH B2117 19.277 40.403 68.277 1.00 37.13 O HETATM 2313 O HOH B2118 18.550 37.828 72.646 1.00 32.53 O HETATM 2314 O HOH B2119 9.550 39.981 65.779 1.00 16.37 O HETATM 2315 O HOH B2120 18.140 45.143 63.748 1.00 27.10 O HETATM 2316 O HOH B2121 19.859 44.687 69.975 1.00 35.62 O HETATM 2317 O HOH B2122 10.137 51.103 57.716 1.00 16.62 O HETATM 2318 O HOH B2123 4.624 54.751 65.735 1.00 48.00 O HETATM 2319 O HOH B2124 3.104 52.500 60.844 1.00 41.89 O HETATM 2320 O HOH B2125 7.332 47.312 63.473 1.00 41.95 O HETATM 2321 O HOH B2126 9.409 48.685 64.948 1.00 22.41 O HETATM 2322 O HOH B2127 9.576 48.473 68.351 1.00 43.24 O HETATM 2323 O HOH B2128 13.392 23.762 35.895 1.00 26.31 O HETATM 2324 O HOH B2129 9.406 44.456 47.807 1.00 41.38 O HETATM 2325 O HOH B2130 24.259 20.073 43.417 1.00 34.84 O CONECT 48 991 CONECT 238 899 CONECT 466 2040 CONECT 513 630 CONECT 572 2040 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 899 238 CONECT 991 48 CONECT 1060 2018 CONECT 1250 1926 CONECT 1478 2053 CONECT 1523 2053 CONECT 1525 1667 CONECT 1590 2053 CONECT 1638 1761 CONECT 1667 1525 CONECT 1761 1638 CONECT 1926 1250 CONECT 2018 1060 CONECT 2040 466 572 2139 CONECT 2041 2042 2043 2044 CONECT 2042 2041 CONECT 2043 2041 CONECT 2044 2041 CONECT 2045 2046 2047 2048 CONECT 2046 2045 CONECT 2047 2045 CONECT 2048 2045 CONECT 2049 2050 2051 2052 CONECT 2050 2049 CONECT 2051 2049 CONECT 2052 2049 CONECT 2053 1478 1523 1590 2267 CONECT 2053 2271 CONECT 2055 2056 2057 2058 CONECT 2056 2055 CONECT 2057 2055 CONECT 2058 2055 CONECT 2059 2060 2061 2062 CONECT 2060 2059 CONECT 2061 2059 CONECT 2062 2059 CONECT 2063 2064 2065 2066 CONECT 2064 2063 CONECT 2065 2063 CONECT 2066 2063 CONECT 2067 2068 2069 2070 CONECT 2068 2067 CONECT 2069 2067 CONECT 2070 2067 CONECT 2071 2072 2073 2074 CONECT 2072 2071 CONECT 2073 2071 CONECT 2074 2071 CONECT 2139 2040 CONECT 2267 2053 CONECT 2271 2053 END