USER MOD reduce.3.24.130724 H: found=0, std=0, add=1390, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSPORT PROTEIN 17-APR-02 1LHV TITLE CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN TITLE 2 COMPLEX WITH NORGESTREL COMPND MOL_ID: 1; COMPND 2 MOLECULE: SEX HORMONE-BINDING GLOBULIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: LG-LIKE 1 DOMAIN, RESIDUES 30-218; COMPND 5 SYNONYM: SHBG, SEX STEROID-BINDING PROTEIN, SBP, TESTIS- COMPND 6 SPECIFIC ANDROGEN-BINDING PROTEIN, ABP; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: JM109; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T KEYWDS SHBG, NORGESTREL, TRANSPORT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR I.GRISHKOVSKAYA,G.V.AVVAKUMOV,G.L.HAMMOND,M.G.CATALANO, AUTHOR 2 Y.A.MULLER REVDAT 2 24-FEB-09 1LHV 1 VERSN REVDAT 1 23-OCT-02 1LHV 0 JRNL AUTH I.GRISHKOVSKAYA,G.V.AVVAKUMOV,G.L.HAMMOND, JRNL AUTH 2 M.G.CATALANO,Y.A.MULLER JRNL TITL STEROID LIGANDS BIND HUMAN SEX HORMONE-BINDING JRNL TITL 2 GLOBULIN IN SPECIFIC ORIENTATIONS AND PRODUCE JRNL TITL 3 DISTINCT CHANGES IN PROTEIN CONFORMATION JRNL REF J.BIOL.CHEM. V. 277 32086 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 12065592 JRNL DOI 10.1074/JBC.M203999200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.65 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 10000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 10434 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 : 0.264 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1119 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 : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL 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 : 1371 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 25 REMARK 3 SOLVENT ATOMS : 68 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL 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) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL 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) : 1.570 REMARK 3 BOND ANGLES (DEGREES) : 0.01 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LHV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 29-APR-02. REMARK 100 THE RCSB ID CODE IS RCSB015953. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-MAY-01 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : BW7B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.8453 REMARK 200 MONOCHROMATOR : TRIANGULAR MONOCHROMATOR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11554 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.03800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.03 REMARK 200 COMPLETENESS FOR SHELL (%) : 82.6 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.29900 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 1D2S REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.87 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.08 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HEPES, CALCIUM CHLORIDE, REMARK 280 NORGESTREL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE REMARK 280 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: H 3 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z REMARK 290 6555 -X,-X+Y,-Z REMARK 290 7555 X+2/3,Y+1/3,Z+1/3 REMARK 290 8555 -Y+2/3,X-Y+1/3,Z+1/3 REMARK 290 9555 -X+Y+2/3,-X+1/3,Z+1/3 REMARK 290 10555 Y+2/3,X+1/3,-Z+1/3 REMARK 290 11555 X-Y+2/3,-Y+1/3,-Z+1/3 REMARK 290 12555 -X+2/3,-X+Y+1/3,-Z+1/3 REMARK 290 13555 X+1/3,Y+2/3,Z+2/3 REMARK 290 14555 -Y+1/3,X-Y+2/3,Z+2/3 REMARK 290 15555 -X+Y+1/3,-X+2/3,Z+2/3 REMARK 290 16555 Y+1/3,X+2/3,-Z+2/3 REMARK 290 17555 X-Y+1/3,-Y+2/3,-Z+2/3 REMARK 290 18555 -X+1/3,-X+Y+2/3,-Z+2/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 7 1.000000 0.000000 0.000000 51.99000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 30.01644 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 27.97667 REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 51.99000 REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 30.01644 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 27.97667 REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 51.99000 REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 30.01644 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 27.97667 REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 51.99000 REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 30.01644 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 27.97667 REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 51.99000 REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 30.01644 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 27.97667 REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 51.99000 REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 30.01644 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 27.97667 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 60.03288 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 55.95333 REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 60.03288 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 55.95333 REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 60.03288 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 55.95333 REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 60.03288 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 55.95333 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 60.03288 REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 55.95333 REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 60.03288 REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 55.95333 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC 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 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 83.93000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LEU A 1 REMARK 465 ARG A 2 REMARK 465 PRO A 3 REMARK 465 VAL A 4 REMARK 465 LEU A 5 REMARK 465 PRO A 6 REMARK 465 THR A 7 REMARK 465 GLN A 8 REMARK 465 SER A 9 REMARK 465 ALA A 10 REMARK 465 HIS A 11 REMARK 465 ASP A 12 REMARK 465 THR A 132 REMARK 465 SER A 133 REMARK 465 LYS A 134 REMARK 465 ARG A 135 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 189 CG OD1 OD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 503 O HOH A 503 5556 1.13 REMARK 500 O HOH A 563 O HOH A 563 5556 1.40 REMARK 500 C3 IPA A 502 C3 IPA A 502 16545 2.18 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU A 80 CA - CB - CG ANGL. DEV. = 19.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 40 52.11 -103.64 REMARK 500 ASP A 96 47.61 -95.30 REMARK 500 PRO A 130 117.77 -23.30 REMARK 500 LEU A 171 -127.83 50.24 REMARK 500 CYS A 188 34.60 -91.96 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 545 DISTANCE = 5.17 ANGSTROMS REMARK 525 HOH A 563 DISTANCE = 7.67 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 401 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HOH A 535 O REMARK 620 2 ASP A 50 OD2 172.2 REMARK 620 3 GLU A 52 O 89.8 95.7 REMARK 620 4 ASP A 50 OD1 131.7 55.4 76.3 REMARK 620 5 HOH A 512 O 74.8 109.7 99.3 62.6 REMARK 620 6 ALA A 160 O 83.3 91.9 83.3 138.4 157.8 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 501 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 136 NE2 REMARK 620 2 HOH A 523 O 119.0 REMARK 620 3 ASP A 65 OD2 111.8 120.5 REMARK 620 4 HIS A 83 NE2 105.1 90.7 104.5 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 501 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NOG A 301 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPA A 502 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D2S RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LAMININ G-LIKE DOMAINOF REMARK 900 SHBG IN COMPLEX WITH DIHYDROTESTOSTERONE REMARK 900 RELATED ID: 1F5F RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH ZINC REMARK 900 RELATED ID: 1KDK RELATED DB: PDB REMARK 900 THE STRUCTURE OF THE N-TERMINAL LG DOMAIN OF SHBG IN REMARK 900 CRYSTALS SOAKED WITH EDTA REMARK 900 RELATED ID: 1KDM RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURE OF THE HUMAN SEX HORMONE-BINDING REMARK 900 GLOBULIN (TETRAGONAL CRYSTAL FORM) REMARK 900 RELATED ID: 1LHN RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17ALPHA-DIOL REMARK 900 RELATED ID: 1LHO RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17BETA-DIOL REMARK 900 RELATED ID: 1LHU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH ESTRADIOL REMARK 900 RELATED ID: 1LHW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH 2-METHOXYESTRADIOL DBREF 1LHV A 1 189 UNP P04278 SHBG_HUMAN 30 218 SEQRES 1 A 189 LEU ARG PRO VAL LEU PRO THR GLN SER ALA HIS ASP PRO SEQRES 2 A 189 PRO ALA VAL HIS LEU SER ASN GLY PRO GLY GLN GLU PRO SEQRES 3 A 189 ILE ALA VAL MET THR PHE ASP LEU THR LYS ILE THR LYS SEQRES 4 A 189 THR SER SER SER PHE GLU VAL ARG THR TRP ASP PRO GLU SEQRES 5 A 189 GLY VAL ILE PHE TYR GLY ASP THR ASN PRO LYS ASP ASP SEQRES 6 A 189 TRP PHE MET LEU GLY LEU ARG ASP GLY ARG PRO GLU ILE SEQRES 7 A 189 GLN LEU HIS ASN HIS TRP ALA GLN LEU THR VAL GLY ALA SEQRES 8 A 189 GLY PRO ARG LEU ASP ASP GLY ARG TRP HIS GLN VAL GLU SEQRES 9 A 189 VAL LYS MET GLU GLY ASP SER VAL LEU LEU GLU VAL ASP SEQRES 10 A 189 GLY GLU GLU VAL LEU ARG LEU ARG GLN VAL SER GLY PRO SEQRES 11 A 189 LEU THR SER LYS ARG HIS PRO ILE MET ARG ILE ALA LEU SEQRES 12 A 189 GLY GLY LEU LEU PHE PRO ALA SER ASN LEU ARG LEU PRO SEQRES 13 A 189 LEU VAL PRO ALA LEU ASP GLY CYS LEU ARG ARG ASP SER SEQRES 14 A 189 TRP LEU ASP LYS GLN ALA GLU ILE SER ALA SER ALA PRO SEQRES 15 A 189 THR SER LEU ARG SER CYS ASP HET CA A 401 1 HET ZN A 501 1 HET NOG A 301 23 HET IPA A 502 4 HETNAM CA CALCIUM ION HETNAM ZN ZINC ION HETNAM NOG 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4- HETNAM 2 NOG EN-3-ONE HETNAM IPA ISOPROPYL ALCOHOL HETSYN NOG NORGESTREL HETSYN IPA 2-PROPANOL FORMUL 2 CA CA 2+ FORMUL 3 ZN ZN 2+ FORMUL 4 NOG C21 H28 O2 FORMUL 5 IPA C3 H8 O FORMUL 6 HOH *64(H2 O) HELIX 1 1 THR A 35 ILE A 37 5 3 HELIX 2 2 PRO A 149 LEU A 153 5 5 HELIX 3 3 ASP A 172 GLN A 174 5 3 SHEET 1 A 6 VAL A 16 HIS A 17 0 SHEET 2 A 6 GLY A 163 TRP A 170 -1 O LEU A 165 N VAL A 16 SHEET 3 A 6 SER A 41 THR A 48 -1 N ARG A 47 O CYS A 164 SHEET 4 A 6 HIS A 101 GLU A 108 -1 O VAL A 103 N PHE A 44 SHEET 5 A 6 SER A 111 VAL A 116 -1 O LEU A 113 N LYS A 106 SHEET 6 A 6 GLU A 119 LEU A 124 -1 O LEU A 124 N VAL A 112 SHEET 1 B 7 GLN A 86 GLY A 90 0 SHEET 2 B 7 ARG A 75 HIS A 81 -1 N ILE A 78 O VAL A 89 SHEET 3 B 7 ASP A 65 ARG A 72 -1 N TRP A 66 O HIS A 81 SHEET 4 B 7 GLY A 53 ASN A 61 -1 N GLY A 58 O PHE A 67 SHEET 5 B 7 ILE A 138 LEU A 143 -1 O ARG A 140 N ASP A 59 SHEET 6 B 7 ALA A 28 ASP A 33 -1 N MET A 30 O ILE A 141 SHEET 7 B 7 GLU A 176 SER A 180 -1 O SER A 180 N VAL A 29 SSBOND *** CYS A 164 CYS A 188 1555 1555 2.03 LINK CA CA A 401 O HOH A 535 1555 1555 2.19 LINK CA CA A 401 OD2 ASP A 50 1555 1555 2.07 LINK CA CA A 401 O GLU A 52 1555 1555 2.32 LINK CA CA A 401 OD1 ASP A 50 1555 1555 2.54 LINK CA CA A 401 O HOH A 512 1555 1555 2.57 LINK CA CA A 401 O ALA A 160 1555 1555 2.36 LINK ZN ZN A 501 NE2 HIS A 136 1555 1555 2.03 LINK ZN ZN A 501 O HOH A 523 1555 1555 1.88 LINK ZN ZN A 501 OD2 ASP A 65 1555 1555 2.35 LINK ZN ZN A 501 NE2 HIS A 83 1555 1555 2.33 SITE *** AC1 5 ASP A 50 GLU A 52 ALA A 160 HOH A 512 SITE *** AC1 5 HOH A 535 SITE *** AC2 4 ASP A 65 HIS A 83 HIS A 136 HOH A 523 SITE *** AC3 10 THR A 40 SER A 41 SER A 42 THR A 60 SITE *** AC3 10 ASP A 65 ASN A 82 VAL A 105 MET A 107 SITE *** AC3 10 MET A 139 LEU A 171 SITE *** AC4 4 GLU A 104 LYS A 106 GLU A 115 GLY A 118 CRYST1 103.980 103.980 83.930 90.00 90.00 120.00 H 3 2 18 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 0.009617 0.005553 0.000000 0.00000 SCALE2 0.000000 0.011105 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011915 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 136 HIS HE2 : A 136 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD Set 1.1: A 107 MET CE :methyl 170:sc= -0.0309 (180deg=0) USER MOD Set 1.2: A 128 SER OG : rot -171:sc= 1.01 USER MOD Set 2.1: A 82 ASN : amide:sc= 0.643 K(o=0.71,f=-10!) USER MOD Set 2.2: A 301 NOG O17 : rot 158:sc= 0.0717 USER MOD Set 3.1: A 39 LYS NZ :NH3+ -141:sc= 1.53 (180deg=0.239) USER MOD Set 3.2: A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.29) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.22 K(o=-2.2,f=-1) USER MOD Single : A 24 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.0069) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 77:sc= 0.905 USER MOD Single : A 35 THR OG1 : rot -41:sc= 1.17 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -60:sc= 0.982 USER MOD Single : A 40 THR OG1 : rot 66:sc= 0.0633 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 59:sc= 1.34 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 66:sc= 1.56 USER MOD Single : A 57 TYR OH : rot -160:sc= 1.33 USER MOD Single : A 60 THR OG1 : rot -170:sc= -1.35 USER MOD Single : A 61 ASN : amide:sc= -0.651 K(o=-0.65,f=-4.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -176:sc=-0.00836 (180deg=-0.0178) USER MOD Single : A 79 GLN : amide:sc= 1.68 K(o=1.7,f=-6.8!) USER MOD Single : A 81 HIS : no HE2:sc= 1.5 K(o=1.5,f=-4.3!) USER MOD Single : A 83 HIS : no HE2:sc= -0.0469 X(o=-0.047,f=-0.15) USER MOD Single : A 86 GLN : amide:sc= -0.81 K(o=-0.81,f=-2.3) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.322 USER MOD Single : A 101 HIS : no HE2:sc= -2.62! C(o=-1.6!,f=-7.2!) USER MOD Single : A 102 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.41) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= -3.29! (180deg=-3.29!) USER MOD Single : A 111 SER OG A: rot 27:sc= -0.36 USER MOD Single : A 111 SER OG B: rot -38:sc= 0.624 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 139 MET CE :methyl 178:sc= -1.66 (180deg=-1.68) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 ASN : amide:sc= -4.2! K(o=-4.2!,f=-1.2) USER MOD Single : A 173 LYS NZ :NH3+ -172:sc= -3.9! (180deg=-4.38!) USER MOD Single : A 174 GLN : amide:sc=-0.000666 X(o=-0.00067,f=-0.18) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 180 SER OG : rot 120:sc= 0.00206 USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 502 IPA O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 13 45.339 23.771 31.381 1.00 62.61 N ATOM 2 CA PRO A 13 44.020 24.356 31.037 1.00 62.11 C ATOM 3 C PRO A 13 43.392 25.064 32.235 1.00 60.82 C ATOM 4 O PRO A 13 43.747 24.792 33.381 1.00 60.34 O ATOM 5 CB PRO A 13 43.139 23.211 30.557 1.00 62.80 C ATOM 6 CG PRO A 13 44.189 22.239 30.022 1.00 63.71 C ATOM 7 CD PRO A 13 45.356 22.342 31.023 1.00 63.03 C ATOM 0 HA PRO A 13 44.119 25.029 30.346 1.00 62.11 H new ATOM 0 HB2 PRO A 13 42.615 22.825 31.276 1.00 62.80 H new ATOM 0 HB3 PRO A 13 42.515 23.492 29.870 1.00 62.80 H new ATOM 0 HG2 PRO A 13 43.842 21.334 29.976 1.00 63.71 H new ATOM 0 HG3 PRO A 13 44.470 22.481 29.126 1.00 63.71 H new ATOM 0 HD2 PRO A 13 45.220 21.774 31.797 1.00 63.03 H new ATOM 0 HD3 PRO A 13 46.200 22.079 30.623 1.00 63.03 H new ATOM 8 N PRO A 14 42.450 25.988 31.977 1.00 59.44 N ATOM 9 CA PRO A 14 41.749 26.760 33.008 1.00 58.76 C ATOM 10 C PRO A 14 40.734 25.928 33.790 1.00 57.05 C ATOM 11 O PRO A 14 39.857 25.294 33.208 1.00 57.79 O ATOM 12 CB PRO A 14 41.083 27.868 32.201 1.00 58.93 C ATOM 13 CG PRO A 14 40.714 27.151 30.940 1.00 59.00 C ATOM 14 CD PRO A 14 41.980 26.374 30.634 1.00 59.55 C ATOM 0 HA PRO A 14 42.346 27.089 33.698 1.00 58.76 H new ATOM 0 HB2 PRO A 14 40.306 28.231 32.654 1.00 58.93 H new ATOM 0 HB3 PRO A 14 41.686 28.609 32.035 1.00 58.93 H new ATOM 0 HG2 PRO A 14 39.951 26.566 31.066 1.00 59.00 H new ATOM 0 HG3 PRO A 14 40.485 27.767 30.226 1.00 59.00 H new ATOM 0 HD2 PRO A 14 41.803 25.600 30.077 1.00 59.55 H new ATOM 0 HD3 PRO A 14 42.633 26.917 30.165 1.00 59.55 H new ATOM 15 N ALA A 15 40.850 25.945 35.111 1.00 55.23 N ATOM 16 CA ALA A 15 39.946 25.185 35.967 1.00 53.45 C ATOM 17 C ALA A 15 39.018 26.123 36.719 1.00 51.97 C ATOM 18 O ALA A 15 39.408 27.238 37.062 1.00 53.00 O ATOM 19 CB ALA A 15 40.751 24.349 36.951 1.00 53.25 C ATOM 0 H ALA A 15 41.449 26.393 35.535 1.00 55.23 H new ATOM 0 HA ALA A 15 39.409 24.597 35.413 1.00 53.45 H new ATOM 0 HB1 ALA A 15 40.147 23.845 37.518 1.00 53.25 H new ATOM 0 HB2 ALA A 15 41.322 23.736 36.463 1.00 53.25 H new ATOM 0 HB3 ALA A 15 41.298 24.932 37.500 1.00 53.25 H new ATOM 20 N VAL A 16 37.793 25.672 36.979 1.00 48.88 N ATOM 21 CA VAL A 16 36.825 26.487 37.698 1.00 47.93 C ATOM 22 C VAL A 16 36.441 25.907 39.065 1.00 47.93 C ATOM 23 O VAL A 16 36.507 24.692 39.296 1.00 44.59 O ATOM 24 CB VAL A 16 35.524 26.694 36.856 1.00 47.72 C ATOM 25 CG1 VAL A 16 34.773 25.375 36.683 1.00 47.82 C ATOM 26 CG2 VAL A 16 34.632 27.719 37.520 1.00 49.13 C ATOM 0 H VAL A 16 37.505 24.896 36.746 1.00 48.88 H new ATOM 0 HA VAL A 16 37.266 27.338 37.847 1.00 47.93 H new ATOM 0 HB VAL A 16 35.777 27.017 35.977 1.00 47.72 H new ATOM 0 HG11 VAL A 16 33.971 25.525 36.159 1.00 47.82 H new ATOM 0 HG12 VAL A 16 35.342 24.736 36.226 1.00 47.82 H new ATOM 0 HG13 VAL A 16 34.529 25.025 37.554 1.00 47.82 H new ATOM 0 HG21 VAL A 16 33.828 27.840 36.991 1.00 49.13 H new ATOM 0 HG22 VAL A 16 34.391 27.412 38.408 1.00 49.13 H new ATOM 0 HG23 VAL A 16 35.104 28.564 37.588 1.00 49.13 H new ATOM 27 N HIS A 17 36.049 26.796 39.970 1.00 48.32 N ATOM 28 CA HIS A 17 35.629 26.392 41.299 1.00 49.40 C ATOM 29 C HIS A 17 34.260 25.730 41.186 1.00 48.67 C ATOM 30 O HIS A 17 33.363 26.257 40.519 1.00 47.34 O ATOM 31 CB HIS A 17 35.547 27.606 42.221 1.00 51.07 C ATOM 32 CG HIS A 17 36.879 28.079 42.721 1.00 53.73 C ATOM 33 ND1 HIS A 17 37.632 27.362 43.628 1.00 52.80 N ATOM 34 CD2 HIS A 17 37.589 29.202 42.446 1.00 52.70 C ATOM 35 CE1 HIS A 17 38.747 28.022 43.891 1.00 52.59 C ATOM 36 NE2 HIS A 17 38.746 29.141 43.187 1.00 53.82 N ATOM 0 H HIS A 17 36.020 27.644 39.830 1.00 48.32 H new ATOM 0 HA HIS A 17 36.272 25.771 41.674 1.00 49.40 H new ATOM 0 HB2 HIS A 17 35.113 28.332 41.747 1.00 51.07 H new ATOM 0 HB3 HIS A 17 34.985 27.387 42.981 1.00 51.07 H new ATOM 0 HD2 HIS A 17 37.340 29.885 41.866 1.00 52.70 H new ATOM 0 HE1 HIS A 17 39.418 27.746 44.473 1.00 52.59 H new ATOM 0 HE2 HIS A 17 39.368 29.735 43.192 1.00 53.82 H new ATOM 37 N LEU A 18 34.104 24.581 41.842 1.00 46.50 N ATOM 38 CA LEU A 18 32.851 23.846 41.794 1.00 45.50 C ATOM 39 C LEU A 18 31.744 24.339 42.710 1.00 46.88 C ATOM 40 O LEU A 18 30.635 23.824 42.655 1.00 46.09 O ATOM 41 CB LEU A 18 33.089 22.347 42.023 1.00 43.37 C ATOM 42 CG LEU A 18 33.290 21.536 40.730 1.00 43.66 C ATOM 43 CD1 LEU A 18 33.502 20.049 41.042 1.00 42.46 C ATOM 44 CD2 LEU A 18 32.063 21.713 39.831 1.00 39.93 C ATOM 0 H LEU A 18 34.716 24.213 42.321 1.00 46.50 H new ATOM 0 HA LEU A 18 32.522 24.013 40.897 1.00 45.50 H new ATOM 0 HB2 LEU A 18 33.870 22.236 42.587 1.00 43.37 H new ATOM 0 HB3 LEU A 18 32.334 21.980 42.509 1.00 43.37 H new ATOM 0 HG LEU A 18 34.082 21.862 40.275 1.00 43.66 H new ATOM 0 HD11 LEU A 18 33.626 19.559 40.214 1.00 42.46 H new ATOM 0 HD12 LEU A 18 34.288 19.944 41.600 1.00 42.46 H new ATOM 0 HD13 LEU A 18 32.726 19.702 41.509 1.00 42.46 H new ATOM 0 HD21 LEU A 18 32.184 21.204 39.014 1.00 39.93 H new ATOM 0 HD22 LEU A 18 31.273 21.395 40.295 1.00 39.93 H new ATOM 0 HD23 LEU A 18 31.954 22.652 39.613 1.00 39.93 H new ATOM 45 N SER A 19 32.032 25.319 43.562 1.00 49.54 N ATOM 46 CA SER A 19 30.991 25.887 44.421 1.00 53.69 C ATOM 47 C SER A 19 31.186 27.405 44.516 1.00 55.96 C ATOM 48 O SER A 19 32.317 27.893 44.488 1.00 55.28 O ATOM 49 CB SER A 19 31.018 25.271 45.826 1.00 54.19 C ATOM 50 OG SER A 19 32.162 25.679 46.547 1.00 56.73 O ATOM 0 H SER A 19 32.812 25.667 43.659 1.00 49.54 H new ATOM 0 HA SER A 19 30.128 25.685 44.027 1.00 53.69 H new ATOM 0 HB2 SER A 19 30.219 25.531 46.310 1.00 54.19 H new ATOM 0 HB3 SER A 19 31.005 24.304 45.757 1.00 54.19 H new ATOM 0 HG SER A 19 32.151 25.330 47.311 1.00 56.73 H new ATOM 51 N ASN A 20 30.080 28.140 44.596 1.00 59.60 N ATOM 52 CA ASN A 20 30.124 29.597 44.710 1.00 62.65 C ATOM 53 C ASN A 20 29.785 29.996 46.139 1.00 63.69 C ATOM 54 O ASN A 20 28.615 30.035 46.525 1.00 63.95 O ATOM 55 CB ASN A 20 29.120 30.262 43.761 1.00 64.67 C ATOM 56 CG ASN A 20 29.472 30.072 42.299 1.00 66.91 C ATOM 57 OD1 ASN A 20 30.613 30.289 41.884 1.00 68.02 O ATOM 58 ND2 ASN A 20 28.482 29.683 41.502 1.00 68.32 N ATOM 0 H ASN A 20 29.286 27.811 44.586 1.00 59.60 H new ATOM 0 HA ASN A 20 31.017 29.893 44.472 1.00 62.65 H new ATOM 0 HB2 ASN A 20 28.236 29.897 43.926 1.00 64.67 H new ATOM 0 HB3 ASN A 20 29.076 31.211 43.957 1.00 64.67 H new ATOM 0 HD21 ASN A 20 28.625 29.573 40.661 1.00 68.32 H new ATOM 0 HD22 ASN A 20 27.699 29.541 41.827 1.00 68.32 H new ATOM 59 N GLY A 21 30.816 30.275 46.925 1.00 64.81 N ATOM 60 CA GLY A 21 30.611 30.681 48.303 1.00 65.66 C ATOM 61 C GLY A 21 29.865 29.682 49.164 1.00 65.34 C ATOM 62 O GLY A 21 30.448 28.697 49.603 1.00 66.10 O ATOM 0 H GLY A 21 31.639 30.235 46.679 1.00 64.81 H new ATOM 0 HA2 GLY A 21 31.476 30.853 48.707 1.00 65.66 H new ATOM 0 HA3 GLY A 21 30.124 31.520 48.309 1.00 65.66 H new ATOM 63 N PRO A 22 28.572 29.919 49.440 1.00 65.33 N ATOM 64 CA PRO A 22 27.755 29.022 50.265 1.00 65.23 C ATOM 65 C PRO A 22 27.664 27.607 49.716 1.00 64.49 C ATOM 66 O PRO A 22 27.699 26.637 50.472 1.00 64.98 O ATOM 67 CB PRO A 22 26.390 29.709 50.276 1.00 65.39 C ATOM 68 CG PRO A 22 26.746 31.145 50.181 1.00 65.84 C ATOM 69 CD PRO A 22 27.816 31.138 49.107 1.00 65.62 C ATOM 0 HA PRO A 22 28.137 28.896 51.148 1.00 65.23 H new ATOM 0 HB2 PRO A 22 25.838 29.425 49.531 1.00 65.39 H new ATOM 0 HB3 PRO A 22 25.895 29.514 51.087 1.00 65.39 H new ATOM 0 HG2 PRO A 22 25.985 31.691 49.931 1.00 65.84 H new ATOM 0 HG3 PRO A 22 27.080 31.492 51.023 1.00 65.84 H new ATOM 0 HD2 PRO A 22 27.436 31.098 48.215 1.00 65.62 H new ATOM 0 HD3 PRO A 22 28.372 31.932 49.143 1.00 65.62 H new ATOM 70 N GLY A 23 27.552 27.496 48.395 1.00 63.54 N ATOM 71 CA GLY A 23 27.430 26.191 47.776 1.00 62.40 C ATOM 72 C GLY A 23 25.997 25.692 47.880 1.00 61.64 C ATOM 73 O GLY A 23 25.744 24.493 48.029 1.00 61.00 O ATOM 0 H GLY A 23 27.545 28.160 47.848 1.00 63.54 H new ATOM 0 HA2 GLY A 23 27.695 26.242 46.844 1.00 62.40 H new ATOM 0 HA3 GLY A 23 28.030 25.563 48.208 1.00 62.40 H new ATOM 74 N GLN A 24 25.048 26.618 47.810 1.00 60.26 N ATOM 75 CA GLN A 24 23.646 26.252 47.897 1.00 58.82 C ATOM 76 C GLN A 24 23.004 26.141 46.514 1.00 56.60 C ATOM 77 O GLN A 24 21.831 25.791 46.402 1.00 56.79 O ATOM 78 CB GLN A 24 22.889 27.272 48.754 1.00 61.54 C ATOM 79 CG GLN A 24 23.396 27.353 50.196 1.00 64.74 C ATOM 80 CD GLN A 24 22.480 28.160 51.103 1.00 66.41 C ATOM 81 OE1 GLN A 24 21.323 27.793 51.319 1.00 67.86 O ATOM 82 NE2 GLN A 24 22.993 29.267 51.638 1.00 64.95 N ATOM 0 H GLN A 24 25.196 27.460 47.713 1.00 60.26 H new ATOM 0 HA GLN A 24 23.592 25.379 48.316 1.00 58.82 H new ATOM 0 HB2 GLN A 24 22.963 28.147 48.343 1.00 61.54 H new ATOM 0 HB3 GLN A 24 21.947 27.041 48.762 1.00 61.54 H new ATOM 0 HG2 GLN A 24 23.487 26.455 50.552 1.00 64.74 H new ATOM 0 HG3 GLN A 24 24.280 27.751 50.201 1.00 64.74 H new ATOM 0 HE21 GLN A 24 23.805 29.492 51.465 1.00 64.95 H new ATOM 0 HE22 GLN A 24 22.512 29.757 52.157 1.00 64.95 H new ATOM 83 N GLU A 25 23.780 26.420 45.468 1.00 52.53 N ATOM 84 CA GLU A 25 23.282 26.354 44.093 1.00 49.46 C ATOM 85 C GLU A 25 24.408 26.039 43.102 1.00 45.07 C ATOM 86 O GLU A 25 25.572 26.355 43.348 1.00 44.11 O ATOM 87 CB GLU A 25 22.606 27.680 43.719 1.00 51.17 C ATOM 88 CG GLU A 25 23.439 28.897 44.049 1.00 54.95 C ATOM 89 CD GLU A 25 22.629 30.182 44.039 1.00 58.46 C ATOM 90 OE1 GLU A 25 22.152 30.584 42.955 1.00 59.89 O ATOM 91 OE2 GLU A 25 22.467 30.789 45.123 1.00 60.85 O ATOM 0 H GLU A 25 24.606 26.652 45.534 1.00 52.53 H new ATOM 0 HA GLU A 25 22.633 25.635 44.043 1.00 49.46 H new ATOM 0 HB2 GLU A 25 22.411 27.678 42.769 1.00 51.17 H new ATOM 0 HB3 GLU A 25 21.756 27.743 44.183 1.00 51.17 H new ATOM 0 HG2 GLU A 25 23.843 28.780 44.923 1.00 54.95 H new ATOM 0 HG3 GLU A 25 24.164 28.971 43.409 1.00 54.95 H new ATOM 92 N PRO A 26 24.064 25.420 41.961 1.00 41.68 N ATOM 93 CA PRO A 26 25.004 25.036 40.900 1.00 40.58 C ATOM 94 C PRO A 26 25.771 26.252 40.401 1.00 37.96 C ATOM 95 O PRO A 26 25.242 27.351 40.435 1.00 38.40 O ATOM 96 CB PRO A 26 24.088 24.484 39.800 1.00 40.82 C ATOM 97 CG PRO A 26 22.813 24.172 40.508 1.00 42.05 C ATOM 98 CD PRO A 26 22.678 25.262 41.501 1.00 41.76 C ATOM 0 HA PRO A 26 25.672 24.397 41.194 1.00 40.58 H new ATOM 0 HB2 PRO A 26 23.951 25.134 39.093 1.00 40.82 H new ATOM 0 HB3 PRO A 26 24.467 23.692 39.387 1.00 40.82 H new ATOM 0 HG2 PRO A 26 22.061 24.155 39.895 1.00 42.05 H new ATOM 0 HG3 PRO A 26 22.849 23.303 40.937 1.00 42.05 H new ATOM 0 HD2 PRO A 26 22.331 26.076 41.103 1.00 41.76 H new ATOM 0 HD3 PRO A 26 22.079 25.023 42.225 1.00 41.76 H new ATOM 99 N ILE A 27 26.995 26.060 39.930 1.00 36.49 N ATOM 100 CA ILE A 27 27.769 27.179 39.409 1.00 37.30 C ATOM 101 C ILE A 27 27.355 27.403 37.954 1.00 37.25 C ATOM 102 O ILE A 27 27.649 28.433 37.359 1.00 34.86 O ATOM 103 CB ILE A 27 29.290 26.900 39.412 1.00 38.08 C ATOM 104 CG1 ILE A 27 29.583 25.677 38.532 1.00 37.84 C ATOM 105 CG2 ILE A 27 29.790 26.727 40.831 1.00 38.54 C ATOM 106 CD1 ILE A 27 31.035 25.395 38.324 1.00 38.81 C ATOM 0 H ILE A 27 27.394 25.298 39.902 1.00 36.49 H new ATOM 0 HA ILE A 27 27.595 27.947 39.976 1.00 37.30 H new ATOM 0 HB ILE A 27 29.769 27.656 39.038 1.00 38.08 H new ATOM 0 HG12 ILE A 27 29.168 24.897 38.934 1.00 37.84 H new ATOM 0 HG13 ILE A 27 29.164 25.808 37.667 1.00 37.84 H new ATOM 0 HG21 ILE A 27 30.744 26.553 40.819 1.00 38.54 H new ATOM 0 HG22 ILE A 27 29.616 27.536 41.337 1.00 38.54 H new ATOM 0 HG23 ILE A 27 29.331 25.981 41.247 1.00 38.54 H new ATOM 0 HD11 ILE A 27 31.135 24.612 37.761 1.00 38.81 H new ATOM 0 HD12 ILE A 27 31.455 26.157 37.895 1.00 38.81 H new ATOM 0 HD13 ILE A 27 31.459 25.233 39.181 1.00 38.81 H new ATOM 107 N ALA A 28 26.672 26.418 37.381 1.00 36.37 N ATOM 108 CA ALA A 28 26.261 26.526 35.996 1.00 33.80 C ATOM 109 C ALA A 28 25.208 25.496 35.619 1.00 34.01 C ATOM 110 O ALA A 28 25.142 24.391 36.195 1.00 31.06 O ATOM 111 CB ALA A 28 27.482 26.391 35.094 1.00 32.55 C ATOM 0 H ALA A 28 26.441 25.689 37.774 1.00 36.37 H new ATOM 0 HA ALA A 28 25.854 27.398 35.875 1.00 33.80 H new ATOM 0 HB1 ALA A 28 27.209 26.463 34.166 1.00 32.55 H new ATOM 0 HB2 ALA A 28 28.116 27.096 35.300 1.00 32.55 H new ATOM 0 HB3 ALA A 28 27.900 25.528 35.241 1.00 32.55 H new ATOM 112 N VAL A 29 24.371 25.879 34.665 1.00 32.31 N ATOM 113 CA VAL A 29 23.314 25.014 34.166 1.00 33.26 C ATOM 114 C VAL A 29 23.351 25.044 32.653 1.00 34.88 C ATOM 115 O VAL A 29 23.474 26.120 32.052 1.00 34.26 O ATOM 116 CB VAL A 29 21.920 25.481 34.609 1.00 34.50 C ATOM 117 CG1 VAL A 29 20.853 24.564 33.991 1.00 37.42 C ATOM 118 CG2 VAL A 29 21.801 25.438 36.126 1.00 37.44 C ATOM 0 H VAL A 29 24.400 26.651 34.287 1.00 32.31 H new ATOM 0 HA VAL A 29 23.466 24.125 34.522 1.00 33.26 H new ATOM 0 HB VAL A 29 21.787 26.394 34.309 1.00 34.50 H new ATOM 0 HG11 VAL A 29 19.972 24.858 34.270 1.00 37.42 H new ATOM 0 HG12 VAL A 29 20.914 24.602 33.024 1.00 37.42 H new ATOM 0 HG13 VAL A 29 20.998 23.652 34.288 1.00 37.42 H new ATOM 0 HG21 VAL A 29 20.916 25.735 36.390 1.00 37.44 H new ATOM 0 HG22 VAL A 29 21.942 24.530 36.436 1.00 37.44 H new ATOM 0 HG23 VAL A 29 22.469 26.021 36.520 1.00 37.44 H new ATOM 119 N MET A 30 23.286 23.865 32.039 1.00 33.99 N ATOM 120 CA MET A 30 23.263 23.754 30.589 1.00 34.46 C ATOM 121 C MET A 30 22.014 22.986 30.215 1.00 35.86 C ATOM 122 O MET A 30 21.631 22.021 30.896 1.00 34.52 O ATOM 123 CB MET A 30 24.487 23.016 30.069 1.00 34.81 C ATOM 124 CG MET A 30 25.784 23.704 30.410 1.00 39.47 C ATOM 125 SD MET A 30 27.153 22.557 30.330 1.00 45.50 S ATOM 126 CE MET A 30 27.135 21.900 32.028 1.00 44.20 C ATOM 0 H MET A 30 23.254 23.111 32.452 1.00 33.99 H new ATOM 0 HA MET A 30 23.268 24.640 30.195 1.00 34.46 H new ATOM 0 HB2 MET A 30 24.497 22.119 30.437 1.00 34.81 H new ATOM 0 HB3 MET A 30 24.419 22.927 29.106 1.00 34.81 H new ATOM 0 HG2 MET A 30 25.936 24.439 29.795 1.00 39.47 H new ATOM 0 HG3 MET A 30 25.728 24.086 31.300 1.00 39.47 H new ATOM 0 HE1 MET A 30 27.846 21.248 32.130 1.00 44.20 H new ATOM 0 HE2 MET A 30 27.270 22.626 32.657 1.00 44.20 H new ATOM 0 HE3 MET A 30 26.280 21.476 32.202 1.00 44.20 H new ATOM 127 N THR A 31 21.376 23.418 29.137 1.00 34.35 N ATOM 128 CA THR A 31 20.168 22.777 28.664 1.00 36.83 C ATOM 129 C THR A 31 20.459 22.137 27.310 1.00 38.22 C ATOM 130 O THR A 31 21.234 22.679 26.514 1.00 40.22 O ATOM 131 CB THR A 31 19.048 23.816 28.579 1.00 38.41 C ATOM 132 OG1 THR A 31 18.903 24.438 29.864 1.00 41.75 O ATOM 133 CG2 THR A 31 17.727 23.174 28.210 1.00 40.86 C ATOM 0 H THR A 31 21.632 24.088 28.663 1.00 34.35 H new ATOM 0 HA THR A 31 19.877 22.081 29.274 1.00 36.83 H new ATOM 0 HB THR A 31 19.281 24.463 27.895 1.00 38.41 H new ATOM 0 HG1 THR A 31 19.524 24.991 29.979 1.00 41.75 H new ATOM 0 HG21 THR A 31 17.038 23.855 28.164 1.00 40.86 H new ATOM 0 HG22 THR A 31 17.809 22.738 27.347 1.00 40.86 H new ATOM 0 HG23 THR A 31 17.487 22.517 28.882 1.00 40.86 H new ATOM 134 N PHE A 32 19.876 20.971 27.048 1.00 36.99 N ATOM 135 CA PHE A 32 20.115 20.297 25.771 1.00 36.04 C ATOM 136 C PHE A 32 18.837 19.821 25.119 1.00 37.78 C ATOM 137 O PHE A 32 17.839 19.553 25.801 1.00 36.76 O ATOM 138 CB PHE A 32 21.009 19.066 25.926 1.00 33.40 C ATOM 139 CG PHE A 32 22.363 19.351 26.485 1.00 30.08 C ATOM 140 CD1 PHE A 32 22.544 19.510 27.857 1.00 31.31 C ATOM 141 CD2 PHE A 32 23.464 19.453 25.646 1.00 29.84 C ATOM 142 CE1 PHE A 32 23.806 19.767 28.389 1.00 27.82 C ATOM 143 CE2 PHE A 32 24.733 19.712 26.165 1.00 28.44 C ATOM 144 CZ PHE A 32 24.903 19.871 27.540 1.00 30.29 C ATOM 0 H PHE A 32 19.347 20.557 27.585 1.00 36.99 H new ATOM 0 HA PHE A 32 20.547 20.968 25.219 1.00 36.04 H new ATOM 0 HB2 PHE A 32 20.562 18.426 26.502 1.00 33.40 H new ATOM 0 HB3 PHE A 32 21.112 18.644 25.059 1.00 33.40 H new ATOM 0 HD1 PHE A 32 21.812 19.444 28.426 1.00 31.31 H new ATOM 0 HD2 PHE A 32 23.355 19.348 24.728 1.00 29.84 H new ATOM 0 HE1 PHE A 32 23.914 19.868 29.307 1.00 27.82 H new ATOM 0 HE2 PHE A 32 25.465 19.779 25.595 1.00 28.44 H new ATOM 0 HZ PHE A 32 25.747 20.046 27.888 1.00 30.29 H new ATOM 145 N ASP A 33 18.876 19.752 23.787 1.00 39.15 N ATOM 146 CA ASP A 33 17.758 19.239 23.008 1.00 41.60 C ATOM 147 C ASP A 33 18.009 17.730 22.970 1.00 41.02 C ATOM 148 O ASP A 33 18.934 17.258 22.311 1.00 38.36 O ATOM 149 CB ASP A 33 17.768 19.790 21.577 1.00 42.81 C ATOM 150 CG ASP A 33 16.694 19.153 20.705 1.00 46.99 C ATOM 151 OD1 ASP A 33 16.575 17.909 20.722 1.00 47.85 O ATOM 152 OD2 ASP A 33 15.967 19.886 19.995 1.00 50.34 O ATOM 0 H ASP A 33 19.550 20.001 23.315 1.00 39.15 H new ATOM 0 HA ASP A 33 16.904 19.489 23.393 1.00 41.60 H new ATOM 0 HB2 ASP A 33 17.634 20.750 21.601 1.00 42.81 H new ATOM 0 HB3 ASP A 33 18.639 19.635 21.179 1.00 42.81 H new ATOM 153 N LEU A 34 17.189 16.981 23.691 1.00 44.22 N ATOM 154 CA LEU A 34 17.350 15.536 23.744 1.00 48.09 C ATOM 155 C LEU A 34 17.402 14.886 22.365 1.00 50.87 C ATOM 156 O LEU A 34 18.298 14.085 22.080 1.00 51.43 O ATOM 157 CB LEU A 34 16.221 14.927 24.560 1.00 48.57 C ATOM 158 CG LEU A 34 16.655 13.739 25.409 1.00 49.61 C ATOM 159 CD1 LEU A 34 17.939 14.080 26.161 1.00 49.34 C ATOM 160 CD2 LEU A 34 15.551 13.398 26.378 1.00 51.19 C ATOM 0 H LEU A 34 16.534 17.288 24.156 1.00 44.22 H new ATOM 0 HA LEU A 34 18.206 15.362 24.166 1.00 48.09 H new ATOM 0 HB2 LEU A 34 15.846 15.609 25.139 1.00 48.57 H new ATOM 0 HB3 LEU A 34 15.514 14.645 23.959 1.00 48.57 H new ATOM 0 HG LEU A 34 16.828 12.973 24.840 1.00 49.61 H new ATOM 0 HD11 LEU A 34 18.210 13.320 26.700 1.00 49.34 H new ATOM 0 HD12 LEU A 34 18.640 14.292 25.525 1.00 49.34 H new ATOM 0 HD13 LEU A 34 17.784 14.845 26.737 1.00 49.34 H new ATOM 0 HD21 LEU A 34 15.820 12.642 26.923 1.00 51.19 H new ATOM 0 HD22 LEU A 34 15.375 14.161 26.950 1.00 51.19 H new ATOM 0 HD23 LEU A 34 14.747 13.171 25.886 1.00 51.19 H new ATOM 161 N THR A 35 16.449 15.239 21.508 1.00 51.92 N ATOM 162 CA THR A 35 16.393 14.676 20.160 1.00 54.39 C ATOM 163 C THR A 35 17.641 14.955 19.321 1.00 55.97 C ATOM 164 O THR A 35 17.897 14.258 18.343 1.00 57.13 O ATOM 165 CB THR A 35 15.191 15.225 19.365 1.00 53.95 C ATOM 166 OG1 THR A 35 15.442 16.590 19.012 1.00 53.79 O ATOM 167 CG2 THR A 35 13.915 15.150 20.192 1.00 53.25 C ATOM 0 H THR A 35 15.825 15.803 21.686 1.00 51.92 H new ATOM 0 HA THR A 35 16.316 13.720 20.307 1.00 54.39 H new ATOM 0 HB THR A 35 15.076 14.686 18.566 1.00 53.95 H new ATOM 0 HG1 THR A 35 15.794 16.988 19.663 1.00 53.79 H new ATOM 0 HG21 THR A 35 13.173 15.500 19.675 1.00 53.25 H new ATOM 0 HG22 THR A 35 13.737 14.227 20.429 1.00 53.25 H new ATOM 0 HG23 THR A 35 14.021 15.676 21.000 1.00 53.25 H new ATOM 168 N LYS A 36 18.416 15.970 19.688 1.00 57.31 N ATOM 169 CA LYS A 36 19.609 16.311 18.914 1.00 58.88 C ATOM 170 C LYS A 36 20.890 15.667 19.425 1.00 58.26 C ATOM 171 O LYS A 36 21.897 15.629 18.725 1.00 57.88 O ATOM 172 CB LYS A 36 19.795 17.831 18.870 1.00 61.15 C ATOM 173 CG LYS A 36 18.668 18.573 18.163 1.00 64.74 C ATOM 174 CD LYS A 36 18.867 20.084 18.212 1.00 66.76 C ATOM 175 CE LYS A 36 17.729 20.809 17.493 1.00 69.01 C ATOM 176 NZ LYS A 36 17.877 22.297 17.522 1.00 69.59 N ATOM 0 H LYS A 36 18.273 16.470 20.373 1.00 57.31 H new ATOM 0 HA LYS A 36 19.453 15.954 18.026 1.00 58.88 H new ATOM 0 HB2 LYS A 36 19.870 18.165 19.778 1.00 61.15 H new ATOM 0 HB3 LYS A 36 20.632 18.032 18.424 1.00 61.15 H new ATOM 0 HG2 LYS A 36 18.620 18.283 17.239 1.00 64.74 H new ATOM 0 HG3 LYS A 36 17.821 18.345 18.577 1.00 64.74 H new ATOM 0 HD2 LYS A 36 18.910 20.378 19.135 1.00 66.76 H new ATOM 0 HD3 LYS A 36 19.714 20.316 17.800 1.00 66.76 H new ATOM 0 HE2 LYS A 36 17.693 20.510 16.571 1.00 69.01 H new ATOM 0 HE3 LYS A 36 16.885 20.564 17.904 1.00 69.01 H new ATOM 0 HZ1 LYS A 36 17.194 22.672 17.093 1.00 69.59 H new ATOM 0 HZ2 LYS A 36 17.887 22.578 18.366 1.00 69.59 H new ATOM 0 HZ3 LYS A 36 18.639 22.528 17.124 1.00 69.59 H new ATOM 177 N ILE A 37 20.851 15.149 20.643 1.00 57.68 N ATOM 178 CA ILE A 37 22.032 14.535 21.222 1.00 56.63 C ATOM 179 C ILE A 37 22.452 13.243 20.537 1.00 56.07 C ATOM 180 O ILE A 37 21.667 12.305 20.440 1.00 55.02 O ATOM 181 CB ILE A 37 21.822 14.220 22.713 1.00 57.10 C ATOM 182 CG1 ILE A 37 21.442 15.496 23.474 1.00 56.52 C ATOM 183 CG2 ILE A 37 23.086 13.599 23.283 1.00 56.32 C ATOM 184 CD1 ILE A 37 21.006 15.254 24.895 1.00 56.65 C ATOM 0 H ILE A 37 20.155 15.143 21.148 1.00 57.68 H new ATOM 0 HA ILE A 37 22.734 15.192 21.097 1.00 56.63 H new ATOM 0 HB ILE A 37 21.095 13.586 22.812 1.00 57.10 H new ATOM 0 HG12 ILE A 37 22.202 16.099 23.477 1.00 56.52 H new ATOM 0 HG13 ILE A 37 20.726 15.945 22.998 1.00 56.52 H new ATOM 0 HG21 ILE A 37 22.954 13.400 24.223 1.00 56.32 H new ATOM 0 HG22 ILE A 37 23.288 12.779 22.805 1.00 56.32 H new ATOM 0 HG23 ILE A 37 23.825 14.220 23.185 1.00 56.32 H new ATOM 0 HD11 ILE A 37 20.782 16.100 25.313 1.00 56.65 H new ATOM 0 HD12 ILE A 37 20.228 14.675 24.901 1.00 56.65 H new ATOM 0 HD13 ILE A 37 21.727 14.831 25.387 1.00 56.65 H new ATOM 185 N THR A 38 23.695 13.200 20.066 1.00 55.06 N ATOM 186 CA THR A 38 24.224 11.988 19.451 1.00 55.03 C ATOM 187 C THR A 38 25.266 11.414 20.414 1.00 53.43 C ATOM 188 O THR A 38 25.384 10.200 20.567 1.00 54.97 O ATOM 189 CB THR A 38 24.880 12.265 18.091 1.00 55.11 C ATOM 190 OG1 THR A 38 25.934 13.218 18.252 1.00 56.15 O ATOM 191 CG2 THR A 38 23.850 12.802 17.110 1.00 56.89 C ATOM 0 H THR A 38 24.246 13.860 20.093 1.00 55.06 H new ATOM 0 HA THR A 38 23.497 11.367 19.290 1.00 55.03 H new ATOM 0 HB THR A 38 25.243 11.436 17.742 1.00 55.11 H new ATOM 0 HG1 THR A 38 25.619 13.936 18.555 1.00 56.15 H new ATOM 0 HG21 THR A 38 24.275 12.973 16.255 1.00 56.89 H new ATOM 0 HG22 THR A 38 23.142 12.149 16.994 1.00 56.89 H new ATOM 0 HG23 THR A 38 23.474 13.627 17.455 1.00 56.89 H new ATOM 192 N LYS A 39 26.000 12.300 21.077 1.00 50.41 N ATOM 193 CA LYS A 39 27.015 11.900 22.049 1.00 48.77 C ATOM 194 C LYS A 39 26.371 11.803 23.442 1.00 46.02 C ATOM 195 O LYS A 39 25.988 12.817 24.029 1.00 45.20 O ATOM 196 CB LYS A 39 28.155 12.929 22.060 1.00 49.53 C ATOM 197 CG LYS A 39 29.266 12.668 23.059 1.00 51.75 C ATOM 198 CD LYS A 39 30.403 13.671 22.867 1.00 52.31 C ATOM 199 CE LYS A 39 31.389 13.688 24.047 1.00 53.51 C ATOM 200 NZ LYS A 39 30.872 14.369 25.289 1.00 51.14 N ATOM 0 H LYS A 39 25.925 13.151 20.977 1.00 50.41 H new ATOM 0 HA LYS A 39 27.380 11.035 21.806 1.00 48.77 H new ATOM 0 HB2 LYS A 39 28.543 12.967 21.172 1.00 49.53 H new ATOM 0 HB3 LYS A 39 27.777 13.804 22.242 1.00 49.53 H new ATOM 0 HG2 LYS A 39 28.918 12.733 23.962 1.00 51.75 H new ATOM 0 HG3 LYS A 39 29.602 11.765 22.949 1.00 51.75 H new ATOM 0 HD2 LYS A 39 30.884 13.456 22.052 1.00 52.31 H new ATOM 0 HD3 LYS A 39 30.029 14.559 22.750 1.00 52.31 H new ATOM 0 HE2 LYS A 39 31.625 12.774 24.269 1.00 53.51 H new ATOM 0 HE3 LYS A 39 32.204 14.131 23.765 1.00 53.51 H new ATOM 0 HZ1 LYS A 39 31.529 14.836 25.667 1.00 51.14 H new ATOM 0 HZ2 LYS A 39 30.206 14.918 25.072 1.00 51.14 H new ATOM 0 HZ3 LYS A 39 30.576 13.756 25.862 1.00 51.14 H new ATOM 201 N THR A 40 26.264 10.582 23.963 1.00 43.50 N ATOM 202 CA THR A 40 25.666 10.352 25.277 1.00 40.92 C ATOM 203 C THR A 40 26.686 10.075 26.363 1.00 40.46 C ATOM 204 O THR A 40 26.582 9.073 27.078 1.00 39.46 O ATOM 205 CB THR A 40 24.688 9.160 25.257 1.00 41.61 C ATOM 206 OG1 THR A 40 25.366 7.995 24.756 1.00 39.97 O ATOM 207 CG2 THR A 40 23.486 9.473 24.386 1.00 39.23 C ATOM 0 H THR A 40 26.534 9.868 23.568 1.00 43.50 H new ATOM 0 HA THR A 40 25.202 11.179 25.479 1.00 40.92 H new ATOM 0 HB THR A 40 24.377 8.992 26.160 1.00 41.61 H new ATOM 0 HG1 THR A 40 25.967 7.767 25.296 1.00 39.97 H new ATOM 0 HG21 THR A 40 22.881 8.714 24.384 1.00 39.23 H new ATOM 0 HG22 THR A 40 23.026 10.252 24.737 1.00 39.23 H new ATOM 0 HG23 THR A 40 23.781 9.653 23.480 1.00 39.23 H new ATOM 208 N SER A 41 27.675 10.950 26.485 1.00 37.12 N ATOM 209 CA SER A 41 28.690 10.794 27.513 1.00 35.47 C ATOM 210 C SER A 41 29.215 12.167 27.938 1.00 34.81 C ATOM 211 O SER A 41 29.033 13.167 27.225 1.00 35.45 O ATOM 212 CB SER A 41 29.849 9.941 26.994 1.00 36.70 C ATOM 213 OG SER A 41 30.610 10.652 26.035 1.00 38.39 O ATOM 0 H SER A 41 27.776 11.640 25.982 1.00 37.12 H new ATOM 0 HA SER A 41 28.290 10.350 28.277 1.00 35.47 H new ATOM 0 HB2 SER A 41 30.419 9.678 27.734 1.00 36.70 H new ATOM 0 HB3 SER A 41 29.503 9.126 26.598 1.00 36.70 H new ATOM 0 HG SER A 41 31.241 10.169 25.764 1.00 38.39 H new ATOM 214 N SER A 42 29.835 12.223 29.113 1.00 30.40 N ATOM 215 CA SER A 42 30.425 13.454 29.616 1.00 29.10 C ATOM 216 C SER A 42 31.750 13.090 30.281 1.00 31.75 C ATOM 217 O SER A 42 31.904 11.990 30.825 1.00 30.11 O ATOM 218 CB SER A 42 29.515 14.146 30.633 1.00 27.16 C ATOM 219 OG SER A 42 28.254 14.496 30.099 1.00 24.15 O ATOM 0 H SER A 42 29.924 11.548 29.639 1.00 30.40 H new ATOM 0 HA SER A 42 30.554 14.072 28.879 1.00 29.10 H new ATOM 0 HB2 SER A 42 29.386 13.560 31.395 1.00 27.16 H new ATOM 0 HB3 SER A 42 29.955 14.946 30.961 1.00 27.16 H new ATOM 0 HG SER A 42 27.863 13.804 29.826 1.00 24.15 H new ATOM 220 N SER A 43 32.710 14.012 30.244 1.00 33.40 N ATOM 221 CA SER A 43 34.022 13.766 30.832 1.00 33.38 C ATOM 222 C SER A 43 34.589 15.039 31.435 1.00 34.90 C ATOM 223 O SER A 43 34.249 16.156 31.010 1.00 33.72 O ATOM 224 CB SER A 43 34.976 13.238 29.766 1.00 35.61 C ATOM 225 OG SER A 43 34.973 14.101 28.636 1.00 41.78 O ATOM 0 H SER A 43 32.620 14.787 29.882 1.00 33.40 H new ATOM 0 HA SER A 43 33.923 13.106 31.536 1.00 33.38 H new ATOM 0 HB2 SER A 43 35.873 13.172 30.129 1.00 35.61 H new ATOM 0 HB3 SER A 43 34.711 12.344 29.499 1.00 35.61 H new ATOM 0 HG SER A 43 35.502 13.804 28.055 1.00 41.78 H new ATOM 226 N PHE A 44 35.463 14.873 32.423 1.00 32.82 N ATOM 227 CA PHE A 44 36.057 16.017 33.090 1.00 33.79 C ATOM 228 C PHE A 44 37.129 15.560 34.065 1.00 35.32 C ATOM 229 O PHE A 44 37.316 14.359 34.288 1.00 33.91 O ATOM 230 CB PHE A 44 34.971 16.781 33.845 1.00 34.14 C ATOM 231 CG PHE A 44 34.220 15.938 34.851 1.00 33.44 C ATOM 232 CD1 PHE A 44 34.706 15.775 36.151 1.00 35.44 C ATOM 233 CD2 PHE A 44 33.049 15.285 34.490 1.00 34.26 C ATOM 234 CE1 PHE A 44 34.031 14.965 37.087 1.00 36.07 C ATOM 235 CE2 PHE A 44 32.361 14.468 35.415 1.00 36.73 C ATOM 236 CZ PHE A 44 32.849 14.305 36.707 1.00 32.98 C ATOM 0 H PHE A 44 35.722 14.108 32.719 1.00 32.82 H new ATOM 0 HA PHE A 44 36.464 16.595 32.426 1.00 33.79 H new ATOM 0 HB2 PHE A 44 35.376 17.533 34.304 1.00 34.14 H new ATOM 0 HB3 PHE A 44 34.340 17.146 33.205 1.00 34.14 H new ATOM 0 HD1 PHE A 44 35.489 16.209 36.403 1.00 35.44 H new ATOM 0 HD2 PHE A 44 32.713 15.387 33.629 1.00 34.26 H new ATOM 0 HE1 PHE A 44 34.365 14.868 37.949 1.00 36.07 H new ATOM 0 HE2 PHE A 44 31.578 14.037 35.159 1.00 36.73 H new ATOM 0 HZ PHE A 44 32.398 13.764 37.314 1.00 32.98 H new ATOM 237 N GLU A 45 37.849 16.525 34.621 1.00 35.73 N ATOM 238 CA GLU A 45 38.881 16.236 35.605 1.00 37.27 C ATOM 239 C GLU A 45 38.480 17.046 36.811 1.00 35.44 C ATOM 240 O GLU A 45 37.988 18.159 36.674 1.00 36.66 O ATOM 241 CB GLU A 45 40.266 16.657 35.115 1.00 38.93 C ATOM 242 CG GLU A 45 40.701 15.925 33.855 1.00 43.11 C ATOM 243 CD GLU A 45 42.159 16.168 33.510 1.00 46.57 C ATOM 244 OE1 GLU A 45 42.698 17.209 33.943 1.00 49.33 O ATOM 245 OE2 GLU A 45 42.762 15.329 32.799 1.00 47.69 O ATOM 0 H GLU A 45 37.754 17.360 34.440 1.00 35.73 H new ATOM 0 HA GLU A 45 38.946 15.286 35.790 1.00 37.27 H new ATOM 0 HB2 GLU A 45 40.266 17.612 34.944 1.00 38.93 H new ATOM 0 HB3 GLU A 45 40.915 16.494 35.817 1.00 38.93 H new ATOM 0 HG2 GLU A 45 40.554 14.973 33.972 1.00 43.11 H new ATOM 0 HG3 GLU A 45 40.145 16.209 33.112 1.00 43.11 H new ATOM 246 N VAL A 46 38.657 16.472 37.990 1.00 34.56 N ATOM 247 CA VAL A 46 38.280 17.146 39.222 1.00 34.39 C ATOM 248 C VAL A 46 39.389 16.973 40.269 1.00 35.27 C ATOM 249 O VAL A 46 40.078 15.958 40.306 1.00 36.44 O ATOM 250 CB VAL A 46 36.942 16.562 39.770 1.00 34.40 C ATOM 251 CG1 VAL A 46 37.105 15.070 40.098 1.00 30.10 C ATOM 252 CG2 VAL A 46 36.493 17.330 40.998 1.00 32.91 C ATOM 0 H VAL A 46 38.995 15.689 38.100 1.00 34.56 H new ATOM 0 HA VAL A 46 38.157 18.090 39.037 1.00 34.39 H new ATOM 0 HB VAL A 46 36.261 16.654 39.085 1.00 34.40 H new ATOM 0 HG11 VAL A 46 36.267 14.720 40.437 1.00 30.10 H new ATOM 0 HG12 VAL A 46 37.355 14.587 39.295 1.00 30.10 H new ATOM 0 HG13 VAL A 46 37.796 14.960 40.769 1.00 30.10 H new ATOM 0 HG21 VAL A 46 35.661 16.956 41.327 1.00 32.91 H new ATOM 0 HG22 VAL A 46 37.172 17.264 41.688 1.00 32.91 H new ATOM 0 HG23 VAL A 46 36.359 18.262 40.766 1.00 32.91 H new ATOM 253 N ARG A 47 39.556 17.980 41.111 1.00 36.68 N ATOM 254 CA ARG A 47 40.560 17.941 42.161 1.00 38.30 C ATOM 255 C ARG A 47 39.849 18.473 43.391 1.00 36.10 C ATOM 256 O ARG A 47 39.126 19.462 43.296 1.00 36.95 O ATOM 257 CB ARG A 47 41.741 18.846 41.798 1.00 38.96 C ATOM 258 CG ARG A 47 43.084 18.336 42.286 1.00 43.68 C ATOM 259 CD ARG A 47 44.150 19.402 42.131 1.00 48.13 C ATOM 260 NE ARG A 47 43.913 20.505 43.057 1.00 53.13 N ATOM 261 CZ ARG A 47 44.570 21.657 43.034 1.00 55.91 C ATOM 262 NH1 ARG A 47 45.514 21.869 42.121 1.00 56.94 N ATOM 263 NH2 ARG A 47 44.288 22.597 43.929 1.00 57.41 N ATOM 0 H ARG A 47 39.092 18.704 41.091 1.00 36.68 H new ATOM 0 HA ARG A 47 40.917 17.050 42.298 1.00 38.30 H new ATOM 0 HB2 ARG A 47 41.775 18.946 40.834 1.00 38.96 H new ATOM 0 HB3 ARG A 47 41.586 19.728 42.170 1.00 38.96 H new ATOM 0 HG2 ARG A 47 43.016 18.073 43.217 1.00 43.68 H new ATOM 0 HG3 ARG A 47 43.336 17.545 41.785 1.00 43.68 H new ATOM 0 HD2 ARG A 47 45.025 19.017 42.296 1.00 48.13 H new ATOM 0 HD3 ARG A 47 44.153 19.733 41.219 1.00 48.13 H new ATOM 0 HE ARG A 47 43.307 20.401 43.658 1.00 53.13 H new ATOM 0 HH11 ARG A 47 45.699 21.259 41.544 1.00 56.94 H new ATOM 0 HH12 ARG A 47 45.939 22.617 42.107 1.00 56.94 H new ATOM 0 HH21 ARG A 47 43.681 22.458 44.522 1.00 57.41 H new ATOM 0 HH22 ARG A 47 44.713 23.345 43.916 1.00 57.41 H new ATOM 264 N THR A 48 40.043 17.830 44.540 1.00 35.56 N ATOM 265 CA THR A 48 39.371 18.271 45.763 1.00 33.73 C ATOM 266 C THR A 48 39.872 17.563 47.023 1.00 34.91 C ATOM 267 O THR A 48 40.500 16.507 46.949 1.00 31.84 O ATOM 268 CB THR A 48 37.862 18.013 45.662 1.00 33.87 C ATOM 269 OG1 THR A 48 37.184 18.569 46.787 1.00 36.06 O ATOM 270 CG2 THR A 48 37.590 16.531 45.630 1.00 34.36 C ATOM 0 H THR A 48 40.553 17.144 44.634 1.00 35.56 H new ATOM 0 HA THR A 48 39.571 19.217 45.842 1.00 33.73 H new ATOM 0 HB THR A 48 37.541 18.429 44.847 1.00 33.87 H new ATOM 0 HG1 THR A 48 37.248 19.406 46.767 1.00 36.06 H new ATOM 0 HG21 THR A 48 36.634 16.379 45.566 1.00 34.36 H new ATOM 0 HG22 THR A 48 38.032 16.137 44.862 1.00 34.36 H new ATOM 0 HG23 THR A 48 37.929 16.122 46.442 1.00 34.36 H new ATOM 271 N TRP A 49 39.569 18.167 48.169 1.00 34.67 N ATOM 272 CA TRP A 49 39.913 17.631 49.477 1.00 37.92 C ATOM 273 C TRP A 49 38.592 17.394 50.209 1.00 37.84 C ATOM 274 O TRP A 49 38.598 16.873 51.318 1.00 38.55 O ATOM 275 CB TRP A 49 40.754 18.627 50.315 1.00 39.36 C ATOM 276 CG TRP A 49 42.133 18.933 49.763 1.00 45.54 C ATOM 277 CD1 TRP A 49 42.505 20.054 49.071 1.00 46.46 C ATOM 278 CD2 TRP A 49 43.293 18.084 49.797 1.00 45.97 C ATOM 279 NE1 TRP A 49 43.816 19.951 48.667 1.00 47.29 N ATOM 280 CE2 TRP A 49 44.324 18.754 49.097 1.00 48.77 C ATOM 281 CE3 TRP A 49 43.560 16.823 50.346 1.00 48.52 C ATOM 282 CZ2 TRP A 49 45.603 18.204 48.926 1.00 48.97 C ATOM 283 CZ3 TRP A 49 44.836 16.274 50.177 1.00 49.97 C ATOM 284 CH2 TRP A 49 45.838 16.968 49.471 1.00 50.67 C ATOM 0 H TRP A 49 39.148 18.916 48.206 1.00 34.67 H new ATOM 0 HA TRP A 49 40.439 16.824 49.363 1.00 37.92 H new ATOM 0 HB2 TRP A 49 40.261 19.459 50.393 1.00 39.36 H new ATOM 0 HB3 TRP A 49 40.852 18.270 51.212 1.00 39.36 H new ATOM 0 HD1 TRP A 49 41.951 20.781 48.899 1.00 46.46 H new ATOM 0 HE1 TRP A 49 44.247 20.543 48.217 1.00 47.29 H new ATOM 0 HE3 TRP A 49 42.902 16.360 50.813 1.00 48.52 H new ATOM 0 HZ2 TRP A 49 46.266 18.660 48.461 1.00 48.97 H new ATOM 0 HZ3 TRP A 49 45.026 15.438 50.537 1.00 49.97 H new ATOM 0 HH2 TRP A 49 46.677 16.579 49.372 1.00 50.67 H new ATOM 285 N ASP A 50 37.477 17.788 49.584 1.00 36.94 N ATOM 286 CA ASP A 50 36.126 17.669 50.166 1.00 37.33 C ATOM 287 C ASP A 50 35.578 16.256 49.974 1.00 37.71 C ATOM 288 O ASP A 50 35.523 15.748 48.855 1.00 38.73 O ATOM 289 CB ASP A 50 35.192 18.694 49.498 1.00 35.21 C ATOM 290 CG ASP A 50 33.858 18.869 50.223 1.00 38.40 C ATOM 291 OD1 ASP A 50 33.503 18.062 51.110 1.00 38.86 O ATOM 292 OD2 ASP A 50 33.141 19.833 49.888 1.00 38.74 O ATOM 0 H ASP A 50 37.481 18.137 48.798 1.00 36.94 H new ATOM 0 HA ASP A 50 36.176 17.847 51.118 1.00 37.33 H new ATOM 0 HB2 ASP A 50 35.643 19.552 49.455 1.00 35.21 H new ATOM 0 HB3 ASP A 50 35.021 18.417 48.584 1.00 35.21 H new ATOM 293 N PRO A 51 35.185 15.590 51.073 1.00 38.53 N ATOM 294 CA PRO A 51 34.651 14.225 50.958 1.00 37.13 C ATOM 295 C PRO A 51 33.168 14.100 50.588 1.00 36.10 C ATOM 296 O PRO A 51 32.674 12.999 50.350 1.00 38.52 O ATOM 297 CB PRO A 51 34.936 13.634 52.340 1.00 37.31 C ATOM 298 CG PRO A 51 34.753 14.832 53.246 1.00 39.41 C ATOM 299 CD PRO A 51 35.505 15.915 52.481 1.00 38.18 C ATOM 0 HA PRO A 51 35.070 13.763 50.215 1.00 37.13 H new ATOM 0 HB2 PRO A 51 34.322 12.916 52.560 1.00 37.31 H new ATOM 0 HB3 PRO A 51 35.833 13.269 52.400 1.00 37.31 H new ATOM 0 HG2 PRO A 51 33.817 15.056 53.369 1.00 39.41 H new ATOM 0 HG3 PRO A 51 35.127 14.682 54.128 1.00 39.41 H new ATOM 0 HD2 PRO A 51 35.204 16.805 52.724 1.00 38.18 H new ATOM 0 HD3 PRO A 51 36.459 15.882 52.652 1.00 38.18 H new ATOM 300 N GLU A 52 32.451 15.208 50.548 1.00 32.88 N ATOM 301 CA GLU A 52 31.029 15.131 50.244 1.00 34.46 C ATOM 302 C GLU A 52 30.556 16.299 49.401 1.00 33.82 C ATOM 303 O GLU A 52 30.957 17.425 49.637 1.00 35.46 O ATOM 304 CB GLU A 52 30.230 15.096 51.549 1.00 31.79 C ATOM 305 CG GLU A 52 28.721 15.059 51.365 1.00 35.54 C ATOM 306 CD GLU A 52 27.969 14.692 52.636 1.00 37.41 C ATOM 307 OE1 GLU A 52 28.382 13.719 53.306 1.00 38.06 O ATOM 308 OE2 GLU A 52 26.952 15.358 52.943 1.00 39.97 O ATOM 0 H GLU A 52 32.756 15.999 50.690 1.00 32.88 H new ATOM 0 HA GLU A 52 30.885 14.320 49.732 1.00 34.46 H new ATOM 0 HB2 GLU A 52 30.501 14.317 52.060 1.00 31.79 H new ATOM 0 HB3 GLU A 52 30.461 15.876 52.077 1.00 31.79 H new ATOM 0 HG2 GLU A 52 28.418 15.927 51.056 1.00 35.54 H new ATOM 0 HG3 GLU A 52 28.502 14.418 50.670 1.00 35.54 H new ATOM 309 N GLY A 53 29.693 16.026 48.428 1.00 32.10 N ATOM 310 CA GLY A 53 29.171 17.094 47.594 1.00 31.15 C ATOM 311 C GLY A 53 28.710 16.613 46.232 1.00 30.35 C ATOM 312 O GLY A 53 28.943 15.463 45.849 1.00 29.73 O ATOM 0 H GLY A 53 29.402 15.239 48.238 1.00 32.10 H new ATOM 0 HA2 GLY A 53 28.428 17.519 48.050 1.00 31.15 H new ATOM 0 HA3 GLY A 53 29.856 17.770 47.477 1.00 31.15 H new ATOM 313 N VAL A 54 28.047 17.504 45.506 1.00 29.44 N ATOM 314 CA VAL A 54 27.557 17.197 44.181 1.00 27.60 C ATOM 315 C VAL A 54 28.557 17.654 43.148 1.00 28.78 C ATOM 316 O VAL A 54 28.934 18.830 43.140 1.00 27.76 O ATOM 317 CB VAL A 54 26.250 17.934 43.887 1.00 28.49 C ATOM 318 CG1 VAL A 54 25.841 17.724 42.412 1.00 25.52 C ATOM 319 CG2 VAL A 54 25.171 17.473 44.838 1.00 26.33 C ATOM 0 H VAL A 54 27.871 18.303 45.772 1.00 29.44 H new ATOM 0 HA VAL A 54 27.416 16.238 44.143 1.00 27.60 H new ATOM 0 HB VAL A 54 26.378 18.886 44.024 1.00 28.49 H new ATOM 0 HG11 VAL A 54 25.012 18.195 42.236 1.00 25.52 H new ATOM 0 HG12 VAL A 54 26.537 18.068 41.831 1.00 25.52 H new ATOM 0 HG13 VAL A 54 25.717 16.777 42.242 1.00 25.52 H new ATOM 0 HG21 VAL A 54 24.346 17.945 44.645 1.00 26.33 H new ATOM 0 HG22 VAL A 54 25.030 16.519 44.730 1.00 26.33 H new ATOM 0 HG23 VAL A 54 25.443 17.658 45.751 1.00 26.33 H new ATOM 320 N ILE A 55 28.978 16.733 42.280 1.00 26.21 N ATOM 321 CA ILE A 55 29.877 17.072 41.186 1.00 25.96 C ATOM 322 C ILE A 55 28.962 17.566 40.062 1.00 27.21 C ATOM 323 O ILE A 55 29.187 18.623 39.500 1.00 28.73 O ATOM 324 CB ILE A 55 30.714 15.863 40.732 1.00 25.09 C ATOM 325 CG1 ILE A 55 31.699 15.492 41.828 1.00 26.77 C ATOM 326 CG2 ILE A 55 31.502 16.194 39.460 1.00 29.12 C ATOM 327 CD1 ILE A 55 32.588 14.312 41.471 1.00 29.29 C ATOM 0 H ILE A 55 28.751 15.904 42.311 1.00 26.21 H new ATOM 0 HA ILE A 55 30.524 17.743 41.454 1.00 25.96 H new ATOM 0 HB ILE A 55 30.111 15.125 40.551 1.00 25.09 H new ATOM 0 HG12 ILE A 55 32.257 16.260 42.025 1.00 26.77 H new ATOM 0 HG13 ILE A 55 31.207 15.284 42.638 1.00 26.77 H new ATOM 0 HG21 ILE A 55 32.022 15.421 39.191 1.00 29.12 H new ATOM 0 HG22 ILE A 55 30.886 16.432 38.750 1.00 29.12 H new ATOM 0 HG23 ILE A 55 32.098 16.939 39.633 1.00 29.12 H new ATOM 0 HD11 ILE A 55 33.191 14.126 42.208 1.00 29.29 H new ATOM 0 HD12 ILE A 55 32.037 13.532 41.300 1.00 29.29 H new ATOM 0 HD13 ILE A 55 33.104 14.524 40.677 1.00 29.29 H new ATOM 328 N PHE A 56 27.932 16.805 39.713 1.00 25.79 N ATOM 329 CA PHE A 56 26.985 17.289 38.716 1.00 24.73 C ATOM 330 C PHE A 56 25.657 16.550 38.829 1.00 25.82 C ATOM 331 O PHE A 56 25.572 15.436 39.390 1.00 22.55 O ATOM 332 CB PHE A 56 27.577 17.268 37.280 1.00 23.27 C ATOM 333 CG PHE A 56 27.492 15.950 36.579 1.00 23.15 C ATOM 334 CD1 PHE A 56 26.316 15.555 35.949 1.00 26.57 C ATOM 335 CD2 PHE A 56 28.599 15.121 36.512 1.00 21.68 C ATOM 336 CE1 PHE A 56 26.235 14.337 35.253 1.00 25.67 C ATOM 337 CE2 PHE A 56 28.549 13.902 35.827 1.00 26.12 C ATOM 338 CZ PHE A 56 27.357 13.506 35.191 1.00 25.87 C ATOM 0 H PHE A 56 27.765 16.024 40.032 1.00 25.79 H new ATOM 0 HA PHE A 56 26.806 18.224 38.903 1.00 24.73 H new ATOM 0 HB2 PHE A 56 27.116 17.933 36.745 1.00 23.27 H new ATOM 0 HB3 PHE A 56 28.508 17.535 37.325 1.00 23.27 H new ATOM 0 HD1 PHE A 56 25.569 16.108 35.989 1.00 26.57 H new ATOM 0 HD2 PHE A 56 29.389 15.379 36.929 1.00 21.68 H new ATOM 0 HE1 PHE A 56 25.442 14.086 34.837 1.00 25.67 H new ATOM 0 HE2 PHE A 56 29.301 13.355 35.792 1.00 26.12 H new ATOM 0 HZ PHE A 56 27.317 12.698 34.733 1.00 25.87 H new ATOM 339 N TYR A 57 24.617 17.215 38.347 1.00 24.53 N ATOM 340 CA TYR A 57 23.253 16.735 38.384 1.00 24.88 C ATOM 341 C TYR A 57 22.701 16.827 36.976 1.00 27.90 C ATOM 342 O TYR A 57 23.162 17.649 36.170 1.00 27.39 O ATOM 343 CB TYR A 57 22.445 17.622 39.337 1.00 25.54 C ATOM 344 CG TYR A 57 20.942 17.518 39.212 1.00 25.96 C ATOM 345 CD1 TYR A 57 20.204 16.739 40.100 1.00 27.33 C ATOM 346 CD2 TYR A 57 20.252 18.243 38.240 1.00 26.10 C ATOM 347 CE1 TYR A 57 18.812 16.689 40.035 1.00 29.55 C ATOM 348 CE2 TYR A 57 18.855 18.193 38.157 1.00 28.47 C ATOM 349 CZ TYR A 57 18.146 17.417 39.063 1.00 29.59 C ATOM 350 OH TYR A 57 16.781 17.363 39.003 1.00 29.76 O ATOM 0 H TYR A 57 24.693 17.987 37.976 1.00 24.53 H new ATOM 0 HA TYR A 57 23.205 15.819 38.698 1.00 24.88 H new ATOM 0 HB2 TYR A 57 22.694 17.400 40.248 1.00 25.54 H new ATOM 0 HB3 TYR A 57 22.702 18.546 39.190 1.00 25.54 H new ATOM 0 HD1 TYR A 57 20.648 16.243 40.749 1.00 27.33 H new ATOM 0 HD2 TYR A 57 20.728 18.768 37.637 1.00 26.10 H new ATOM 0 HE1 TYR A 57 18.334 16.170 40.641 1.00 29.55 H new ATOM 0 HE2 TYR A 57 18.406 18.676 37.501 1.00 28.47 H new ATOM 0 HH TYR A 57 16.524 17.606 38.241 1.00 29.76 H new ATOM 351 N GLY A 58 21.719 15.982 36.682 1.00 27.91 N ATOM 352 CA GLY A 58 21.107 15.998 35.367 1.00 27.49 C ATOM 353 C GLY A 58 19.679 15.537 35.477 1.00 28.47 C ATOM 354 O GLY A 58 19.371 14.714 36.358 1.00 27.40 O ATOM 0 H GLY A 58 21.397 15.398 37.226 1.00 27.91 H new ATOM 0 HA2 GLY A 58 21.141 16.893 34.994 1.00 27.49 H new ATOM 0 HA3 GLY A 58 21.599 15.420 34.763 1.00 27.49 H new ATOM 355 N ASP A 59 18.802 16.080 34.629 1.00 27.70 N ATOM 356 CA ASP A 59 17.398 15.682 34.627 1.00 29.88 C ATOM 357 C ASP A 59 16.675 16.015 33.324 1.00 32.01 C ATOM 358 O ASP A 59 17.214 16.697 32.452 1.00 30.62 O ATOM 359 CB ASP A 59 16.617 16.281 35.830 1.00 29.63 C ATOM 360 CG ASP A 59 16.311 17.790 35.690 1.00 32.93 C ATOM 361 OD1 ASP A 59 16.310 18.319 34.560 1.00 31.14 O ATOM 362 OD2 ASP A 59 16.046 18.441 36.738 1.00 29.07 O ATOM 0 H ASP A 59 19.003 16.681 34.048 1.00 27.70 H new ATOM 0 HA ASP A 59 17.413 14.716 34.713 1.00 29.88 H new ATOM 0 HB2 ASP A 59 15.782 15.799 35.934 1.00 29.63 H new ATOM 0 HB3 ASP A 59 17.130 16.138 36.641 1.00 29.63 H new ATOM 363 N THR A 60 15.473 15.472 33.170 1.00 33.76 N ATOM 364 CA THR A 60 14.645 15.766 32.010 1.00 37.33 C ATOM 365 C THR A 60 13.405 16.250 32.710 1.00 41.46 C ATOM 366 O THR A 60 12.535 16.865 32.115 1.00 41.26 O ATOM 367 CB THR A 60 14.227 14.521 31.208 1.00 37.74 C ATOM 368 OG1 THR A 60 13.366 13.697 32.016 1.00 37.09 O ATOM 369 CG2 THR A 60 15.438 13.747 30.750 1.00 37.29 C ATOM 0 H THR A 60 15.117 14.926 33.731 1.00 33.76 H new ATOM 0 HA THR A 60 15.093 16.352 31.380 1.00 37.33 H new ATOM 0 HB THR A 60 13.742 14.802 30.416 1.00 37.74 H new ATOM 0 HG1 THR A 60 13.247 12.958 31.635 1.00 37.09 H new ATOM 0 HG21 THR A 60 15.153 12.968 30.247 1.00 37.29 H new ATOM 0 HG22 THR A 60 15.989 14.312 30.186 1.00 37.29 H new ATOM 0 HG23 THR A 60 15.952 13.463 31.522 1.00 37.29 H new ATOM 370 N ASN A 61 13.358 15.935 34.000 1.00 45.23 N ATOM 371 CA ASN A 61 12.243 16.259 34.874 1.00 49.49 C ATOM 372 C ASN A 61 12.823 16.191 36.290 1.00 50.50 C ATOM 373 O ASN A 61 13.343 15.155 36.702 1.00 50.89 O ATOM 374 CB ASN A 61 11.153 15.198 34.684 1.00 51.51 C ATOM 375 CG ASN A 61 9.811 15.633 35.210 1.00 54.20 C ATOM 376 OD1 ASN A 61 9.646 15.877 36.406 1.00 57.87 O ATOM 377 ND2 ASN A 61 8.831 15.731 34.316 1.00 55.39 N ATOM 0 H ASN A 61 13.993 15.515 34.400 1.00 45.23 H new ATOM 0 HA ASN A 61 11.850 17.127 34.694 1.00 49.49 H new ATOM 0 HB2 ASN A 61 11.073 14.989 33.740 1.00 51.51 H new ATOM 0 HB3 ASN A 61 11.422 14.381 35.133 1.00 51.51 H new ATOM 0 HD21 ASN A 61 8.044 15.973 34.565 1.00 55.39 H new ATOM 0 HD22 ASN A 61 8.984 15.552 33.489 1.00 55.39 H new ATOM 378 N PRO A 62 12.750 17.289 37.051 1.00 51.23 N ATOM 379 CA PRO A 62 13.304 17.245 38.406 1.00 52.81 C ATOM 380 C PRO A 62 12.517 16.331 39.327 1.00 53.93 C ATOM 381 O PRO A 62 13.045 15.840 40.318 1.00 54.96 O ATOM 382 CB PRO A 62 13.247 18.703 38.843 1.00 52.48 C ATOM 383 CG PRO A 62 11.979 19.171 38.194 1.00 53.22 C ATOM 384 CD PRO A 62 12.078 18.578 36.799 1.00 52.63 C ATOM 0 HA PRO A 62 14.200 16.876 38.436 1.00 52.81 H new ATOM 0 HB2 PRO A 62 13.216 18.792 39.808 1.00 52.48 H new ATOM 0 HB3 PRO A 62 14.019 19.205 38.537 1.00 52.48 H new ATOM 0 HG2 PRO A 62 11.194 18.852 38.666 1.00 53.22 H new ATOM 0 HG3 PRO A 62 11.922 20.139 38.171 1.00 53.22 H new ATOM 0 HD2 PRO A 62 11.205 18.458 36.394 1.00 52.63 H new ATOM 0 HD3 PRO A 62 12.592 19.143 36.201 1.00 52.63 H new ATOM 385 N LYS A 63 11.255 16.094 38.990 1.00 54.71 N ATOM 386 CA LYS A 63 10.405 15.239 39.809 1.00 56.47 C ATOM 387 C LYS A 63 10.634 13.728 39.671 1.00 55.81 C ATOM 388 O LYS A 63 10.826 13.025 40.667 1.00 56.30 O ATOM 389 CB LYS A 63 8.927 15.531 39.515 1.00 57.84 C ATOM 390 CG LYS A 63 7.964 14.540 40.177 1.00 62.19 C ATOM 391 CD LYS A 63 6.529 14.701 39.671 1.00 63.40 C ATOM 392 CE LYS A 63 5.614 13.598 40.217 1.00 65.18 C ATOM 393 NZ LYS A 63 5.452 13.650 41.705 1.00 65.30 N ATOM 0 H LYS A 63 10.872 16.418 38.292 1.00 54.71 H new ATOM 0 HA LYS A 63 10.654 15.463 40.719 1.00 56.47 H new ATOM 0 HB2 LYS A 63 8.716 16.428 39.818 1.00 57.84 H new ATOM 0 HB3 LYS A 63 8.786 15.515 38.555 1.00 57.84 H new ATOM 0 HG2 LYS A 63 8.266 13.634 40.005 1.00 62.19 H new ATOM 0 HG3 LYS A 63 7.982 14.667 41.138 1.00 62.19 H new ATOM 0 HD2 LYS A 63 6.186 15.569 39.937 1.00 63.40 H new ATOM 0 HD3 LYS A 63 6.522 14.678 38.701 1.00 63.40 H new ATOM 0 HE2 LYS A 63 4.742 13.673 39.800 1.00 65.18 H new ATOM 0 HE3 LYS A 63 5.975 12.733 39.967 1.00 65.18 H new ATOM 0 HZ1 LYS A 63 4.914 12.992 41.968 1.00 65.30 H new ATOM 0 HZ2 LYS A 63 6.247 13.557 42.094 1.00 65.30 H new ATOM 0 HZ3 LYS A 63 5.098 14.433 41.938 1.00 65.30 H new ATOM 394 N ASP A 64 10.641 13.230 38.439 1.00 54.05 N ATOM 395 CA ASP A 64 10.749 11.790 38.238 1.00 51.72 C ATOM 396 C ASP A 64 11.736 11.274 37.204 1.00 48.11 C ATOM 397 O ASP A 64 11.652 10.116 36.794 1.00 47.62 O ATOM 398 CB ASP A 64 9.369 11.294 37.870 1.00 54.03 C ATOM 399 CG ASP A 64 8.722 12.194 36.856 1.00 55.99 C ATOM 400 OD1 ASP A 64 9.437 12.560 35.893 1.00 57.51 O ATOM 401 OD2 ASP A 64 7.528 12.541 37.019 1.00 56.38 O ATOM 0 H ASP A 64 10.585 13.698 37.719 1.00 54.05 H new ATOM 0 HA ASP A 64 11.107 11.450 39.073 1.00 51.72 H new ATOM 0 HB2 ASP A 64 9.430 10.393 37.515 1.00 54.03 H new ATOM 0 HB3 ASP A 64 8.816 11.248 38.666 1.00 54.03 H new ATOM 402 N ASP A 65 12.654 12.115 36.755 1.00 43.32 N ATOM 403 CA ASP A 65 13.623 11.664 35.772 1.00 37.50 C ATOM 404 C ASP A 65 14.918 12.409 35.997 1.00 34.84 C ATOM 405 O ASP A 65 15.234 13.337 35.249 1.00 30.24 O ATOM 406 CB ASP A 65 13.096 11.955 34.380 1.00 41.44 C ATOM 407 CG ASP A 65 13.341 10.816 33.433 1.00 43.31 C ATOM 408 OD1 ASP A 65 14.524 10.535 33.159 1.00 45.13 O ATOM 409 OD2 ASP A 65 12.355 10.190 32.984 1.00 41.12 O ATOM 0 H ASP A 65 12.733 12.935 37.001 1.00 43.32 H new ATOM 0 HA ASP A 65 13.774 10.710 35.860 1.00 37.50 H new ATOM 0 HB2 ASP A 65 12.144 12.136 34.427 1.00 41.44 H new ATOM 0 HB3 ASP A 65 13.520 12.757 34.036 1.00 41.44 H new ATOM 410 N TRP A 66 15.672 11.999 37.016 1.00 30.84 N ATOM 411 CA TRP A 66 16.914 12.697 37.362 1.00 28.46 C ATOM 412 C TRP A 66 18.103 11.800 37.745 1.00 27.46 C ATOM 413 O TRP A 66 17.944 10.601 38.010 1.00 25.90 O ATOM 414 CB TRP A 66 16.625 13.713 38.489 1.00 24.18 C ATOM 415 CG TRP A 66 16.152 13.094 39.785 1.00 27.51 C ATOM 416 CD1 TRP A 66 14.856 12.848 40.159 1.00 27.57 C ATOM 417 CD2 TRP A 66 16.968 12.662 40.886 1.00 26.13 C ATOM 418 NE1 TRP A 66 14.822 12.297 41.412 1.00 25.84 N ATOM 419 CE2 TRP A 66 16.098 12.172 41.886 1.00 26.74 C ATOM 420 CE3 TRP A 66 18.353 12.639 41.123 1.00 27.15 C ATOM 421 CZ2 TRP A 66 16.565 11.667 43.113 1.00 27.56 C ATOM 422 CZ3 TRP A 66 18.819 12.135 42.342 1.00 26.67 C ATOM 423 CH2 TRP A 66 17.922 11.660 43.321 1.00 25.84 C ATOM 0 H TRP A 66 15.486 11.325 37.517 1.00 30.84 H new ATOM 0 HA TRP A 66 17.201 13.138 36.547 1.00 28.46 H new ATOM 0 HB2 TRP A 66 17.431 14.224 38.663 1.00 24.18 H new ATOM 0 HB3 TRP A 66 15.953 14.340 38.179 1.00 24.18 H new ATOM 0 HD1 TRP A 66 14.108 13.029 39.637 1.00 27.57 H new ATOM 0 HE1 TRP A 66 14.110 12.066 41.835 1.00 25.84 H new ATOM 0 HE3 TRP A 66 18.949 12.953 40.481 1.00 27.15 H new ATOM 0 HZ2 TRP A 66 15.976 11.350 43.759 1.00 27.56 H new ATOM 0 HZ3 TRP A 66 19.734 12.113 42.509 1.00 26.67 H new ATOM 0 HH2 TRP A 66 18.257 11.335 44.125 1.00 25.84 H new ATOM 424 N PHE A 67 19.289 12.407 37.781 1.00 25.63 N ATOM 425 CA PHE A 67 20.543 11.727 38.080 1.00 24.17 C ATOM 426 C PHE A 67 21.516 12.660 38.813 1.00 25.04 C ATOM 427 O PHE A 67 21.528 13.877 38.573 1.00 24.06 O ATOM 428 CB PHE A 67 21.157 11.280 36.746 1.00 25.45 C ATOM 429 CG PHE A 67 22.565 10.758 36.834 1.00 26.14 C ATOM 430 CD1 PHE A 67 22.825 9.383 36.677 1.00 25.61 C ATOM 431 CD2 PHE A 67 23.650 11.635 36.943 1.00 26.15 C ATOM 432 CE1 PHE A 67 24.127 8.903 36.617 1.00 23.96 C ATOM 433 CE2 PHE A 67 24.966 11.156 36.885 1.00 25.75 C ATOM 434 CZ PHE A 67 25.202 9.787 36.720 1.00 26.65 C ATOM 0 H PHE A 67 19.386 13.248 37.628 1.00 25.63 H new ATOM 0 HA PHE A 67 20.374 10.967 38.659 1.00 24.17 H new ATOM 0 HB2 PHE A 67 20.594 10.589 36.362 1.00 25.45 H new ATOM 0 HB3 PHE A 67 21.143 12.031 36.132 1.00 25.45 H new ATOM 0 HD1 PHE A 67 22.114 8.787 36.612 1.00 25.61 H new ATOM 0 HD2 PHE A 67 23.496 12.545 37.055 1.00 26.15 H new ATOM 0 HE1 PHE A 67 24.282 7.993 36.508 1.00 23.96 H new ATOM 0 HE2 PHE A 67 25.681 11.747 36.956 1.00 25.75 H new ATOM 0 HZ PHE A 67 26.074 9.466 36.679 1.00 26.65 H new ATOM 435 N MET A 68 22.325 12.102 39.707 1.00 22.83 N ATOM 436 CA MET A 68 23.335 12.902 40.392 1.00 23.73 C ATOM 437 C MET A 68 24.609 12.108 40.625 1.00 24.47 C ATOM 438 O MET A 68 24.545 10.934 41.033 1.00 22.95 O ATOM 439 CB MET A 68 22.814 13.380 41.738 1.00 26.85 C ATOM 440 CG MET A 68 23.768 14.309 42.439 1.00 30.47 C ATOM 441 SD MET A 68 24.792 13.536 43.684 1.00 36.99 S ATOM 442 CE MET A 68 23.613 13.427 44.966 1.00 34.49 C ATOM 0 H MET A 68 22.307 11.272 39.930 1.00 22.83 H new ATOM 0 HA MET A 68 23.532 13.661 39.821 1.00 23.73 H new ATOM 0 HB2 MET A 68 21.966 13.832 41.609 1.00 26.85 H new ATOM 0 HB3 MET A 68 22.643 12.612 42.305 1.00 26.85 H new ATOM 0 HG2 MET A 68 24.343 14.721 41.776 1.00 30.47 H new ATOM 0 HG3 MET A 68 23.258 15.022 42.855 1.00 30.47 H new ATOM 0 HE1 MET A 68 24.035 13.074 45.765 1.00 34.49 H new ATOM 0 HE2 MET A 68 23.255 14.309 45.153 1.00 34.49 H new ATOM 0 HE3 MET A 68 22.893 12.837 44.694 1.00 34.49 H new ATOM 443 N LEU A 69 25.754 12.736 40.347 1.00 23.21 N ATOM 444 CA LEU A 69 27.058 12.133 40.607 1.00 21.23 C ATOM 445 C LEU A 69 27.705 13.067 41.617 1.00 23.81 C ATOM 446 O LEU A 69 27.768 14.290 41.427 1.00 20.85 O ATOM 447 CB LEU A 69 27.944 12.040 39.353 1.00 23.04 C ATOM 448 CG LEU A 69 29.414 11.675 39.647 1.00 22.73 C ATOM 449 CD1 LEU A 69 29.461 10.171 40.036 1.00 24.67 C ATOM 450 CD2 LEU A 69 30.333 11.935 38.438 1.00 23.91 C ATOM 0 H LEU A 69 25.794 13.523 40.003 1.00 23.21 H new ATOM 0 HA LEU A 69 26.956 11.220 40.918 1.00 21.23 H new ATOM 0 HB2 LEU A 69 27.570 11.376 38.753 1.00 23.04 H new ATOM 0 HB3 LEU A 69 27.919 12.890 38.887 1.00 23.04 H new ATOM 0 HG LEU A 69 29.739 12.235 40.369 1.00 22.73 H new ATOM 0 HD11 LEU A 69 30.377 9.914 40.227 1.00 24.67 H new ATOM 0 HD12 LEU A 69 28.914 10.023 40.823 1.00 24.67 H new ATOM 0 HD13 LEU A 69 29.122 9.636 39.301 1.00 24.67 H new ATOM 0 HD21 LEU A 69 31.244 11.693 38.666 1.00 23.91 H new ATOM 0 HD22 LEU A 69 30.036 11.401 37.685 1.00 23.91 H new ATOM 0 HD23 LEU A 69 30.298 12.875 38.201 1.00 23.91 H new ATOM 451 N GLY A 70 28.155 12.505 42.723 1.00 24.12 N ATOM 452 CA GLY A 70 28.799 13.331 43.719 1.00 27.82 C ATOM 453 C GLY A 70 29.803 12.507 44.470 1.00 28.15 C ATOM 454 O GLY A 70 30.265 11.471 43.983 1.00 29.98 O ATOM 0 H GLY A 70 28.100 11.668 42.913 1.00 24.12 H new ATOM 0 HA2 GLY A 70 29.236 14.086 43.295 1.00 27.82 H new ATOM 0 HA3 GLY A 70 28.139 13.693 44.331 1.00 27.82 H new ATOM 455 N LEU A 71 30.170 12.996 45.645 1.00 30.96 N ATOM 456 CA LEU A 71 31.100 12.299 46.510 1.00 30.05 C ATOM 457 C LEU A 71 30.470 12.100 47.880 1.00 29.26 C ATOM 458 O LEU A 71 29.725 12.946 48.353 1.00 27.24 O ATOM 459 CB LEU A 71 32.404 13.094 46.666 1.00 31.86 C ATOM 460 CG LEU A 71 33.371 13.216 45.475 1.00 30.13 C ATOM 461 CD1 LEU A 71 34.688 13.811 45.981 1.00 31.23 C ATOM 462 CD2 LEU A 71 33.642 11.851 44.850 1.00 30.03 C ATOM 0 H LEU A 71 29.885 13.743 45.962 1.00 30.96 H new ATOM 0 HA LEU A 71 31.305 11.440 46.109 1.00 30.05 H new ATOM 0 HB2 LEU A 71 32.164 13.994 46.937 1.00 31.86 H new ATOM 0 HB3 LEU A 71 32.898 12.698 47.401 1.00 31.86 H new ATOM 0 HG LEU A 71 32.972 13.786 44.799 1.00 30.13 H new ATOM 0 HD11 LEU A 71 35.310 13.895 45.242 1.00 31.23 H new ATOM 0 HD12 LEU A 71 34.522 14.686 46.364 1.00 31.23 H new ATOM 0 HD13 LEU A 71 35.067 13.229 46.658 1.00 31.23 H new ATOM 0 HD21 LEU A 71 34.253 11.952 44.103 1.00 30.03 H new ATOM 0 HD22 LEU A 71 34.038 11.264 45.513 1.00 30.03 H new ATOM 0 HD23 LEU A 71 32.808 11.467 44.536 1.00 30.03 H new ATOM 463 N ARG A 72 30.722 10.944 48.483 1.00 29.23 N ATOM 464 CA ARG A 72 30.264 10.668 49.843 1.00 29.54 C ATOM 465 C ARG A 72 31.413 9.829 50.415 1.00 29.94 C ATOM 466 O ARG A 72 31.847 8.848 49.802 1.00 29.12 O ATOM 467 CB ARG A 72 28.906 9.936 49.904 1.00 27.95 C ATOM 468 CG ARG A 72 28.269 10.067 51.307 1.00 28.24 C ATOM 469 CD ARG A 72 27.046 9.157 51.527 1.00 26.96 C ATOM 470 NE ARG A 72 25.941 9.488 50.628 1.00 27.54 N ATOM 471 CZ ARG A 72 25.000 10.401 50.867 1.00 28.57 C ATOM 472 NH1 ARG A 72 25.006 11.099 51.996 1.00 27.35 N ATOM 473 NH2 ARG A 72 24.048 10.620 49.968 1.00 25.51 N ATOM 0 H ARG A 72 31.161 10.300 48.119 1.00 29.23 H new ATOM 0 HA ARG A 72 30.086 11.478 50.347 1.00 29.54 H new ATOM 0 HB2 ARG A 72 28.306 10.304 49.237 1.00 27.95 H new ATOM 0 HB3 ARG A 72 29.030 8.999 49.687 1.00 27.95 H new ATOM 0 HG2 ARG A 72 28.939 9.860 51.977 1.00 28.24 H new ATOM 0 HG3 ARG A 72 28.004 10.989 51.447 1.00 28.24 H new ATOM 0 HD2 ARG A 72 27.305 8.232 51.392 1.00 26.96 H new ATOM 0 HD3 ARG A 72 26.747 9.236 52.446 1.00 26.96 H new ATOM 0 HE ARG A 72 25.895 9.058 49.884 1.00 27.54 H new ATOM 0 HH11 ARG A 72 25.621 10.964 52.582 1.00 27.35 H new ATOM 0 HH12 ARG A 72 24.395 11.686 52.142 1.00 27.35 H new ATOM 0 HH21 ARG A 72 24.039 10.173 49.233 1.00 25.51 H new ATOM 0 HH22 ARG A 72 23.440 11.209 50.120 1.00 25.51 H new ATOM 474 N ASP A 73 31.922 10.275 51.570 1.00 31.35 N ATOM 475 CA ASP A 73 33.081 9.691 52.243 1.00 31.83 C ATOM 476 C ASP A 73 34.230 9.565 51.249 1.00 30.23 C ATOM 477 O ASP A 73 34.911 8.538 51.187 1.00 29.41 O ATOM 478 CB ASP A 73 32.765 8.331 52.913 1.00 37.49 C ATOM 479 CG ASP A 73 33.853 7.905 53.931 1.00 44.35 C ATOM 480 OD1 ASP A 73 34.661 8.772 54.364 1.00 45.39 O ATOM 481 OD2 ASP A 73 33.903 6.706 54.316 1.00 46.73 O ATOM 0 H ASP A 73 31.590 10.946 51.993 1.00 31.35 H new ATOM 0 HA ASP A 73 33.339 10.286 52.964 1.00 31.83 H new ATOM 0 HB2 ASP A 73 31.908 8.387 53.364 1.00 37.49 H new ATOM 0 HB3 ASP A 73 32.681 7.648 52.229 1.00 37.49 H new ATOM 482 N GLY A 74 34.427 10.634 50.460 1.00 29.84 N ATOM 483 CA GLY A 74 35.498 10.689 49.475 1.00 25.84 C ATOM 484 C GLY A 74 35.339 9.873 48.193 1.00 27.63 C ATOM 485 O GLY A 74 36.170 9.956 47.265 1.00 28.06 O ATOM 0 H GLY A 74 33.939 11.342 50.488 1.00 29.84 H new ATOM 0 HA2 GLY A 74 35.622 11.617 49.222 1.00 25.84 H new ATOM 0 HA3 GLY A 74 36.316 10.402 49.910 1.00 25.84 H new ATOM 486 N ARG A 75 34.273 9.087 48.114 1.00 25.59 N ATOM 487 CA ARG A 75 34.075 8.234 46.956 1.00 23.54 C ATOM 488 C ARG A 75 32.879 8.614 46.123 1.00 21.78 C ATOM 489 O ARG A 75 31.913 9.188 46.617 1.00 24.42 O ATOM 490 CB ARG A 75 33.909 6.755 47.386 1.00 23.92 C ATOM 491 CG ARG A 75 35.053 6.186 48.233 1.00 26.66 C ATOM 492 CD ARG A 75 34.819 4.690 48.567 1.00 31.34 C ATOM 493 NE ARG A 75 35.826 4.185 49.495 1.00 34.57 N ATOM 494 CZ ARG A 75 36.941 3.550 49.135 1.00 36.00 C ATOM 495 NH1 ARG A 75 37.216 3.317 47.852 1.00 36.13 N ATOM 496 NH2 ARG A 75 37.793 3.160 50.069 1.00 36.49 N ATOM 0 H ARG A 75 33.659 9.034 48.714 1.00 25.59 H new ATOM 0 HA ARG A 75 34.870 8.353 46.413 1.00 23.54 H new ATOM 0 HB2 ARG A 75 33.083 6.670 47.887 1.00 23.92 H new ATOM 0 HB3 ARG A 75 33.815 6.211 46.589 1.00 23.92 H new ATOM 0 HG2 ARG A 75 35.892 6.285 47.756 1.00 26.66 H new ATOM 0 HG3 ARG A 75 35.133 6.694 49.055 1.00 26.66 H new ATOM 0 HD2 ARG A 75 33.936 4.578 48.953 1.00 31.34 H new ATOM 0 HD3 ARG A 75 34.840 4.168 47.750 1.00 31.34 H new ATOM 0 HE ARG A 75 35.690 4.306 50.335 1.00 34.57 H new ATOM 0 HH11 ARG A 75 36.670 3.578 47.241 1.00 36.13 H new ATOM 0 HH12 ARG A 75 37.940 2.906 47.635 1.00 36.13 H new ATOM 0 HH21 ARG A 75 37.624 3.317 50.898 1.00 36.49 H new ATOM 0 HH22 ARG A 75 38.516 2.749 49.848 1.00 36.49 H new ATOM 497 N PRO A 76 32.932 8.285 44.836 1.00 22.82 N ATOM 498 CA PRO A 76 31.860 8.558 43.880 1.00 24.60 C ATOM 499 C PRO A 76 30.578 7.954 44.398 1.00 25.15 C ATOM 500 O PRO A 76 30.582 6.845 44.946 1.00 23.50 O ATOM 501 CB PRO A 76 32.310 7.812 42.638 1.00 22.37 C ATOM 502 CG PRO A 76 33.820 7.881 42.739 1.00 26.16 C ATOM 503 CD PRO A 76 34.092 7.654 44.178 1.00 22.98 C ATOM 0 HA PRO A 76 31.702 9.502 43.724 1.00 24.60 H new ATOM 0 HB2 PRO A 76 31.990 6.896 42.632 1.00 22.37 H new ATOM 0 HB3 PRO A 76 31.983 8.232 41.827 1.00 22.37 H new ATOM 0 HG2 PRO A 76 34.244 7.206 42.186 1.00 26.16 H new ATOM 0 HG3 PRO A 76 34.157 8.742 42.445 1.00 26.16 H new ATOM 0 HD2 PRO A 76 34.154 6.709 44.387 1.00 22.98 H new ATOM 0 HD3 PRO A 76 34.928 8.061 44.455 1.00 22.98 H new ATOM 504 N GLU A 77 29.493 8.692 44.234 1.00 24.97 N ATOM 505 CA GLU A 77 28.180 8.212 44.579 1.00 25.60 C ATOM 506 C GLU A 77 27.236 8.664 43.476 1.00 25.44 C ATOM 507 O GLU A 77 27.304 9.804 43.001 1.00 24.95 O ATOM 508 CB GLU A 77 27.658 8.747 45.925 1.00 24.58 C ATOM 509 CG GLU A 77 26.191 8.267 46.179 1.00 29.46 C ATOM 510 CD GLU A 77 25.630 8.636 47.548 1.00 33.71 C ATOM 511 OE1 GLU A 77 26.044 8.007 48.550 1.00 31.81 O ATOM 512 OE2 GLU A 77 24.777 9.557 47.612 1.00 34.30 O ATOM 0 H GLU A 77 29.503 9.491 43.916 1.00 24.97 H new ATOM 0 HA GLU A 77 28.227 7.247 44.669 1.00 25.60 H new ATOM 0 HB2 GLU A 77 28.232 8.441 46.644 1.00 24.58 H new ATOM 0 HB3 GLU A 77 27.691 9.716 45.928 1.00 24.58 H new ATOM 0 HG2 GLU A 77 25.617 8.645 45.495 1.00 29.46 H new ATOM 0 HG3 GLU A 77 26.157 7.303 46.078 1.00 29.46 H new ATOM 513 N ILE A 78 26.364 7.756 43.062 1.00 23.24 N ATOM 514 CA ILE A 78 25.380 8.080 42.064 1.00 20.39 C ATOM 515 C ILE A 78 23.995 7.803 42.609 1.00 21.88 C ATOM 516 O ILE A 78 23.749 6.747 43.223 1.00 21.07 O ATOM 517 CB ILE A 78 25.581 7.260 40.771 1.00 21.19 C ATOM 518 CG1 ILE A 78 26.857 7.720 40.049 1.00 22.65 C ATOM 519 CG2 ILE A 78 24.345 7.408 39.882 1.00 21.40 C ATOM 520 CD1 ILE A 78 27.130 7.042 38.679 1.00 24.01 C ATOM 0 H ILE A 78 26.331 6.947 43.352 1.00 23.24 H new ATOM 0 HA ILE A 78 25.481 9.020 41.847 1.00 20.39 H new ATOM 0 HB ILE A 78 25.690 6.321 40.988 1.00 21.19 H new ATOM 0 HG12 ILE A 78 26.805 8.679 39.913 1.00 22.65 H new ATOM 0 HG13 ILE A 78 27.616 7.556 40.630 1.00 22.65 H new ATOM 0 HG21 ILE A 78 24.468 6.894 39.069 1.00 21.40 H new ATOM 0 HG22 ILE A 78 23.564 7.081 40.356 1.00 21.40 H new ATOM 0 HG23 ILE A 78 24.218 8.343 39.657 1.00 21.40 H new ATOM 0 HD11 ILE A 78 27.951 7.394 38.302 1.00 24.01 H new ATOM 0 HD12 ILE A 78 27.216 6.084 38.803 1.00 24.01 H new ATOM 0 HD13 ILE A 78 26.393 7.224 38.075 1.00 24.01 H new ATOM 521 N GLN A 79 23.109 8.785 42.446 1.00 20.77 N ATOM 522 CA GLN A 79 21.718 8.624 42.803 1.00 21.81 C ATOM 523 C GLN A 79 21.000 8.815 41.480 1.00 24.22 C ATOM 524 O GLN A 79 21.339 9.686 40.668 1.00 23.20 O ATOM 525 CB GLN A 79 21.260 9.632 43.852 1.00 21.82 C ATOM 526 CG GLN A 79 21.752 9.275 45.241 1.00 22.91 C ATOM 527 CD GLN A 79 21.163 10.160 46.327 1.00 21.16 C ATOM 528 OE1 GLN A 79 19.964 10.399 46.367 1.00 24.40 O ATOM 529 NE2 GLN A 79 22.013 10.638 47.211 1.00 21.66 N ATOM 0 H GLN A 79 23.305 9.559 42.125 1.00 20.77 H new ATOM 0 HA GLN A 79 21.537 7.765 43.215 1.00 21.81 H new ATOM 0 HB2 GLN A 79 21.583 10.515 43.613 1.00 21.82 H new ATOM 0 HB3 GLN A 79 20.291 9.676 43.855 1.00 21.82 H new ATOM 0 HG2 GLN A 79 21.530 8.350 45.429 1.00 22.91 H new ATOM 0 HG3 GLN A 79 22.719 9.345 45.264 1.00 22.91 H new ATOM 0 HE21 GLN A 79 22.849 10.448 47.150 1.00 21.66 H new ATOM 0 HE22 GLN A 79 21.732 11.141 47.850 1.00 21.66 H new ATOM 530 N LEU A 80 19.973 8.016 41.280 1.00 24.37 N ATOM 531 CA LEU A 80 19.287 8.025 40.014 1.00 26.60 C ATOM 532 C LEU A 80 17.838 7.691 40.271 1.00 26.69 C ATOM 533 O LEU A 80 17.539 6.841 41.112 1.00 28.60 O ATOM 534 CB LEU A 80 20.000 6.951 39.180 1.00 29.11 C ATOM 535 CG LEU A 80 19.690 6.238 37.881 1.00 34.02 C ATOM 536 CD1 LEU A 80 20.999 5.618 37.417 1.00 28.50 C ATOM 537 CD2 LEU A 80 18.593 5.188 38.055 1.00 31.23 C ATOM 0 H LEU A 80 19.660 7.465 41.861 1.00 24.37 H new ATOM 0 HA LEU A 80 19.305 8.876 39.549 1.00 26.60 H new ATOM 0 HB2 LEU A 80 20.875 7.338 39.019 1.00 29.11 H new ATOM 0 HB3 LEU A 80 20.123 6.224 39.810 1.00 29.11 H new ATOM 0 HG LEU A 80 19.345 6.857 37.219 1.00 34.02 H new ATOM 0 HD11 LEU A 80 20.855 5.145 36.582 1.00 28.50 H new ATOM 0 HD12 LEU A 80 21.659 6.316 37.283 1.00 28.50 H new ATOM 0 HD13 LEU A 80 21.319 4.996 38.089 1.00 28.50 H new ATOM 0 HD21 LEU A 80 18.422 4.754 37.204 1.00 31.23 H new ATOM 0 HD22 LEU A 80 18.878 4.526 38.704 1.00 31.23 H new ATOM 0 HD23 LEU A 80 17.781 5.617 38.367 1.00 31.23 H new ATOM 538 N HIS A 81 16.943 8.348 39.546 1.00 26.60 N ATOM 539 CA HIS A 81 15.517 8.107 39.700 1.00 28.58 C ATOM 540 C HIS A 81 14.781 8.303 38.376 1.00 29.44 C ATOM 541 O HIS A 81 14.728 9.406 37.834 1.00 29.50 O ATOM 542 CB HIS A 81 14.948 9.047 40.768 1.00 29.82 C ATOM 543 CG HIS A 81 13.496 8.831 41.062 1.00 31.92 C ATOM 544 ND1 HIS A 81 13.054 8.156 42.181 1.00 34.84 N ATOM 545 CD2 HIS A 81 12.384 9.183 40.374 1.00 33.12 C ATOM 546 CE1 HIS A 81 11.734 8.098 42.167 1.00 31.65 C ATOM 547 NE2 HIS A 81 11.303 8.711 41.079 1.00 31.96 N ATOM 0 H HIS A 81 17.143 8.941 38.956 1.00 26.60 H new ATOM 0 HA HIS A 81 15.388 7.187 39.979 1.00 28.58 H new ATOM 0 HB2 HIS A 81 15.454 8.934 41.588 1.00 29.82 H new ATOM 0 HB3 HIS A 81 15.077 9.964 40.480 1.00 29.82 H new ATOM 0 HD1 HIS A 81 13.559 7.824 42.793 1.00 34.84 H new ATOM 0 HD2 HIS A 81 12.357 9.656 39.574 1.00 33.12 H new ATOM 0 HE1 HIS A 81 11.200 7.695 42.813 1.00 31.65 H new ATOM 548 N ASN A 82 14.233 7.224 37.839 1.00 30.74 N ATOM 549 CA ASN A 82 13.471 7.295 36.601 1.00 32.21 C ATOM 550 C ASN A 82 12.500 6.121 36.512 1.00 35.59 C ATOM 551 O ASN A 82 12.395 5.309 37.440 1.00 35.53 O ATOM 552 CB ASN A 82 14.388 7.325 35.366 1.00 33.26 C ATOM 553 CG ASN A 82 15.201 6.060 35.197 1.00 33.85 C ATOM 554 OD1 ASN A 82 14.726 4.955 35.470 1.00 34.00 O ATOM 555 ND2 ASN A 82 16.429 6.211 34.710 1.00 33.90 N ATOM 0 H ASN A 82 14.291 6.436 38.178 1.00 30.74 H new ATOM 0 HA ASN A 82 12.969 8.125 36.612 1.00 32.21 H new ATOM 0 HB2 ASN A 82 13.848 7.464 34.572 1.00 33.26 H new ATOM 0 HB3 ASN A 82 14.990 8.083 35.435 1.00 33.26 H new ATOM 0 HD21 ASN A 82 16.925 5.522 34.574 1.00 33.90 H new ATOM 0 HD22 ASN A 82 16.727 6.998 34.531 1.00 33.90 H new ATOM 556 N HIS A 83 11.787 6.046 35.398 1.00 37.01 N ATOM 557 CA HIS A 83 10.804 4.994 35.170 1.00 41.66 C ATOM 558 C HIS A 83 11.322 3.582 35.450 1.00 40.47 C ATOM 559 O HIS A 83 10.622 2.767 36.045 1.00 42.95 O ATOM 560 CB HIS A 83 10.312 5.043 33.712 1.00 43.73 C ATOM 561 CG HIS A 83 9.726 6.361 33.310 1.00 47.61 C ATOM 562 ND1 HIS A 83 8.573 6.869 33.874 1.00 47.47 N ATOM 563 CD2 HIS A 83 10.133 7.275 32.394 1.00 48.38 C ATOM 564 CE1 HIS A 83 8.295 8.038 33.322 1.00 48.66 C ATOM 565 NE2 HIS A 83 9.225 8.307 32.421 1.00 49.20 N ATOM 0 H HIS A 83 11.859 6.606 34.749 1.00 37.01 H new ATOM 0 HA HIS A 83 10.086 5.169 35.799 1.00 41.66 H new ATOM 0 HB2 HIS A 83 11.054 4.837 33.123 1.00 43.73 H new ATOM 0 HB3 HIS A 83 9.646 4.350 33.582 1.00 43.73 H new ATOM 0 HD1 HIS A 83 8.109 6.486 34.488 1.00 47.47 H new ATOM 0 HD2 HIS A 83 10.885 7.215 31.850 1.00 48.38 H new ATOM 0 HE1 HIS A 83 7.568 8.579 33.532 1.00 48.66 H new ATOM 566 N TRP A 84 12.553 3.314 35.030 1.00 38.02 N ATOM 567 CA TRP A 84 13.155 1.994 35.154 1.00 36.42 C ATOM 568 C TRP A 84 13.948 1.674 36.408 1.00 34.47 C ATOM 569 O TRP A 84 14.047 0.513 36.821 1.00 34.48 O ATOM 570 CB TRP A 84 14.055 1.760 33.945 1.00 40.62 C ATOM 571 CG TRP A 84 13.342 1.949 32.646 1.00 47.31 C ATOM 572 CD1 TRP A 84 12.539 1.044 32.009 1.00 49.83 C ATOM 573 CD2 TRP A 84 13.343 3.126 31.831 1.00 49.62 C ATOM 574 NE1 TRP A 84 12.044 1.584 30.848 1.00 50.36 N ATOM 575 CE2 TRP A 84 12.521 2.862 30.714 1.00 50.75 C ATOM 576 CE3 TRP A 84 13.960 4.382 31.936 1.00 50.94 C ATOM 577 CZ2 TRP A 84 12.298 3.806 29.705 1.00 51.78 C ATOM 578 CZ3 TRP A 84 13.738 5.324 30.932 1.00 51.05 C ATOM 579 CH2 TRP A 84 12.914 5.028 29.832 1.00 52.42 C ATOM 0 H TRP A 84 13.066 3.898 34.662 1.00 38.02 H new ATOM 0 HA TRP A 84 12.390 1.400 35.210 1.00 36.42 H new ATOM 0 HB2 TRP A 84 14.809 2.368 33.986 1.00 40.62 H new ATOM 0 HB3 TRP A 84 14.414 0.860 33.984 1.00 40.62 H new ATOM 0 HD1 TRP A 84 12.355 0.186 32.318 1.00 49.83 H new ATOM 0 HE1 TRP A 84 11.520 1.185 30.295 1.00 50.36 H new ATOM 0 HE3 TRP A 84 14.507 4.582 32.661 1.00 50.94 H new ATOM 0 HZ2 TRP A 84 11.753 3.614 28.976 1.00 51.78 H new ATOM 0 HZ3 TRP A 84 14.141 6.160 30.991 1.00 51.05 H new ATOM 0 HH2 TRP A 84 12.783 5.674 29.176 1.00 52.42 H new ATOM 580 N ALA A 85 14.526 2.683 37.028 1.00 31.55 N ATOM 581 CA ALA A 85 15.333 2.388 38.190 1.00 29.88 C ATOM 582 C ALA A 85 15.385 3.544 39.175 1.00 27.18 C ATOM 583 O ALA A 85 15.164 4.719 38.823 1.00 27.15 O ATOM 584 CB ALA A 85 16.759 1.988 37.714 1.00 25.52 C ATOM 0 H ALA A 85 14.469 3.512 36.805 1.00 31.55 H new ATOM 0 HA ALA A 85 14.924 1.651 38.671 1.00 29.88 H new ATOM 0 HB1 ALA A 85 17.313 1.787 38.484 1.00 25.52 H new ATOM 0 HB2 ALA A 85 16.702 1.205 37.144 1.00 25.52 H new ATOM 0 HB3 ALA A 85 17.152 2.722 37.217 1.00 25.52 H new ATOM 585 N GLN A 86 15.631 3.191 40.423 1.00 27.80 N ATOM 586 CA GLN A 86 15.738 4.157 41.504 1.00 29.40 C ATOM 587 C GLN A 86 16.810 3.592 42.404 1.00 29.71 C ATOM 588 O GLN A 86 16.639 2.519 42.982 1.00 29.50 O ATOM 589 CB GLN A 86 14.408 4.288 42.232 1.00 28.97 C ATOM 590 CG GLN A 86 13.221 4.572 41.294 1.00 32.11 C ATOM 591 CD GLN A 86 12.668 3.300 40.692 1.00 31.78 C ATOM 592 OE1 GLN A 86 12.564 2.290 41.384 1.00 34.63 O ATOM 593 NE2 GLN A 86 12.295 3.338 39.415 1.00 30.77 N ATOM 0 H GLN A 86 15.742 2.375 40.672 1.00 27.80 H new ATOM 0 HA GLN A 86 15.960 5.049 41.194 1.00 29.40 H new ATOM 0 HB2 GLN A 86 14.234 3.470 42.723 1.00 28.97 H new ATOM 0 HB3 GLN A 86 14.474 5.003 42.885 1.00 28.97 H new ATOM 0 HG2 GLN A 86 12.521 5.028 41.786 1.00 32.11 H new ATOM 0 HG3 GLN A 86 13.505 5.170 40.585 1.00 32.11 H new ATOM 0 HE21 GLN A 86 12.383 4.064 38.963 1.00 30.77 H new ATOM 0 HE22 GLN A 86 11.966 2.636 39.042 1.00 30.77 H new ATOM 594 N LEU A 87 17.925 4.303 42.529 1.00 28.13 N ATOM 595 CA LEU A 87 19.020 3.765 43.303 1.00 26.67 C ATOM 596 C LEU A 87 19.995 4.781 43.854 1.00 25.77 C ATOM 597 O LEU A 87 20.070 5.929 43.380 1.00 24.10 O ATOM 598 CB LEU A 87 19.776 2.758 42.425 1.00 29.43 C ATOM 599 CG LEU A 87 20.326 3.299 41.101 1.00 29.51 C ATOM 600 CD1 LEU A 87 21.714 3.927 41.346 1.00 29.05 C ATOM 601 CD2 LEU A 87 20.424 2.176 40.059 1.00 26.12 C ATOM 0 H LEU A 87 18.061 5.078 42.182 1.00 28.13 H new ATOM 0 HA LEU A 87 18.620 3.356 44.086 1.00 26.67 H new ATOM 0 HB2 LEU A 87 20.516 2.399 42.939 1.00 29.43 H new ATOM 0 HB3 LEU A 87 19.182 2.017 42.229 1.00 29.43 H new ATOM 0 HG LEU A 87 19.722 3.976 40.757 1.00 29.51 H new ATOM 0 HD11 LEU A 87 22.066 4.271 40.510 1.00 29.05 H new ATOM 0 HD12 LEU A 87 21.633 4.652 41.985 1.00 29.05 H new ATOM 0 HD13 LEU A 87 22.317 3.253 41.697 1.00 29.05 H new ATOM 0 HD21 LEU A 87 20.773 2.535 39.228 1.00 26.12 H new ATOM 0 HD22 LEU A 87 21.018 1.482 40.386 1.00 26.12 H new ATOM 0 HD23 LEU A 87 19.543 1.801 39.904 1.00 26.12 H new ATOM 602 N THR A 88 20.759 4.318 44.840 1.00 22.78 N ATOM 603 CA THR A 88 21.780 5.103 45.534 1.00 22.80 C ATOM 604 C THR A 88 22.980 4.152 45.657 1.00 25.20 C ATOM 605 O THR A 88 22.959 3.169 46.437 1.00 22.45 O ATOM 606 CB THR A 88 21.280 5.545 46.944 1.00 23.81 C ATOM 607 OG1 THR A 88 20.056 6.265 46.802 1.00 22.80 O ATOM 608 CG2 THR A 88 22.310 6.465 47.636 1.00 21.22 C ATOM 0 H THR A 88 20.696 3.512 45.134 1.00 22.78 H new ATOM 0 HA THR A 88 22.002 5.918 45.058 1.00 22.80 H new ATOM 0 HB THR A 88 21.154 4.750 47.485 1.00 23.81 H new ATOM 0 HG1 THR A 88 19.782 6.504 47.559 1.00 22.80 H new ATOM 0 HG21 THR A 88 21.977 6.725 48.509 1.00 21.22 H new ATOM 0 HG22 THR A 88 23.150 5.991 47.739 1.00 21.22 H new ATOM 0 HG23 THR A 88 22.451 7.257 47.095 1.00 21.22 H new ATOM 609 N VAL A 89 24.027 4.440 44.887 1.00 24.37 N ATOM 610 CA VAL A 89 25.205 3.580 44.852 1.00 24.89 C ATOM 611 C VAL A 89 26.560 4.269 44.930 1.00 25.55 C ATOM 612 O VAL A 89 26.809 5.226 44.194 1.00 28.21 O ATOM 613 CB VAL A 89 25.191 2.735 43.558 1.00 26.01 C ATOM 614 CG1 VAL A 89 26.423 1.833 43.503 1.00 27.46 C ATOM 615 CG2 VAL A 89 23.896 1.904 43.492 1.00 24.13 C ATOM 0 H VAL A 89 24.074 5.131 44.377 1.00 24.37 H new ATOM 0 HA VAL A 89 25.127 3.053 45.663 1.00 24.89 H new ATOM 0 HB VAL A 89 25.217 3.326 42.789 1.00 26.01 H new ATOM 0 HG11 VAL A 89 26.404 1.308 42.688 1.00 27.46 H new ATOM 0 HG12 VAL A 89 27.225 2.379 43.517 1.00 27.46 H new ATOM 0 HG13 VAL A 89 26.424 1.239 44.270 1.00 27.46 H new ATOM 0 HG21 VAL A 89 23.892 1.376 42.679 1.00 24.13 H new ATOM 0 HG22 VAL A 89 23.850 1.314 44.261 1.00 24.13 H new ATOM 0 HG23 VAL A 89 23.129 2.498 43.495 1.00 24.13 H new ATOM 616 N GLY A 90 27.433 3.776 45.821 1.00 24.27 N ATOM 617 CA GLY A 90 28.782 4.315 45.941 1.00 21.71 C ATOM 618 C GLY A 90 29.778 3.347 45.295 1.00 24.45 C ATOM 619 O GLY A 90 29.544 2.132 45.309 1.00 23.77 O ATOM 0 H GLY A 90 27.257 3.130 46.361 1.00 24.27 H new ATOM 0 HA2 GLY A 90 28.834 5.183 45.510 1.00 21.71 H new ATOM 0 HA3 GLY A 90 29.005 4.448 46.875 1.00 21.71 H new ATOM 620 N ALA A 91 30.861 3.859 44.704 1.00 25.62 N ATOM 621 CA ALA A 91 31.865 3.011 44.051 1.00 26.74 C ATOM 622 C ALA A 91 33.163 3.748 43.738 1.00 30.24 C ATOM 623 O ALA A 91 33.237 4.974 43.797 1.00 31.86 O ATOM 624 CB ALA A 91 31.315 2.443 42.763 1.00 27.49 C ATOM 0 H ALA A 91 31.034 4.701 44.670 1.00 25.62 H new ATOM 0 HA ALA A 91 32.068 2.304 44.683 1.00 26.74 H new ATOM 0 HB1 ALA A 91 31.988 1.885 42.342 1.00 27.49 H new ATOM 0 HB2 ALA A 91 30.527 1.910 42.954 1.00 27.49 H new ATOM 0 HB3 ALA A 91 31.077 3.169 42.165 1.00 27.49 H new ATOM 625 N GLY A 92 34.188 2.978 43.408 1.00 31.00 N ATOM 626 CA GLY A 92 35.460 3.558 43.041 1.00 30.64 C ATOM 627 C GLY A 92 36.322 3.981 44.200 1.00 32.46 C ATOM 628 O GLY A 92 35.881 3.997 45.349 1.00 33.86 O ATOM 0 H GLY A 92 34.165 2.118 43.391 1.00 31.00 H new ATOM 0 HA2 GLY A 92 35.952 2.915 42.507 1.00 30.64 H new ATOM 0 HA3 GLY A 92 35.298 4.330 42.477 1.00 30.64 H new ATOM 629 N PRO A 93 37.575 4.359 43.921 1.00 33.53 N ATOM 630 CA PRO A 93 38.490 4.784 44.982 1.00 32.87 C ATOM 631 C PRO A 93 38.101 6.160 45.484 1.00 33.19 C ATOM 632 O PRO A 93 37.241 6.833 44.885 1.00 31.02 O ATOM 633 CB PRO A 93 39.827 4.805 44.267 1.00 31.81 C ATOM 634 CG PRO A 93 39.446 5.353 42.930 1.00 33.31 C ATOM 635 CD PRO A 93 38.175 4.576 42.590 1.00 32.24 C ATOM 0 HA PRO A 93 38.490 4.212 45.765 1.00 32.87 H new ATOM 0 HB2 PRO A 93 40.474 5.368 44.721 1.00 31.81 H new ATOM 0 HB3 PRO A 93 40.218 3.920 44.200 1.00 31.81 H new ATOM 0 HG2 PRO A 93 39.284 6.309 42.966 1.00 33.31 H new ATOM 0 HG3 PRO A 93 40.143 5.208 42.271 1.00 33.31 H new ATOM 0 HD2 PRO A 93 37.588 5.081 42.006 1.00 32.24 H new ATOM 0 HD3 PRO A 93 38.371 3.739 42.141 1.00 32.24 H new ATOM 636 N ARG A 94 38.713 6.575 46.591 1.00 32.91 N ATOM 637 CA ARG A 94 38.453 7.910 47.125 1.00 33.23 C ATOM 638 C ARG A 94 39.065 8.912 46.140 1.00 33.16 C ATOM 639 O ARG A 94 40.095 8.639 45.514 1.00 33.44 O ATOM 640 CB ARG A 94 39.110 8.108 48.500 1.00 34.78 C ATOM 641 CG ARG A 94 38.435 7.369 49.653 1.00 35.08 C ATOM 642 CD ARG A 94 39.077 7.783 50.970 1.00 35.91 C ATOM 643 NE ARG A 94 38.642 9.111 51.383 1.00 31.97 N ATOM 644 CZ ARG A 94 37.752 9.337 52.335 1.00 32.53 C ATOM 645 NH1 ARG A 94 37.203 8.322 52.989 1.00 36.00 N ATOM 646 NH2 ARG A 94 37.393 10.574 52.628 1.00 33.55 N ATOM 0 H ARG A 94 39.275 6.106 47.043 1.00 32.91 H new ATOM 0 HA ARG A 94 37.497 8.035 47.233 1.00 33.23 H new ATOM 0 HB2 ARG A 94 40.034 7.819 48.446 1.00 34.78 H new ATOM 0 HB3 ARG A 94 39.121 9.056 48.704 1.00 34.78 H new ATOM 0 HG2 ARG A 94 37.486 7.571 49.667 1.00 35.08 H new ATOM 0 HG3 ARG A 94 38.519 6.411 49.529 1.00 35.08 H new ATOM 0 HD2 ARG A 94 38.850 7.138 51.658 1.00 35.91 H new ATOM 0 HD3 ARG A 94 40.043 7.772 50.878 1.00 35.91 H new ATOM 0 HE ARG A 94 38.985 9.790 50.983 1.00 31.97 H new ATOM 0 HH11 ARG A 94 37.426 7.514 52.794 1.00 36.00 H new ATOM 0 HH12 ARG A 94 36.625 8.472 53.608 1.00 36.00 H new ATOM 0 HH21 ARG A 94 37.738 11.235 52.199 1.00 33.55 H new ATOM 0 HH22 ARG A 94 36.814 10.718 53.247 1.00 33.55 H new ATOM 647 N LEU A 95 38.432 10.064 45.997 1.00 33.30 N ATOM 648 CA LEU A 95 38.963 11.079 45.088 1.00 37.16 C ATOM 649 C LEU A 95 39.271 12.365 45.838 1.00 37.22 C ATOM 650 O LEU A 95 39.635 13.363 45.231 1.00 39.03 O ATOM 651 CB LEU A 95 37.962 11.369 43.962 1.00 36.20 C ATOM 652 CG LEU A 95 37.505 10.156 43.147 1.00 36.33 C ATOM 653 CD1 LEU A 95 36.545 10.609 42.039 1.00 39.07 C ATOM 654 CD2 LEU A 95 38.719 9.448 42.559 1.00 37.08 C ATOM 0 H LEU A 95 37.707 10.281 46.406 1.00 33.30 H new ATOM 0 HA LEU A 95 39.784 10.735 44.703 1.00 37.16 H new ATOM 0 HB2 LEU A 95 37.179 11.791 44.349 1.00 36.20 H new ATOM 0 HB3 LEU A 95 38.361 12.013 43.356 1.00 36.20 H new ATOM 0 HG LEU A 95 37.035 9.533 43.723 1.00 36.33 H new ATOM 0 HD11 LEU A 95 36.257 9.838 41.525 1.00 39.07 H new ATOM 0 HD12 LEU A 95 35.772 11.039 42.436 1.00 39.07 H new ATOM 0 HD13 LEU A 95 36.998 11.236 41.454 1.00 39.07 H new ATOM 0 HD21 LEU A 95 38.428 8.680 42.043 1.00 37.08 H new ATOM 0 HD22 LEU A 95 39.203 10.060 41.982 1.00 37.08 H new ATOM 0 HD23 LEU A 95 39.301 9.153 43.277 1.00 37.08 H new ATOM 655 N ASP A 96 39.123 12.346 47.158 1.00 36.76 N ATOM 656 CA ASP A 96 39.390 13.552 47.936 1.00 38.31 C ATOM 657 C ASP A 96 40.802 13.569 48.493 1.00 38.64 C ATOM 658 O ASP A 96 41.011 13.845 49.666 1.00 40.24 O ATOM 659 CB ASP A 96 38.369 13.716 49.069 1.00 35.29 C ATOM 660 CG ASP A 96 38.403 12.574 50.089 1.00 35.00 C ATOM 661 OD1 ASP A 96 39.051 11.537 49.845 1.00 32.92 O ATOM 662 OD2 ASP A 96 37.750 12.728 51.144 1.00 36.73 O ATOM 0 H ASP A 96 38.874 11.661 47.615 1.00 36.76 H new ATOM 0 HA ASP A 96 39.303 14.303 47.328 1.00 38.31 H new ATOM 0 HB2 ASP A 96 38.536 14.555 49.527 1.00 35.29 H new ATOM 0 HB3 ASP A 96 37.479 13.773 48.687 1.00 35.29 H new ATOM 663 N ASP A 97 41.762 13.270 47.633 1.00 39.46 N ATOM 664 CA ASP A 97 43.165 13.248 48.015 1.00 43.37 C ATOM 665 C ASP A 97 43.923 14.460 47.458 1.00 44.30 C ATOM 666 O ASP A 97 45.148 14.520 47.520 1.00 44.96 O ATOM 667 CB ASP A 97 43.806 11.957 47.511 1.00 43.41 C ATOM 668 CG ASP A 97 43.682 11.797 46.018 1.00 44.41 C ATOM 669 OD1 ASP A 97 42.906 12.555 45.380 1.00 44.99 O ATOM 670 OD2 ASP A 97 44.362 10.905 45.473 1.00 44.99 O ATOM 0 H ASP A 97 41.619 13.073 46.808 1.00 39.46 H new ATOM 0 HA ASP A 97 43.217 13.289 48.983 1.00 43.37 H new ATOM 0 HB2 ASP A 97 44.744 11.947 47.758 1.00 43.41 H new ATOM 0 HB3 ASP A 97 43.389 11.199 47.950 1.00 43.41 H new ATOM 671 N GLY A 98 43.190 15.424 46.918 1.00 44.44 N ATOM 672 CA GLY A 98 43.833 16.605 46.374 1.00 46.84 C ATOM 673 C GLY A 98 44.531 16.438 45.030 1.00 46.99 C ATOM 674 O GLY A 98 45.224 17.352 44.583 1.00 49.31 O ATOM 0 H GLY A 98 42.332 15.413 46.858 1.00 44.44 H new ATOM 0 HA2 GLY A 98 43.164 17.302 46.285 1.00 46.84 H new ATOM 0 HA3 GLY A 98 44.486 16.920 47.019 1.00 46.84 H new ATOM 675 N ARG A 99 44.368 15.287 44.386 1.00 46.20 N ATOM 676 CA ARG A 99 44.975 15.045 43.077 1.00 46.03 C ATOM 677 C ARG A 99 43.922 15.169 41.961 1.00 45.60 C ATOM 678 O ARG A 99 42.727 15.005 42.209 1.00 43.11 O ATOM 679 CB ARG A 99 45.586 13.644 43.013 1.00 48.21 C ATOM 680 CG ARG A 99 46.810 13.429 43.891 1.00 53.25 C ATOM 681 CD ARG A 99 47.601 12.168 43.476 1.00 56.77 C ATOM 682 NE ARG A 99 46.917 10.902 43.773 1.00 60.82 N ATOM 683 CZ ARG A 99 45.894 10.398 43.079 1.00 61.51 C ATOM 684 NH1 ARG A 99 45.411 11.050 42.025 1.00 62.45 N ATOM 685 NH2 ARG A 99 45.359 9.231 43.430 1.00 60.82 N ATOM 0 H ARG A 99 43.907 14.628 44.691 1.00 46.20 H new ATOM 0 HA ARG A 99 45.670 15.710 42.950 1.00 46.03 H new ATOM 0 HB2 ARG A 99 44.907 12.999 43.266 1.00 48.21 H new ATOM 0 HB3 ARG A 99 45.828 13.454 42.093 1.00 48.21 H new ATOM 0 HG2 ARG A 99 47.388 14.206 43.836 1.00 53.25 H new ATOM 0 HG3 ARG A 99 46.533 13.347 44.817 1.00 53.25 H new ATOM 0 HD2 ARG A 99 47.781 12.211 42.524 1.00 56.77 H new ATOM 0 HD3 ARG A 99 48.459 12.174 43.928 1.00 56.77 H new ATOM 0 HE ARG A 99 47.198 10.449 44.448 1.00 60.82 H new ATOM 0 HH11 ARG A 99 45.758 11.800 41.787 1.00 62.45 H new ATOM 0 HH12 ARG A 99 44.752 10.721 41.581 1.00 62.45 H new ATOM 0 HH21 ARG A 99 45.672 8.800 44.105 1.00 60.82 H new ATOM 0 HH22 ARG A 99 44.700 8.908 42.982 1.00 60.82 H new ATOM 686 N TRP A 100 44.368 15.477 40.743 1.00 44.71 N ATOM 687 CA TRP A 100 43.457 15.593 39.609 1.00 43.41 C ATOM 688 C TRP A 100 43.011 14.206 39.209 1.00 42.03 C ATOM 689 O TRP A 100 43.825 13.287 39.115 1.00 42.22 O ATOM 690 CB TRP A 100 44.136 16.259 38.403 1.00 44.84 C ATOM 691 CG TRP A 100 44.193 17.751 38.516 1.00 45.78 C ATOM 692 CD1 TRP A 100 45.292 18.515 38.804 1.00 44.80 C ATOM 693 CD2 TRP A 100 43.085 18.659 38.416 1.00 44.98 C ATOM 694 NE1 TRP A 100 44.934 19.839 38.894 1.00 45.82 N ATOM 695 CE2 TRP A 100 43.587 19.957 38.661 1.00 46.22 C ATOM 696 CE3 TRP A 100 41.718 18.500 38.145 1.00 44.68 C ATOM 697 CZ2 TRP A 100 42.769 21.093 38.643 1.00 45.54 C ATOM 698 CZ3 TRP A 100 40.903 19.629 38.127 1.00 45.43 C ATOM 699 CH2 TRP A 100 41.432 20.909 38.375 1.00 46.71 C ATOM 0 H TRP A 100 45.194 15.622 40.554 1.00 44.71 H new ATOM 0 HA TRP A 100 42.704 16.144 39.875 1.00 43.41 H new ATOM 0 HB2 TRP A 100 45.037 15.912 38.313 1.00 44.84 H new ATOM 0 HB3 TRP A 100 43.657 16.019 37.595 1.00 44.84 H new ATOM 0 HD1 TRP A 100 46.154 18.186 38.921 1.00 44.80 H new ATOM 0 HE1 TRP A 100 45.469 20.489 39.068 1.00 45.82 H new ATOM 0 HE3 TRP A 100 41.363 17.656 37.980 1.00 44.68 H new ATOM 0 HZ2 TRP A 100 43.116 21.940 38.806 1.00 45.54 H new ATOM 0 HZ3 TRP A 100 39.995 19.536 37.948 1.00 45.43 H new ATOM 0 HH2 TRP A 100 40.866 21.647 38.357 1.00 46.71 H new ATOM 700 N HIS A 101 41.715 14.041 38.980 1.00 37.80 N ATOM 701 CA HIS A 101 41.223 12.734 38.582 1.00 35.69 C ATOM 702 C HIS A 101 40.361 12.825 37.335 1.00 33.51 C ATOM 703 O HIS A 101 39.472 13.655 37.262 1.00 34.12 O ATOM 704 CB HIS A 101 40.403 12.107 39.720 1.00 34.81 C ATOM 705 CG HIS A 101 41.216 11.723 40.915 1.00 33.23 C ATOM 706 ND1 HIS A 101 42.020 10.601 40.944 1.00 35.97 N ATOM 707 CD2 HIS A 101 41.353 12.317 42.124 1.00 32.62 C ATOM 708 CE1 HIS A 101 42.616 10.525 42.121 1.00 33.16 C ATOM 709 NE2 HIS A 101 42.229 11.552 42.853 1.00 34.63 N ATOM 0 H HIS A 101 41.118 14.657 39.047 1.00 37.80 H new ATOM 0 HA HIS A 101 41.993 12.177 38.387 1.00 35.69 H new ATOM 0 HB2 HIS A 101 39.717 12.735 39.995 1.00 34.81 H new ATOM 0 HB3 HIS A 101 39.948 11.319 39.383 1.00 34.81 H new ATOM 0 HD1 HIS A 101 42.117 10.041 40.299 1.00 35.97 H new ATOM 0 HD2 HIS A 101 40.933 13.097 42.407 1.00 32.62 H new ATOM 0 HE1 HIS A 101 43.208 9.860 42.388 1.00 33.16 H new ATOM 710 N GLN A 102 40.636 11.971 36.359 1.00 32.74 N ATOM 711 CA GLN A 102 39.850 11.934 35.140 1.00 35.86 C ATOM 712 C GLN A 102 38.580 11.135 35.449 1.00 34.84 C ATOM 713 O GLN A 102 38.651 10.052 36.030 1.00 33.41 O ATOM 714 CB GLN A 102 40.620 11.242 33.999 1.00 37.96 C ATOM 715 CG GLN A 102 39.740 10.916 32.781 1.00 45.15 C ATOM 716 CD GLN A 102 40.343 9.858 31.830 1.00 51.40 C ATOM 717 OE1 GLN A 102 41.010 8.902 32.264 1.00 53.82 O ATOM 718 NE2 GLN A 102 40.086 10.017 30.531 1.00 51.74 N ATOM 0 H GLN A 102 41.279 11.401 36.386 1.00 32.74 H new ATOM 0 HA GLN A 102 39.647 12.838 34.852 1.00 35.86 H new ATOM 0 HB2 GLN A 102 41.351 11.814 33.718 1.00 37.96 H new ATOM 0 HB3 GLN A 102 41.014 10.421 34.334 1.00 37.96 H new ATOM 0 HG2 GLN A 102 38.877 10.602 33.093 1.00 45.15 H new ATOM 0 HG3 GLN A 102 39.581 11.732 32.282 1.00 45.15 H new ATOM 0 HE21 GLN A 102 39.621 10.689 30.264 1.00 51.74 H new ATOM 0 HE22 GLN A 102 40.385 9.447 29.961 1.00 51.74 H new ATOM 719 N VAL A 103 37.431 11.688 35.069 1.00 33.24 N ATOM 720 CA VAL A 103 36.135 11.042 35.267 1.00 30.27 C ATOM 721 C VAL A 103 35.304 11.076 33.988 1.00 30.96 C ATOM 722 O VAL A 103 35.213 12.123 33.311 1.00 30.86 O ATOM 723 CB VAL A 103 35.302 11.740 36.374 1.00 30.88 C ATOM 724 CG1 VAL A 103 33.919 11.073 36.485 1.00 29.27 C ATOM 725 CG2 VAL A 103 36.038 11.691 37.708 1.00 28.04 C ATOM 0 H VAL A 103 37.381 12.456 34.685 1.00 33.24 H new ATOM 0 HA VAL A 103 36.330 10.128 35.527 1.00 30.27 H new ATOM 0 HB VAL A 103 35.178 12.672 36.136 1.00 30.88 H new ATOM 0 HG11 VAL A 103 33.402 11.513 37.178 1.00 29.27 H new ATOM 0 HG12 VAL A 103 33.454 11.150 35.637 1.00 29.27 H new ATOM 0 HG13 VAL A 103 34.029 10.136 36.710 1.00 29.27 H new ATOM 0 HG21 VAL A 103 35.505 12.131 38.388 1.00 28.04 H new ATOM 0 HG22 VAL A 103 36.187 10.767 37.962 1.00 28.04 H new ATOM 0 HG23 VAL A 103 36.892 12.144 37.624 1.00 28.04 H new ATOM 726 N GLU A 104 34.698 9.935 33.662 1.00 28.93 N ATOM 727 CA GLU A 104 33.825 9.805 32.500 1.00 29.11 C ATOM 728 C GLU A 104 32.521 9.075 32.867 1.00 28.86 C ATOM 729 O GLU A 104 32.550 8.034 33.537 1.00 26.70 O ATOM 730 CB GLU A 104 34.517 9.016 31.382 1.00 32.48 C ATOM 731 CG GLU A 104 35.969 9.392 31.135 1.00 42.12 C ATOM 732 CD GLU A 104 36.573 8.617 29.965 1.00 48.65 C ATOM 733 OE1 GLU A 104 36.172 8.884 28.806 1.00 51.14 O ATOM 734 OE2 GLU A 104 37.440 7.739 30.209 1.00 52.76 O ATOM 0 H GLU A 104 34.784 9.209 34.115 1.00 28.93 H new ATOM 0 HA GLU A 104 33.623 10.703 32.195 1.00 29.11 H new ATOM 0 HB2 GLU A 104 34.474 8.071 31.597 1.00 32.48 H new ATOM 0 HB3 GLU A 104 34.019 9.143 30.559 1.00 32.48 H new ATOM 0 HG2 GLU A 104 36.029 10.344 30.957 1.00 42.12 H new ATOM 0 HG3 GLU A 104 36.487 9.220 31.937 1.00 42.12 H new ATOM 735 N VAL A 105 31.384 9.633 32.450 1.00 26.61 N ATOM 736 CA VAL A 105 30.076 9.025 32.686 1.00 24.82 C ATOM 737 C VAL A 105 29.501 8.808 31.302 1.00 29.35 C ATOM 738 O VAL A 105 29.398 9.761 30.499 1.00 26.58 O ATOM 739 CB VAL A 105 29.153 9.948 33.488 1.00 25.69 C ATOM 740 CG1 VAL A 105 27.835 9.254 33.771 1.00 26.13 C ATOM 741 CG2 VAL A 105 29.830 10.322 34.805 1.00 24.22 C ATOM 0 H VAL A 105 31.351 10.378 32.021 1.00 26.61 H new ATOM 0 HA VAL A 105 30.158 8.207 33.202 1.00 24.82 H new ATOM 0 HB VAL A 105 28.979 10.750 32.971 1.00 25.69 H new ATOM 0 HG11 VAL A 105 27.259 9.847 34.279 1.00 26.13 H new ATOM 0 HG12 VAL A 105 27.404 9.024 32.933 1.00 26.13 H new ATOM 0 HG13 VAL A 105 27.998 8.446 34.282 1.00 26.13 H new ATOM 0 HG21 VAL A 105 29.247 10.907 35.314 1.00 24.22 H new ATOM 0 HG22 VAL A 105 30.008 9.518 35.317 1.00 24.22 H new ATOM 0 HG23 VAL A 105 30.665 10.780 34.621 1.00 24.22 H new ATOM 742 N LYS A 106 29.143 7.562 31.008 1.00 28.93 N ATOM 743 CA LYS A 106 28.634 7.226 29.693 1.00 33.77 C ATOM 744 C LYS A 106 27.411 6.349 29.704 1.00 34.82 C ATOM 745 O LYS A 106 27.173 5.587 30.645 1.00 30.97 O ATOM 746 CB LYS A 106 29.686 6.485 28.876 1.00 35.61 C ATOM 747 CG LYS A 106 31.075 7.023 29.003 1.00 41.36 C ATOM 748 CD LYS A 106 32.057 6.120 28.286 1.00 44.29 C ATOM 749 CE LYS A 106 33.480 6.435 28.712 1.00 48.21 C ATOM 750 NZ LYS A 106 33.904 7.835 28.359 1.00 50.05 N ATOM 0 H LYS A 106 29.188 6.901 31.557 1.00 28.93 H new ATOM 0 HA LYS A 106 28.400 8.084 29.305 1.00 33.77 H new ATOM 0 HB2 LYS A 106 29.688 5.553 29.145 1.00 35.61 H new ATOM 0 HB3 LYS A 106 29.428 6.510 27.941 1.00 35.61 H new ATOM 0 HG2 LYS A 106 31.117 7.918 28.630 1.00 41.36 H new ATOM 0 HG3 LYS A 106 31.316 7.094 29.940 1.00 41.36 H new ATOM 0 HD2 LYS A 106 31.853 5.192 28.482 1.00 44.29 H new ATOM 0 HD3 LYS A 106 31.968 6.234 27.327 1.00 44.29 H new ATOM 0 HE2 LYS A 106 33.560 6.310 29.671 1.00 48.21 H new ATOM 0 HE3 LYS A 106 34.085 5.804 28.292 1.00 48.21 H new ATOM 0 HZ1 LYS A 106 34.742 7.969 28.629 1.00 50.05 H new ATOM 0 HZ2 LYS A 106 33.855 7.947 27.477 1.00 50.05 H new ATOM 0 HZ3 LYS A 106 33.366 8.419 28.762 1.00 50.05 H new ATOM 751 N MET A 107 26.660 6.453 28.617 1.00 34.50 N ATOM 752 CA MET A 107 25.477 5.646 28.416 1.00 38.91 C ATOM 753 C MET A 107 25.891 4.567 27.438 1.00 39.17 C ATOM 754 O MET A 107 26.290 4.876 26.322 1.00 42.01 O ATOM 755 CB MET A 107 24.365 6.489 27.815 1.00 44.54 C ATOM 756 CG MET A 107 23.441 7.058 28.849 1.00 51.08 C ATOM 757 SD MET A 107 22.217 5.817 29.262 1.00 62.26 S ATOM 758 CE MET A 107 20.835 6.391 28.213 1.00 58.74 C ATOM 0 H MET A 107 26.827 6.998 27.973 1.00 34.50 H new ATOM 0 HA MET A 107 25.145 5.277 29.249 1.00 38.91 H new ATOM 0 HB2 MET A 107 24.756 7.214 27.303 1.00 44.54 H new ATOM 0 HB3 MET A 107 23.854 5.947 27.194 1.00 44.54 H new ATOM 0 HG2 MET A 107 23.939 7.317 29.640 1.00 51.08 H new ATOM 0 HG3 MET A 107 23.009 7.858 28.511 1.00 51.08 H new ATOM 0 HE1 MET A 107 20.134 5.721 28.206 1.00 58.74 H new ATOM 0 HE2 MET A 107 20.483 7.223 28.567 1.00 58.74 H new ATOM 0 HE3 MET A 107 21.153 6.534 27.308 1.00 58.74 H new ATOM 759 N GLU A 108 25.825 3.312 27.869 1.00 36.90 N ATOM 760 CA GLU A 108 26.176 2.163 27.036 1.00 37.73 C ATOM 761 C GLU A 108 24.913 1.286 26.966 1.00 35.76 C ATOM 762 O GLU A 108 24.630 0.490 27.870 1.00 34.70 O ATOM 763 CB GLU A 108 27.342 1.402 27.687 1.00 40.34 C ATOM 764 CG GLU A 108 27.789 0.129 26.986 1.00 47.81 C ATOM 765 CD GLU A 108 28.558 0.398 25.707 1.00 50.72 C ATOM 766 OE1 GLU A 108 27.987 0.990 24.771 1.00 55.02 O ATOM 767 OE2 GLU A 108 29.741 0.018 25.639 1.00 54.46 O ATOM 0 H GLU A 108 25.572 3.099 28.663 1.00 36.90 H new ATOM 0 HA GLU A 108 26.460 2.425 26.146 1.00 37.73 H new ATOM 0 HB2 GLU A 108 28.103 2.001 27.745 1.00 40.34 H new ATOM 0 HB3 GLU A 108 27.089 1.177 28.596 1.00 40.34 H new ATOM 0 HG2 GLU A 108 28.345 -0.389 27.589 1.00 47.81 H new ATOM 0 HG3 GLU A 108 27.011 -0.413 26.782 1.00 47.81 H new ATOM 768 N GLY A 109 24.138 1.439 25.902 1.00 33.29 N ATOM 769 CA GLY A 109 22.914 0.668 25.808 1.00 31.23 C ATOM 770 C GLY A 109 21.988 1.102 26.933 1.00 32.53 C ATOM 771 O GLY A 109 21.760 2.301 27.104 1.00 31.55 O ATOM 0 H GLY A 109 24.297 1.968 25.243 1.00 33.29 H new ATOM 0 HA2 GLY A 109 22.490 0.811 24.947 1.00 31.23 H new ATOM 0 HA3 GLY A 109 23.106 -0.280 25.876 1.00 31.23 H new ATOM 772 N ASP A 110 21.471 0.157 27.720 1.00 30.78 N ATOM 773 CA ASP A 110 20.570 0.518 28.810 1.00 33.38 C ATOM 774 C AASP A 110 21.296 0.780 30.123 1.00 33.03 C ATOM 775 O AASP A 110 20.667 0.921 31.179 1.00 34.70 O ATOM 776 CB ASP A 110 19.504 -0.577 29.025 1.00 35.32 C ATOM 777 CG ASP A 110 20.072 -1.866 29.618 1.00 38.86 C ATOM 778 OD1 ASP A 110 19.288 -2.840 29.749 1.00 41.51 O ATOM 779 OD2 ASP A 110 21.278 -1.920 29.963 1.00 41.27 O ATOM 0 H ASP A 110 21.627 -0.685 27.640 1.00 30.78 H new ATOM 0 HA ASP A 110 20.144 1.347 28.541 1.00 33.38 H new ATOM 0 HB2 ASP A 110 18.812 -0.235 29.613 1.00 35.32 H new ATOM 0 HB3 ASP A 110 19.080 -0.778 28.176 1.00 35.32 H new ATOM 780 N ASER A 111 22.622 0.853 30.050 0.50 32.64 N ATOM 781 N BSER A 111 22.614 0.875 30.073 1.00 34.52 N ATOM 782 CA ASER A 111 23.454 1.047 31.233 0.50 32.20 C ATOM 783 CA BSER A 111 23.337 1.117 31.303 1.00 36.21 C ATOM 784 C ASER A 111 24.212 2.378 31.317 0.50 32.19 C ATOM 785 C BSER A 111 24.117 2.425 31.344 1.00 34.95 C ATOM 786 O ASER A 111 24.454 3.041 30.305 0.50 33.59 O ATOM 787 O BSER A 111 24.279 3.119 30.333 1.00 36.73 O ATOM 788 CB ASER A 111 24.470 -0.104 31.336 0.50 30.45 C ATOM 789 CB BSER A 111 24.258 -0.075 31.634 1.00 36.72 C ATOM 790 OG ASER A 111 23.845 -1.379 31.258 0.50 28.30 O ATOM 791 OG BSER A 111 25.336 -0.185 30.740 1.00 41.25 O ATOM 0 H ASER A 111 23.064 0.792 29.315 0.50 34.52 H new ATOM 0 H BSER A 111 23.094 0.805 29.363 1.00 34.52 H new ATOM 0 HA ASER A 111 22.827 1.061 31.973 0.50 36.21 H new ATOM 0 HA BSER A 111 22.654 1.208 31.985 1.00 36.21 H new ATOM 0 HB2ASER A 111 25.123 -0.022 30.624 0.50 36.72 H new ATOM 0 HB2BSER A 111 24.599 0.024 32.537 1.00 36.72 H new ATOM 0 HB3ASER A 111 24.953 -0.033 32.174 0.50 36.72 H new ATOM 0 HB3BSER A 111 23.740 -0.895 31.615 1.00 36.72 H new ATOM 0 HG ASER A 111 23.130 -1.314 30.822 0.50 41.25 H new ATOM 0 HG BSER A 111 25.079 0.012 29.965 1.00 41.25 H new ATOM 792 N VAL A 112 24.577 2.759 32.539 1.00 31.44 N ATOM 793 CA VAL A 112 25.346 3.968 32.770 1.00 28.38 C ATOM 794 C VAL A 112 26.656 3.476 33.343 1.00 27.40 C ATOM 795 O VAL A 112 26.665 2.710 34.311 1.00 26.04 O ATOM 796 CB VAL A 112 24.661 4.884 33.783 1.00 29.54 C ATOM 797 CG1 VAL A 112 25.601 6.024 34.174 1.00 28.99 C ATOM 798 CG2 VAL A 112 23.381 5.423 33.189 1.00 25.94 C ATOM 0 H AVAL A 112 24.384 2.321 33.254 0.50 31.44 H new ATOM 0 H BVAL A 112 24.450 2.285 33.245 1.00 31.44 H new ATOM 0 HA VAL A 112 25.449 4.484 31.955 1.00 28.38 H new ATOM 0 HB VAL A 112 24.445 4.381 34.584 1.00 29.54 H new ATOM 0 HG11 VAL A 112 25.160 6.601 34.817 1.00 28.99 H new ATOM 0 HG12 VAL A 112 26.408 5.658 34.569 1.00 28.99 H new ATOM 0 HG13 VAL A 112 25.833 6.538 33.385 1.00 28.99 H new ATOM 0 HG21 VAL A 112 22.946 6.005 33.832 1.00 25.94 H new ATOM 0 HG22 VAL A 112 23.584 5.925 32.384 1.00 25.94 H new ATOM 0 HG23 VAL A 112 22.790 4.686 32.969 1.00 25.94 H new ATOM 799 N LEU A 113 27.752 3.890 32.726 1.00 24.82 N ATOM 800 CA LEU A 113 29.085 3.495 33.140 1.00 27.36 C ATOM 801 C LEU A 113 29.831 4.662 33.731 1.00 26.49 C ATOM 802 O LEU A 113 29.708 5.791 33.251 1.00 26.91 O ATOM 803 CB LEU A 113 29.908 2.994 31.949 1.00 28.98 C ATOM 804 CG LEU A 113 29.550 1.657 31.307 1.00 35.24 C ATOM 805 CD1 LEU A 113 28.098 1.673 30.812 1.00 34.10 C ATOM 806 CD2 LEU A 113 30.533 1.402 30.144 1.00 37.62 C ATOM 0 H LEU A 113 27.741 4.416 32.045 1.00 24.82 H new ATOM 0 HA LEU A 113 28.974 2.790 33.797 1.00 27.36 H new ATOM 0 HB2 LEU A 113 29.862 3.672 31.257 1.00 28.98 H new ATOM 0 HB3 LEU A 113 30.834 2.942 32.235 1.00 28.98 H new ATOM 0 HG LEU A 113 29.625 0.941 31.957 1.00 35.24 H new ATOM 0 HD11 LEU A 113 27.885 0.818 30.407 1.00 34.10 H new ATOM 0 HD12 LEU A 113 27.502 1.833 31.561 1.00 34.10 H new ATOM 0 HD13 LEU A 113 27.988 2.378 30.155 1.00 34.10 H new ATOM 0 HD21 LEU A 113 30.322 0.555 29.722 1.00 37.62 H new ATOM 0 HD22 LEU A 113 30.456 2.116 29.492 1.00 37.62 H new ATOM 0 HD23 LEU A 113 31.440 1.375 30.487 1.00 37.62 H new ATOM 807 N LEU A 114 30.627 4.379 34.751 1.00 24.55 N ATOM 808 CA LEU A 114 31.432 5.394 35.392 1.00 24.36 C ATOM 809 C LEU A 114 32.847 4.899 35.346 1.00 25.39 C ATOM 810 O LEU A 114 33.141 3.792 35.824 1.00 24.98 O ATOM 811 CB LEU A 114 31.012 5.594 36.849 1.00 24.91 C ATOM 812 CG LEU A 114 31.931 6.511 37.657 1.00 22.25 C ATOM 813 CD1 LEU A 114 31.739 7.975 37.170 1.00 23.45 C ATOM 814 CD2 LEU A 114 31.594 6.406 39.133 1.00 24.03 C ATOM 0 H LEU A 114 30.713 3.593 35.088 1.00 24.55 H new ATOM 0 HA LEU A 114 31.326 6.246 34.940 1.00 24.36 H new ATOM 0 HB2 LEU A 114 30.114 5.959 36.867 1.00 24.91 H new ATOM 0 HB3 LEU A 114 30.975 4.728 37.284 1.00 24.91 H new ATOM 0 HG LEU A 114 32.855 6.245 37.529 1.00 22.25 H new ATOM 0 HD11 LEU A 114 32.319 8.564 37.678 1.00 23.45 H new ATOM 0 HD12 LEU A 114 31.963 8.035 36.228 1.00 23.45 H new ATOM 0 HD13 LEU A 114 30.815 8.241 37.300 1.00 23.45 H new ATOM 0 HD21 LEU A 114 32.179 6.989 39.641 1.00 24.03 H new ATOM 0 HD22 LEU A 114 30.672 6.671 39.274 1.00 24.03 H new ATOM 0 HD23 LEU A 114 31.715 5.490 39.428 1.00 24.03 H new ATOM 815 N GLU A 115 33.732 5.704 34.766 1.00 26.40 N ATOM 816 CA GLU A 115 35.141 5.350 34.680 1.00 28.07 C ATOM 817 C GLU A 115 35.934 6.409 35.429 1.00 29.52 C ATOM 818 O GLU A 115 35.654 7.606 35.299 1.00 31.17 O ATOM 819 CB GLU A 115 35.608 5.310 33.217 1.00 30.96 C ATOM 820 CG GLU A 115 34.943 4.228 32.366 1.00 40.40 C ATOM 821 CD GLU A 115 35.488 4.157 30.934 1.00 46.07 C ATOM 822 OE1 GLU A 115 35.543 5.209 30.263 1.00 48.90 O ATOM 823 OE2 GLU A 115 35.855 3.048 30.479 1.00 51.17 O ATOM 0 H GLU A 115 33.534 6.464 34.415 1.00 26.40 H new ATOM 0 HA GLU A 115 35.278 4.471 35.066 1.00 28.07 H new ATOM 0 HB2 GLU A 115 35.437 6.174 32.811 1.00 30.96 H new ATOM 0 HB3 GLU A 115 36.568 5.174 33.200 1.00 30.96 H new ATOM 0 HG2 GLU A 115 35.067 3.367 32.795 1.00 40.40 H new ATOM 0 HG3 GLU A 115 33.988 4.393 32.333 1.00 40.40 H new ATOM 824 N VAL A 116 36.929 5.977 36.201 1.00 29.57 N ATOM 825 CA VAL A 116 37.758 6.890 36.965 1.00 31.34 C ATOM 826 C VAL A 116 39.210 6.581 36.662 1.00 34.24 C ATOM 827 O VAL A 116 39.635 5.410 36.694 1.00 33.14 O ATOM 828 CB VAL A 116 37.509 6.761 38.486 1.00 30.78 C ATOM 829 CG1 VAL A 116 38.419 7.720 39.250 1.00 31.48 C ATOM 830 CG2 VAL A 116 36.043 7.080 38.803 1.00 29.25 C ATOM 0 H VAL A 116 37.138 5.148 36.293 1.00 29.57 H new ATOM 0 HA VAL A 116 37.534 7.799 36.710 1.00 31.34 H new ATOM 0 HB VAL A 116 37.706 5.851 38.759 1.00 30.78 H new ATOM 0 HG11 VAL A 116 38.256 7.632 40.202 1.00 31.48 H new ATOM 0 HG12 VAL A 116 39.346 7.507 39.060 1.00 31.48 H new ATOM 0 HG13 VAL A 116 38.234 8.631 38.974 1.00 31.48 H new ATOM 0 HG21 VAL A 116 35.893 6.998 39.758 1.00 29.25 H new ATOM 0 HG22 VAL A 116 35.841 7.986 38.521 1.00 29.25 H new ATOM 0 HG23 VAL A 116 35.467 6.459 38.331 1.00 29.25 H new ATOM 831 N ASP A 117 39.960 7.639 36.359 1.00 35.20 N ATOM 832 CA ASP A 117 41.379 7.531 36.016 1.00 36.79 C ATOM 833 C ASP A 117 41.648 6.396 35.055 1.00 37.48 C ATOM 834 O ASP A 117 42.589 5.619 35.235 1.00 38.63 O ATOM 835 CB ASP A 117 42.210 7.370 37.283 1.00 40.48 C ATOM 836 CG ASP A 117 42.250 8.641 38.087 1.00 42.28 C ATOM 837 OD1 ASP A 117 42.532 8.609 39.306 1.00 44.36 O ATOM 838 OD2 ASP A 117 41.993 9.693 37.469 1.00 45.96 O ATOM 0 H ASP A 117 39.659 8.444 36.346 1.00 35.20 H new ATOM 0 HA ASP A 117 41.637 8.351 35.566 1.00 36.79 H new ATOM 0 HB2 ASP A 117 41.840 6.656 37.825 1.00 40.48 H new ATOM 0 HB3 ASP A 117 43.113 7.108 37.047 1.00 40.48 H new ATOM 839 N GLY A 118 40.802 6.300 34.035 1.00 35.79 N ATOM 840 CA GLY A 118 40.967 5.263 33.043 1.00 37.26 C ATOM 841 C GLY A 118 40.367 3.903 33.371 1.00 38.67 C ATOM 842 O GLY A 118 40.297 3.045 32.492 1.00 39.16 O ATOM 0 H GLY A 118 40.133 6.824 33.905 1.00 35.79 H new ATOM 0 HA2 GLY A 118 40.576 5.574 32.212 1.00 37.26 H new ATOM 0 HA3 GLY A 118 41.916 5.145 32.883 1.00 37.26 H new ATOM 843 N GLU A 119 39.924 3.677 34.607 1.00 37.01 N ATOM 844 CA GLU A 119 39.361 2.359 34.924 1.00 36.16 C ATOM 845 C GLU A 119 37.851 2.379 35.161 1.00 33.90 C ATOM 846 O GLU A 119 37.329 3.266 35.823 1.00 31.13 O ATOM 847 CB GLU A 119 40.055 1.777 36.156 1.00 37.84 C ATOM 848 CG GLU A 119 41.594 1.777 36.068 1.00 46.78 C ATOM 849 CD GLU A 119 42.176 0.544 35.358 1.00 51.20 C ATOM 850 OE1 GLU A 119 43.412 0.514 35.140 1.00 53.38 O ATOM 851 OE2 GLU A 119 41.406 -0.394 35.029 1.00 52.95 O ATOM 0 H GLU A 119 39.937 4.244 35.253 1.00 37.01 H new ATOM 0 HA GLU A 119 39.518 1.804 34.144 1.00 36.16 H new ATOM 0 HB2 GLU A 119 39.785 2.284 36.938 1.00 37.84 H new ATOM 0 HB3 GLU A 119 39.748 0.867 36.289 1.00 37.84 H new ATOM 0 HG2 GLU A 119 41.883 2.576 35.599 1.00 46.78 H new ATOM 0 HG3 GLU A 119 41.961 1.826 36.965 1.00 46.78 H new ATOM 852 N GLU A 120 37.151 1.392 34.617 1.00 34.24 N ATOM 853 CA GLU A 120 35.713 1.287 34.829 1.00 34.23 C ATOM 854 C GLU A 120 35.528 0.845 36.283 1.00 33.76 C ATOM 855 O GLU A 120 36.023 -0.211 36.680 1.00 34.66 O ATOM 856 CB GLU A 120 35.111 0.229 33.912 1.00 36.69 C ATOM 857 CG GLU A 120 33.604 0.022 34.132 1.00 43.52 C ATOM 858 CD GLU A 120 32.975 -0.976 33.157 1.00 47.18 C ATOM 859 OE1 GLU A 120 33.564 -1.219 32.078 1.00 49.13 O ATOM 860 OE2 GLU A 120 31.878 -1.505 33.466 1.00 49.22 O ATOM 0 H GLU A 120 37.488 0.774 34.123 1.00 34.24 H new ATOM 0 HA GLU A 120 35.276 2.132 34.641 1.00 34.23 H new ATOM 0 HB2 GLU A 120 35.265 0.484 32.989 1.00 36.69 H new ATOM 0 HB3 GLU A 120 35.571 -0.613 34.054 1.00 36.69 H new ATOM 0 HG2 GLU A 120 33.457 -0.287 35.040 1.00 43.52 H new ATOM 0 HG3 GLU A 120 33.152 0.876 34.046 1.00 43.52 H new ATOM 861 N VAL A 121 34.820 1.639 37.076 1.00 30.32 N ATOM 862 CA VAL A 121 34.611 1.286 38.464 1.00 29.30 C ATOM 863 C VAL A 121 33.157 0.976 38.769 1.00 27.08 C ATOM 864 O VAL A 121 32.830 0.479 39.837 1.00 26.28 O ATOM 865 CB VAL A 121 35.103 2.421 39.413 1.00 29.17 C ATOM 866 CG1 VAL A 121 36.559 2.668 39.176 1.00 27.75 C ATOM 867 CG2 VAL A 121 34.302 3.690 39.208 1.00 28.96 C ATOM 0 H VAL A 121 34.457 2.379 36.830 1.00 30.32 H new ATOM 0 HA VAL A 121 35.132 0.483 38.620 1.00 29.30 H new ATOM 0 HB VAL A 121 34.972 2.141 40.332 1.00 29.17 H new ATOM 0 HG11 VAL A 121 36.868 3.374 39.765 1.00 27.75 H new ATOM 0 HG12 VAL A 121 37.059 1.856 39.355 1.00 27.75 H new ATOM 0 HG13 VAL A 121 36.696 2.934 38.253 1.00 27.75 H new ATOM 0 HG21 VAL A 121 34.627 4.379 39.809 1.00 28.96 H new ATOM 0 HG22 VAL A 121 34.399 3.990 38.291 1.00 28.96 H new ATOM 0 HG23 VAL A 121 33.366 3.516 39.393 1.00 28.96 H new ATOM 868 N LEU A 122 32.280 1.248 37.815 1.00 26.04 N ATOM 869 CA LEU A 122 30.875 1.008 38.066 1.00 23.79 C ATOM 870 C LEU A 122 29.999 1.015 36.828 1.00 25.49 C ATOM 871 O LEU A 122 30.110 1.911 35.967 1.00 22.38 O ATOM 872 CB LEU A 122 30.350 2.069 39.037 1.00 21.78 C ATOM 873 CG LEU A 122 28.842 2.020 39.317 1.00 24.29 C ATOM 874 CD1 LEU A 122 28.517 0.838 40.280 1.00 18.11 C ATOM 875 CD2 LEU A 122 28.391 3.344 39.928 1.00 23.50 C ATOM 0 H LEU A 122 32.472 1.563 37.038 1.00 26.04 H new ATOM 0 HA LEU A 122 30.823 0.112 38.435 1.00 23.79 H new ATOM 0 HB2 LEU A 122 30.823 1.977 39.879 1.00 21.78 H new ATOM 0 HB3 LEU A 122 30.569 2.945 38.683 1.00 21.78 H new ATOM 0 HG LEU A 122 28.365 1.879 38.484 1.00 24.29 H new ATOM 0 HD11 LEU A 122 27.563 0.814 40.452 1.00 18.11 H new ATOM 0 HD12 LEU A 122 28.793 0.002 39.872 1.00 18.11 H new ATOM 0 HD13 LEU A 122 28.993 0.961 41.116 1.00 18.11 H new ATOM 0 HD21 LEU A 122 27.438 3.311 40.104 1.00 23.50 H new ATOM 0 HD22 LEU A 122 28.868 3.496 40.759 1.00 23.50 H new ATOM 0 HD23 LEU A 122 28.580 4.067 39.310 1.00 23.50 H new ATOM 876 N AARG A 123 29.128 0.016 36.737 0.50 23.56 N ATOM 877 N BARG A 123 29.129 0.015 36.728 0.50 22.92 N ATOM 878 CA AARG A 123 28.192 -0.077 35.628 0.50 25.14 C ATOM 879 CA BARG A 123 28.191 -0.063 35.617 0.50 24.06 C ATOM 880 C AARG A 123 26.800 -0.349 36.176 0.50 25.23 C ATOM 881 C BARG A 123 26.802 -0.349 36.164 0.50 24.59 C ATOM 882 O AARG A 123 26.538 -1.416 36.747 0.50 24.69 O ATOM 883 O BARG A 123 26.545 -1.423 36.724 0.50 24.17 O ATOM 884 CB AARG A 123 28.595 -1.186 34.650 0.50 27.21 C ATOM 885 CB BARG A 123 28.591 -1.148 34.608 0.50 24.86 C ATOM 886 CG AARG A 123 27.607 -1.364 33.501 0.50 30.55 C ATOM 887 CG BARG A 123 27.629 -1.245 33.420 0.50 26.09 C ATOM 888 CD AARG A 123 28.157 -2.284 32.418 0.50 32.90 C ATOM 889 CD BARG A 123 28.192 -2.101 32.287 0.50 27.00 C ATOM 890 NE AARG A 123 29.377 -1.743 31.823 0.50 35.93 N ATOM 891 NE BARG A 123 27.282 -2.156 31.143 0.50 26.71 N ATOM 892 CZ AARG A 123 29.986 -2.251 30.757 0.50 36.00 C ATOM 893 CZ BARG A 123 27.600 -2.644 29.947 0.50 28.36 C ATOM 894 NH1AARG A 123 29.495 -3.327 30.149 0.50 36.05 N ATOM 895 NH1BARG A 123 28.817 -3.123 29.719 0.50 27.48 N ATOM 896 NH2AARG A 123 31.094 -1.686 30.302 0.50 36.82 N ATOM 897 NH2BARG A 123 26.690 -2.673 28.979 0.50 27.91 N ATOM 0 H AARG A 123 29.064 -0.621 37.312 0.50 22.92 H new ATOM 0 H BARG A 123 29.067 -0.629 37.295 0.50 22.92 H new ATOM 0 HA AARG A 123 28.201 0.763 35.142 0.50 24.06 H new ATOM 0 HA BARG A 123 28.200 0.786 35.148 0.50 24.06 H new ATOM 0 HB2AARG A 123 29.472 -0.986 34.287 0.50 24.86 H new ATOM 0 HB2BARG A 123 29.485 -0.963 34.280 0.50 24.86 H new ATOM 0 HB3AARG A 123 28.673 -2.023 35.134 0.50 24.86 H new ATOM 0 HB3BARG A 123 28.626 -2.006 35.060 0.50 24.86 H new ATOM 0 HG2AARG A 123 26.776 -1.728 33.843 0.50 26.09 H new ATOM 0 HG2BARG A 123 26.786 -1.621 33.719 0.50 26.09 H new ATOM 0 HG3AARG A 123 27.400 -0.498 33.115 0.50 26.09 H new ATOM 0 HG3BARG A 123 27.440 -0.354 33.086 0.50 26.09 H new ATOM 0 HD2AARG A 123 28.341 -3.158 32.797 0.50 27.00 H new ATOM 0 HD2BARG A 123 29.047 -1.740 32.003 0.50 27.00 H new ATOM 0 HD3AARG A 123 27.487 -2.409 31.728 0.50 27.00 H new ATOM 0 HD3BARG A 123 28.357 -3.000 32.612 0.50 27.00 H new ATOM 0 HE AARG A 123 29.725 -1.047 32.189 0.50 26.71 H new ATOM 0 HE BARG A 123 26.485 -1.851 31.251 0.50 26.71 H new ATOM 0 HH11AARG A 123 28.778 -3.699 30.445 0.50 27.48 H new ATOM 0 HH11BARG A 123 29.405 -3.119 30.346 0.50 27.48 H new ATOM 0 HH12AARG A 123 29.894 -3.651 29.459 0.50 27.48 H new ATOM 0 HH12BARG A 123 29.017 -3.437 28.944 0.50 27.48 H new ATOM 0 HH21AARG A 123 31.417 -0.993 30.696 0.50 27.91 H new ATOM 0 HH21BARG A 123 25.896 -2.376 29.126 0.50 27.91 H new ATOM 0 HH22AARG A 123 31.491 -2.012 29.612 0.50 27.91 H new ATOM 0 HH22BARG A 123 26.895 -2.988 28.206 0.50 27.91 H new ATOM 898 N LEU A 124 25.918 0.634 36.031 1.00 22.54 N ATOM 899 CA LEU A 124 24.545 0.504 36.490 1.00 22.89 C ATOM 900 C LEU A 124 23.758 0.020 35.266 1.00 24.80 C ATOM 901 O LEU A 124 23.536 0.768 34.297 1.00 24.18 O ATOM 902 CB LEU A 124 24.022 1.856 36.976 1.00 21.35 C ATOM 903 CG LEU A 124 24.838 2.494 38.125 1.00 22.40 C ATOM 904 CD1 LEU A 124 24.260 3.879 38.454 1.00 22.06 C ATOM 905 CD2 LEU A 124 24.787 1.585 39.399 1.00 18.82 C ATOM 0 H ALEU A 124 26.099 1.391 35.665 0.50 22.54 H new ATOM 0 H BLEU A 124 26.099 1.394 35.672 0.50 22.54 H new ATOM 0 HA LEU A 124 24.461 -0.112 37.235 1.00 22.89 H new ATOM 0 HB2 LEU A 124 24.008 2.471 36.226 1.00 21.35 H new ATOM 0 HB3 LEU A 124 23.104 1.746 37.270 1.00 21.35 H new ATOM 0 HG LEU A 124 25.762 2.584 37.844 1.00 22.40 H new ATOM 0 HD11 LEU A 124 24.771 4.280 39.174 1.00 22.06 H new ATOM 0 HD12 LEU A 124 24.310 4.446 37.668 1.00 22.06 H new ATOM 0 HD13 LEU A 124 23.334 3.787 38.727 1.00 22.06 H new ATOM 0 HD21 LEU A 124 25.302 1.996 40.111 1.00 18.82 H new ATOM 0 HD22 LEU A 124 23.866 1.480 39.685 1.00 18.82 H new ATOM 0 HD23 LEU A 124 25.161 0.715 39.191 1.00 18.82 H new ATOM 906 N ARG A 125 23.370 -1.245 35.294 1.00 25.22 N ATOM 907 CA ARG A 125 22.655 -1.842 34.181 1.00 25.42 C ATOM 908 C ARG A 125 21.156 -1.742 34.302 1.00 25.80 C ATOM 909 O ARG A 125 20.620 -1.625 35.404 1.00 26.54 O ATOM 910 CB ARG A 125 23.060 -3.305 34.009 1.00 26.36 C ATOM 911 CG ARG A 125 24.527 -3.509 33.714 1.00 25.43 C ATOM 912 CD ARG A 125 24.790 -4.985 33.439 1.00 28.04 C ATOM 913 NE ARG A 125 26.191 -5.310 33.172 1.00 29.98 N ATOM 914 CZ ARG A 125 26.708 -5.471 31.958 1.00 32.05 C ATOM 915 NH1 ARG A 125 25.946 -5.326 30.890 1.00 33.50 N ATOM 916 NH2 ARG A 125 27.982 -5.808 31.819 1.00 34.12 N ATOM 0 H ARG A 125 23.512 -1.778 35.954 1.00 25.22 H new ATOM 0 HA ARG A 125 22.908 -1.330 33.397 1.00 25.42 H new ATOM 0 HB2 ARG A 125 22.832 -3.791 34.817 1.00 26.36 H new ATOM 0 HB3 ARG A 125 22.538 -3.692 33.289 1.00 26.36 H new ATOM 0 HG2 ARG A 125 24.790 -2.975 32.948 1.00 25.43 H new ATOM 0 HG3 ARG A 125 25.063 -3.210 34.465 1.00 25.43 H new ATOM 0 HD2 ARG A 125 24.489 -5.503 34.202 1.00 28.04 H new ATOM 0 HD3 ARG A 125 24.255 -5.261 32.679 1.00 28.04 H new ATOM 0 HE ARG A 125 26.716 -5.403 33.847 1.00 29.98 H new ATOM 0 HH11 ARG A 125 25.114 -5.127 30.979 1.00 33.50 H new ATOM 0 HH12 ARG A 125 26.281 -5.430 30.105 1.00 33.50 H new ATOM 0 HH21 ARG A 125 28.475 -5.923 32.514 1.00 34.12 H new ATOM 0 HH22 ARG A 125 28.316 -5.912 31.033 1.00 34.12 H new ATOM 917 N GLN A 126 20.482 -1.769 33.147 1.00 25.40 N ATOM 918 CA GLN A 126 19.027 -1.685 33.079 1.00 25.19 C ATOM 919 C GLN A 126 18.443 -0.433 33.750 1.00 27.67 C ATOM 920 O GLN A 126 17.382 -0.496 34.373 1.00 26.57 O ATOM 921 CB GLN A 126 18.396 -2.967 33.679 1.00 29.00 C ATOM 922 CG GLN A 126 18.843 -4.253 32.952 1.00 30.61 C ATOM 923 CD GLN A 126 18.382 -5.550 33.628 1.00 34.03 C ATOM 924 OE1 GLN A 126 18.777 -5.856 34.758 1.00 30.86 O ATOM 925 NE2 GLN A 126 17.552 -6.323 32.922 1.00 32.01 N ATOM 0 H GLN A 126 20.863 -1.837 32.379 1.00 25.40 H new ATOM 0 HA GLN A 126 18.800 -1.610 32.139 1.00 25.19 H new ATOM 0 HB2 GLN A 126 18.635 -3.031 34.617 1.00 29.00 H new ATOM 0 HB3 GLN A 126 17.429 -2.896 33.637 1.00 29.00 H new ATOM 0 HG2 GLN A 126 18.502 -4.234 32.044 1.00 30.61 H new ATOM 0 HG3 GLN A 126 19.811 -4.258 32.891 1.00 30.61 H new ATOM 0 HE21 GLN A 126 17.298 -6.077 32.138 1.00 32.01 H new ATOM 0 HE22 GLN A 126 17.272 -7.066 33.252 1.00 32.01 H new ATOM 926 N VAL A 127 19.106 0.715 33.595 1.00 27.12 N ATOM 927 CA VAL A 127 18.612 1.939 34.225 1.00 31.15 C ATOM 928 C VAL A 127 17.986 2.956 33.264 1.00 36.21 C ATOM 929 O VAL A 127 17.382 3.925 33.701 1.00 37.58 O ATOM 930 CB VAL A 127 19.736 2.662 35.032 1.00 29.55 C ATOM 931 CG1 VAL A 127 20.229 1.745 36.147 1.00 28.06 C ATOM 932 CG2 VAL A 127 20.886 3.046 34.111 1.00 26.36 C ATOM 0 H VAL A 127 19.829 0.805 33.138 1.00 27.12 H new ATOM 0 HA VAL A 127 17.907 1.624 34.812 1.00 31.15 H new ATOM 0 HB VAL A 127 19.377 3.474 35.423 1.00 29.55 H new ATOM 0 HG11 VAL A 127 20.928 2.193 36.649 1.00 28.06 H new ATOM 0 HG12 VAL A 127 19.492 1.531 36.740 1.00 28.06 H new ATOM 0 HG13 VAL A 127 20.582 0.928 35.762 1.00 28.06 H new ATOM 0 HG21 VAL A 127 21.576 3.494 34.625 1.00 26.36 H new ATOM 0 HG22 VAL A 127 21.254 2.247 33.702 1.00 26.36 H new ATOM 0 HG23 VAL A 127 20.561 3.642 33.418 1.00 26.36 H new ATOM 933 N SER A 128 18.111 2.732 31.966 1.00 40.81 N ATOM 934 CA SER A 128 17.537 3.676 31.016 1.00 47.88 C ATOM 935 C SER A 128 17.058 3.034 29.725 1.00 50.55 C ATOM 936 O SER A 128 17.790 2.280 29.085 1.00 49.42 O ATOM 937 CB SER A 128 18.561 4.765 30.693 1.00 48.19 C ATOM 938 OG SER A 128 19.791 4.182 30.302 1.00 50.78 O ATOM 0 H SER A 128 18.514 2.057 31.618 1.00 40.81 H new ATOM 0 HA SER A 128 16.752 4.052 31.445 1.00 47.88 H new ATOM 0 HB2 SER A 128 18.225 5.333 29.982 1.00 48.19 H new ATOM 0 HB3 SER A 128 18.696 5.331 31.469 1.00 48.19 H new ATOM 0 HG SER A 128 20.380 4.779 30.248 1.00 50.78 H new ATOM 939 N GLY A 129 15.825 3.358 29.346 1.00 55.68 N ATOM 940 CA GLY A 129 15.246 2.823 28.127 1.00 61.69 C ATOM 941 C GLY A 129 15.361 3.842 27.011 1.00 66.62 C ATOM 942 O GLY A 129 16.316 4.627 27.008 1.00 67.46 O ATOM 0 H GLY A 129 15.309 3.888 29.785 1.00 55.68 H new ATOM 0 HA2 GLY A 129 15.701 2.004 27.876 1.00 61.69 H new ATOM 0 HA3 GLY A 129 14.314 2.597 28.274 1.00 61.69 H new ATOM 943 N PRO A 130 14.398 3.875 26.066 1.00 69.61 N ATOM 944 CA PRO A 130 14.387 4.806 24.931 1.00 71.96 C ATOM 945 C PRO A 130 15.199 6.078 25.168 1.00 73.87 C ATOM 946 O PRO A 130 14.893 6.860 26.070 1.00 73.92 O ATOM 947 CB PRO A 130 12.900 5.082 24.746 1.00 71.71 C ATOM 948 CG PRO A 130 12.316 3.732 24.989 1.00 70.82 C ATOM 949 CD PRO A 130 13.073 3.239 26.217 1.00 70.47 C ATOM 0 HA PRO A 130 14.814 4.435 24.143 1.00 71.96 H new ATOM 0 HB2 PRO A 130 12.570 5.742 25.376 1.00 71.71 H new ATOM 0 HB3 PRO A 130 12.698 5.413 23.857 1.00 71.71 H new ATOM 0 HG2 PRO A 130 11.361 3.779 25.152 1.00 70.82 H new ATOM 0 HG3 PRO A 130 12.445 3.144 24.229 1.00 70.82 H new ATOM 0 HD2 PRO A 130 12.637 3.509 27.040 1.00 70.47 H new ATOM 0 HD3 PRO A 130 13.139 2.271 26.234 1.00 70.47 H new ATOM 950 N LEU A 131 16.233 6.268 24.349 1.00 75.91 N ATOM 951 CA LEU A 131 17.123 7.426 24.447 1.00 77.43 C ATOM 952 C LEU A 131 18.029 7.253 25.662 1.00 77.69 C ATOM 953 O LEU A 131 17.993 6.218 26.332 1.00 77.83 O ATOM 954 CB LEU A 131 16.314 8.730 24.571 1.00 79.29 C ATOM 955 CG LEU A 131 17.014 10.103 24.535 1.00 80.41 C ATOM 956 CD1 LEU A 131 17.959 10.263 25.724 1.00 80.69 C ATOM 957 CD2 LEU A 131 17.771 10.257 23.223 1.00 81.12 C ATOM 0 H LEU A 131 16.440 5.724 23.716 1.00 75.91 H new ATOM 0 HA LEU A 131 17.660 7.483 23.641 1.00 77.43 H new ATOM 0 HB2 LEU A 131 15.658 8.727 23.857 1.00 79.29 H new ATOM 0 HB3 LEU A 131 15.824 8.682 25.407 1.00 79.29 H new ATOM 0 HG LEU A 131 16.341 10.799 24.596 1.00 80.41 H new ATOM 0 HD11 LEU A 131 18.388 11.132 25.682 1.00 80.69 H new ATOM 0 HD12 LEU A 131 17.455 10.191 26.550 1.00 80.69 H new ATOM 0 HD13 LEU A 131 18.635 9.568 25.696 1.00 80.69 H new ATOM 0 HD21 LEU A 131 18.211 11.121 23.202 1.00 81.12 H new ATOM 0 HD22 LEU A 131 18.436 9.555 23.148 1.00 81.12 H new ATOM 0 HD23 LEU A 131 17.149 10.193 22.481 1.00 81.12 H new ATOM 958 N HIS A 136 9.836 13.898 26.894 1.00 56.48 N ATOM 959 CA HIS A 136 11.198 14.162 27.353 1.00 55.75 C ATOM 960 C HIS A 136 11.956 14.905 26.255 1.00 53.61 C ATOM 961 O HIS A 136 12.867 14.365 25.633 1.00 54.31 O ATOM 962 CB HIS A 136 11.917 12.845 27.670 1.00 57.46 C ATOM 963 CG HIS A 136 11.113 11.906 28.512 1.00 59.18 C ATOM 964 ND1 HIS A 136 10.022 11.219 28.024 1.00 58.75 N ATOM 965 CD2 HIS A 136 11.236 11.545 29.812 1.00 59.09 C ATOM 966 CE1 HIS A 136 9.509 10.472 28.985 1.00 59.24 C ATOM 967 NE2 HIS A 136 10.227 10.651 30.080 1.00 60.09 N ATOM 0 HA HIS A 136 11.166 14.701 28.159 1.00 55.75 H new ATOM 0 HB2 HIS A 136 12.147 12.403 26.838 1.00 57.46 H new ATOM 0 HB3 HIS A 136 12.750 13.043 28.126 1.00 57.46 H new ATOM 0 HD1 HIS A 136 9.722 11.269 27.219 1.00 58.75 H new ATOM 0 HD2 HIS A 136 11.881 11.845 30.410 1.00 59.09 H new ATOM 0 HE1 HIS A 136 8.769 9.915 28.905 1.00 59.24 H new ATOM 968 N PRO A 137 11.595 16.163 26.011 1.00 50.86 N ATOM 969 CA PRO A 137 12.285 16.914 24.963 1.00 49.16 C ATOM 970 C PRO A 137 13.617 17.555 25.389 1.00 45.78 C ATOM 971 O PRO A 137 14.504 17.762 24.561 1.00 44.51 O ATOM 972 CB PRO A 137 11.243 17.955 24.576 1.00 49.78 C ATOM 973 CG PRO A 137 10.658 18.306 25.912 1.00 51.17 C ATOM 974 CD PRO A 137 10.502 16.956 26.603 1.00 51.19 C ATOM 0 HA PRO A 137 12.570 16.338 24.237 1.00 49.16 H new ATOM 0 HB2 PRO A 137 11.641 18.724 24.138 1.00 49.78 H new ATOM 0 HB3 PRO A 137 10.577 17.596 23.969 1.00 49.78 H new ATOM 0 HG2 PRO A 137 11.242 18.897 26.413 1.00 51.17 H new ATOM 0 HG3 PRO A 137 9.806 18.760 25.820 1.00 51.17 H new ATOM 0 HD2 PRO A 137 10.592 17.031 27.566 1.00 51.19 H new ATOM 0 HD3 PRO A 137 9.634 16.560 26.429 1.00 51.19 H new ATOM 975 N ILE A 138 13.754 17.853 26.676 1.00 42.66 N ATOM 976 CA ILE A 138 14.956 18.515 27.170 1.00 41.54 C ATOM 977 C ILE A 138 15.667 17.881 28.365 1.00 39.89 C ATOM 978 O ILE A 138 15.028 17.333 29.265 1.00 40.47 O ATOM 979 CB ILE A 138 14.630 19.965 27.571 1.00 41.87 C ATOM 980 CG1 ILE A 138 14.011 20.711 26.389 1.00 43.49 C ATOM 981 CG2 ILE A 138 15.883 20.672 28.029 1.00 44.61 C ATOM 982 CD1 ILE A 138 13.399 22.036 26.778 1.00 43.87 C ATOM 0 H ILE A 138 13.165 17.681 27.278 1.00 42.66 H new ATOM 0 HA ILE A 138 15.565 18.437 26.419 1.00 41.54 H new ATOM 0 HB ILE A 138 13.993 19.951 28.302 1.00 41.87 H new ATOM 0 HG12 ILE A 138 14.693 20.861 25.716 1.00 43.49 H new ATOM 0 HG13 ILE A 138 13.329 20.153 25.983 1.00 43.49 H new ATOM 0 HG21 ILE A 138 15.667 21.584 28.279 1.00 44.61 H new ATOM 0 HG22 ILE A 138 16.256 20.207 28.794 1.00 44.61 H new ATOM 0 HG23 ILE A 138 16.532 20.680 27.308 1.00 44.61 H new ATOM 0 HD11 ILE A 138 13.024 22.462 25.992 1.00 43.87 H new ATOM 0 HD12 ILE A 138 12.698 21.889 27.432 1.00 43.87 H new ATOM 0 HD13 ILE A 138 14.082 22.608 27.161 1.00 43.87 H new ATOM 983 N MET A 139 16.997 17.992 28.363 1.00 37.52 N ATOM 984 CA MET A 139 17.838 17.504 29.451 1.00 34.74 C ATOM 985 C MET A 139 18.659 18.683 29.997 1.00 33.90 C ATOM 986 O MET A 139 19.238 19.469 29.230 1.00 31.72 O ATOM 987 CB MET A 139 18.804 16.419 28.965 1.00 37.48 C ATOM 988 CG MET A 139 19.693 15.854 30.093 1.00 39.41 C ATOM 989 SD MET A 139 20.726 14.480 29.538 1.00 45.14 S ATOM 990 CE MET A 139 19.466 13.240 29.332 1.00 44.06 C ATOM 0 H MET A 139 17.438 18.357 27.722 1.00 37.52 H new ATOM 0 HA MET A 139 17.268 17.123 30.137 1.00 34.74 H new ATOM 0 HB2 MET A 139 18.296 15.695 28.567 1.00 37.48 H new ATOM 0 HB3 MET A 139 19.369 16.785 28.267 1.00 37.48 H new ATOM 0 HG2 MET A 139 20.259 16.561 30.439 1.00 39.41 H new ATOM 0 HG3 MET A 139 19.131 15.557 30.825 1.00 39.41 H new ATOM 0 HE1 MET A 139 19.867 12.423 28.997 1.00 44.06 H new ATOM 0 HE2 MET A 139 19.042 13.065 30.186 1.00 44.06 H new ATOM 0 HE3 MET A 139 18.801 13.556 28.700 1.00 44.06 H new ATOM 991 N ARG A 140 18.704 18.797 31.317 1.00 30.33 N ATOM 992 CA ARG A 140 19.453 19.848 31.983 1.00 29.68 C ATOM 993 C ARG A 140 20.628 19.246 32.742 1.00 31.17 C ATOM 994 O ARG A 140 20.499 18.154 33.340 1.00 30.02 O ATOM 995 CB ARG A 140 18.544 20.587 32.974 1.00 29.94 C ATOM 996 CG ARG A 140 17.258 21.110 32.351 1.00 30.99 C ATOM 997 CD ARG A 140 16.482 21.961 33.323 1.00 30.30 C ATOM 998 NE ARG A 140 16.064 21.232 34.518 1.00 30.46 N ATOM 999 CZ ARG A 140 15.560 21.828 35.594 1.00 31.66 C ATOM 1000 NH1 ARG A 140 15.419 23.152 35.597 1.00 32.09 N ATOM 1001 NH2 ARG A 140 15.225 21.126 36.670 1.00 27.58 N ATOM 0 H ARG A 140 18.298 18.262 31.854 1.00 30.33 H new ATOM 0 HA ARG A 140 19.781 20.469 31.314 1.00 29.68 H new ATOM 0 HB2 ARG A 140 18.320 19.988 33.704 1.00 29.94 H new ATOM 0 HB3 ARG A 140 19.034 21.331 33.357 1.00 29.94 H new ATOM 0 HG2 ARG A 140 17.468 21.630 31.560 1.00 30.99 H new ATOM 0 HG3 ARG A 140 16.710 20.364 32.063 1.00 30.99 H new ATOM 0 HD2 ARG A 140 17.027 22.719 33.587 1.00 30.30 H new ATOM 0 HD3 ARG A 140 15.698 22.317 32.877 1.00 30.30 H new ATOM 0 HE ARG A 140 16.148 20.376 34.526 1.00 30.46 H new ATOM 0 HH11 ARG A 140 15.653 23.611 34.908 1.00 32.09 H new ATOM 0 HH12 ARG A 140 15.094 23.548 36.288 1.00 32.09 H new ATOM 0 HH21 ARG A 140 15.333 20.273 36.678 1.00 27.58 H new ATOM 0 HH22 ARG A 140 14.900 21.524 37.359 1.00 27.58 H new ATOM 1002 N ILE A 141 21.763 19.947 32.717 1.00 27.83 N ATOM 1003 CA ILE A 141 22.958 19.520 33.433 1.00 26.56 C ATOM 1004 C ILE A 141 23.391 20.669 34.336 1.00 27.94 C ATOM 1005 O ILE A 141 23.671 21.770 33.856 1.00 29.63 O ATOM 1006 CB ILE A 141 24.148 19.202 32.488 1.00 26.16 C ATOM 1007 CG1 ILE A 141 23.846 17.997 31.592 1.00 27.73 C ATOM 1008 CG2 ILE A 141 25.403 18.904 33.330 1.00 28.38 C ATOM 1009 CD1 ILE A 141 23.531 16.719 32.354 1.00 30.40 C ATOM 0 H ILE A 141 21.858 20.683 32.283 1.00 27.83 H new ATOM 0 HA ILE A 141 22.737 18.711 33.921 1.00 26.56 H new ATOM 0 HB ILE A 141 24.296 19.974 31.920 1.00 26.16 H new ATOM 0 HG12 ILE A 141 23.094 18.213 31.018 1.00 27.73 H new ATOM 0 HG13 ILE A 141 24.608 17.838 31.013 1.00 27.73 H new ATOM 0 HG21 ILE A 141 26.148 18.705 32.742 1.00 28.38 H new ATOM 0 HG22 ILE A 141 25.619 19.677 33.874 1.00 28.38 H new ATOM 0 HG23 ILE A 141 25.233 18.142 33.905 1.00 28.38 H new ATOM 0 HD11 ILE A 141 23.351 16.003 31.725 1.00 30.40 H new ATOM 0 HD12 ILE A 141 24.289 16.478 32.910 1.00 30.40 H new ATOM 0 HD13 ILE A 141 22.752 16.860 32.914 1.00 30.40 H new ATOM 1010 N ALA A 142 23.428 20.430 35.635 1.00 25.87 N ATOM 1011 CA ALA A 142 23.842 21.451 36.572 1.00 27.43 C ATOM 1012 C ALA A 142 25.149 21.014 37.219 1.00 30.02 C ATOM 1013 O ALA A 142 25.313 19.845 37.626 1.00 28.07 O ATOM 1014 CB ALA A 142 22.767 21.671 37.622 1.00 29.41 C ATOM 0 H ALA A 142 23.216 19.678 35.994 1.00 25.87 H new ATOM 0 HA ALA A 142 23.976 22.292 36.108 1.00 27.43 H new ATOM 0 HB1 ALA A 142 23.057 22.357 38.243 1.00 29.41 H new ATOM 0 HB2 ALA A 142 21.945 21.953 37.190 1.00 29.41 H new ATOM 0 HB3 ALA A 142 22.611 20.844 38.104 1.00 29.41 H new ATOM 1015 N LEU A 143 26.088 21.943 37.319 1.00 29.03 N ATOM 1016 CA LEU A 143 27.372 21.617 37.896 1.00 29.47 C ATOM 1017 C LEU A 143 27.494 22.123 39.324 1.00 31.85 C ATOM 1018 O LEU A 143 27.105 23.255 39.612 1.00 31.84 O ATOM 1019 CB LEU A 143 28.483 22.218 37.037 1.00 32.87 C ATOM 1020 CG LEU A 143 28.577 21.790 35.572 1.00 33.86 C ATOM 1021 CD1 LEU A 143 29.887 22.328 35.010 1.00 35.35 C ATOM 1022 CD2 LEU A 143 28.559 20.273 35.439 1.00 34.85 C ATOM 0 H LEU A 143 26.000 22.759 37.061 1.00 29.03 H new ATOM 0 HA LEU A 143 27.454 20.651 37.918 1.00 29.47 H new ATOM 0 HB2 LEU A 143 28.384 23.183 37.058 1.00 32.87 H new ATOM 0 HB3 LEU A 143 29.330 22.010 37.461 1.00 32.87 H new ATOM 0 HG LEU A 143 27.815 22.142 35.086 1.00 33.86 H new ATOM 0 HD11 LEU A 143 29.970 22.069 34.079 1.00 35.35 H new ATOM 0 HD12 LEU A 143 29.895 23.296 35.078 1.00 35.35 H new ATOM 0 HD13 LEU A 143 30.630 21.962 35.515 1.00 35.35 H new ATOM 0 HD21 LEU A 143 28.620 20.029 34.502 1.00 34.85 H new ATOM 0 HD22 LEU A 143 29.313 19.897 35.920 1.00 34.85 H new ATOM 0 HD23 LEU A 143 27.733 19.925 35.810 1.00 34.85 H new ATOM 1023 N GLY A 144 28.027 21.281 40.218 1.00 30.94 N ATOM 1024 CA GLY A 144 28.231 21.678 41.604 1.00 28.78 C ATOM 1025 C GLY A 144 26.982 21.919 42.431 1.00 28.76 C ATOM 1026 O GLY A 144 27.052 22.555 43.481 1.00 28.14 O ATOM 0 H GLY A 144 28.275 20.478 40.036 1.00 30.94 H new ATOM 0 HA2 GLY A 144 28.757 20.991 42.042 1.00 28.78 H new ATOM 0 HA3 GLY A 144 28.762 22.490 41.612 1.00 28.78 H new ATOM 1027 N GLY A 145 25.846 21.396 41.983 1.00 28.00 N ATOM 1028 CA GLY A 145 24.612 21.588 42.719 1.00 27.09 C ATOM 1029 C GLY A 145 23.465 20.845 42.063 1.00 29.27 C ATOM 1030 O GLY A 145 23.636 20.252 41.000 1.00 29.01 O ATOM 0 H GLY A 145 25.772 20.932 41.263 1.00 28.00 H new ATOM 0 HA2 GLY A 145 24.724 21.276 43.631 1.00 27.09 H new ATOM 0 HA3 GLY A 145 24.404 22.534 42.766 1.00 27.09 H new ATOM 1031 N LEU A 146 22.300 20.896 42.696 1.00 30.10 N ATOM 1032 CA LEU A 146 21.098 20.226 42.218 1.00 34.03 C ATOM 1033 C LEU A 146 20.095 21.247 41.705 1.00 35.28 C ATOM 1034 O LEU A 146 20.265 22.435 41.918 1.00 36.13 O ATOM 1035 CB LEU A 146 20.444 19.471 43.376 1.00 33.60 C ATOM 1036 CG LEU A 146 21.380 18.611 44.220 1.00 34.72 C ATOM 1037 CD1 LEU A 146 20.651 18.186 45.499 1.00 31.40 C ATOM 1038 CD2 LEU A 146 21.850 17.401 43.411 1.00 31.01 C ATOM 0 H LEU A 146 22.184 21.329 43.430 1.00 30.10 H new ATOM 0 HA LEU A 146 21.348 19.618 41.505 1.00 34.03 H new ATOM 0 HB2 LEU A 146 20.012 20.116 43.958 1.00 33.60 H new ATOM 0 HB3 LEU A 146 19.746 18.902 43.016 1.00 33.60 H new ATOM 0 HG LEU A 146 22.168 19.119 44.469 1.00 34.72 H new ATOM 0 HD11 LEU A 146 21.240 17.638 46.041 1.00 31.40 H new ATOM 0 HD12 LEU A 146 20.391 18.974 46.001 1.00 31.40 H new ATOM 0 HD13 LEU A 146 19.860 17.676 45.266 1.00 31.40 H new ATOM 0 HD21 LEU A 146 22.444 16.860 43.954 1.00 31.01 H new ATOM 0 HD22 LEU A 146 21.082 16.871 43.146 1.00 31.01 H new ATOM 0 HD23 LEU A 146 22.322 17.704 42.620 1.00 31.01 H new ATOM 1039 N LEU A 147 19.046 20.774 41.044 1.00 34.54 N ATOM 1040 CA LEU A 147 18.010 21.665 40.557 1.00 34.19 C ATOM 1041 C LEU A 147 16.743 21.471 41.385 1.00 36.42 C ATOM 1042 O LEU A 147 15.641 21.785 40.945 1.00 37.63 O ATOM 1043 CB LEU A 147 17.754 21.430 39.065 1.00 34.00 C ATOM 1044 CG LEU A 147 18.976 21.878 38.262 1.00 31.97 C ATOM 1045 CD1 LEU A 147 18.814 21.592 36.788 1.00 32.80 C ATOM 1046 CD2 LEU A 147 19.193 23.368 38.503 1.00 32.60 C ATOM 0 H LEU A 147 18.918 19.942 40.869 1.00 34.54 H new ATOM 0 HA LEU A 147 18.301 22.585 40.655 1.00 34.19 H new ATOM 0 HB2 LEU A 147 17.574 20.491 38.902 1.00 34.00 H new ATOM 0 HB3 LEU A 147 16.969 21.923 38.780 1.00 34.00 H new ATOM 0 HG LEU A 147 19.751 21.376 38.559 1.00 31.97 H new ATOM 0 HD11 LEU A 147 19.605 21.888 36.312 1.00 32.80 H new ATOM 0 HD12 LEU A 147 18.695 20.639 36.654 1.00 32.80 H new ATOM 0 HD13 LEU A 147 18.038 22.065 36.450 1.00 32.80 H new ATOM 0 HD21 LEU A 147 19.966 23.668 38.000 1.00 32.60 H new ATOM 0 HD22 LEU A 147 18.409 23.860 38.214 1.00 32.60 H new ATOM 0 HD23 LEU A 147 19.343 23.525 39.448 1.00 32.60 H new ATOM 1047 N PHE A 148 16.926 20.904 42.578 1.00 37.03 N ATOM 1048 CA PHE A 148 15.866 20.698 43.545 1.00 36.90 C ATOM 1049 C PHE A 148 16.542 20.638 44.911 1.00 38.45 C ATOM 1050 O PHE A 148 17.761 20.504 44.992 1.00 40.78 O ATOM 1051 CB PHE A 148 14.992 19.454 43.226 1.00 38.04 C ATOM 1052 CG PHE A 148 15.714 18.108 43.250 1.00 37.81 C ATOM 1053 CD1 PHE A 148 15.584 17.238 42.176 1.00 39.27 C ATOM 1054 CD2 PHE A 148 16.376 17.656 44.385 1.00 40.55 C ATOM 1055 CE1 PHE A 148 16.089 15.933 42.230 1.00 37.97 C ATOM 1056 CE2 PHE A 148 16.890 16.345 44.452 1.00 42.00 C ATOM 1057 CZ PHE A 148 16.738 15.487 43.370 1.00 38.19 C ATOM 0 H PHE A 148 17.693 20.623 42.848 1.00 37.03 H new ATOM 0 HA PHE A 148 15.227 21.427 43.521 1.00 36.90 H new ATOM 0 HB2 PHE A 148 14.262 19.421 43.864 1.00 38.04 H new ATOM 0 HB3 PHE A 148 14.597 19.574 42.348 1.00 38.04 H new ATOM 0 HD1 PHE A 148 15.153 17.528 41.405 1.00 39.27 H new ATOM 0 HD2 PHE A 148 16.482 18.227 45.111 1.00 40.55 H new ATOM 0 HE1 PHE A 148 15.989 15.365 41.500 1.00 37.97 H new ATOM 0 HE2 PHE A 148 17.330 16.055 45.219 1.00 42.00 H new ATOM 0 HZ PHE A 148 17.070 14.619 43.411 1.00 38.19 H new ATOM 1058 N PRO A 149 15.782 20.812 45.999 1.00 38.59 N ATOM 1059 CA PRO A 149 16.362 20.772 47.349 1.00 38.90 C ATOM 1060 C PRO A 149 17.088 19.463 47.672 1.00 38.17 C ATOM 1061 O PRO A 149 16.635 18.395 47.274 1.00 37.76 O ATOM 1062 CB PRO A 149 15.148 20.973 48.254 1.00 38.74 C ATOM 1063 CG PRO A 149 14.223 21.794 47.404 1.00 40.04 C ATOM 1064 CD PRO A 149 14.351 21.156 46.044 1.00 38.63 C ATOM 0 HA PRO A 149 17.053 21.444 47.460 1.00 38.90 H new ATOM 0 HB2 PRO A 149 14.746 20.128 48.508 1.00 38.74 H new ATOM 0 HB3 PRO A 149 15.384 21.433 49.075 1.00 38.74 H new ATOM 0 HG2 PRO A 149 13.311 21.761 47.731 1.00 40.04 H new ATOM 0 HG3 PRO A 149 14.485 22.728 47.388 1.00 40.04 H new ATOM 0 HD2 PRO A 149 13.786 20.372 45.956 1.00 38.63 H new ATOM 0 HD3 PRO A 149 14.102 21.766 45.332 1.00 38.63 H new ATOM 1065 N ALA A 150 18.192 19.561 48.413 1.00 37.11 N ATOM 1066 CA ALA A 150 18.991 18.396 48.804 1.00 41.80 C ATOM 1067 C ALA A 150 18.149 17.341 49.508 1.00 43.58 C ATOM 1068 O ALA A 150 18.360 16.138 49.334 1.00 44.19 O ATOM 1069 CB ALA A 150 20.137 18.828 49.714 1.00 39.74 C ATOM 0 H ALA A 150 18.501 20.309 48.705 1.00 37.11 H new ATOM 0 HA ALA A 150 19.347 18.002 47.992 1.00 41.80 H new ATOM 0 HB1 ALA A 150 20.660 18.051 49.967 1.00 39.74 H new ATOM 0 HB2 ALA A 150 20.704 19.459 49.244 1.00 39.74 H new ATOM 0 HB3 ALA A 150 19.777 19.249 50.510 1.00 39.74 H new ATOM 1070 N SER A 151 17.208 17.817 50.317 1.00 44.78 N ATOM 1071 CA SER A 151 16.294 16.977 51.072 1.00 46.57 C ATOM 1072 C SER A 151 15.455 16.101 50.149 1.00 45.95 C ATOM 1073 O SER A 151 14.885 15.101 50.584 1.00 47.00 O ATOM 1074 CB SER A 151 15.350 17.860 51.889 1.00 49.18 C ATOM 1075 OG SER A 151 14.533 18.628 51.019 1.00 50.22 O ATOM 0 H SER A 151 17.083 18.658 50.443 1.00 44.78 H new ATOM 0 HA SER A 151 16.823 16.407 51.652 1.00 46.57 H new ATOM 0 HB2 SER A 151 14.796 17.309 52.464 1.00 49.18 H new ATOM 0 HB3 SER A 151 15.862 18.447 52.467 1.00 49.18 H new ATOM 0 HG SER A 151 14.016 19.110 51.473 1.00 50.22 H new ATOM 1076 N ASN A 152 15.368 16.489 48.879 1.00 44.30 N ATOM 1077 CA ASN A 152 14.581 15.742 47.902 1.00 42.39 C ATOM 1078 C ASN A 152 15.298 14.513 47.353 1.00 38.10 C ATOM 1079 O ASN A 152 14.681 13.682 46.691 1.00 36.83 O ATOM 1080 CB ASN A 152 14.185 16.648 46.735 1.00 46.57 C ATOM 1081 CG ASN A 152 12.901 17.415 46.997 1.00 50.31 C ATOM 1082 OD1 ASN A 152 11.804 16.853 46.942 1.00 51.82 O ATOM 1083 ND2 ASN A 152 13.033 18.706 47.282 1.00 53.60 N ATOM 0 H ASN A 152 15.760 17.186 48.562 1.00 44.30 H new ATOM 0 HA ASN A 152 13.795 15.430 48.377 1.00 42.39 H new ATOM 0 HB2 ASN A 152 14.903 17.277 46.561 1.00 46.57 H new ATOM 0 HB3 ASN A 152 14.078 16.110 45.935 1.00 46.57 H new ATOM 0 HD21 ASN A 152 12.336 19.185 47.437 1.00 53.60 H new ATOM 0 HD22 ASN A 152 13.815 19.062 47.311 1.00 53.60 H new ATOM 1084 N LEU A 153 16.597 14.420 47.596 1.00 34.21 N ATOM 1085 CA LEU A 153 17.391 13.275 47.144 1.00 33.70 C ATOM 1086 C LEU A 153 16.910 11.972 47.777 1.00 33.92 C ATOM 1087 O LEU A 153 16.254 11.987 48.814 1.00 30.19 O ATOM 1088 CB LEU A 153 18.860 13.461 47.533 1.00 30.06 C ATOM 1089 CG LEU A 153 19.678 14.446 46.682 1.00 32.75 C ATOM 1090 CD1 LEU A 153 21.042 14.687 47.306 1.00 28.80 C ATOM 1091 CD2 LEU A 153 19.836 13.870 45.267 1.00 33.67 C ATOM 0 H LEU A 153 17.047 15.014 48.026 1.00 34.21 H new ATOM 0 HA LEU A 153 17.290 13.226 46.180 1.00 33.70 H new ATOM 0 HB2 LEU A 153 18.894 13.757 48.456 1.00 30.06 H new ATOM 0 HB3 LEU A 153 19.295 12.595 47.497 1.00 30.06 H new ATOM 0 HG LEU A 153 19.213 15.296 46.639 1.00 32.75 H new ATOM 0 HD11 LEU A 153 21.544 15.310 46.757 1.00 28.80 H new ATOM 0 HD12 LEU A 153 20.930 15.058 48.195 1.00 28.80 H new ATOM 0 HD13 LEU A 153 21.524 13.847 47.365 1.00 28.80 H new ATOM 0 HD21 LEU A 153 20.351 14.486 44.723 1.00 33.67 H new ATOM 0 HD22 LEU A 153 20.296 13.017 45.314 1.00 33.67 H new ATOM 0 HD23 LEU A 153 18.960 13.743 44.870 1.00 33.67 H new ATOM 1092 N ARG A 154 17.259 10.843 47.164 1.00 33.39 N ATOM 1093 CA ARG A 154 16.890 9.559 47.744 1.00 32.12 C ATOM 1094 C ARG A 154 17.629 9.478 49.072 1.00 31.99 C ATOM 1095 O ARG A 154 17.094 9.016 50.075 1.00 31.21 O ATOM 1096 CB ARG A 154 17.320 8.424 46.832 1.00 32.22 C ATOM 1097 CG ARG A 154 16.409 8.251 45.638 1.00 33.68 C ATOM 1098 CD ARG A 154 16.996 7.231 44.704 1.00 31.07 C ATOM 1099 NE ARG A 154 17.468 6.050 45.422 1.00 31.26 N ATOM 1100 CZ ARG A 154 16.693 5.037 45.810 1.00 30.26 C ATOM 1101 NH1 ARG A 154 17.222 4.008 46.454 1.00 30.96 N ATOM 1102 NH2 ARG A 154 15.403 5.048 45.543 1.00 29.39 N ATOM 0 H ARG A 154 17.700 10.800 46.427 1.00 33.39 H new ATOM 0 HA ARG A 154 15.930 9.483 47.863 1.00 32.12 H new ATOM 0 HB2 ARG A 154 18.224 8.589 46.522 1.00 32.22 H new ATOM 0 HB3 ARG A 154 17.341 7.598 47.340 1.00 32.22 H new ATOM 0 HG2 ARG A 154 15.528 7.968 45.929 1.00 33.68 H new ATOM 0 HG3 ARG A 154 16.297 9.098 45.179 1.00 33.68 H new ATOM 0 HD2 ARG A 154 16.329 6.968 44.051 1.00 31.07 H new ATOM 0 HD3 ARG A 154 17.733 7.627 44.213 1.00 31.07 H new ATOM 0 HE ARG A 154 18.306 6.005 45.608 1.00 31.26 H new ATOM 0 HH11 ARG A 154 18.065 3.993 46.622 1.00 30.96 H new ATOM 0 HH12 ARG A 154 16.722 3.354 46.704 1.00 30.96 H new ATOM 0 HH21 ARG A 154 15.058 5.710 45.117 1.00 29.39 H new ATOM 0 HH22 ARG A 154 14.906 4.393 45.795 1.00 29.39 H new ATOM 1103 N LEU A 155 18.869 9.949 49.060 1.00 30.93 N ATOM 1104 CA LEU A 155 19.694 9.975 50.250 1.00 29.75 C ATOM 1105 C LEU A 155 20.395 11.333 50.286 1.00 29.01 C ATOM 1106 O LEU A 155 21.354 11.583 49.548 1.00 27.82 O ATOM 1107 CB LEU A 155 20.752 8.859 50.239 1.00 29.69 C ATOM 1108 CG LEU A 155 21.598 8.788 51.530 1.00 30.55 C ATOM 1109 CD1 LEU A 155 20.716 8.314 52.674 1.00 33.33 C ATOM 1110 CD2 LEU A 155 22.787 7.838 51.369 1.00 30.76 C ATOM 0 H LEU A 155 19.254 10.263 48.358 1.00 30.93 H new ATOM 0 HA LEU A 155 19.135 9.835 51.030 1.00 29.75 H new ATOM 0 HB2 LEU A 155 20.309 8.006 50.105 1.00 29.69 H new ATOM 0 HB3 LEU A 155 21.343 8.993 49.482 1.00 29.69 H new ATOM 0 HG LEU A 155 21.948 9.673 51.718 1.00 30.55 H new ATOM 0 HD11 LEU A 155 21.240 8.267 53.489 1.00 33.33 H new ATOM 0 HD12 LEU A 155 19.983 8.937 52.797 1.00 33.33 H new ATOM 0 HD13 LEU A 155 20.361 7.435 52.467 1.00 33.33 H new ATOM 0 HD21 LEU A 155 23.297 7.815 52.194 1.00 30.76 H new ATOM 0 HD22 LEU A 155 22.464 6.947 51.164 1.00 30.76 H new ATOM 0 HD23 LEU A 155 23.355 8.149 50.647 1.00 30.76 H new ATOM 1111 N PRO A 156 19.905 12.237 51.139 1.00 28.98 N ATOM 1112 CA PRO A 156 20.474 13.574 51.287 1.00 29.73 C ATOM 1113 C PRO A 156 21.937 13.628 51.664 1.00 29.65 C ATOM 1114 O PRO A 156 22.446 12.770 52.387 1.00 29.84 O ATOM 1115 CB PRO A 156 19.607 14.190 52.381 1.00 29.98 C ATOM 1116 CG PRO A 156 18.255 13.625 52.050 1.00 27.79 C ATOM 1117 CD PRO A 156 18.606 12.152 51.831 1.00 29.14 C ATOM 0 HA PRO A 156 20.464 14.042 50.437 1.00 29.73 H new ATOM 0 HB2 PRO A 156 19.902 13.933 53.268 1.00 29.98 H new ATOM 0 HB3 PRO A 156 19.615 15.159 52.350 1.00 29.98 H new ATOM 0 HG2 PRO A 156 17.618 13.748 52.771 1.00 27.79 H new ATOM 0 HG3 PRO A 156 17.870 14.033 51.259 1.00 27.79 H new ATOM 0 HD2 PRO A 156 18.673 11.668 52.669 1.00 29.14 H new ATOM 0 HD3 PRO A 156 17.939 11.697 51.293 1.00 29.14 H new ATOM 1118 N LEU A 157 22.605 14.649 51.145 1.00 27.40 N ATOM 1119 CA LEU A 157 23.987 14.941 51.473 1.00 29.72 C ATOM 1120 C LEU A 157 24.035 16.468 51.338 1.00 30.27 C ATOM 1121 O LEU A 157 23.082 17.072 50.851 1.00 29.10 O ATOM 1122 CB LEU A 157 24.978 14.279 50.499 1.00 30.20 C ATOM 1123 CG LEU A 157 24.794 14.378 48.973 1.00 31.33 C ATOM 1124 CD1 LEU A 157 24.638 15.833 48.512 1.00 33.56 C ATOM 1125 CD2 LEU A 157 26.015 13.756 48.293 1.00 33.12 C ATOM 0 H LEU A 157 22.259 15.200 50.582 1.00 27.40 H new ATOM 0 HA LEU A 157 24.243 14.605 52.346 1.00 29.72 H new ATOM 0 HB2 LEU A 157 25.855 14.640 50.701 1.00 30.20 H new ATOM 0 HB3 LEU A 157 25.002 13.335 50.719 1.00 30.20 H new ATOM 0 HG LEU A 157 23.984 13.904 48.729 1.00 31.33 H new ATOM 0 HD11 LEU A 157 24.525 15.857 47.549 1.00 33.56 H new ATOM 0 HD12 LEU A 157 23.861 16.226 48.939 1.00 33.56 H new ATOM 0 HD13 LEU A 157 25.430 16.337 48.757 1.00 33.56 H new ATOM 0 HD21 LEU A 157 25.913 13.811 47.330 1.00 33.12 H new ATOM 0 HD22 LEU A 157 26.814 14.236 48.561 1.00 33.12 H new ATOM 0 HD23 LEU A 157 26.093 12.826 48.556 1.00 33.12 H new ATOM 1126 N VAL A 158 25.115 17.084 51.797 1.00 31.32 N ATOM 1127 CA VAL A 158 25.260 18.533 51.684 1.00 31.59 C ATOM 1128 C VAL A 158 25.967 18.721 50.340 1.00 30.62 C ATOM 1129 O VAL A 158 27.134 18.356 50.184 1.00 31.99 O ATOM 1130 CB VAL A 158 26.098 19.086 52.844 1.00 30.73 C ATOM 1131 CG1 VAL A 158 26.239 20.594 52.716 1.00 31.70 C ATOM 1132 CG2 VAL A 158 25.436 18.717 54.173 1.00 34.20 C ATOM 0 H VAL A 158 25.775 16.685 52.177 1.00 31.32 H new ATOM 0 HA VAL A 158 24.414 19.006 51.726 1.00 31.59 H new ATOM 0 HB VAL A 158 26.985 18.695 52.816 1.00 30.73 H new ATOM 0 HG11 VAL A 158 26.770 20.933 53.453 1.00 31.70 H new ATOM 0 HG12 VAL A 158 26.677 20.808 51.877 1.00 31.70 H new ATOM 0 HG13 VAL A 158 25.360 21.004 52.735 1.00 31.70 H new ATOM 0 HG21 VAL A 158 25.966 19.067 54.907 1.00 34.20 H new ATOM 0 HG22 VAL A 158 24.545 19.098 54.208 1.00 34.20 H new ATOM 0 HG23 VAL A 158 25.377 17.752 54.248 1.00 34.20 H new ATOM 1133 N PRO A 159 25.257 19.300 49.354 1.00 32.01 N ATOM 1134 CA PRO A 159 25.728 19.549 47.987 1.00 32.28 C ATOM 1135 C PRO A 159 27.011 20.318 47.772 1.00 33.82 C ATOM 1136 O PRO A 159 27.755 20.010 46.846 1.00 30.53 O ATOM 1137 CB PRO A 159 24.515 20.199 47.307 1.00 33.45 C ATOM 1138 CG PRO A 159 23.845 20.914 48.420 1.00 34.90 C ATOM 1139 CD PRO A 159 23.942 19.931 49.576 1.00 32.36 C ATOM 0 HA PRO A 159 26.018 18.706 47.604 1.00 32.28 H new ATOM 0 HB2 PRO A 159 24.783 20.807 46.601 1.00 33.45 H new ATOM 0 HB3 PRO A 159 23.932 19.536 46.904 1.00 33.45 H new ATOM 0 HG2 PRO A 159 24.288 21.752 48.625 1.00 34.90 H new ATOM 0 HG3 PRO A 159 22.923 21.125 48.206 1.00 34.90 H new ATOM 0 HD2 PRO A 159 23.898 20.379 50.435 1.00 32.36 H new ATOM 0 HD3 PRO A 159 23.222 19.281 49.558 1.00 32.36 H new ATOM 1140 N ALA A 160 27.297 21.296 48.628 1.00 35.50 N ATOM 1141 CA ALA A 160 28.524 22.081 48.460 1.00 37.66 C ATOM 1142 C ALA A 160 29.771 21.211 48.256 1.00 36.78 C ATOM 1143 O ALA A 160 30.103 20.367 49.080 1.00 37.83 O ATOM 1144 CB ALA A 160 28.726 23.027 49.665 1.00 35.54 C ATOM 0 H ALA A 160 26.808 21.520 49.299 1.00 35.50 H new ATOM 0 HA ALA A 160 28.410 22.603 47.650 1.00 37.66 H new ATOM 0 HB1 ALA A 160 29.540 23.540 49.541 1.00 35.54 H new ATOM 0 HB2 ALA A 160 27.971 23.632 49.732 1.00 35.54 H new ATOM 0 HB3 ALA A 160 28.794 22.504 50.479 1.00 35.54 H new ATOM 1145 N LEU A 161 30.456 21.410 47.141 1.00 38.10 N ATOM 1146 CA LEU A 161 31.667 20.647 46.877 1.00 40.09 C ATOM 1147 C LEU A 161 32.842 21.594 46.640 1.00 41.08 C ATOM 1148 O LEU A 161 32.911 22.292 45.627 1.00 40.54 O ATOM 1149 CB LEU A 161 31.482 19.727 45.668 1.00 41.15 C ATOM 1150 CG LEU A 161 32.624 18.716 45.501 1.00 43.02 C ATOM 1151 CD1 LEU A 161 32.674 17.800 46.718 1.00 44.12 C ATOM 1152 CD2 LEU A 161 32.434 17.907 44.219 1.00 43.05 C ATOM 0 H LEU A 161 30.241 21.975 46.530 1.00 38.10 H new ATOM 0 HA LEU A 161 31.854 20.095 47.653 1.00 40.09 H new ATOM 0 HB2 LEU A 161 30.644 19.248 45.758 1.00 41.15 H new ATOM 0 HB3 LEU A 161 31.415 20.267 44.865 1.00 41.15 H new ATOM 0 HG LEU A 161 33.467 19.191 45.432 1.00 43.02 H new ATOM 0 HD11 LEU A 161 33.396 17.161 46.613 1.00 44.12 H new ATOM 0 HD12 LEU A 161 32.826 18.330 47.516 1.00 44.12 H new ATOM 0 HD13 LEU A 161 31.832 17.325 46.801 1.00 44.12 H new ATOM 0 HD21 LEU A 161 33.162 17.273 44.126 1.00 43.05 H new ATOM 0 HD22 LEU A 161 31.591 17.428 44.260 1.00 43.05 H new ATOM 0 HD23 LEU A 161 32.428 18.506 43.456 1.00 43.05 H new ATOM 1153 N AASP A 162 33.769 21.610 47.593 0.50 40.83 N ATOM 1154 N BASP A 162 33.768 21.617 47.589 0.50 41.41 N ATOM 1155 CA AASP A 162 34.943 22.467 47.507 0.50 40.79 C ATOM 1156 CA BASP A 162 34.927 22.484 47.483 0.50 41.73 C ATOM 1157 C AASP A 162 36.014 21.799 46.658 0.50 40.81 C ATOM 1158 C BASP A 162 36.016 21.817 46.662 0.50 41.42 C ATOM 1159 O AASP A 162 36.870 21.083 47.175 0.50 41.61 O ATOM 1160 O BASP A 162 36.879 21.121 47.197 0.50 42.17 O ATOM 1161 CB AASP A 162 35.503 22.730 48.902 0.50 40.80 C ATOM 1162 CB BASP A 162 35.428 22.821 48.882 0.50 43.17 C ATOM 1163 CG AASP A 162 36.412 23.944 48.947 0.50 41.03 C ATOM 1164 CG BASP A 162 34.322 23.355 49.769 0.50 43.94 C ATOM 1165 OD1AASP A 162 37.230 24.120 48.018 0.50 39.39 O ATOM 1166 OD1BASP A 162 33.689 24.357 49.380 0.50 45.06 O ATOM 1167 OD2AASP A 162 36.310 24.715 49.921 0.50 40.16 O ATOM 1168 OD2BASP A 162 34.078 22.769 50.845 0.50 45.44 O ATOM 0 H AASP A 162 33.734 21.127 48.303 0.50 41.41 H new ATOM 0 H BASP A 162 33.742 21.137 48.302 0.50 41.41 H new ATOM 0 HA AASP A 162 34.683 23.308 47.099 0.50 41.73 H new ATOM 0 HA BASP A 162 34.678 23.305 47.030 0.50 41.73 H new ATOM 0 HB2AASP A 162 34.769 22.857 49.523 0.50 43.17 H new ATOM 0 HB2BASP A 162 35.811 22.027 49.287 0.50 43.17 H new ATOM 0 HB3AASP A 162 35.996 21.950 49.201 0.50 43.17 H new ATOM 0 HB3BASP A 162 36.138 23.479 48.820 0.50 43.17 H new ATOM 1169 N GLY A 163 35.963 22.032 45.353 1.00 40.03 N ATOM 1170 CA GLY A 163 36.941 21.438 44.462 1.00 40.49 C ATOM 1171 C GLY A 163 37.020 22.129 43.113 1.00 40.78 C ATOM 1172 O GLY A 163 36.262 23.063 42.819 1.00 39.87 O ATOM 0 H AGLY A 163 35.374 22.527 44.968 0.50 40.03 H new ATOM 0 H BGLY A 163 35.369 22.518 44.964 0.50 40.03 H new ATOM 0 HA2 GLY A 163 37.814 21.466 44.885 1.00 40.49 H new ATOM 0 HA3 GLY A 163 36.721 20.503 44.327 1.00 40.49 H new ATOM 1173 N CYS A 164 37.928 21.656 42.272 1.00 42.94 N ATOM 1174 CA CYS A 164 38.112 22.257 40.960 1.00 44.45 C ATOM 1175 C CYS A 164 37.751 21.334 39.811 1.00 43.69 C ATOM 1176 O CYS A 164 37.893 20.115 39.893 1.00 43.80 O ATOM 1177 CB CYS A 164 39.552 22.745 40.820 1.00 48.62 C ATOM 1178 SG CYS A 164 39.964 24.009 42.064 1.00 58.89 S ATOM 0 H CYS A 164 38.446 20.991 42.440 1.00 42.94 H new ATOM 0 HA CYS A 164 37.496 23.004 40.904 1.00 44.45 H new ATOM 0 HB2 CYS A 164 40.158 21.993 40.910 1.00 48.62 H new ATOM 0 HB3 CYS A 164 39.684 23.111 39.931 1.00 48.62 H new ATOM 1179 N LEU A 165 37.288 21.944 38.729 1.00 42.69 N ATOM 1180 CA LEU A 165 36.879 21.224 37.544 1.00 41.43 C ATOM 1181 C LEU A 165 37.609 21.800 36.344 1.00 40.73 C ATOM 1182 O LEU A 165 37.818 23.006 36.263 1.00 41.61 O ATOM 1183 CB LEU A 165 35.372 21.406 37.349 1.00 42.24 C ATOM 1184 CG LEU A 165 34.752 20.612 36.202 1.00 44.96 C ATOM 1185 CD1 LEU A 165 34.216 19.307 36.753 1.00 44.38 C ATOM 1186 CD2 LEU A 165 33.628 21.410 35.551 1.00 46.61 C ATOM 0 H LEU A 165 37.203 22.797 38.666 1.00 42.69 H new ATOM 0 HA LEU A 165 37.088 20.281 37.637 1.00 41.43 H new ATOM 0 HB2 LEU A 165 34.924 21.157 38.172 1.00 42.24 H new ATOM 0 HB3 LEU A 165 35.193 22.348 37.202 1.00 42.24 H new ATOM 0 HG LEU A 165 35.425 20.433 35.526 1.00 44.96 H new ATOM 0 HD11 LEU A 165 33.818 18.791 36.034 1.00 44.38 H new ATOM 0 HD12 LEU A 165 34.942 18.801 37.151 1.00 44.38 H new ATOM 0 HD13 LEU A 165 33.544 19.492 37.428 1.00 44.38 H new ATOM 0 HD21 LEU A 165 33.243 20.895 34.825 1.00 46.61 H new ATOM 0 HD22 LEU A 165 32.942 21.601 36.210 1.00 46.61 H new ATOM 0 HD23 LEU A 165 33.982 22.243 35.203 1.00 46.61 H new ATOM 1187 N ARG A 166 38.013 20.949 35.416 1.00 40.71 N ATOM 1188 CA ARG A 166 38.665 21.440 34.214 1.00 42.20 C ATOM 1189 C ARG A 166 38.503 20.403 33.118 1.00 41.41 C ATOM 1190 O ARG A 166 38.059 19.279 33.379 1.00 39.58 O ATOM 1191 CB ARG A 166 40.152 21.733 34.479 1.00 43.70 C ATOM 1192 CG ARG A 166 41.033 20.502 34.580 1.00 45.80 C ATOM 1193 CD ARG A 166 42.484 20.866 34.914 1.00 47.35 C ATOM 1194 NE ARG A 166 43.351 19.692 34.838 1.00 48.66 N ATOM 1195 CZ ARG A 166 44.643 19.685 35.148 1.00 49.84 C ATOM 1196 NH1 ARG A 166 45.226 20.800 35.563 1.00 51.57 N ATOM 1197 NH2 ARG A 166 45.352 18.564 35.031 1.00 49.40 N ATOM 0 H ARG A 166 37.922 20.095 35.460 1.00 40.71 H new ATOM 0 HA ARG A 166 38.253 22.273 33.936 1.00 42.20 H new ATOM 0 HB2 ARG A 166 40.489 22.299 33.767 1.00 43.70 H new ATOM 0 HB3 ARG A 166 40.227 22.238 35.304 1.00 43.70 H new ATOM 0 HG2 ARG A 166 40.683 19.909 35.263 1.00 45.80 H new ATOM 0 HG3 ARG A 166 41.006 20.016 33.741 1.00 45.80 H new ATOM 0 HD2 ARG A 166 42.800 21.546 34.298 1.00 47.35 H new ATOM 0 HD3 ARG A 166 42.528 21.247 35.805 1.00 47.35 H new ATOM 0 HE ARG A 166 43.000 18.953 34.574 1.00 48.66 H new ATOM 0 HH11 ARG A 166 44.768 21.525 35.631 1.00 51.57 H new ATOM 0 HH12 ARG A 166 46.062 20.799 35.764 1.00 51.57 H new ATOM 0 HH21 ARG A 166 44.974 17.843 34.754 1.00 49.40 H new ATOM 0 HH22 ARG A 166 46.188 18.561 35.232 1.00 49.40 H new ATOM 1198 N ARG A 167 38.841 20.788 31.890 1.00 41.00 N ATOM 1199 CA ARG A 167 38.746 19.902 30.727 1.00 42.05 C ATOM 1200 C ARG A 167 37.417 19.140 30.668 1.00 41.70 C ATOM 1201 O ARG A 167 37.373 17.964 30.291 1.00 40.62 O ATOM 1202 CB ARG A 167 39.915 18.918 30.743 1.00 45.86 C ATOM 1203 CG ARG A 167 41.272 19.616 30.795 1.00 53.35 C ATOM 1204 CD ARG A 167 42.436 18.637 30.776 1.00 56.83 C ATOM 1205 NE ARG A 167 42.489 17.864 29.539 1.00 61.65 N ATOM 1206 CZ ARG A 167 42.028 16.624 29.400 1.00 63.39 C ATOM 1207 NH1 ARG A 167 41.467 15.994 30.428 1.00 63.79 N ATOM 1208 NH2 ARG A 167 42.137 16.011 28.227 1.00 64.71 N ATOM 0 H ARG A 167 39.134 21.575 31.705 1.00 41.00 H new ATOM 0 HA ARG A 167 38.784 20.458 29.933 1.00 42.05 H new ATOM 0 HB2 ARG A 167 39.828 18.331 31.510 1.00 45.86 H new ATOM 0 HB3 ARG A 167 39.873 18.359 29.951 1.00 45.86 H new ATOM 0 HG2 ARG A 167 41.350 20.220 30.040 1.00 53.35 H new ATOM 0 HG3 ARG A 167 41.323 20.157 31.598 1.00 53.35 H new ATOM 0 HD2 ARG A 167 43.268 19.124 30.887 1.00 56.83 H new ATOM 0 HD3 ARG A 167 42.359 18.032 31.530 1.00 56.83 H new ATOM 0 HE ARG A 167 42.844 18.237 28.850 1.00 61.65 H new ATOM 0 HH11 ARG A 167 41.400 16.388 31.189 1.00 63.79 H new ATOM 0 HH12 ARG A 167 41.171 15.192 30.331 1.00 63.79 H new ATOM 0 HH21 ARG A 167 42.504 16.416 27.563 1.00 64.71 H new ATOM 0 HH22 ARG A 167 41.841 15.209 28.132 1.00 64.71 H new ATOM 1209 N ASP A 168 36.339 19.825 31.033 1.00 39.64 N ATOM 1210 CA ASP A 168 35.007 19.230 31.042 1.00 38.22 C ATOM 1211 C ASP A 168 34.353 19.254 29.670 1.00 38.95 C ATOM 1212 O ASP A 168 34.479 20.219 28.905 1.00 41.48 O ATOM 1213 CB ASP A 168 34.098 19.978 32.010 1.00 38.28 C ATOM 1214 CG ASP A 168 34.029 21.470 31.697 1.00 38.99 C ATOM 1215 OD1 ASP A 168 33.021 22.124 32.029 1.00 37.68 O ATOM 1216 OD2 ASP A 168 35.010 21.985 31.127 1.00 42.09 O ATOM 0 H ASP A 168 36.359 20.648 31.282 1.00 39.64 H new ATOM 0 HA ASP A 168 35.122 18.307 31.318 1.00 38.22 H new ATOM 0 HB2 ASP A 168 33.206 19.599 31.972 1.00 38.28 H new ATOM 0 HB3 ASP A 168 34.421 19.854 32.916 1.00 38.28 H new ATOM 1217 N SER A 169 33.630 18.189 29.378 1.00 36.42 N ATOM 1218 CA SER A 169 32.915 18.046 28.125 1.00 36.55 C ATOM 1219 C SER A 169 31.547 17.487 28.521 1.00 36.11 C ATOM 1220 O SER A 169 31.466 16.426 29.154 1.00 34.09 O ATOM 1221 CB SER A 169 33.665 17.070 27.220 1.00 34.85 C ATOM 1222 OG SER A 169 33.054 16.987 25.947 1.00 38.87 O ATOM 0 H SER A 169 33.539 17.519 29.909 1.00 36.42 H new ATOM 0 HA SER A 169 32.832 18.880 27.636 1.00 36.55 H new ATOM 0 HB2 SER A 169 34.586 17.357 27.122 1.00 34.85 H new ATOM 0 HB3 SER A 169 33.684 16.192 27.631 1.00 34.85 H new ATOM 0 HG SER A 169 33.482 16.448 25.465 1.00 38.87 H new ATOM 1223 N TRP A 170 30.475 18.191 28.173 1.00 35.57 N ATOM 1224 CA TRP A 170 29.148 17.732 28.553 1.00 36.74 C ATOM 1225 C TRP A 170 28.226 17.319 27.399 1.00 38.40 C ATOM 1226 O TRP A 170 27.779 18.144 26.600 1.00 36.97 O ATOM 1227 CB TRP A 170 28.488 18.791 29.439 1.00 34.44 C ATOM 1228 CG TRP A 170 29.369 19.179 30.597 1.00 34.64 C ATOM 1229 CD1 TRP A 170 30.251 20.217 30.636 1.00 32.04 C ATOM 1230 CD2 TRP A 170 29.532 18.470 31.839 1.00 31.89 C ATOM 1231 NE1 TRP A 170 30.958 20.201 31.814 1.00 33.95 N ATOM 1232 CE2 TRP A 170 30.537 19.139 32.572 1.00 34.94 C ATOM 1233 CE3 TRP A 170 28.930 17.337 32.399 1.00 33.01 C ATOM 1234 CZ2 TRP A 170 30.956 18.712 33.836 1.00 30.44 C ATOM 1235 CZ3 TRP A 170 29.348 16.910 33.662 1.00 30.66 C ATOM 1236 CH2 TRP A 170 30.351 17.598 34.362 1.00 32.96 C ATOM 0 H TRP A 170 30.494 18.925 27.725 1.00 35.57 H new ATOM 0 HA TRP A 170 29.283 16.904 29.040 1.00 36.74 H new ATOM 0 HB2 TRP A 170 28.287 19.577 28.908 1.00 34.44 H new ATOM 0 HB3 TRP A 170 27.644 18.452 29.774 1.00 34.44 H new ATOM 0 HD1 TRP A 170 30.359 20.847 29.961 1.00 32.04 H new ATOM 0 HE1 TRP A 170 31.566 20.766 32.039 1.00 33.95 H new ATOM 0 HE3 TRP A 170 28.265 16.877 31.939 1.00 33.01 H new ATOM 0 HZ2 TRP A 170 31.620 19.166 34.303 1.00 30.44 H new ATOM 0 HZ3 TRP A 170 28.956 16.159 34.045 1.00 30.66 H new ATOM 0 HH2 TRP A 170 30.611 17.292 35.201 1.00 32.96 H new ATOM 1237 N LEU A 171 27.950 16.020 27.330 1.00 38.73 N ATOM 1238 CA LEU A 171 27.097 15.450 26.288 1.00 40.41 C ATOM 1239 C LEU A 171 27.499 15.883 24.877 1.00 43.46 C ATOM 1240 O LEU A 171 28.660 15.755 24.476 1.00 43.38 O ATOM 1241 CB LEU A 171 25.627 15.810 26.550 1.00 38.53 C ATOM 1242 CG LEU A 171 25.021 15.173 27.806 1.00 38.59 C ATOM 1243 CD1 LEU A 171 23.688 15.804 28.165 1.00 37.78 C ATOM 1244 CD2 LEU A 171 24.873 13.678 27.564 1.00 37.78 C ATOM 0 H LEU A 171 28.253 15.441 27.889 1.00 38.73 H new ATOM 0 HA LEU A 171 27.215 14.488 26.330 1.00 40.41 H new ATOM 0 HB2 LEU A 171 25.552 16.774 26.624 1.00 38.53 H new ATOM 0 HB3 LEU A 171 25.100 15.542 25.781 1.00 38.53 H new ATOM 0 HG LEU A 171 25.611 15.327 28.560 1.00 38.59 H new ATOM 0 HD11 LEU A 171 23.333 15.379 28.962 1.00 37.78 H new ATOM 0 HD12 LEU A 171 23.813 16.751 28.332 1.00 37.78 H new ATOM 0 HD13 LEU A 171 23.065 15.685 27.431 1.00 37.78 H new ATOM 0 HD21 LEU A 171 24.490 13.259 28.351 1.00 37.78 H new ATOM 0 HD22 LEU A 171 24.290 13.529 26.803 1.00 37.78 H new ATOM 0 HD23 LEU A 171 25.744 13.291 27.384 1.00 37.78 H new ATOM 1245 N ASP A 172 26.524 16.392 24.131 1.00 46.13 N ATOM 1246 CA ASP A 172 26.720 16.835 22.753 1.00 49.68 C ATOM 1247 C ASP A 172 26.583 18.365 22.682 1.00 49.54 C ATOM 1248 O ASP A 172 25.473 18.904 22.754 1.00 48.03 O ATOM 1249 CB ASP A 172 25.654 16.176 21.870 1.00 52.18 C ATOM 1250 CG ASP A 172 26.080 16.044 20.427 1.00 54.83 C ATOM 1251 OD1 ASP A 172 26.593 17.029 19.856 1.00 55.81 O ATOM 1252 OD2 ASP A 172 25.885 14.947 19.861 1.00 56.17 O ATOM 0 H ASP A 172 25.718 16.492 24.414 1.00 46.13 H new ATOM 0 HA ASP A 172 27.604 16.583 22.444 1.00 49.68 H new ATOM 0 HB2 ASP A 172 25.448 15.296 22.223 1.00 52.18 H new ATOM 0 HB3 ASP A 172 24.837 16.698 21.914 1.00 52.18 H new ATOM 1253 N LYS A 173 27.708 19.058 22.543 1.00 50.90 N ATOM 1254 CA LYS A 173 27.704 20.518 22.477 1.00 52.12 C ATOM 1255 C LYS A 173 26.770 21.033 21.381 1.00 51.78 C ATOM 1256 O LYS A 173 26.059 22.025 21.559 1.00 50.25 O ATOM 1257 CB LYS A 173 29.120 21.027 22.231 1.00 54.96 C ATOM 1258 CG LYS A 173 30.222 20.074 22.706 1.00 59.70 C ATOM 1259 CD LYS A 173 30.086 19.643 24.178 1.00 61.29 C ATOM 1260 CE LYS A 173 30.361 20.786 25.138 1.00 62.66 C ATOM 1261 NZ LYS A 173 30.349 20.345 26.557 1.00 59.26 N ATOM 0 H LYS A 173 28.488 18.701 22.485 1.00 50.90 H new ATOM 0 HA LYS A 173 27.377 20.853 23.327 1.00 52.12 H new ATOM 0 HB2 LYS A 173 29.234 21.189 21.282 1.00 54.96 H new ATOM 0 HB3 LYS A 173 29.229 21.880 22.680 1.00 54.96 H new ATOM 0 HG2 LYS A 173 30.216 19.283 22.145 1.00 59.70 H new ATOM 0 HG3 LYS A 173 31.083 20.503 22.582 1.00 59.70 H new ATOM 0 HD2 LYS A 173 29.191 19.302 24.332 1.00 61.29 H new ATOM 0 HD3 LYS A 173 30.702 18.916 24.359 1.00 61.29 H new ATOM 0 HE2 LYS A 173 31.223 21.179 24.931 1.00 62.66 H new ATOM 0 HE3 LYS A 173 29.695 21.480 25.011 1.00 62.66 H new ATOM 0 HZ1 LYS A 173 30.398 21.056 27.090 1.00 59.26 H new ATOM 0 HZ2 LYS A 173 29.596 19.901 26.724 1.00 59.26 H new ATOM 0 HZ3 LYS A 173 31.046 19.813 26.709 1.00 59.26 H new ATOM 1262 N GLN A 174 26.766 20.346 20.245 1.00 51.52 N ATOM 1263 CA GLN A 174 25.908 20.735 19.138 1.00 50.72 C ATOM 1264 C GLN A 174 24.449 20.660 19.535 1.00 49.35 C ATOM 1265 O GLN A 174 23.597 21.261 18.893 1.00 48.92 O ATOM 1266 CB GLN A 174 26.152 19.834 17.926 1.00 53.94 C ATOM 1267 CG GLN A 174 27.329 20.264 17.070 1.00 57.87 C ATOM 1268 CD GLN A 174 27.431 19.467 15.783 1.00 61.22 C ATOM 1269 OE1 GLN A 174 26.433 19.275 15.076 1.00 62.72 O ATOM 1270 NE2 GLN A 174 28.641 19.006 15.461 1.00 61.70 N ATOM 0 H GLN A 174 27.253 19.653 20.096 1.00 51.52 H new ATOM 0 HA GLN A 174 26.124 21.651 18.904 1.00 50.72 H new ATOM 0 HB2 GLN A 174 26.301 18.926 18.233 1.00 53.94 H new ATOM 0 HB3 GLN A 174 25.352 19.820 17.378 1.00 53.94 H new ATOM 0 HG2 GLN A 174 27.244 21.207 16.858 1.00 57.87 H new ATOM 0 HG3 GLN A 174 28.149 20.161 17.577 1.00 57.87 H new ATOM 0 HE21 GLN A 174 29.311 19.160 15.978 1.00 61.70 H new ATOM 0 HE22 GLN A 174 28.751 18.555 14.737 1.00 61.70 H new ATOM 1271 N ALA A 175 24.155 19.930 20.604 1.00 45.58 N ATOM 1272 CA ALA A 175 22.776 19.798 21.040 1.00 44.03 C ATOM 1273 C ALA A 175 22.433 20.765 22.167 1.00 42.98 C ATOM 1274 O ALA A 175 21.281 20.842 22.602 1.00 41.12 O ATOM 1275 CB ALA A 175 22.507 18.354 21.481 1.00 44.68 C ATOM 0 H ALA A 175 24.732 19.509 21.084 1.00 45.58 H new ATOM 0 HA ALA A 175 22.207 20.022 20.287 1.00 44.03 H new ATOM 0 HB1 ALA A 175 21.585 18.270 21.771 1.00 44.68 H new ATOM 0 HB2 ALA A 175 22.667 17.753 20.737 1.00 44.68 H new ATOM 0 HB3 ALA A 175 23.099 18.124 22.214 1.00 44.68 H new ATOM 1276 N GLU A 176 23.437 21.502 22.630 1.00 43.41 N ATOM 1277 CA GLU A 176 23.250 22.445 23.724 1.00 45.49 C ATOM 1278 C GLU A 176 22.369 23.607 23.283 1.00 45.21 C ATOM 1279 O GLU A 176 22.664 24.278 22.296 1.00 44.69 O ATOM 1280 CB GLU A 176 24.614 22.965 24.215 1.00 46.54 C ATOM 1281 CG GLU A 176 24.546 23.734 25.535 1.00 50.52 C ATOM 1282 CD GLU A 176 25.917 24.006 26.146 1.00 53.16 C ATOM 1283 OE1 GLU A 176 26.677 23.040 26.390 1.00 55.60 O ATOM 1284 OE2 GLU A 176 26.238 25.190 26.391 1.00 54.13 O ATOM 0 H GLU A 176 24.239 21.470 22.321 1.00 43.41 H new ATOM 0 HA GLU A 176 22.808 21.986 24.456 1.00 45.49 H new ATOM 0 HB2 GLU A 176 25.218 22.213 24.320 1.00 46.54 H new ATOM 0 HB3 GLU A 176 24.994 23.542 23.534 1.00 46.54 H new ATOM 0 HG2 GLU A 176 24.091 24.578 25.387 1.00 50.52 H new ATOM 0 HG3 GLU A 176 24.011 23.231 26.168 1.00 50.52 H new ATOM 1285 N ILE A 177 21.288 23.834 24.021 1.00 44.85 N ATOM 1286 CA ILE A 177 20.361 24.910 23.716 1.00 44.55 C ATOM 1287 C ILE A 177 20.752 26.218 24.409 1.00 44.95 C ATOM 1288 O ILE A 177 20.622 27.293 23.827 1.00 44.32 O ATOM 1289 CB ILE A 177 18.931 24.529 24.133 1.00 45.58 C ATOM 1290 CG1 ILE A 177 18.543 23.202 23.475 1.00 46.31 C ATOM 1291 CG2 ILE A 177 17.950 25.623 23.710 1.00 46.84 C ATOM 1292 CD1 ILE A 177 17.147 22.705 23.850 1.00 46.68 C ATOM 0 H ILE A 177 21.074 23.368 24.711 1.00 44.85 H new ATOM 0 HA ILE A 177 20.399 25.048 22.757 1.00 44.55 H new ATOM 0 HB ILE A 177 18.896 24.434 25.098 1.00 45.58 H new ATOM 0 HG12 ILE A 177 18.592 23.303 22.512 1.00 46.31 H new ATOM 0 HG13 ILE A 177 19.194 22.527 23.723 1.00 46.31 H new ATOM 0 HG21 ILE A 177 17.052 25.373 23.977 1.00 46.84 H new ATOM 0 HG22 ILE A 177 18.193 26.459 24.137 1.00 46.84 H new ATOM 0 HG23 ILE A 177 17.982 25.732 22.747 1.00 46.84 H new ATOM 0 HD11 ILE A 177 16.970 21.865 23.399 1.00 46.68 H new ATOM 0 HD12 ILE A 177 17.097 22.573 24.810 1.00 46.68 H new ATOM 0 HD13 ILE A 177 16.486 23.362 23.580 1.00 46.68 H new ATOM 1293 N SER A 178 21.225 26.124 25.649 1.00 42.88 N ATOM 1294 CA SER A 178 21.628 27.304 26.414 1.00 42.38 C ATOM 1295 C SER A 178 22.437 26.935 27.650 1.00 41.24 C ATOM 1296 O SER A 178 22.474 25.774 28.072 1.00 38.47 O ATOM 1297 CB SER A 178 20.403 28.127 26.835 1.00 43.69 C ATOM 1298 OG SER A 178 19.518 27.381 27.652 1.00 49.40 O ATOM 0 H SER A 178 21.321 25.380 26.069 1.00 42.88 H new ATOM 0 HA SER A 178 22.191 27.836 25.830 1.00 42.38 H new ATOM 0 HB2 SER A 178 20.695 28.918 27.314 1.00 43.69 H new ATOM 0 HB3 SER A 178 19.932 28.432 26.044 1.00 43.69 H new ATOM 0 HG SER A 178 18.862 27.860 27.865 1.00 49.40 H new ATOM 1299 N ALA A 179 23.097 27.937 28.215 1.00 41.09 N ATOM 1300 CA ALA A 179 23.929 27.770 29.397 1.00 40.78 C ATOM 1301 C ALA A 179 23.725 28.989 30.279 1.00 43.45 C ATOM 1302 O ALA A 179 23.749 30.122 29.792 1.00 43.23 O ATOM 1303 CB ALA A 179 25.384 27.653 28.994 1.00 38.55 C ATOM 0 H ALA A 179 23.074 28.744 27.918 1.00 41.09 H new ATOM 0 HA ALA A 179 23.684 26.962 29.875 1.00 40.78 H new ATOM 0 HB1 ALA A 179 25.932 27.542 29.787 1.00 38.55 H new ATOM 0 HB2 ALA A 179 25.498 26.885 28.413 1.00 38.55 H new ATOM 0 HB3 ALA A 179 25.655 28.457 28.524 1.00 38.55 H new ATOM 1304 N SER A 180 23.519 28.753 31.571 1.00 45.51 N ATOM 1305 CA SER A 180 23.289 29.825 32.534 1.00 48.88 C ATOM 1306 C SER A 180 24.205 29.683 33.726 1.00 51.70 C ATOM 1307 O SER A 180 24.636 28.583 34.066 1.00 50.08 O ATOM 1308 CB SER A 180 21.853 29.783 33.048 1.00 48.86 C ATOM 1309 OG SER A 180 20.942 29.503 32.002 1.00 55.22 O ATOM 0 H SER A 180 23.509 27.965 31.915 1.00 45.51 H new ATOM 0 HA SER A 180 23.462 30.663 32.077 1.00 48.88 H new ATOM 0 HB2 SER A 180 21.774 29.107 33.739 1.00 48.86 H new ATOM 0 HB3 SER A 180 21.628 30.633 33.457 1.00 48.86 H new ATOM 0 HG SER A 180 20.526 28.794 32.175 1.00 55.22 H new ATOM 1310 N ALA A 181 24.478 30.805 34.374 1.00 55.09 N ATOM 1311 CA ALA A 181 25.318 30.826 35.558 1.00 58.59 C ATOM 1312 C ALA A 181 24.646 31.740 36.575 1.00 61.21 C ATOM 1313 O ALA A 181 24.330 32.892 36.262 1.00 60.62 O ATOM 1314 CB ALA A 181 26.700 31.348 35.208 1.00 58.74 C ATOM 0 H ALA A 181 24.181 31.577 34.139 1.00 55.09 H new ATOM 0 HA ALA A 181 25.423 29.933 35.922 1.00 58.59 H new ATOM 0 HB1 ALA A 181 27.253 31.358 36.005 1.00 58.74 H new ATOM 0 HB2 ALA A 181 27.105 30.771 34.541 1.00 58.74 H new ATOM 0 HB3 ALA A 181 26.626 32.248 34.854 1.00 58.74 H new ATOM 1315 N PRO A 182 24.392 31.231 37.797 1.00 63.83 N ATOM 1316 CA PRO A 182 23.752 32.033 38.848 1.00 66.09 C ATOM 1317 C PRO A 182 24.580 33.289 39.088 1.00 67.82 C ATOM 1318 O PRO A 182 24.054 34.399 39.141 1.00 68.22 O ATOM 1319 CB PRO A 182 23.768 31.096 40.056 1.00 65.54 C ATOM 1320 CG PRO A 182 23.661 29.742 39.426 1.00 65.87 C ATOM 1321 CD PRO A 182 24.629 29.854 38.264 1.00 64.91 C ATOM 0 HA PRO A 182 22.855 32.336 38.638 1.00 66.09 H new ATOM 0 HB2 PRO A 182 24.583 31.189 40.573 1.00 65.54 H new ATOM 0 HB3 PRO A 182 23.028 31.272 40.658 1.00 65.54 H new ATOM 0 HG2 PRO A 182 23.913 29.035 40.041 1.00 65.87 H new ATOM 0 HG3 PRO A 182 22.758 29.551 39.128 1.00 65.87 H new ATOM 0 HD2 PRO A 182 25.548 29.719 38.543 1.00 64.91 H new ATOM 0 HD3 PRO A 182 24.443 29.199 37.573 1.00 64.91 H new ATOM 1322 N THR A 183 25.885 33.080 39.230 1.00 69.85 N ATOM 1323 CA THR A 183 26.857 34.148 39.450 1.00 72.08 C ATOM 1324 C THR A 183 28.040 33.875 38.526 1.00 72.85 C ATOM 1325 O THR A 183 28.072 32.851 37.847 1.00 73.33 O ATOM 1326 CB THR A 183 27.365 34.157 40.907 1.00 72.49 C ATOM 1327 OG1 THR A 183 27.691 32.819 41.300 1.00 73.79 O ATOM 1328 CG2 THR A 183 26.309 34.722 41.851 1.00 73.03 C ATOM 0 H THR A 183 26.238 32.297 39.201 1.00 69.85 H new ATOM 0 HA THR A 183 26.440 35.006 39.272 1.00 72.08 H new ATOM 0 HB THR A 183 28.152 34.722 40.957 1.00 72.49 H new ATOM 0 HG1 THR A 183 27.970 32.820 42.092 1.00 73.79 H new ATOM 0 HG21 THR A 183 26.651 34.717 42.759 1.00 73.03 H new ATOM 0 HG22 THR A 183 26.096 35.632 41.591 1.00 73.03 H new ATOM 0 HG23 THR A 183 25.508 34.177 41.805 1.00 73.03 H new ATOM 1329 N SER A 184 29.012 34.781 38.499 1.00 73.88 N ATOM 1330 CA SER A 184 30.182 34.599 37.641 1.00 74.45 C ATOM 1331 C SER A 184 31.018 33.406 38.108 1.00 74.44 C ATOM 1332 O SER A 184 31.136 33.153 39.307 1.00 73.82 O ATOM 1333 CB SER A 184 31.054 35.856 37.654 1.00 74.87 C ATOM 1334 OG SER A 184 31.763 35.963 38.878 1.00 76.19 O ATOM 0 H SER A 184 29.016 35.503 38.965 1.00 73.88 H new ATOM 0 HA SER A 184 29.865 34.433 36.739 1.00 74.45 H new ATOM 0 HB2 SER A 184 31.680 35.828 36.914 1.00 74.87 H new ATOM 0 HB3 SER A 184 30.499 36.641 37.527 1.00 74.87 H new ATOM 0 HG SER A 184 32.237 36.656 38.868 1.00 76.19 H new ATOM 1335 N LEU A 185 31.597 32.685 37.149 1.00 74.80 N ATOM 1336 CA LEU A 185 32.432 31.520 37.437 1.00 74.66 C ATOM 1337 C LEU A 185 33.791 31.956 37.973 1.00 74.46 C ATOM 1338 O LEU A 185 34.401 32.886 37.448 1.00 74.59 O ATOM 1339 CB LEU A 185 32.636 30.693 36.165 1.00 74.45 C ATOM 1340 CG LEU A 185 31.377 30.175 35.463 1.00 75.30 C ATOM 1341 CD1 LEU A 185 31.756 29.526 34.146 1.00 74.67 C ATOM 1342 CD2 LEU A 185 30.653 29.182 36.363 1.00 75.41 C ATOM 0 H LEU A 185 31.516 32.859 36.311 1.00 74.80 H new ATOM 0 HA LEU A 185 31.982 30.982 38.107 1.00 74.66 H new ATOM 0 HB2 LEU A 185 33.134 31.233 35.531 1.00 74.45 H new ATOM 0 HB3 LEU A 185 33.193 29.930 36.387 1.00 74.45 H new ATOM 0 HG LEU A 185 30.780 30.918 35.282 1.00 75.30 H new ATOM 0 HD11 LEU A 185 30.957 29.199 33.704 1.00 74.67 H new ATOM 0 HD12 LEU A 185 32.195 30.178 33.578 1.00 74.67 H new ATOM 0 HD13 LEU A 185 32.359 28.785 34.312 1.00 74.67 H new ATOM 0 HD21 LEU A 185 29.857 28.858 35.913 1.00 75.41 H new ATOM 0 HD22 LEU A 185 31.240 28.435 36.559 1.00 75.41 H new ATOM 0 HD23 LEU A 185 30.400 29.620 37.191 1.00 75.41 H new ATOM 1343 N ARG A 186 34.261 31.282 39.017 1.00 74.36 N ATOM 1344 CA ARG A 186 35.554 31.602 39.616 1.00 74.09 C ATOM 1345 C ARG A 186 36.623 30.590 39.226 1.00 73.64 C ATOM 1346 O ARG A 186 36.423 29.381 39.325 1.00 72.99 O ATOM 1347 CB ARG A 186 35.435 31.666 41.138 1.00 74.83 C ATOM 1348 CG ARG A 186 34.543 32.783 41.626 1.00 75.71 C ATOM 1349 CD ARG A 186 34.584 32.904 43.135 1.00 77.77 C ATOM 1350 NE ARG A 186 33.951 34.141 43.588 1.00 78.69 N ATOM 1351 CZ ARG A 186 33.974 34.581 44.841 1.00 78.95 C ATOM 1352 NH1 ARG A 186 34.598 33.886 45.783 1.00 78.84 N ATOM 1353 NH2 ARG A 186 33.384 35.728 45.150 1.00 79.92 N ATOM 0 H ARG A 186 33.845 30.632 39.396 1.00 74.36 H new ATOM 0 HA ARG A 186 35.823 32.470 39.276 1.00 74.09 H new ATOM 0 HB2 ARG A 186 35.090 30.820 41.464 1.00 74.83 H new ATOM 0 HB3 ARG A 186 36.320 31.778 41.520 1.00 74.83 H new ATOM 0 HG2 ARG A 186 34.822 33.621 41.225 1.00 75.71 H new ATOM 0 HG3 ARG A 186 33.631 32.621 41.338 1.00 75.71 H new ATOM 0 HD2 ARG A 186 34.134 32.143 43.535 1.00 77.77 H new ATOM 0 HD3 ARG A 186 35.505 32.880 43.438 1.00 77.77 H new ATOM 0 HE ARG A 186 33.536 34.616 43.004 1.00 78.69 H new ATOM 0 HH11 ARG A 186 34.990 33.147 45.584 1.00 78.84 H new ATOM 0 HH12 ARG A 186 34.611 34.174 46.593 1.00 78.84 H new ATOM 0 HH21 ARG A 186 32.987 36.186 44.539 1.00 79.92 H new ATOM 0 HH22 ARG A 186 33.398 36.014 45.961 1.00 79.92 H new ATOM 1354 N SER A 187 37.764 31.098 38.780 1.00 73.20 N ATOM 1355 CA SER A 187 38.863 30.246 38.361 1.00 73.29 C ATOM 1356 C SER A 187 39.632 29.681 39.546 1.00 72.86 C ATOM 1357 O SER A 187 39.707 30.301 40.606 1.00 72.90 O ATOM 1358 CB SER A 187 39.821 31.035 37.464 1.00 73.87 C ATOM 1359 OG SER A 187 40.953 30.255 37.111 1.00 75.06 O ATOM 0 H SER A 187 37.921 31.941 38.712 1.00 73.20 H new ATOM 0 HA SER A 187 38.481 29.501 37.870 1.00 73.29 H new ATOM 0 HB2 SER A 187 39.357 31.318 36.661 1.00 73.87 H new ATOM 0 HB3 SER A 187 40.110 31.839 37.923 1.00 73.87 H new ATOM 0 HG SER A 187 41.462 30.707 36.619 1.00 75.06 H new ATOM 1360 N CYS A 188 40.194 28.492 39.358 1.00 71.91 N ATOM 1361 CA CYS A 188 40.988 27.856 40.395 1.00 71.27 C ATOM 1362 C CYS A 188 42.434 28.259 40.178 1.00 72.72 C ATOM 1363 O CYS A 188 43.354 27.479 40.416 1.00 72.71 O ATOM 1364 CB CYS A 188 40.840 26.338 40.323 1.00 68.26 C ATOM 1365 SG CYS A 188 39.359 25.745 41.196 1.00 65.15 S ATOM 0 H CYS A 188 40.125 28.037 38.632 1.00 71.91 H new ATOM 0 HA CYS A 188 40.687 28.138 41.273 1.00 71.27 H new ATOM 0 HB2 CYS A 188 40.796 26.063 39.394 1.00 68.26 H new ATOM 0 HB3 CYS A 188 41.627 25.920 40.706 1.00 68.26 H new ATOM 1366 N ASP A 189 42.616 29.493 39.713 1.00 74.38 N ATOM 1367 CA ASP A 189 43.939 30.046 39.449 1.00 75.67 C ATOM 1368 C ASP A 189 44.203 31.228 40.375 1.00 76.46 C ATOM 1369 O ASP A 189 45.046 31.077 41.287 1.00 77.50 O ATOM 1370 CB ASP A 189 44.036 30.493 37.989 1.00 76.05 C ATOM 1371 OXT ASP A 189 43.557 32.283 40.184 1.00 76.55 O ATOM 0 H ASP A 189 41.971 30.035 39.541 1.00 74.38 H new ATOM 0 HA ASP A 189 44.606 29.362 39.614 1.00 75.67 H new TER 1372 ASP A 189 HETATM 1373 CA CA A 401 31.352 19.382 50.824 1.00 39.52 CA HETATM 1374 ZN ZN A 501 10.192 10.397 32.092 0.50 37.48 ZN HETATM 1375 C1 NOG A 301 24.387 9.850 30.697 1.00 39.21 C HETATM 1376 C2 NOG A 301 25.807 10.268 30.326 1.00 38.89 C HETATM 1377 C3 NOG A 301 26.139 11.720 30.561 1.00 36.35 C HETATM 1378 C4 NOG A 301 25.314 12.488 31.520 1.00 33.85 C HETATM 1379 C5 NOG A 301 24.244 11.966 32.181 1.00 37.28 C HETATM 1380 C6 NOG A 301 23.455 12.804 33.172 1.00 35.50 C HETATM 1381 C7 NOG A 301 21.917 12.702 32.962 1.00 36.44 C HETATM 1382 C8 NOG A 301 21.416 11.239 32.899 1.00 36.96 C HETATM 1383 C9 NOG A 301 22.182 10.484 31.782 1.00 37.77 C HETATM 1384 C10 NOG A 301 23.746 10.501 31.974 1.00 37.93 C HETATM 1385 C11 NOG A 301 21.663 9.010 31.626 1.00 37.88 C HETATM 1386 C12 NOG A 301 20.119 8.935 31.435 1.00 37.73 C HETATM 1387 C13 NOG A 301 19.366 9.641 32.595 1.00 39.83 C HETATM 1388 C14 NOG A 301 19.893 11.135 32.649 1.00 37.50 C HETATM 1389 C15 NOG A 301 18.898 11.808 33.614 1.00 39.92 C HETATM 1390 C16 NOG A 301 17.564 11.028 33.414 1.00 40.75 C HETATM 1391 C17 NOG A 301 17.836 9.919 32.372 1.00 41.37 C HETATM 1392 C18 NOG A 301 19.569 8.863 33.950 1.00 37.47 C HETATM 1393 C19 NOG A 301 19.549 7.334 33.945 1.00 41.28 C HETATM 1394 C20 NOG A 301 17.515 10.414 30.988 1.00 45.56 C HETATM 1395 C21 NOG A 301 17.236 10.776 29.914 1.00 47.48 C HETATM 1396 O3 NOG A 301 27.074 12.219 29.975 1.00 37.43 O HETATM 1397 O17 NOG A 301 17.013 8.779 32.601 1.00 43.40 O HETATM 0 HC72 NOG A 301 21.465 13.163 33.685 1.00 36.44 H new HETATM 0 HC71 NOG A 301 21.676 13.158 32.140 1.00 36.44 H new HETATM 0 HC62 NOG A 301 23.673 12.521 34.074 1.00 35.50 H new HETATM 0 HC61 NOG A 301 23.727 13.732 33.093 1.00 35.50 H new HETATM 0 HC22 NOG A 301 26.430 9.724 30.832 1.00 38.89 H new HETATM 0 HC21 NOG A 301 25.952 10.067 29.388 1.00 38.89 H new HETATM 0 HC12 NOG A 301 23.811 10.045 29.941 1.00 39.21 H new HETATM 0 HC11 NOG A 301 24.381 8.888 30.817 1.00 39.21 H new HETATM 0 H21C NOG A 301 17.004 11.077 29.021 1.00 47.48 H new HETATM 0 H193 NOG A 301 18.692 7.022 33.615 1.00 41.28 H new HETATM 0 H192 NOG A 301 20.256 7.003 33.369 1.00 41.28 H new HETATM 0 H191 NOG A 301 19.687 7.005 34.847 1.00 41.28 H new HETATM 0 H182 NOG A 301 20.420 9.142 34.322 1.00 37.47 H new HETATM 0 H181 NOG A 301 18.880 9.162 34.564 1.00 37.47 H new HETATM 0 H17O NOG A 301 16.229 9.029 32.772 1.00 43.40 H new HETATM 0 H162 NOG A 301 17.263 10.644 34.252 1.00 40.75 H new HETATM 0 H161 NOG A 301 16.862 11.623 33.106 1.00 40.75 H new HETATM 0 H152 NOG A 301 19.205 11.752 34.532 1.00 39.92 H new HETATM 0 H151 NOG A 301 18.790 12.750 33.408 1.00 39.92 H new HETATM 0 H14C NOG A 301 19.886 11.623 31.811 1.00 37.50 H new HETATM 0 H122 NOG A 301 19.876 9.348 30.592 1.00 37.73 H new HETATM 0 H121 NOG A 301 19.843 8.006 31.386 1.00 37.73 H new HETATM 0 H112 NOG A 301 22.100 8.596 30.865 1.00 37.88 H new HETATM 0 H111 NOG A 301 21.914 8.498 32.411 1.00 37.88 H new HETATM 0 H10C NOG A 301 24.006 9.998 32.761 1.00 37.93 H new HETATM 0 HC9 NOG A 301 21.997 10.970 30.963 1.00 37.77 H new HETATM 0 HC8 NOG A 301 21.588 10.836 33.765 1.00 36.96 H new HETATM 0 HC4 NOG A 301 25.548 13.414 31.687 1.00 33.85 H new HETATM 1398 C1 IPA A 502 35.537 6.734 26.090 1.00 54.18 C HETATM 1399 C2 IPA A 502 36.386 6.467 27.202 1.00 55.87 C HETATM 1400 C3 IPA A 502 36.424 5.009 27.490 1.00 55.06 C HETATM 1401 O2 IPA A 502 37.686 7.001 26.876 1.00 56.43 O HETATM 0 HO2 IPA A 502 38.214 6.862 27.514 1.00 56.43 H new HETATM 0 H33 IPA A 502 35.529 4.696 27.695 1.00 55.06 H new HETATM 0 H32 IPA A 502 36.762 4.534 26.715 1.00 55.06 H new HETATM 0 H31 IPA A 502 37.005 4.844 28.249 1.00 55.06 H new HETATM 0 H2 IPA A 502 36.057 6.888 28.011 1.00 55.87 H new HETATM 0 H13 IPA A 502 35.871 6.267 25.308 1.00 54.18 H new HETATM 0 H12 IPA A 502 34.638 6.429 26.288 1.00 54.18 H new HETATM 0 H11 IPA A 502 35.523 7.688 25.915 1.00 54.18 H new HETATM 1402 O HOH A 503 34.480 -0.529 41.769 1.00 36.23 O HETATM 1403 O HOH A 504 17.376 0.804 44.960 1.00 30.13 O HETATM 1404 O HOH A 505 15.543 0.277 40.617 1.00 23.55 O HETATM 1405 O HOH A 506 24.484 3.225 24.030 1.00 38.83 O HETATM 1406 O HOH A 507 20.498 26.334 30.980 1.00 33.78 O HETATM 1407 O HOH A 508 30.408 7.045 48.077 1.00 32.19 O HETATM 1408 O HOH A 509 33.977 -1.987 37.546 1.00 37.32 O HETATM 1409 O HOH A 510 22.784 2.294 21.632 1.00 33.51 O HETATM 1410 O HOH A 511 22.571 -4.223 30.837 1.00 37.31 O HETATM 1411 O HOH A 512 31.819 18.373 53.141 1.00 41.64 O HETATM 1412 O HOH A 513 16.333 1.459 47.140 1.00 32.14 O HETATM 1413 O HOH A 514 23.790 35.179 36.413 1.00 47.44 O HETATM 1414 O HOH A 515 33.152 29.051 39.867 1.00 38.94 O HETATM 1415 O HOH A 516 40.823 4.911 47.491 1.00 38.77 O HETATM 1416 O HOH A 517 13.193 5.744 49.174 1.00 52.08 O HETATM 1417 O HOH A 518 36.472 10.145 26.173 1.00 57.16 O HETATM 1418 O HOH A 519 30.909 -4.430 35.009 1.00 35.55 O HETATM 1419 O HOH A 520 19.828 1.947 45.826 1.00 39.84 O HETATM 1420 O HOH A 521 31.841 12.740 56.388 1.00 55.40 O HETATM 1421 O HOH A 522 41.324 15.273 44.394 1.00 39.06 O HETATM 1422 O HOH A 523 8.823 11.213 33.089 1.00 42.16 O HETATM 1423 O HOH A 524 30.334 12.243 53.475 1.00 43.76 O HETATM 1424 O HOH A 525 39.815 23.501 31.308 1.00 42.29 O HETATM 1425 O HOH A 526 42.273 13.283 52.152 1.00 57.60 O HETATM 1426 O HOH A 527 35.342 33.321 33.697 1.00 51.02 O HETATM 1427 O HOH A 528 28.582 -6.596 29.256 1.00 49.49 O HETATM 1428 O HOH A 529 39.454 -1.526 36.611 1.00 57.05 O HETATM 1429 O HOH A 530 26.396 11.876 54.130 1.00 42.72 O HETATM 1430 O HOH A 531 28.926 17.944 54.877 1.00 53.08 O HETATM 1431 O HOH A 532 27.835 -6.302 35.118 1.00 33.28 O HETATM 1432 O HOH A 533 31.414 33.372 43.584 1.00 51.78 O HETATM 1433 O HOH A 534 32.394 24.829 33.502 1.00 61.67 O HETATM 1434 O HOH A 535 29.387 19.191 51.775 1.00 39.90 O HETATM 1435 O HOH A 536 34.985 5.974 51.900 1.00 43.01 O HETATM 1436 O HOH A 537 31.687 -2.456 35.965 1.00 40.16 O HETATM 1437 O HOH A 538 13.486 3.175 45.534 1.00 42.00 O HETATM 1438 O HOH A 539 13.740 6.966 44.376 1.00 39.87 O HETATM 1439 O HOH A 540 31.061 24.222 31.553 1.00 59.83 O HETATM 1440 O HOH A 541 22.273 4.649 25.064 1.00 62.69 O HETATM 1441 O HOH A 542 13.346 0.914 44.009 1.00 44.13 O HETATM 1442 O HOH A 543 27.547 32.729 45.636 1.00 52.46 O HETATM 1443 O HOH A 544 21.356 22.953 50.313 1.00 54.00 O HETATM 1444 O HOH A 545 14.368 6.418 53.623 1.00 48.10 O HETATM 1445 O HOH A 546 24.573 23.327 45.806 1.00 44.51 O HETATM 1446 O HOH A 547 25.359 31.353 43.553 1.00 51.55 O HETATM 1447 O HOH A 548 10.768 19.631 29.430 1.00 63.08 O HETATM 1448 O HOH A 549 21.313 11.678 54.485 1.00 42.93 O HETATM 1449 O HOH A 550 9.348 14.051 32.358 1.00 62.59 O HETATM 1450 O HOH A 551 24.166 -1.954 28.547 1.00 48.25 O HETATM 1451 O HOH A 552 31.915 -4.037 32.258 1.00 58.00 O HETATM 1452 O HOH A 553 11.419 0.455 38.773 1.00 56.67 O HETATM 1453 O HOH A 554 25.819 22.875 50.766 1.00 48.89 O HETATM 1454 O HOH A 555 22.317 22.464 45.304 1.00 56.48 O HETATM 1455 O HOH A 556 29.412 22.989 44.981 1.00 41.72 O HETATM 1456 O HOH A 557 40.018 4.330 39.372 1.00 43.15 O HETATM 1457 O HOH A 558 29.358 23.598 23.735 1.00 70.87 O HETATM 1458 O HOH A 559 28.493 14.727 55.600 1.00 37.47 O HETATM 1459 O HOH A 560 14.062 22.078 38.806 1.00 45.28 O HETATM 1460 O HOH A 561 29.917 3.245 25.406 1.00 45.70 O HETATM 1461 O HOH A 562 7.219 10.721 30.544 1.00 57.04 O HETATM 1462 O HOH A 563 44.910 0.126 42.656 1.00 57.01 O HETATM 1463 O HOH A 564 34.406 15.584 24.232 1.00 52.63 O HETATM 1464 O HOH A 565 37.738 1.441 42.512 1.00 56.60 O HETATM 1465 O HOH A 566 16.564 25.234 33.052 1.00 51.23 O CONECT 291 1373 CONECT 292 1373 CONECT 303 1373 CONECT 409 1374 CONECT 565 1374 CONECT 967 1374 CONECT 1143 1373 CONECT 1178 1365 CONECT 1365 1178 CONECT 1373 291 292 303 1143 CONECT 1373 1411 1434 CONECT 1374 409 565 967 1422 CONECT 1375 1376 1384 CONECT 1376 1375 1377 CONECT 1377 1376 1378 1396 CONECT 1378 1377 1379 CONECT 1379 1378 1380 1384 CONECT 1380 1379 1381 CONECT 1381 1380 1382 CONECT 1382 1381 1383 1388 CONECT 1383 1382 1384 1385 CONECT 1384 1375 1379 1383 CONECT 1385 1383 1386 CONECT 1386 1385 1387 CONECT 1387 1386 1388 1391 1392 CONECT 1388 1382 1387 1389 CONECT 1389 1388 1390 CONECT 1390 1389 1391 CONECT 1391 1387 1390 1394 1397 CONECT 1392 1387 1393 CONECT 1393 1392 CONECT 1394 1391 1395 CONECT 1395 1394 CONECT 1396 1377 CONECT 1397 1391 CONECT 1398 1399 CONECT 1399 1398 1400 1401 CONECT 1400 1399 CONECT 1401 1399 CONECT 1411 1373 CONECT 1422 1374 CONECT 1434 1373 END