USER MOD reduce.3.24.130724 H: found=0, std=0, add=1432, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSPORT PROTEIN 17-APR-02 1LHN TITLE CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN TITLE 2 COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17ALPHA-DIOL 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, 17A-DHA, 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 1LHN 1 VERSN REVDAT 1 23-OCT-02 1LHN 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 : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.09 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 : 10397 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) : 0.198 REMARK 3 FREE R VALUE : 0.239 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 : 1409 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 23 REMARK 3 SOLVENT ATOMS : 88 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) : 1.600 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 1LHN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-APR-02. REMARK 100 THE RCSB ID CODE IS RCSB015947. 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 : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11516 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 (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03200 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 (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.28000 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 (%): 41.16 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HEPES, CALCIUM CHLORIDE, 17A-DHA, REMARK 280 PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 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 51.95000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 29.99335 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 28.16000 REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 51.95000 REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 29.99335 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 28.16000 REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 51.95000 REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 29.99335 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 28.16000 REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 51.95000 REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 29.99335 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 28.16000 REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 51.95000 REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 29.99335 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 28.16000 REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 51.95000 REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 29.99335 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 28.16000 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 59.98669 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 56.32000 REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 59.98669 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 56.32000 REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 59.98669 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 56.32000 REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 59.98669 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 56.32000 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 59.98669 REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 56.32000 REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 59.98669 REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 56.32000 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 84.48000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 502 LIES ON A SPECIAL POSITION. 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 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 564 O HOH A 564 17555 1.29 REMARK 500 O HOH A 525 O HOH A 525 5556 1.59 REMARK 500 O HOH A 558 O HOH A 558 16545 1.84 REMARK 500 O HOH A 529 O HOH A 533 14544 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. = 14.5 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 ASN A 61 116.12 -163.65 REMARK 500 ASP A 96 47.23 -92.74 REMARK 500 SER A 133 -158.70 -80.50 REMARK 500 LEU A 171 -129.22 47.20 REMARK 500 THR A 183 -134.65 -134.95 REMARK 500 CYS A 188 45.54 -92.40 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 528 DISTANCE = 5.06 ANGSTROMS REMARK 525 HOH A 564 DISTANCE = 6.45 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 ASP A 50 OD2 REMARK 620 2 GLU A 52 O 101.8 REMARK 620 3 ALA A 160 O 91.4 84.9 REMARK 620 4 ASP A 50 OD1 55.4 79.3 138.4 REMARK 620 5 HOH A 506 O 111.6 94.2 156.6 63.7 REMARK 620 6 HOH A 511 O 169.6 85.2 81.6 134.3 75.0 REMARK 620 7 HOH A 524 O 91.0 167.2 94.1 109.2 81.7 82.0 REMARK 620 N 1 2 3 4 5 6 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 537 O 109.5 REMARK 620 3 ASP A 65 OD1 111.9 130.2 REMARK 620 4 HIS A 83 NE2 105.7 88.4 105.6 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 AON A 301 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: 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: 1LHV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH NORGESTREL 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 1LHN 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 AON A 301 21 HETNAM CA CALCIUM ION HETNAM ZN ZINC ION HETNAM AON 5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-DIOL FORMUL 2 CA CA 2+ FORMUL 3 ZN ZN 2+ FORMUL 4 AON C19 H32 O2 FORMUL 5 HOH *88(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 ALA A 15 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 42 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 PHE A 56 O LEU A 69 SHEET 5 B 7 ILE A 138 LEU A 143 -1 O ALA A 142 N TYR A 57 SHEET 6 B 7 ALA A 28 ASP A 33 -1 N PHE A 32 O MET A 139 SHEET 7 B 7 GLU A 176 SER A 180 -1 O ILE A 177 N THR A 31 SSBOND *** CYS A 164 CYS A 188 1555 1555 2.04 LINK CA CA A 401 OD2 ASP A 50 1555 1555 2.23 LINK CA CA A 401 O GLU A 52 1555 1555 2.31 LINK CA CA A 401 O ALA A 160 1555 1555 2.28 LINK CA CA A 401 OD1 ASP A 50 1555 1555 2.47 LINK CA CA A 401 O HOH A 506 1555 1555 2.52 LINK CA CA A 401 O HOH A 511 1555 1555 2.20 LINK CA CA A 401 O HOH A 524 1555 1555 2.40 LINK ZN ZN A 501 NE2 HIS A 136 1555 1555 2.16 LINK ZN ZN A 501 O HOH A 537 1555 1555 2.08 LINK ZN ZN A 501 OD1 ASP A 65 1555 1555 2.57 LINK ZN ZN A 501 NE2 HIS A 83 1555 1555 2.39 SITE *** AC1 6 ASP A 50 GLU A 52 ALA A 160 HOH A 506 SITE *** AC1 6 HOH A 511 HOH A 524 SITE *** AC2 4 ASP A 65 HIS A 83 HIS A 136 HOH A 537 SITE *** AC3 9 THR A 40 SER A 41 SER A 42 ASP A 65 SITE *** AC3 9 TRP A 66 PHE A 67 VAL A 105 MET A 107 SITE *** AC3 9 HOH A 549 CRYST1 103.900 103.900 84.480 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 0.009625 0.005557 0.000000 0.00000 SCALE2 0.000000 0.011114 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011837 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot 92:sc= 0.641 USER MOD Set 1.2: A 301 AON O3 : rot 73:sc= 0.663 USER MOD Set 2.1: A 20 ASN : amide:sc= -2.2! C(o=-2.2!,f=-6.3!) USER MOD Set 2.2: A 183 THR OG1 : rot 180:sc=-0.00111 USER MOD Set 3.1: A 133 SER OG : rot -7:sc= -2.81! USER MOD Set 3.2: A 134 LYS NZ :NH3+ -114:sc= -5.54! (180deg=-8.44!) USER MOD Set 4.1: A 107 MET CE A:methyl -172:sc= -0.694 (180deg=-0.946) USER MOD Set 4.2: A 107 MET CE B:methyl 139:sc= -0.683 (180deg=0) USER MOD Set 4.3: A 128 SER OG A: rot -73:sc= 0.506 USER MOD Set 4.4: A 128 SER OG B: rot -130:sc= -0.754 USER MOD Set 5.1: A 39 LYS NZ :NH3+ -143:sc= 2.06 (180deg=-0.308) USER MOD Set 5.2: A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=-0.25) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 84:sc= 0.556 USER MOD Single : A 35 THR OG1 : rot -54:sc= 1.29 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -24:sc= 0.0461 USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.243 USER MOD Single : A 41 SER OG : rot 180:sc= -0.116 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 74:sc= 1.47 USER MOD Single : A 57 TYR OH : rot -172:sc= 0.739 USER MOD Single : A 60 THR OG1 : rot 100:sc= -0.886 USER MOD Single : A 61 ASN : amide:sc= -2.4! C(o=-2.4!,f=-13!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE A:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE B:methyl -177:sc= -1.28 (180deg=-1.28) USER MOD Single : A 79 GLN : amide:sc= 1.59 K(o=1.6,f=-6.1!) USER MOD Single : A 81 HIS : no HE2:sc= 1.25 K(o=1.3,f=-4.6!) USER MOD Single : A 82 ASN : amide:sc= 1.16 K(o=1.2,f=-11!) USER MOD Single : A 83 HIS : no HE2:sc= -0.0121 X(o=-0.012,f=-0.089) USER MOD Single : A 86 GLN : amide:sc= 0.501 K(o=0.5,f=-0.95) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.331 USER MOD Single : A 101 HIS : +bothHN:sc= 0.559! C(o=0.56!,f=-6!) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.0258 F(o=-1.1,f=-0.026) USER MOD Single : A 106 LYS NZ :NH3+ -143:sc= -0.559 (180deg=-1.83!) USER MOD Single : A 111 SER OG : rot 130:sc= -0.477 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 HIS : no HE2:sc= -3.92! C(o=-3.9!,f=-11!) USER MOD Single : A 139 MET CE :methyl -133:sc= -0.545 (180deg=-1.28) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 ASN :FLIP amide:sc= -0.571 F(o=-3.1,f=-0.57) USER MOD Single : A 173 LYS NZ :NH3+ 154:sc= 0.236 (180deg=-0.289) USER MOD Single : A 174 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.33) USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : A 180 SER OG : 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 301 AON O17 : rot -163:sc= 0.882 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 13 45.615 24.301 31.960 1.00 60.52 N ATOM 2 CA PRO A 13 44.154 24.136 31.733 1.00 59.70 C ATOM 3 C PRO A 13 43.347 24.977 32.728 1.00 58.34 C ATOM 4 O PRO A 13 43.578 24.917 33.935 1.00 58.35 O ATOM 5 CB PRO A 13 43.844 22.655 31.902 1.00 60.92 C ATOM 6 CG PRO A 13 45.211 22.017 31.595 1.00 60.88 C ATOM 7 CD PRO A 13 46.236 22.987 32.206 1.00 60.88 C ATOM 0 HA PRO A 13 43.909 24.440 30.845 1.00 59.70 H new ATOM 0 HB2 PRO A 13 43.537 22.446 32.798 1.00 60.92 H new ATOM 0 HB3 PRO A 13 43.155 22.354 31.289 1.00 60.92 H new ATOM 0 HG2 PRO A 13 45.284 21.133 31.987 1.00 60.88 H new ATOM 0 HG3 PRO A 13 45.347 21.916 30.640 1.00 60.88 H new ATOM 0 HD2 PRO A 13 46.370 22.822 33.152 1.00 60.88 H new ATOM 0 HD3 PRO A 13 47.104 22.912 31.779 1.00 60.88 H new ATOM 8 N PRO A 14 42.398 25.786 32.231 1.00 56.84 N ATOM 9 CA PRO A 14 41.596 26.612 33.140 1.00 55.49 C ATOM 10 C PRO A 14 40.652 25.764 34.000 1.00 53.69 C ATOM 11 O PRO A 14 39.831 25.009 33.475 1.00 54.20 O ATOM 12 CB PRO A 14 40.849 27.547 32.184 1.00 55.73 C ATOM 13 CG PRO A 14 40.658 26.689 30.962 1.00 56.31 C ATOM 14 CD PRO A 14 42.010 26.008 30.826 1.00 56.80 C ATOM 0 HA PRO A 14 42.128 27.095 33.792 1.00 55.49 H new ATOM 0 HB2 PRO A 14 40.002 27.839 32.555 1.00 55.73 H new ATOM 0 HB3 PRO A 14 41.363 28.346 31.987 1.00 55.73 H new ATOM 0 HG2 PRO A 14 39.940 26.047 31.080 1.00 56.31 H new ATOM 0 HG3 PRO A 14 40.440 27.218 30.179 1.00 56.31 H new ATOM 0 HD2 PRO A 14 41.947 25.175 30.333 1.00 56.80 H new ATOM 0 HD3 PRO A 14 42.650 26.567 30.358 1.00 56.80 H new ATOM 15 N ALA A 15 40.777 25.894 35.317 1.00 50.91 N ATOM 16 CA ALA A 15 39.952 25.140 36.256 1.00 48.29 C ATOM 17 C ALA A 15 39.029 26.067 37.038 1.00 47.15 C ATOM 18 O ALA A 15 39.443 27.157 37.448 1.00 47.75 O ATOM 19 CB ALA A 15 40.844 24.372 37.218 1.00 47.01 C ATOM 0 H ALA A 15 41.343 26.422 35.692 1.00 50.91 H new ATOM 0 HA ALA A 15 39.404 24.518 35.752 1.00 48.29 H new ATOM 0 HB1 ALA A 15 40.294 23.872 37.841 1.00 47.01 H new ATOM 0 HB2 ALA A 15 41.406 23.759 36.719 1.00 47.01 H new ATOM 0 HB3 ALA A 15 41.403 24.995 37.709 1.00 47.01 H new ATOM 20 N VAL A 16 37.787 25.634 37.256 1.00 43.32 N ATOM 21 CA VAL A 16 36.825 26.434 37.997 1.00 42.61 C ATOM 22 C VAL A 16 36.449 25.824 39.350 1.00 43.16 C ATOM 23 O VAL A 16 36.541 24.605 39.553 1.00 39.17 O ATOM 24 CB VAL A 16 35.522 26.653 37.177 1.00 42.55 C ATOM 25 CG1 VAL A 16 34.861 25.319 36.860 1.00 45.16 C ATOM 26 CG2 VAL A 16 34.567 27.523 37.947 1.00 44.56 C ATOM 0 H VAL A 16 37.485 24.877 36.981 1.00 43.32 H new ATOM 0 HA VAL A 16 37.268 27.282 38.158 1.00 42.61 H new ATOM 0 HB VAL A 16 35.754 27.093 36.344 1.00 42.55 H new ATOM 0 HG11 VAL A 16 34.051 25.472 36.349 1.00 45.16 H new ATOM 0 HG12 VAL A 16 35.471 24.771 36.342 1.00 45.16 H new ATOM 0 HG13 VAL A 16 34.640 24.863 37.687 1.00 45.16 H new ATOM 0 HG21 VAL A 16 33.758 27.654 37.428 1.00 44.56 H new ATOM 0 HG22 VAL A 16 34.345 27.094 38.788 1.00 44.56 H new ATOM 0 HG23 VAL A 16 34.981 28.383 38.122 1.00 44.56 H new ATOM 27 N HIS A 17 36.029 26.690 40.270 1.00 42.83 N ATOM 28 CA HIS A 17 35.607 26.268 41.598 1.00 44.05 C ATOM 29 C HIS A 17 34.219 25.641 41.496 1.00 43.12 C ATOM 30 O HIS A 17 33.304 26.226 40.892 1.00 40.56 O ATOM 31 CB HIS A 17 35.560 27.464 42.548 1.00 45.45 C ATOM 32 CG HIS A 17 36.904 27.889 43.055 1.00 48.63 C ATOM 33 ND1 HIS A 17 37.557 27.231 44.076 1.00 48.13 N ATOM 34 CD2 HIS A 17 37.719 28.907 42.681 1.00 47.94 C ATOM 35 CE1 HIS A 17 38.714 27.825 44.312 1.00 47.96 C ATOM 36 NE2 HIS A 17 38.836 28.844 43.479 1.00 49.68 N ATOM 0 H HIS A 17 35.982 27.539 40.139 1.00 42.83 H new ATOM 0 HA HIS A 17 36.241 25.622 41.947 1.00 44.05 H new ATOM 0 HB2 HIS A 17 35.145 28.212 42.091 1.00 45.45 H new ATOM 0 HB3 HIS A 17 34.994 27.243 43.304 1.00 45.45 H new ATOM 0 HD2 HIS A 17 37.553 29.530 42.011 1.00 47.94 H new ATOM 0 HE1 HIS A 17 39.336 27.570 44.954 1.00 47.96 H new ATOM 0 HE2 HIS A 17 39.507 29.381 43.442 1.00 49.68 H new ATOM 37 N LEU A 18 34.064 24.462 42.099 1.00 41.27 N ATOM 38 CA LEU A 18 32.796 23.747 42.060 1.00 41.52 C ATOM 39 C LEU A 18 31.738 24.293 42.995 1.00 42.80 C ATOM 40 O LEU A 18 30.641 23.763 43.063 1.00 41.67 O ATOM 41 CB LEU A 18 32.998 22.247 42.330 1.00 40.54 C ATOM 42 CG LEU A 18 33.199 21.397 41.068 1.00 41.20 C ATOM 43 CD1 LEU A 18 33.352 19.905 41.424 1.00 38.52 C ATOM 44 CD2 LEU A 18 31.997 21.601 40.149 1.00 36.59 C ATOM 0 H LEU A 18 34.686 24.060 42.537 1.00 41.27 H new ATOM 0 HA LEU A 18 32.463 23.883 41.159 1.00 41.52 H new ATOM 0 HB2 LEU A 18 33.768 22.135 42.909 1.00 40.54 H new ATOM 0 HB3 LEU A 18 32.228 21.910 42.814 1.00 40.54 H new ATOM 0 HG LEU A 18 34.013 21.676 40.620 1.00 41.20 H new ATOM 0 HD11 LEU A 18 33.477 19.390 40.612 1.00 38.52 H new ATOM 0 HD12 LEU A 18 34.121 19.788 42.003 1.00 38.52 H new ATOM 0 HD13 LEU A 18 32.554 19.598 41.881 1.00 38.52 H new ATOM 0 HD21 LEU A 18 32.110 21.069 39.346 1.00 36.59 H new ATOM 0 HD22 LEU A 18 31.188 21.325 40.608 1.00 36.59 H new ATOM 0 HD23 LEU A 18 31.928 22.538 39.909 1.00 36.59 H new ATOM 45 N SER A 19 32.059 25.337 43.740 1.00 46.22 N ATOM 46 CA SER A 19 31.047 25.928 44.612 1.00 51.15 C ATOM 47 C SER A 19 31.415 27.374 44.876 1.00 53.51 C ATOM 48 O SER A 19 32.594 27.725 44.868 1.00 53.48 O ATOM 49 CB SER A 19 30.937 25.171 45.939 1.00 52.00 C ATOM 50 OG SER A 19 31.928 25.585 46.856 1.00 53.66 O ATOM 0 H SER A 19 32.832 25.713 43.760 1.00 46.22 H new ATOM 0 HA SER A 19 30.186 25.873 44.170 1.00 51.15 H new ATOM 0 HB2 SER A 19 30.058 25.316 46.323 1.00 52.00 H new ATOM 0 HB3 SER A 19 31.022 24.218 45.777 1.00 52.00 H new ATOM 0 HG SER A 19 31.843 25.156 47.573 1.00 53.66 H new ATOM 51 N ASN A 20 30.401 28.207 45.090 1.00 57.69 N ATOM 52 CA ASN A 20 30.616 29.620 45.370 1.00 61.72 C ATOM 53 C ASN A 20 30.255 29.889 46.826 1.00 63.71 C ATOM 54 O ASN A 20 29.090 30.119 47.151 1.00 64.04 O ATOM 55 CB ASN A 20 29.742 30.492 44.467 1.00 63.59 C ATOM 56 CG ASN A 20 29.352 29.795 43.184 1.00 65.87 C ATOM 57 OD1 ASN A 20 28.627 28.798 43.210 1.00 67.99 O ATOM 58 ND2 ASN A 20 29.830 30.311 42.051 1.00 65.55 N ATOM 0 H ASN A 20 29.574 27.970 45.077 1.00 57.69 H new ATOM 0 HA ASN A 20 31.546 29.838 45.202 1.00 61.72 H new ATOM 0 HB2 ASN A 20 28.940 30.748 44.949 1.00 63.59 H new ATOM 0 HB3 ASN A 20 30.218 31.310 44.255 1.00 63.59 H new ATOM 0 HD21 ASN A 20 29.635 29.947 41.297 1.00 65.55 H new ATOM 0 HD22 ASN A 20 30.333 31.008 42.075 1.00 65.55 H new ATOM 59 N GLY A 21 31.263 29.830 47.694 1.00 65.82 N ATOM 60 CA GLY A 21 31.070 30.088 49.112 1.00 67.22 C ATOM 61 C GLY A 21 30.100 29.176 49.833 1.00 68.19 C ATOM 62 O GLY A 21 30.464 28.059 50.211 1.00 69.51 O ATOM 0 H GLY A 21 32.073 29.640 47.476 1.00 65.82 H new ATOM 0 HA2 GLY A 21 31.932 30.026 49.553 1.00 67.22 H new ATOM 0 HA3 GLY A 21 30.763 31.002 49.216 1.00 67.22 H new ATOM 63 N PRO A 22 28.857 29.633 50.060 1.00 68.35 N ATOM 64 CA PRO A 22 27.837 28.839 50.750 1.00 68.51 C ATOM 65 C PRO A 22 27.623 27.494 50.075 1.00 68.32 C ATOM 66 O PRO A 22 27.438 26.479 50.745 1.00 69.22 O ATOM 67 CB PRO A 22 26.597 29.724 50.667 1.00 69.06 C ATOM 68 CG PRO A 22 27.180 31.105 50.700 1.00 69.63 C ATOM 69 CD PRO A 22 28.342 30.977 49.743 1.00 68.73 C ATOM 0 HA PRO A 22 28.079 28.616 51.662 1.00 68.51 H new ATOM 0 HB2 PRO A 22 26.093 29.564 49.854 1.00 69.06 H new ATOM 0 HB3 PRO A 22 25.993 29.569 51.410 1.00 69.06 H new ATOM 0 HG2 PRO A 22 26.542 31.776 50.409 1.00 69.63 H new ATOM 0 HG3 PRO A 22 27.469 31.356 51.591 1.00 69.63 H new ATOM 0 HD2 PRO A 22 28.059 31.048 48.818 1.00 68.73 H new ATOM 0 HD3 PRO A 22 29.010 31.665 49.889 1.00 68.73 H new ATOM 70 N GLY A 23 27.656 27.496 48.745 1.00 67.21 N ATOM 71 CA GLY A 23 27.458 26.265 48.003 1.00 66.02 C ATOM 72 C GLY A 23 26.073 25.685 48.222 1.00 65.13 C ATOM 73 O GLY A 23 25.929 24.541 48.655 1.00 64.70 O ATOM 0 H GLY A 23 27.791 28.194 48.261 1.00 67.21 H new ATOM 0 HA2 GLY A 23 27.591 26.434 47.057 1.00 66.02 H new ATOM 0 HA3 GLY A 23 28.126 25.615 48.272 1.00 66.02 H new ATOM 74 N GLN A 24 25.048 26.478 47.928 1.00 63.40 N ATOM 75 CA GLN A 24 23.675 26.030 48.088 1.00 61.78 C ATOM 76 C GLN A 24 23.008 25.895 46.715 1.00 59.43 C ATOM 77 O GLN A 24 21.909 25.351 46.598 1.00 59.19 O ATOM 78 CB GLN A 24 22.901 27.024 48.963 1.00 64.37 C ATOM 79 CG GLN A 24 23.557 27.297 50.322 1.00 67.53 C ATOM 80 CD GLN A 24 22.696 28.157 51.238 1.00 69.26 C ATOM 81 OE1 GLN A 24 21.630 27.729 51.688 1.00 70.77 O ATOM 82 NE2 GLN A 24 23.153 29.377 51.516 1.00 69.05 N ATOM 0 H GLN A 24 25.129 27.282 47.633 1.00 63.40 H new ATOM 0 HA GLN A 24 23.670 25.163 48.523 1.00 61.78 H new ATOM 0 HB2 GLN A 24 22.811 27.862 48.483 1.00 64.37 H new ATOM 0 HB3 GLN A 24 22.005 26.683 49.109 1.00 64.37 H new ATOM 0 HG2 GLN A 24 23.743 26.452 50.761 1.00 67.53 H new ATOM 0 HG3 GLN A 24 24.410 27.737 50.181 1.00 67.53 H new ATOM 0 HE21 GLN A 24 23.901 29.642 51.184 1.00 69.05 H new ATOM 0 HE22 GLN A 24 22.700 29.900 52.027 1.00 69.05 H new ATOM 83 N GLU A 25 23.691 26.385 45.682 1.00 55.79 N ATOM 84 CA GLU A 25 23.190 26.342 44.309 1.00 52.61 C ATOM 85 C GLU A 25 24.318 25.998 43.336 1.00 48.59 C ATOM 86 O GLU A 25 25.492 26.226 43.630 1.00 47.12 O ATOM 87 CB GLU A 25 22.580 27.700 43.937 1.00 55.08 C ATOM 88 CG GLU A 25 23.481 28.871 44.278 1.00 58.71 C ATOM 89 CD GLU A 25 22.866 30.228 43.971 1.00 61.39 C ATOM 90 OE1 GLU A 25 23.543 31.248 44.230 1.00 63.18 O ATOM 91 OE2 GLU A 25 21.719 30.279 43.472 1.00 62.77 O ATOM 0 H GLU A 25 24.464 26.754 45.759 1.00 55.79 H new ATOM 0 HA GLU A 25 22.509 25.654 44.249 1.00 52.61 H new ATOM 0 HB2 GLU A 25 22.388 27.713 42.986 1.00 55.08 H new ATOM 0 HB3 GLU A 25 21.733 27.805 44.398 1.00 55.08 H new ATOM 0 HG2 GLU A 25 23.705 28.832 45.221 1.00 58.71 H new ATOM 0 HG3 GLU A 25 24.312 28.783 43.786 1.00 58.71 H new ATOM 92 N PRO A 26 23.970 25.447 42.159 1.00 45.05 N ATOM 93 CA PRO A 26 24.935 25.061 41.125 1.00 43.05 C ATOM 94 C PRO A 26 25.718 26.284 40.689 1.00 41.61 C ATOM 95 O PRO A 26 25.252 27.399 40.869 1.00 42.85 O ATOM 96 CB PRO A 26 24.050 24.564 39.981 1.00 41.38 C ATOM 97 CG PRO A 26 22.760 24.255 40.626 1.00 43.34 C ATOM 98 CD PRO A 26 22.596 25.306 41.654 1.00 44.09 C ATOM 0 HA PRO A 26 25.578 24.397 41.420 1.00 43.05 H new ATOM 0 HB2 PRO A 26 23.949 25.240 39.293 1.00 41.38 H new ATOM 0 HB3 PRO A 26 24.430 23.780 39.555 1.00 41.38 H new ATOM 0 HG2 PRO A 26 22.032 24.272 39.985 1.00 43.34 H new ATOM 0 HG3 PRO A 26 22.767 23.370 41.024 1.00 43.34 H new ATOM 0 HD2 PRO A 26 22.260 26.134 41.278 1.00 44.09 H new ATOM 0 HD3 PRO A 26 21.977 25.040 42.352 1.00 44.09 H new ATOM 99 N ILE A 27 26.890 26.075 40.107 1.00 38.84 N ATOM 100 CA ILE A 27 27.688 27.191 39.622 1.00 38.04 C ATOM 101 C ILE A 27 27.317 27.432 38.159 1.00 37.48 C ATOM 102 O ILE A 27 27.637 28.465 37.586 1.00 37.34 O ATOM 103 CB ILE A 27 29.202 26.892 39.696 1.00 36.99 C ATOM 104 CG1 ILE A 27 29.512 25.638 38.872 1.00 35.81 C ATOM 105 CG2 ILE A 27 29.633 26.763 41.150 1.00 35.50 C ATOM 106 CD1 ILE A 27 30.966 25.378 38.634 1.00 35.64 C ATOM 0 H ILE A 27 27.240 25.299 39.983 1.00 38.84 H new ATOM 0 HA ILE A 27 27.506 27.965 40.177 1.00 38.04 H new ATOM 0 HB ILE A 27 29.712 27.624 39.315 1.00 36.99 H new ATOM 0 HG12 ILE A 27 29.130 24.869 39.323 1.00 35.81 H new ATOM 0 HG13 ILE A 27 29.067 25.714 38.014 1.00 35.81 H new ATOM 0 HG21 ILE A 27 30.584 26.575 41.190 1.00 35.50 H new ATOM 0 HG22 ILE A 27 29.447 27.592 41.618 1.00 35.50 H new ATOM 0 HG23 ILE A 27 29.143 26.039 41.570 1.00 35.50 H new ATOM 0 HD11 ILE A 27 31.068 24.570 38.108 1.00 35.64 H new ATOM 0 HD12 ILE A 27 31.355 26.127 38.155 1.00 35.64 H new ATOM 0 HD13 ILE A 27 31.419 25.269 39.485 1.00 35.64 H new ATOM 107 N ALA A 28 26.631 26.464 37.561 1.00 35.90 N ATOM 108 CA ALA A 28 26.227 26.573 36.169 1.00 35.05 C ATOM 109 C ALA A 28 25.166 25.520 35.823 1.00 34.73 C ATOM 110 O ALA A 28 25.112 24.440 36.434 1.00 32.36 O ATOM 111 CB ALA A 28 27.450 26.411 35.262 1.00 34.68 C ATOM 0 H ALA A 28 26.390 25.734 37.947 1.00 35.90 H new ATOM 0 HA ALA A 28 25.837 27.450 36.028 1.00 35.05 H new ATOM 0 HB1 ALA A 28 27.177 26.484 34.334 1.00 34.68 H new ATOM 0 HB2 ALA A 28 28.097 27.105 35.464 1.00 34.68 H new ATOM 0 HB3 ALA A 28 27.852 25.541 35.413 1.00 34.68 H new ATOM 112 N VAL A 29 24.308 25.861 34.866 1.00 32.53 N ATOM 113 CA VAL A 29 23.256 24.958 34.410 1.00 31.98 C ATOM 114 C VAL A 29 23.271 24.989 32.898 1.00 32.77 C ATOM 115 O VAL A 29 23.314 26.066 32.295 1.00 33.22 O ATOM 116 CB VAL A 29 21.855 25.388 34.891 1.00 33.29 C ATOM 117 CG1 VAL A 29 20.811 24.333 34.459 1.00 32.46 C ATOM 118 CG2 VAL A 29 21.831 25.530 36.412 1.00 33.24 C ATOM 0 H VAL A 29 24.319 26.621 34.463 1.00 32.53 H new ATOM 0 HA VAL A 29 23.427 24.074 34.771 1.00 31.98 H new ATOM 0 HB VAL A 29 21.640 26.246 34.492 1.00 33.29 H new ATOM 0 HG11 VAL A 29 19.931 24.605 34.762 1.00 32.46 H new ATOM 0 HG12 VAL A 29 20.810 24.256 33.492 1.00 32.46 H new ATOM 0 HG13 VAL A 29 21.036 23.475 34.851 1.00 32.46 H new ATOM 0 HG21 VAL A 29 20.944 25.800 36.698 1.00 33.24 H new ATOM 0 HG22 VAL A 29 22.057 24.679 36.820 1.00 33.24 H new ATOM 0 HG23 VAL A 29 22.477 26.200 36.685 1.00 33.24 H new ATOM 119 N MET A 30 23.286 23.814 32.283 1.00 32.36 N ATOM 120 CA MET A 30 23.282 23.717 30.832 1.00 33.27 C ATOM 121 C MET A 30 22.035 22.952 30.437 1.00 34.74 C ATOM 122 O MET A 30 21.659 21.966 31.087 1.00 32.70 O ATOM 123 CB MET A 30 24.526 22.987 30.339 1.00 34.25 C ATOM 124 CG MET A 30 25.815 23.696 30.692 1.00 36.86 C ATOM 125 SD MET A 30 27.231 22.591 30.671 1.00 42.07 S ATOM 126 CE MET A 30 27.132 21.897 32.318 1.00 39.88 C ATOM 0 H MET A 30 23.299 23.057 32.691 1.00 32.36 H new ATOM 0 HA MET A 30 23.286 24.601 30.433 1.00 33.27 H new ATOM 0 HB2 MET A 30 24.541 22.094 30.718 1.00 34.25 H new ATOM 0 HB3 MET A 30 24.473 22.885 29.376 1.00 34.25 H new ATOM 0 HG2 MET A 30 25.964 24.421 30.066 1.00 36.86 H new ATOM 0 HG3 MET A 30 25.732 24.094 31.572 1.00 36.86 H new ATOM 0 HE1 MET A 30 27.857 21.266 32.447 1.00 39.88 H new ATOM 0 HE2 MET A 30 27.202 22.608 32.974 1.00 39.88 H new ATOM 0 HE3 MET A 30 26.283 21.441 32.427 1.00 39.88 H new ATOM 127 N THR A 31 21.390 23.404 29.369 1.00 33.36 N ATOM 128 CA THR A 31 20.186 22.759 28.908 1.00 35.46 C ATOM 129 C THR A 31 20.445 22.140 27.545 1.00 36.58 C ATOM 130 O THR A 31 21.134 22.734 26.714 1.00 39.13 O ATOM 131 CB THR A 31 19.061 23.786 28.889 1.00 36.92 C ATOM 132 OG1 THR A 31 18.910 24.309 30.218 1.00 40.05 O ATOM 133 CG2 THR A 31 17.749 23.153 28.473 1.00 39.06 C ATOM 0 H THR A 31 21.638 24.082 28.902 1.00 33.36 H new ATOM 0 HA THR A 31 19.917 22.040 29.502 1.00 35.46 H new ATOM 0 HB THR A 31 19.284 24.484 28.253 1.00 36.92 H new ATOM 0 HG1 THR A 31 19.466 24.927 30.341 1.00 40.05 H new ATOM 0 HG21 THR A 31 17.051 23.827 28.469 1.00 39.06 H new ATOM 0 HG22 THR A 31 17.839 22.776 27.584 1.00 39.06 H new ATOM 0 HG23 THR A 31 17.516 22.450 29.099 1.00 39.06 H new ATOM 134 N PHE A 32 19.931 20.933 27.320 1.00 35.46 N ATOM 135 CA PHE A 32 20.149 20.261 26.048 1.00 36.26 C ATOM 136 C PHE A 32 18.865 19.772 25.398 1.00 38.37 C ATOM 137 O PHE A 32 17.855 19.533 26.074 1.00 36.59 O ATOM 138 CB PHE A 32 21.077 19.054 26.206 1.00 35.84 C ATOM 139 CG PHE A 32 22.436 19.379 26.758 1.00 32.43 C ATOM 140 CD1 PHE A 32 22.622 19.550 28.125 1.00 32.65 C ATOM 141 CD2 PHE A 32 23.538 19.454 25.918 1.00 32.79 C ATOM 142 CE1 PHE A 32 23.891 19.783 28.653 1.00 30.51 C ATOM 143 CE2 PHE A 32 24.815 19.690 26.426 1.00 32.97 C ATOM 144 CZ PHE A 32 24.993 19.856 27.805 1.00 33.99 C ATOM 0 H PHE A 32 19.458 20.492 27.887 1.00 35.46 H new ATOM 0 HA PHE A 32 20.552 20.934 25.477 1.00 36.26 H new ATOM 0 HB2 PHE A 32 20.650 18.407 26.789 1.00 35.84 H new ATOM 0 HB3 PHE A 32 21.185 18.629 25.341 1.00 35.84 H new ATOM 0 HD1 PHE A 32 21.889 19.508 28.696 1.00 32.65 H new ATOM 0 HD2 PHE A 32 23.423 19.345 25.002 1.00 32.79 H new ATOM 0 HE1 PHE A 32 24.001 19.890 29.570 1.00 30.51 H new ATOM 0 HE2 PHE A 32 25.545 19.737 25.852 1.00 32.97 H new ATOM 0 HZ PHE A 32 25.841 20.014 28.152 1.00 33.99 H new ATOM 145 N ASP A 33 18.923 19.652 24.071 1.00 40.19 N ATOM 146 CA ASP A 33 17.811 19.154 23.258 1.00 41.49 C ATOM 147 C ASP A 33 18.096 17.665 23.077 1.00 41.15 C ATOM 148 O ASP A 33 19.015 17.284 22.350 1.00 38.18 O ATOM 149 CB ASP A 33 17.811 19.838 21.891 1.00 44.57 C ATOM 150 CG ASP A 33 16.671 19.371 21.008 1.00 47.86 C ATOM 151 OD1 ASP A 33 16.305 18.176 21.088 1.00 48.19 O ATOM 152 OD2 ASP A 33 16.146 20.199 20.222 1.00 49.95 O ATOM 0 H ASP A 33 19.619 19.860 23.611 1.00 40.19 H new ATOM 0 HA ASP A 33 16.952 19.325 23.674 1.00 41.49 H new ATOM 0 HB2 ASP A 33 17.749 20.798 22.013 1.00 44.57 H new ATOM 0 HB3 ASP A 33 18.654 19.663 21.445 1.00 44.57 H new ATOM 153 N LEU A 34 17.319 16.817 23.735 1.00 43.83 N ATOM 154 CA LEU A 34 17.571 15.383 23.638 1.00 47.04 C ATOM 155 C LEU A 34 17.473 14.790 22.241 1.00 50.05 C ATOM 156 O LEU A 34 18.282 13.934 21.866 1.00 49.60 O ATOM 157 CB LEU A 34 16.667 14.632 24.608 1.00 46.09 C ATOM 158 CG LEU A 34 17.419 13.988 25.782 1.00 46.00 C ATOM 159 CD1 LEU A 34 18.757 14.686 26.045 1.00 43.62 C ATOM 160 CD2 LEU A 34 16.525 14.029 27.002 1.00 45.91 C ATOM 0 H LEU A 34 16.655 17.042 24.233 1.00 43.83 H new ATOM 0 HA LEU A 34 18.504 15.271 23.880 1.00 47.04 H new ATOM 0 HB2 LEU A 34 16.002 15.245 24.958 1.00 46.09 H new ATOM 0 HB3 LEU A 34 16.189 13.941 24.123 1.00 46.09 H new ATOM 0 HG LEU A 34 17.630 13.067 25.564 1.00 46.00 H new ATOM 0 HD11 LEU A 34 19.205 14.256 26.790 1.00 43.62 H new ATOM 0 HD12 LEU A 34 19.315 14.625 25.254 1.00 43.62 H new ATOM 0 HD13 LEU A 34 18.599 15.619 26.258 1.00 43.62 H new ATOM 0 HD21 LEU A 34 16.985 13.625 27.754 1.00 45.91 H new ATOM 0 HD22 LEU A 34 16.307 14.950 27.213 1.00 45.91 H new ATOM 0 HD23 LEU A 34 15.708 13.537 26.822 1.00 45.91 H new ATOM 161 N THR A 35 16.502 15.245 21.458 1.00 51.86 N ATOM 162 CA THR A 35 16.358 14.726 20.103 1.00 54.67 C ATOM 163 C THR A 35 17.616 15.002 19.271 1.00 56.09 C ATOM 164 O THR A 35 17.903 14.289 18.313 1.00 57.56 O ATOM 165 CB THR A 35 15.156 15.361 19.386 1.00 53.85 C ATOM 166 OG1 THR A 35 15.471 16.714 19.040 1.00 54.80 O ATOM 167 CG2 THR A 35 13.935 15.358 20.300 1.00 54.27 C ATOM 0 H THR A 35 15.926 15.842 21.685 1.00 51.86 H new ATOM 0 HA THR A 35 16.220 13.769 20.184 1.00 54.67 H new ATOM 0 HB THR A 35 14.961 14.847 18.587 1.00 53.85 H new ATOM 0 HG1 THR A 35 15.727 17.126 19.726 1.00 54.80 H new ATOM 0 HG21 THR A 35 13.183 15.761 19.838 1.00 54.27 H new ATOM 0 HG22 THR A 35 13.714 14.445 20.542 1.00 54.27 H new ATOM 0 HG23 THR A 35 14.130 15.866 21.103 1.00 54.27 H new ATOM 168 N LYS A 36 18.375 16.026 19.643 1.00 57.07 N ATOM 169 CA LYS A 36 19.579 16.377 18.895 1.00 59.17 C ATOM 170 C LYS A 36 20.864 15.714 19.400 1.00 59.64 C ATOM 171 O LYS A 36 21.891 15.740 18.725 1.00 58.67 O ATOM 172 CB LYS A 36 19.738 17.902 18.880 1.00 60.53 C ATOM 173 CG LYS A 36 18.545 18.615 18.244 1.00 62.55 C ATOM 174 CD LYS A 36 18.632 20.132 18.355 1.00 63.95 C ATOM 175 CE LYS A 36 17.491 20.797 17.581 1.00 65.34 C ATOM 176 NZ LYS A 36 17.485 22.287 17.721 1.00 65.72 N ATOM 0 H LYS A 36 18.213 16.529 20.322 1.00 57.07 H new ATOM 0 HA LYS A 36 19.452 16.031 17.998 1.00 59.17 H new ATOM 0 HB2 LYS A 36 19.853 18.220 19.789 1.00 60.53 H new ATOM 0 HB3 LYS A 36 20.545 18.134 18.394 1.00 60.53 H new ATOM 0 HG2 LYS A 36 18.487 18.367 17.308 1.00 62.55 H new ATOM 0 HG3 LYS A 36 17.728 18.311 18.669 1.00 62.55 H new ATOM 0 HD2 LYS A 36 18.593 20.396 19.288 1.00 63.95 H new ATOM 0 HD3 LYS A 36 19.485 20.438 18.009 1.00 63.95 H new ATOM 0 HE2 LYS A 36 17.565 20.565 16.642 1.00 65.34 H new ATOM 0 HE3 LYS A 36 16.644 20.444 17.895 1.00 65.34 H new ATOM 0 HZ1 LYS A 36 16.807 22.626 17.255 1.00 65.72 H new ATOM 0 HZ2 LYS A 36 17.394 22.504 18.579 1.00 65.72 H new ATOM 0 HZ3 LYS A 36 18.251 22.618 17.412 1.00 65.72 H new ATOM 177 N ILE A 37 20.796 15.107 20.580 1.00 60.20 N ATOM 178 CA ILE A 37 21.947 14.439 21.183 1.00 60.01 C ATOM 179 C ILE A 37 22.484 13.298 20.317 1.00 59.99 C ATOM 180 O ILE A 37 21.719 12.466 19.840 1.00 60.32 O ATOM 181 CB ILE A 37 21.569 13.842 22.557 1.00 60.37 C ATOM 182 CG1 ILE A 37 20.907 14.910 23.434 1.00 60.43 C ATOM 183 CG2 ILE A 37 22.801 13.269 23.234 1.00 60.85 C ATOM 184 CD1 ILE A 37 21.814 16.046 23.829 1.00 59.56 C ATOM 0 H ILE A 37 20.080 15.070 21.055 1.00 60.20 H new ATOM 0 HA ILE A 37 22.633 15.119 21.273 1.00 60.01 H new ATOM 0 HB ILE A 37 20.932 13.122 22.425 1.00 60.37 H new ATOM 0 HG12 ILE A 37 20.142 15.272 22.960 1.00 60.43 H new ATOM 0 HG13 ILE A 37 20.568 14.487 24.239 1.00 60.43 H new ATOM 0 HG21 ILE A 37 22.554 12.897 24.095 1.00 60.85 H new ATOM 0 HG22 ILE A 37 23.181 12.571 22.678 1.00 60.85 H new ATOM 0 HG23 ILE A 37 23.457 13.972 23.362 1.00 60.85 H new ATOM 0 HD11 ILE A 37 21.323 16.676 24.380 1.00 59.56 H new ATOM 0 HD12 ILE A 37 22.569 15.699 24.330 1.00 59.56 H new ATOM 0 HD13 ILE A 37 22.135 16.496 23.032 1.00 59.56 H new ATOM 185 N THR A 38 23.799 13.259 20.118 1.00 59.39 N ATOM 186 CA THR A 38 24.424 12.190 19.337 1.00 59.11 C ATOM 187 C THR A 38 25.493 11.531 20.206 1.00 58.69 C ATOM 188 O THR A 38 25.923 10.407 19.947 1.00 59.43 O ATOM 189 CB THR A 38 25.100 12.722 18.067 1.00 59.63 C ATOM 190 OG1 THR A 38 26.144 13.637 18.430 1.00 60.10 O ATOM 191 CG2 THR A 38 24.081 13.425 17.176 1.00 59.68 C ATOM 0 H THR A 38 24.350 13.843 20.427 1.00 59.39 H new ATOM 0 HA THR A 38 23.732 11.564 19.071 1.00 59.11 H new ATOM 0 HB THR A 38 25.478 11.977 17.574 1.00 59.63 H new ATOM 0 HG1 THR A 38 25.982 13.961 19.188 1.00 60.10 H new ATOM 0 HG21 THR A 38 24.522 13.756 16.378 1.00 59.68 H new ATOM 0 HG22 THR A 38 23.385 12.799 16.924 1.00 59.68 H new ATOM 0 HG23 THR A 38 23.687 14.168 17.659 1.00 59.68 H new ATOM 192 N LYS A 39 25.911 12.260 21.234 1.00 56.85 N ATOM 193 CA LYS A 39 26.924 11.818 22.188 1.00 55.24 C ATOM 194 C LYS A 39 26.258 11.883 23.556 1.00 52.97 C ATOM 195 O LYS A 39 25.680 12.908 23.905 1.00 53.02 O ATOM 196 CB LYS A 39 28.124 12.776 22.139 1.00 56.40 C ATOM 197 CG LYS A 39 29.108 12.672 23.296 1.00 57.78 C ATOM 198 CD LYS A 39 30.316 13.585 23.065 1.00 59.25 C ATOM 199 CE LYS A 39 31.266 13.627 24.266 1.00 59.91 C ATOM 200 NZ LYS A 39 30.764 14.468 25.410 1.00 58.89 N ATOM 0 H LYS A 39 25.606 13.046 21.401 1.00 56.85 H new ATOM 0 HA LYS A 39 27.247 10.925 21.992 1.00 55.24 H new ATOM 0 HB2 LYS A 39 28.607 12.620 21.312 1.00 56.40 H new ATOM 0 HB3 LYS A 39 27.788 13.685 22.104 1.00 56.40 H new ATOM 0 HG2 LYS A 39 28.667 12.916 24.125 1.00 57.78 H new ATOM 0 HG3 LYS A 39 29.405 11.754 23.392 1.00 57.78 H new ATOM 0 HD2 LYS A 39 30.803 13.279 22.284 1.00 59.25 H new ATOM 0 HD3 LYS A 39 30.005 14.483 22.872 1.00 59.25 H new ATOM 0 HE2 LYS A 39 31.414 12.722 24.582 1.00 59.91 H new ATOM 0 HE3 LYS A 39 32.125 13.971 23.976 1.00 59.91 H new ATOM 0 HZ1 LYS A 39 31.448 14.893 25.789 1.00 58.89 H new ATOM 0 HZ2 LYS A 39 30.177 15.064 25.106 1.00 58.89 H new ATOM 0 HZ3 LYS A 39 30.370 13.945 26.013 1.00 58.89 H new ATOM 201 N THR A 40 26.327 10.803 24.329 1.00 50.91 N ATOM 202 CA THR A 40 25.697 10.803 25.644 1.00 48.91 C ATOM 203 C THR A 40 26.675 10.864 26.806 1.00 46.63 C ATOM 204 O THR A 40 26.268 10.963 27.959 1.00 47.31 O ATOM 205 CB THR A 40 24.806 9.553 25.850 1.00 49.74 C ATOM 206 OG1 THR A 40 25.603 8.369 25.730 1.00 53.28 O ATOM 207 CG2 THR A 40 23.685 9.519 24.827 1.00 48.65 C ATOM 0 H THR A 40 26.727 10.072 24.115 1.00 50.91 H new ATOM 0 HA THR A 40 25.167 11.615 25.649 1.00 48.91 H new ATOM 0 HB THR A 40 24.415 9.595 26.737 1.00 49.74 H new ATOM 0 HG1 THR A 40 25.232 7.834 25.199 1.00 53.28 H new ATOM 0 HG21 THR A 40 23.139 8.731 24.971 1.00 48.65 H new ATOM 0 HG22 THR A 40 23.137 10.314 24.921 1.00 48.65 H new ATOM 0 HG23 THR A 40 24.062 9.491 23.934 1.00 48.65 H new ATOM 208 N SER A 41 27.962 10.824 26.516 1.00 43.03 N ATOM 209 CA SER A 41 28.940 10.839 27.583 1.00 40.24 C ATOM 210 C SER A 41 29.351 12.213 28.106 1.00 37.89 C ATOM 211 O SER A 41 29.197 13.242 27.441 1.00 37.05 O ATOM 212 CB SER A 41 30.194 10.100 27.133 1.00 42.54 C ATOM 213 OG SER A 41 30.946 10.911 26.252 1.00 46.27 O ATOM 0 H SER A 41 28.286 10.788 25.720 1.00 43.03 H new ATOM 0 HA SER A 41 28.492 10.404 28.325 1.00 40.24 H new ATOM 0 HB2 SER A 41 30.732 9.862 27.904 1.00 42.54 H new ATOM 0 HB3 SER A 41 29.949 9.272 26.692 1.00 42.54 H new ATOM 0 HG SER A 41 31.636 10.497 26.010 1.00 46.27 H new ATOM 214 N SER A 42 29.874 12.212 29.323 1.00 33.01 N ATOM 215 CA SER A 42 30.383 13.419 29.943 1.00 31.00 C ATOM 216 C SER A 42 31.677 13.036 30.633 1.00 31.19 C ATOM 217 O SER A 42 31.818 11.919 31.137 1.00 29.83 O ATOM 218 CB SER A 42 29.398 14.003 30.951 1.00 29.04 C ATOM 219 OG SER A 42 28.225 14.459 30.309 1.00 27.48 O ATOM 0 H SER A 42 29.943 11.508 29.812 1.00 33.01 H new ATOM 0 HA SER A 42 30.523 14.105 29.271 1.00 31.00 H new ATOM 0 HB2 SER A 42 29.169 13.330 31.611 1.00 29.04 H new ATOM 0 HB3 SER A 42 29.816 14.737 31.428 1.00 29.04 H new ATOM 0 HG SER A 42 27.655 13.842 30.295 1.00 27.48 H new ATOM 220 N SER A 43 32.634 13.954 30.640 1.00 30.52 N ATOM 221 CA SER A 43 33.911 13.685 31.276 1.00 31.93 C ATOM 222 C SER A 43 34.549 14.958 31.779 1.00 31.82 C ATOM 223 O SER A 43 34.256 16.060 31.290 1.00 32.61 O ATOM 224 CB SER A 43 34.856 12.959 30.321 1.00 31.96 C ATOM 225 OG SER A 43 34.931 13.625 29.077 1.00 39.78 O ATOM 0 H SER A 43 32.564 14.734 30.284 1.00 30.52 H new ATOM 0 HA SER A 43 33.742 13.108 32.038 1.00 31.93 H new ATOM 0 HB2 SER A 43 35.740 12.904 30.716 1.00 31.96 H new ATOM 0 HB3 SER A 43 34.548 12.049 30.186 1.00 31.96 H new ATOM 0 HG SER A 43 35.456 13.211 28.568 1.00 39.78 H new ATOM 226 N PHE A 44 35.428 14.806 32.758 1.00 29.96 N ATOM 227 CA PHE A 44 36.068 15.957 33.360 1.00 30.28 C ATOM 228 C PHE A 44 37.122 15.512 34.349 1.00 31.02 C ATOM 229 O PHE A 44 37.286 14.323 34.604 1.00 29.70 O ATOM 230 CB PHE A 44 35.005 16.769 34.090 1.00 30.04 C ATOM 231 CG PHE A 44 34.215 15.961 35.112 1.00 28.65 C ATOM 232 CD1 PHE A 44 34.720 15.761 36.403 1.00 30.23 C ATOM 233 CD2 PHE A 44 32.998 15.373 34.766 1.00 28.23 C ATOM 234 CE1 PHE A 44 34.022 14.973 37.345 1.00 31.34 C ATOM 235 CE2 PHE A 44 32.286 14.581 35.699 1.00 32.27 C ATOM 236 CZ PHE A 44 32.802 14.381 36.986 1.00 28.37 C ATOM 0 H PHE A 44 35.665 14.047 33.086 1.00 29.96 H new ATOM 0 HA PHE A 44 36.493 16.491 32.671 1.00 30.28 H new ATOM 0 HB2 PHE A 44 35.431 17.516 34.539 1.00 30.04 H new ATOM 0 HB3 PHE A 44 34.390 17.142 33.439 1.00 30.04 H new ATOM 0 HD1 PHE A 44 35.528 16.153 36.644 1.00 30.23 H new ATOM 0 HD2 PHE A 44 32.651 15.503 33.913 1.00 28.23 H new ATOM 0 HE1 PHE A 44 34.369 14.847 38.198 1.00 31.34 H new ATOM 0 HE2 PHE A 44 31.476 14.194 35.457 1.00 32.27 H new ATOM 0 HZ PHE A 44 32.338 13.858 37.599 1.00 28.37 H new ATOM 237 N GLU A 45 37.864 16.471 34.883 1.00 31.39 N ATOM 238 CA GLU A 45 38.854 16.156 35.894 1.00 32.73 C ATOM 239 C GLU A 45 38.414 16.963 37.099 1.00 30.72 C ATOM 240 O GLU A 45 37.883 18.072 36.968 1.00 31.03 O ATOM 241 CB GLU A 45 40.270 16.531 35.440 1.00 34.20 C ATOM 242 CG GLU A 45 40.686 15.778 34.190 1.00 38.38 C ATOM 243 CD GLU A 45 42.133 16.012 33.783 1.00 41.80 C ATOM 244 OE1 GLU A 45 42.703 17.064 34.140 1.00 44.14 O ATOM 245 OE2 GLU A 45 42.696 15.143 33.080 1.00 43.11 O ATOM 0 H GLU A 45 37.809 17.304 34.675 1.00 31.39 H new ATOM 0 HA GLU A 45 38.902 15.206 36.084 1.00 32.73 H new ATOM 0 HB2 GLU A 45 40.312 17.485 35.271 1.00 34.20 H new ATOM 0 HB3 GLU A 45 40.898 16.342 36.154 1.00 34.20 H new ATOM 0 HG2 GLU A 45 40.549 14.829 34.334 1.00 38.38 H new ATOM 0 HG3 GLU A 45 40.107 16.040 33.457 1.00 38.38 H new ATOM 246 N VAL A 46 38.581 16.373 38.267 1.00 29.77 N ATOM 247 CA VAL A 46 38.189 17.014 39.509 1.00 29.15 C ATOM 248 C VAL A 46 39.317 16.818 40.529 1.00 29.90 C ATOM 249 O VAL A 46 40.029 15.809 40.502 1.00 29.38 O ATOM 250 CB VAL A 46 36.858 16.376 40.033 1.00 31.08 C ATOM 251 CG1 VAL A 46 37.054 14.861 40.286 1.00 26.84 C ATOM 252 CG2 VAL A 46 36.391 17.075 41.291 1.00 31.59 C ATOM 0 H VAL A 46 38.924 15.591 38.364 1.00 29.77 H new ATOM 0 HA VAL A 46 38.038 17.962 39.369 1.00 29.15 H new ATOM 0 HB VAL A 46 36.173 16.488 39.356 1.00 31.08 H new ATOM 0 HG11 VAL A 46 36.224 14.477 40.610 1.00 26.84 H new ATOM 0 HG12 VAL A 46 37.310 14.425 39.458 1.00 26.84 H new ATOM 0 HG13 VAL A 46 37.750 14.731 40.949 1.00 26.84 H new ATOM 0 HG21 VAL A 46 35.567 16.668 41.601 1.00 31.59 H new ATOM 0 HG22 VAL A 46 37.070 16.993 41.978 1.00 31.59 H new ATOM 0 HG23 VAL A 46 36.236 18.014 41.101 1.00 31.59 H new ATOM 253 N ARG A 47 39.493 17.803 41.400 1.00 30.43 N ATOM 254 CA ARG A 47 40.507 17.746 42.446 1.00 33.40 C ATOM 255 C ARG A 47 39.816 18.291 43.678 1.00 32.08 C ATOM 256 O ARG A 47 39.091 19.281 43.586 1.00 32.92 O ATOM 257 CB ARG A 47 41.724 18.625 42.102 1.00 36.23 C ATOM 258 CG ARG A 47 42.938 18.358 42.993 1.00 41.94 C ATOM 259 CD ARG A 47 44.123 19.275 42.687 1.00 46.31 C ATOM 260 NE ARG A 47 43.779 20.679 42.894 1.00 51.38 N ATOM 261 CZ ARG A 47 44.648 21.686 42.847 1.00 54.61 C ATOM 262 NH1 ARG A 47 45.932 21.451 42.605 1.00 55.49 N ATOM 263 NH2 ARG A 47 44.226 22.935 43.015 1.00 55.73 N ATOM 0 H ARG A 47 39.027 18.526 41.402 1.00 30.43 H new ATOM 0 HA ARG A 47 40.843 16.844 42.564 1.00 33.40 H new ATOM 0 HB2 ARG A 47 41.972 18.475 41.176 1.00 36.23 H new ATOM 0 HB3 ARG A 47 41.473 19.559 42.181 1.00 36.23 H new ATOM 0 HG2 ARG A 47 42.681 18.470 43.922 1.00 41.94 H new ATOM 0 HG3 ARG A 47 43.215 17.435 42.885 1.00 41.94 H new ATOM 0 HD2 ARG A 47 44.873 19.037 43.254 1.00 46.31 H new ATOM 0 HD3 ARG A 47 44.408 19.142 41.769 1.00 46.31 H new ATOM 0 HE ARG A 47 42.956 20.869 43.058 1.00 51.38 H new ATOM 0 HH11 ARG A 47 46.205 20.646 42.478 1.00 55.49 H new ATOM 0 HH12 ARG A 47 46.491 22.104 42.575 1.00 55.49 H new ATOM 0 HH21 ARG A 47 43.392 23.092 43.154 1.00 55.73 H new ATOM 0 HH22 ARG A 47 44.787 23.586 42.985 1.00 55.73 H new ATOM 264 N THR A 48 40.026 17.658 44.828 1.00 31.62 N ATOM 265 CA THR A 48 39.377 18.129 46.045 1.00 29.82 C ATOM 266 C THR A 48 39.862 17.419 47.310 1.00 29.96 C ATOM 267 O THR A 48 40.432 16.328 47.241 1.00 29.69 O ATOM 268 CB THR A 48 37.857 17.921 45.941 1.00 29.18 C ATOM 269 OG1 THR A 48 37.209 18.450 47.099 1.00 30.67 O ATOM 270 CG2 THR A 48 37.541 16.421 45.816 1.00 29.59 C ATOM 0 H THR A 48 40.530 16.968 44.924 1.00 31.62 H new ATOM 0 HA THR A 48 39.607 19.068 46.122 1.00 29.82 H new ATOM 0 HB THR A 48 37.532 18.385 45.154 1.00 29.18 H new ATOM 0 HG1 THR A 48 37.204 19.289 47.059 1.00 30.67 H new ATOM 0 HG21 THR A 48 36.581 16.297 45.751 1.00 29.59 H new ATOM 0 HG22 THR A 48 37.967 16.065 45.021 1.00 29.59 H new ATOM 0 HG23 THR A 48 37.875 15.954 46.598 1.00 29.59 H new ATOM 271 N TRP A 49 39.618 18.055 48.456 1.00 30.24 N ATOM 272 CA TRP A 49 39.953 17.495 49.765 1.00 32.26 C ATOM 273 C TRP A 49 38.633 17.279 50.511 1.00 32.13 C ATOM 274 O TRP A 49 38.627 16.795 51.639 1.00 32.93 O ATOM 275 CB TRP A 49 40.823 18.464 50.606 1.00 34.59 C ATOM 276 CG TRP A 49 42.213 18.694 50.073 1.00 40.43 C ATOM 277 CD1 TRP A 49 42.645 19.769 49.340 1.00 40.81 C ATOM 278 CD2 TRP A 49 43.330 17.806 50.175 1.00 42.29 C ATOM 279 NE1 TRP A 49 43.956 19.598 48.978 1.00 44.22 N ATOM 280 CE2 TRP A 49 44.403 18.401 49.474 1.00 44.49 C ATOM 281 CE3 TRP A 49 43.530 16.562 50.785 1.00 45.01 C ATOM 282 CZ2 TRP A 49 45.658 17.794 49.364 1.00 46.09 C ATOM 283 CZ3 TRP A 49 44.777 15.956 50.676 1.00 47.20 C ATOM 284 CH2 TRP A 49 45.826 16.575 49.969 1.00 46.95 C ATOM 0 H TRP A 49 39.250 18.831 48.495 1.00 30.24 H new ATOM 0 HA TRP A 49 40.454 16.674 49.638 1.00 32.26 H new ATOM 0 HB2 TRP A 49 40.368 19.319 50.664 1.00 34.59 H new ATOM 0 HB3 TRP A 49 40.890 18.116 51.509 1.00 34.59 H new ATOM 0 HD1 TRP A 49 42.124 20.507 49.120 1.00 40.81 H new ATOM 0 HE1 TRP A 49 44.423 20.152 48.515 1.00 44.22 H new ATOM 0 HE3 TRP A 49 42.842 16.149 51.254 1.00 45.01 H new ATOM 0 HZ2 TRP A 49 46.352 18.202 48.898 1.00 46.09 H new ATOM 0 HZ3 TRP A 49 44.920 15.129 51.076 1.00 47.20 H new ATOM 0 HH2 TRP A 49 46.650 16.148 49.911 1.00 46.95 H new ATOM 285 N ASP A 50 37.525 17.648 49.868 1.00 30.38 N ATOM 286 CA ASP A 50 36.177 17.568 50.447 1.00 29.65 C ATOM 287 C ASP A 50 35.612 16.162 50.290 1.00 28.54 C ATOM 288 O ASP A 50 35.502 15.657 49.166 1.00 27.32 O ATOM 289 CB ASP A 50 35.273 18.564 49.714 1.00 29.13 C ATOM 290 CG ASP A 50 33.985 18.869 50.449 1.00 31.42 C ATOM 291 OD1 ASP A 50 33.560 18.106 51.350 1.00 30.96 O ATOM 292 OD2 ASP A 50 33.369 19.895 50.098 1.00 32.80 O ATOM 0 H ASP A 50 37.533 17.959 49.066 1.00 30.38 H new ATOM 0 HA ASP A 50 36.219 17.780 51.393 1.00 29.65 H new ATOM 0 HB2 ASP A 50 35.761 19.391 49.576 1.00 29.13 H new ATOM 0 HB3 ASP A 50 35.060 18.210 48.836 1.00 29.13 H new ATOM 293 N PRO A 51 35.242 15.509 51.409 1.00 28.18 N ATOM 294 CA PRO A 51 34.698 14.153 51.283 1.00 27.95 C ATOM 295 C PRO A 51 33.219 14.019 50.883 1.00 28.75 C ATOM 296 O PRO A 51 32.757 12.912 50.579 1.00 31.50 O ATOM 297 CB PRO A 51 34.968 13.551 52.666 1.00 28.35 C ATOM 298 CG PRO A 51 34.751 14.745 53.597 1.00 29.38 C ATOM 299 CD PRO A 51 35.501 15.853 52.827 1.00 27.83 C ATOM 0 HA PRO A 51 35.122 13.698 50.538 1.00 27.95 H new ATOM 0 HB2 PRO A 51 34.361 12.822 52.867 1.00 28.35 H new ATOM 0 HB3 PRO A 51 35.869 13.198 52.736 1.00 28.35 H new ATOM 0 HG2 PRO A 51 33.811 14.952 53.716 1.00 29.38 H new ATOM 0 HG3 PRO A 51 35.123 14.595 54.480 1.00 29.38 H new ATOM 0 HD2 PRO A 51 35.165 16.735 53.050 1.00 27.83 H new ATOM 0 HD3 PRO A 51 36.450 15.852 53.029 1.00 27.83 H new ATOM 300 N GLU A 52 32.474 15.120 50.891 1.00 28.18 N ATOM 301 CA GLU A 52 31.043 15.067 50.573 1.00 28.40 C ATOM 302 C GLU A 52 30.548 16.252 49.753 1.00 28.21 C ATOM 303 O GLU A 52 30.899 17.378 50.044 1.00 26.66 O ATOM 304 CB GLU A 52 30.228 15.008 51.864 1.00 25.25 C ATOM 305 CG GLU A 52 28.724 14.872 51.655 1.00 28.49 C ATOM 306 CD GLU A 52 27.959 14.582 52.939 1.00 27.73 C ATOM 307 OE1 GLU A 52 28.349 13.650 53.684 1.00 29.24 O ATOM 308 OE2 GLU A 52 26.951 15.273 53.187 1.00 31.15 O ATOM 0 H GLU A 52 32.772 15.905 51.076 1.00 28.18 H new ATOM 0 HA GLU A 52 30.922 14.269 50.034 1.00 28.40 H new ATOM 0 HB2 GLU A 52 30.539 14.258 52.395 1.00 25.25 H new ATOM 0 HB3 GLU A 52 30.400 15.812 52.379 1.00 25.25 H new ATOM 0 HG2 GLU A 52 28.384 15.691 51.261 1.00 28.49 H new ATOM 0 HG3 GLU A 52 28.556 14.160 51.018 1.00 28.49 H new ATOM 309 N GLY A 53 29.719 15.986 48.744 1.00 27.79 N ATOM 310 CA GLY A 53 29.176 17.059 47.931 1.00 27.44 C ATOM 311 C GLY A 53 28.726 16.613 46.549 1.00 28.20 C ATOM 312 O GLY A 53 29.003 15.490 46.115 1.00 27.14 O ATOM 0 H GLY A 53 29.463 15.196 48.519 1.00 27.79 H new ATOM 0 HA2 GLY A 53 28.422 17.456 48.395 1.00 27.44 H new ATOM 0 HA3 GLY A 53 29.847 17.753 47.835 1.00 27.44 H new ATOM 313 N VAL A 54 28.042 17.509 45.851 1.00 26.10 N ATOM 314 CA VAL A 54 27.552 17.221 44.509 1.00 25.48 C ATOM 315 C VAL A 54 28.557 17.635 43.441 1.00 24.90 C ATOM 316 O VAL A 54 28.991 18.795 43.405 1.00 24.92 O ATOM 317 CB VAL A 54 26.245 17.985 44.215 1.00 27.28 C ATOM 318 CG1 VAL A 54 25.802 17.715 42.759 1.00 23.90 C ATOM 319 CG2 VAL A 54 25.154 17.596 45.228 1.00 25.09 C ATOM 0 H VAL A 54 27.849 18.296 46.138 1.00 26.10 H new ATOM 0 HA VAL A 54 27.405 16.263 44.480 1.00 25.48 H new ATOM 0 HB VAL A 54 26.398 18.938 44.311 1.00 27.28 H new ATOM 0 HG11 VAL A 54 24.980 18.196 42.576 1.00 23.90 H new ATOM 0 HG12 VAL A 54 26.494 18.015 42.149 1.00 23.90 H new ATOM 0 HG13 VAL A 54 25.653 16.764 42.637 1.00 23.90 H new ATOM 0 HG21 VAL A 54 24.339 18.084 45.030 1.00 25.09 H new ATOM 0 HG22 VAL A 54 24.982 16.643 45.169 1.00 25.09 H new ATOM 0 HG23 VAL A 54 25.452 17.815 46.125 1.00 25.09 H new ATOM 320 N ILE A 55 28.935 16.700 42.578 1.00 20.97 N ATOM 321 CA ILE A 55 29.819 17.049 41.478 1.00 22.25 C ATOM 322 C ILE A 55 28.892 17.561 40.365 1.00 23.85 C ATOM 323 O ILE A 55 29.110 18.643 39.824 1.00 25.45 O ATOM 324 CB ILE A 55 30.650 15.861 40.994 1.00 20.28 C ATOM 325 CG1 ILE A 55 31.673 15.482 42.057 1.00 21.64 C ATOM 326 CG2 ILE A 55 31.402 16.244 39.715 1.00 22.35 C ATOM 327 CD1 ILE A 55 32.500 14.234 41.708 1.00 25.10 C ATOM 0 H ILE A 55 28.696 15.874 42.610 1.00 20.97 H new ATOM 0 HA ILE A 55 30.468 17.714 41.755 1.00 22.25 H new ATOM 0 HB ILE A 55 30.056 15.114 40.821 1.00 20.28 H new ATOM 0 HG12 ILE A 55 32.275 16.230 42.195 1.00 21.64 H new ATOM 0 HG13 ILE A 55 31.212 15.330 42.897 1.00 21.64 H new ATOM 0 HG21 ILE A 55 31.928 15.488 39.410 1.00 22.35 H new ATOM 0 HG22 ILE A 55 30.765 16.492 39.027 1.00 22.35 H new ATOM 0 HG23 ILE A 55 31.989 16.994 39.897 1.00 22.35 H new ATOM 0 HD11 ILE A 55 33.128 14.051 42.424 1.00 25.10 H new ATOM 0 HD12 ILE A 55 31.908 13.474 41.596 1.00 25.10 H new ATOM 0 HD13 ILE A 55 32.987 14.388 40.883 1.00 25.10 H new ATOM 328 N PHE A 56 27.865 16.789 40.016 1.00 22.90 N ATOM 329 CA PHE A 56 26.898 17.265 39.038 1.00 22.71 C ATOM 330 C PHE A 56 25.564 16.543 39.146 1.00 24.32 C ATOM 331 O PHE A 56 25.451 15.404 39.664 1.00 21.45 O ATOM 332 CB PHE A 56 27.476 17.266 37.596 1.00 21.39 C ATOM 333 CG PHE A 56 27.323 15.976 36.848 1.00 23.76 C ATOM 334 CD1 PHE A 56 26.123 15.661 36.210 1.00 25.49 C ATOM 335 CD2 PHE A 56 28.387 15.093 36.746 1.00 20.22 C ATOM 336 CE1 PHE A 56 25.987 14.479 35.470 1.00 22.93 C ATOM 337 CE2 PHE A 56 28.267 13.901 36.009 1.00 25.36 C ATOM 338 CZ PHE A 56 27.064 13.598 35.371 1.00 24.55 C ATOM 0 H PHE A 56 27.714 16.002 40.328 1.00 22.90 H new ATOM 0 HA PHE A 56 26.714 18.193 39.252 1.00 22.71 H new ATOM 0 HB2 PHE A 56 27.043 17.971 37.089 1.00 21.39 H new ATOM 0 HB3 PHE A 56 28.419 17.488 37.641 1.00 21.39 H new ATOM 0 HD1 PHE A 56 25.402 16.245 36.277 1.00 25.49 H new ATOM 0 HD2 PHE A 56 29.190 15.291 37.170 1.00 20.22 H new ATOM 0 HE1 PHE A 56 25.182 14.283 35.047 1.00 22.93 H new ATOM 0 HE2 PHE A 56 28.988 13.316 35.947 1.00 25.36 H new ATOM 0 HZ PHE A 56 26.980 12.812 34.882 1.00 24.55 H new ATOM 339 N TYR A 57 24.542 17.254 38.702 1.00 22.11 N ATOM 340 CA TYR A 57 23.175 16.799 38.748 1.00 23.46 C ATOM 341 C TYR A 57 22.618 16.885 37.326 1.00 26.83 C ATOM 342 O TYR A 57 23.054 17.731 36.530 1.00 26.87 O ATOM 343 CB TYR A 57 22.390 17.717 39.682 1.00 24.31 C ATOM 344 CG TYR A 57 20.889 17.604 39.574 1.00 25.71 C ATOM 345 CD1 TYR A 57 20.153 16.887 40.525 1.00 25.92 C ATOM 346 CD2 TYR A 57 20.196 18.238 38.534 1.00 25.12 C ATOM 347 CE1 TYR A 57 18.762 16.807 40.444 1.00 26.64 C ATOM 348 CE2 TYR A 57 18.809 18.164 38.439 1.00 25.94 C ATOM 349 CZ TYR A 57 18.100 17.449 39.400 1.00 25.93 C ATOM 350 OH TYR A 57 16.731 17.387 39.334 1.00 27.16 O ATOM 0 H TYR A 57 24.631 18.036 38.356 1.00 22.11 H new ATOM 0 HA TYR A 57 23.109 15.888 39.075 1.00 23.46 H new ATOM 0 HB2 TYR A 57 22.650 17.525 40.596 1.00 24.31 H new ATOM 0 HB3 TYR A 57 22.646 18.635 39.501 1.00 24.31 H new ATOM 0 HD1 TYR A 57 20.597 16.458 41.220 1.00 25.92 H new ATOM 0 HD2 TYR A 57 20.672 18.718 37.895 1.00 25.12 H new ATOM 0 HE1 TYR A 57 18.282 16.329 41.081 1.00 26.64 H new ATOM 0 HE2 TYR A 57 18.362 18.587 37.742 1.00 25.94 H new ATOM 0 HH TYR A 57 16.470 17.716 38.607 1.00 27.16 H new ATOM 351 N GLY A 58 21.671 16.006 37.014 1.00 26.68 N ATOM 352 CA GLY A 58 21.069 16.014 35.694 1.00 26.64 C ATOM 353 C GLY A 58 19.640 15.549 35.784 1.00 29.34 C ATOM 354 O GLY A 58 19.330 14.708 36.636 1.00 25.14 O ATOM 0 H GLY A 58 21.368 15.404 37.548 1.00 26.68 H new ATOM 0 HA2 GLY A 58 21.104 16.908 35.318 1.00 26.64 H new ATOM 0 HA3 GLY A 58 21.569 15.436 35.097 1.00 26.64 H new ATOM 355 N ASP A 59 18.764 16.100 34.936 1.00 28.19 N ATOM 356 CA ASP A 59 17.363 15.697 34.927 1.00 30.65 C ATOM 357 C ASP A 59 16.680 16.024 33.611 1.00 33.12 C ATOM 358 O ASP A 59 17.247 16.697 32.760 1.00 32.41 O ATOM 359 CB ASP A 59 16.570 16.333 36.091 1.00 27.64 C ATOM 360 CG ASP A 59 16.234 17.831 35.879 1.00 32.10 C ATOM 361 OD1 ASP A 59 16.328 18.337 34.738 1.00 25.16 O ATOM 362 OD2 ASP A 59 15.855 18.495 36.881 1.00 26.65 O ATOM 0 H ASP A 59 18.965 16.707 34.361 1.00 28.19 H new ATOM 0 HA ASP A 59 17.365 14.734 35.041 1.00 30.65 H new ATOM 0 HB2 ASP A 59 15.744 15.840 36.215 1.00 27.64 H new ATOM 0 HB3 ASP A 59 17.082 16.238 36.909 1.00 27.64 H new ATOM 363 N THR A 60 15.482 15.479 33.434 1.00 37.16 N ATOM 364 CA THR A 60 14.660 15.755 32.261 1.00 40.72 C ATOM 365 C THR A 60 13.373 16.214 32.918 1.00 43.63 C ATOM 366 O THR A 60 12.503 16.786 32.274 1.00 44.31 O ATOM 367 CB THR A 60 14.350 14.504 31.417 1.00 41.61 C ATOM 368 OG1 THR A 60 13.541 13.592 32.174 1.00 42.28 O ATOM 369 CG2 THR A 60 15.628 13.832 30.979 1.00 41.35 C ATOM 0 H THR A 60 15.121 14.935 33.994 1.00 37.16 H new ATOM 0 HA THR A 60 15.091 16.373 31.650 1.00 40.72 H new ATOM 0 HB THR A 60 13.861 14.775 30.624 1.00 41.61 H new ATOM 0 HG1 THR A 60 12.737 13.672 31.943 1.00 42.28 H new ATOM 0 HG21 THR A 60 15.416 13.047 30.449 1.00 41.35 H new ATOM 0 HG22 THR A 60 16.152 14.450 30.446 1.00 41.35 H new ATOM 0 HG23 THR A 60 16.138 13.566 31.760 1.00 41.35 H new ATOM 370 N ASN A 61 13.295 15.962 34.225 1.00 45.41 N ATOM 371 CA ASN A 61 12.147 16.309 35.059 1.00 47.79 C ATOM 372 C ASN A 61 12.605 16.238 36.522 1.00 49.33 C ATOM 373 O ASN A 61 12.966 15.170 37.014 1.00 49.23 O ATOM 374 CB ASN A 61 11.016 15.305 34.833 1.00 49.42 C ATOM 375 CG ASN A 61 9.748 15.679 35.578 1.00 50.51 C ATOM 376 OD1 ASN A 61 9.790 16.043 36.759 1.00 52.15 O ATOM 377 ND2 ASN A 61 8.611 15.585 34.896 1.00 48.96 N ATOM 0 H ASN A 61 13.926 15.574 34.661 1.00 45.41 H new ATOM 0 HA ASN A 61 11.822 17.196 34.838 1.00 47.79 H new ATOM 0 HB2 ASN A 61 10.824 15.247 33.884 1.00 49.42 H new ATOM 0 HB3 ASN A 61 11.307 14.425 35.118 1.00 49.42 H new ATOM 0 HD21 ASN A 61 7.865 15.781 35.275 1.00 48.96 H new ATOM 0 HD22 ASN A 61 8.622 15.328 34.075 1.00 48.96 H new ATOM 378 N PRO A 62 12.596 17.371 37.238 1.00 50.04 N ATOM 379 CA PRO A 62 13.036 17.326 38.637 1.00 50.90 C ATOM 380 C PRO A 62 12.184 16.428 39.517 1.00 51.15 C ATOM 381 O PRO A 62 12.660 15.909 40.524 1.00 51.05 O ATOM 382 CB PRO A 62 12.982 18.793 39.064 1.00 51.42 C ATOM 383 CG PRO A 62 11.866 19.342 38.223 1.00 51.44 C ATOM 384 CD PRO A 62 12.141 18.723 36.869 1.00 50.48 C ATOM 0 HA PRO A 62 13.918 16.933 38.730 1.00 50.90 H new ATOM 0 HB2 PRO A 62 12.798 18.886 40.012 1.00 51.42 H new ATOM 0 HB3 PRO A 62 13.821 19.249 38.892 1.00 51.42 H new ATOM 0 HG2 PRO A 62 10.996 19.087 38.567 1.00 51.44 H new ATOM 0 HG3 PRO A 62 11.884 20.311 38.187 1.00 51.44 H new ATOM 0 HD2 PRO A 62 11.347 18.700 36.312 1.00 50.48 H new ATOM 0 HD3 PRO A 62 12.818 19.212 36.377 1.00 50.48 H new ATOM 385 N LYS A 63 10.929 16.240 39.130 1.00 51.20 N ATOM 386 CA LYS A 63 10.018 15.392 39.893 1.00 52.19 C ATOM 387 C LYS A 63 10.348 13.897 39.835 1.00 51.47 C ATOM 388 O LYS A 63 10.602 13.268 40.865 1.00 52.70 O ATOM 389 CB LYS A 63 8.572 15.591 39.409 1.00 53.96 C ATOM 390 CG LYS A 63 7.823 16.787 40.003 1.00 53.89 C ATOM 391 CD LYS A 63 6.542 17.073 39.206 1.00 55.41 C ATOM 392 CE LYS A 63 5.613 18.082 39.896 1.00 54.92 C ATOM 393 NZ LYS A 63 4.785 17.487 40.988 1.00 54.04 N ATOM 0 H LYS A 63 10.583 16.595 38.427 1.00 51.20 H new ATOM 0 HA LYS A 63 10.124 15.672 40.816 1.00 52.19 H new ATOM 0 HB2 LYS A 63 8.583 15.686 38.444 1.00 53.96 H new ATOM 0 HB3 LYS A 63 8.069 14.786 39.609 1.00 53.96 H new ATOM 0 HG2 LYS A 63 7.600 16.607 40.930 1.00 53.89 H new ATOM 0 HG3 LYS A 63 8.396 17.570 39.996 1.00 53.89 H new ATOM 0 HD2 LYS A 63 6.782 17.411 38.329 1.00 55.41 H new ATOM 0 HD3 LYS A 63 6.062 16.242 39.068 1.00 55.41 H new ATOM 0 HE2 LYS A 63 6.148 18.803 40.263 1.00 54.92 H new ATOM 0 HE3 LYS A 63 5.025 18.474 39.232 1.00 54.92 H new ATOM 0 HZ1 LYS A 63 4.270 18.118 41.348 1.00 54.04 H new ATOM 0 HZ2 LYS A 63 4.272 16.841 40.654 1.00 54.04 H new ATOM 0 HZ3 LYS A 63 5.319 17.148 41.614 1.00 54.04 H new ATOM 394 N ASP A 64 10.380 13.326 38.634 1.00 48.36 N ATOM 395 CA ASP A 64 10.596 11.886 38.536 1.00 46.03 C ATOM 396 C ASP A 64 11.615 11.363 37.534 1.00 41.88 C ATOM 397 O ASP A 64 11.568 10.184 37.175 1.00 39.19 O ATOM 398 CB ASP A 64 9.255 11.234 38.236 1.00 48.72 C ATOM 399 CG ASP A 64 8.604 11.832 37.012 1.00 51.04 C ATOM 400 OD1 ASP A 64 9.293 11.904 35.972 1.00 51.81 O ATOM 401 OD2 ASP A 64 7.418 12.234 37.086 1.00 52.03 O ATOM 0 H ASP A 64 10.282 13.739 37.886 1.00 48.36 H new ATOM 0 HA ASP A 64 10.987 11.653 39.393 1.00 46.03 H new ATOM 0 HB2 ASP A 64 9.381 10.281 38.103 1.00 48.72 H new ATOM 0 HB3 ASP A 64 8.666 11.339 39.000 1.00 48.72 H new ATOM 402 N ASP A 65 12.527 12.215 37.077 1.00 37.02 N ATOM 403 CA ASP A 65 13.528 11.779 36.115 1.00 33.57 C ATOM 404 C ASP A 65 14.830 12.514 36.387 1.00 31.01 C ATOM 405 O ASP A 65 15.175 13.459 35.670 1.00 27.89 O ATOM 406 CB ASP A 65 13.063 12.115 34.705 1.00 38.35 C ATOM 407 CG ASP A 65 13.318 11.000 33.730 1.00 41.69 C ATOM 408 OD1 ASP A 65 12.377 10.227 33.448 1.00 43.34 O ATOM 409 OD2 ASP A 65 14.460 10.888 33.247 1.00 44.86 O ATOM 0 H ASP A 65 12.582 13.041 37.309 1.00 37.02 H new ATOM 0 HA ASP A 65 13.658 10.821 36.197 1.00 33.57 H new ATOM 0 HB2 ASP A 65 12.114 12.316 34.720 1.00 38.35 H new ATOM 0 HB3 ASP A 65 13.517 12.916 34.401 1.00 38.35 H new ATOM 410 N TRP A 66 15.568 12.080 37.404 1.00 27.84 N ATOM 411 CA TRP A 66 16.806 12.768 37.735 1.00 25.45 C ATOM 412 C TRP A 66 17.984 11.870 38.114 1.00 25.46 C ATOM 413 O TRP A 66 17.826 10.665 38.385 1.00 23.28 O ATOM 414 CB TRP A 66 16.534 13.796 38.835 1.00 23.49 C ATOM 415 CG TRP A 66 16.036 13.186 40.105 1.00 25.10 C ATOM 416 CD1 TRP A 66 14.734 12.991 40.470 1.00 23.77 C ATOM 417 CD2 TRP A 66 16.837 12.686 41.187 1.00 22.68 C ATOM 418 NE1 TRP A 66 14.672 12.405 41.715 1.00 24.25 N ATOM 419 CE2 TRP A 66 15.946 12.208 42.180 1.00 23.73 C ATOM 420 CE3 TRP A 66 18.220 12.594 41.412 1.00 23.89 C ATOM 421 CZ2 TRP A 66 16.391 11.648 43.382 1.00 23.33 C ATOM 422 CZ3 TRP A 66 18.670 12.029 42.614 1.00 23.06 C ATOM 423 CH2 TRP A 66 17.752 11.567 43.581 1.00 26.06 C ATOM 0 H TRP A 66 15.375 11.406 37.902 1.00 27.84 H new ATOM 0 HA TRP A 66 17.093 13.199 36.915 1.00 25.45 H new ATOM 0 HB2 TRP A 66 17.350 14.288 39.018 1.00 23.49 H new ATOM 0 HB3 TRP A 66 15.881 14.438 38.515 1.00 23.49 H new ATOM 0 HD1 TRP A 66 13.996 13.221 39.953 1.00 23.77 H new ATOM 0 HE1 TRP A 66 13.950 12.196 42.133 1.00 24.25 H new ATOM 0 HE3 TRP A 66 18.825 12.902 40.777 1.00 23.89 H new ATOM 0 HZ2 TRP A 66 15.791 11.342 44.023 1.00 23.33 H new ATOM 0 HZ3 TRP A 66 19.583 11.958 42.776 1.00 23.06 H new ATOM 0 HH2 TRP A 66 18.074 11.199 44.372 1.00 26.06 H new ATOM 424 N PHE A 67 19.160 12.494 38.157 1.00 23.81 N ATOM 425 CA PHE A 67 20.433 11.830 38.422 1.00 22.77 C ATOM 426 C PHE A 67 21.382 12.756 39.187 1.00 23.14 C ATOM 427 O PHE A 67 21.386 13.983 38.979 1.00 22.75 O ATOM 428 CB PHE A 67 21.063 11.482 37.065 1.00 23.40 C ATOM 429 CG PHE A 67 22.457 10.930 37.135 1.00 24.29 C ATOM 430 CD1 PHE A 67 22.678 9.550 37.057 1.00 26.23 C ATOM 431 CD2 PHE A 67 23.569 11.788 37.188 1.00 23.74 C ATOM 432 CE1 PHE A 67 23.985 9.025 37.025 1.00 23.91 C ATOM 433 CE2 PHE A 67 24.877 11.280 37.156 1.00 25.05 C ATOM 434 CZ PHE A 67 25.089 9.890 37.073 1.00 25.37 C ATOM 0 H PHE A 67 19.240 13.341 38.029 1.00 23.81 H new ATOM 0 HA PHE A 67 20.282 11.037 38.960 1.00 22.77 H new ATOM 0 HB2 PHE A 67 20.496 10.835 36.617 1.00 23.40 H new ATOM 0 HB3 PHE A 67 21.073 12.280 36.514 1.00 23.40 H new ATOM 0 HD1 PHE A 67 21.951 8.971 37.026 1.00 26.23 H new ATOM 0 HD2 PHE A 67 23.436 12.707 37.245 1.00 23.74 H new ATOM 0 HE1 PHE A 67 24.116 8.106 36.972 1.00 23.91 H new ATOM 0 HE2 PHE A 67 25.603 11.860 37.190 1.00 25.05 H new ATOM 0 HZ PHE A 67 25.954 9.548 37.050 1.00 25.37 H new ATOM 435 N AMET A 68 22.191 12.170 40.059 0.50 21.82 N ATOM 436 N BMET A 68 22.193 12.171 40.060 0.50 22.02 N ATOM 437 CA AMET A 68 23.173 12.939 40.824 0.50 21.92 C ATOM 438 CA BMET A 68 23.152 12.950 40.843 0.50 22.32 C ATOM 439 C AMET A 68 24.464 12.135 40.976 0.50 22.47 C ATOM 440 C BMET A 68 24.458 12.158 41.028 0.50 22.84 C ATOM 441 O AMET A 68 24.427 10.945 41.313 0.50 19.52 O ATOM 442 O BMET A 68 24.422 10.990 41.435 0.50 20.11 O ATOM 443 CB AMET A 68 22.615 13.260 42.217 0.50 24.40 C ATOM 444 CB BMET A 68 22.519 13.271 42.205 0.50 24.77 C ATOM 445 CG AMET A 68 23.510 14.126 43.115 0.50 25.57 C ATOM 446 CG BMET A 68 23.231 14.312 43.051 0.50 27.06 C ATOM 447 SD AMET A 68 25.104 13.451 43.636 0.50 29.59 S ATOM 448 SD BMET A 68 24.313 13.669 44.330 0.50 28.36 S ATOM 449 CE AMET A 68 24.573 12.078 44.784 0.50 21.98 C ATOM 450 CE BMET A 68 23.203 13.097 45.499 0.50 24.64 C ATOM 0 H AMET A 68 22.190 11.326 40.225 0.50 22.02 H new ATOM 0 H BMET A 68 22.206 11.325 40.216 0.50 22.02 H new ATOM 0 HA AMET A 68 23.359 13.764 40.349 0.50 22.32 H new ATOM 0 HA BMET A 68 23.367 13.774 40.379 0.50 22.32 H new ATOM 0 HB2AMET A 68 21.763 13.710 42.109 0.50 24.77 H new ATOM 0 HB2BMET A 68 21.609 13.572 42.054 0.50 24.77 H new ATOM 0 HB3AMET A 68 22.438 12.424 42.676 0.50 24.77 H new ATOM 0 HB3BMET A 68 22.465 12.449 42.717 0.50 24.77 H new ATOM 0 HG2AMET A 68 23.679 14.960 42.649 0.50 27.06 H new ATOM 0 HG2BMET A 68 23.754 14.880 42.463 0.50 27.06 H new ATOM 0 HG3AMET A 68 23.005 14.345 43.914 0.50 27.06 H new ATOM 0 HG3BMET A 68 22.563 14.877 43.470 0.50 27.06 H new ATOM 0 HE1AMET A 68 25.357 11.629 45.137 0.50 24.64 H new ATOM 0 HE1BMET A 68 23.688 12.764 46.270 0.50 24.64 H new ATOM 0 HE2AMET A 68 24.057 12.450 45.516 0.50 24.64 H new ATOM 0 HE2BMET A 68 22.619 13.822 45.773 0.50 24.64 H new ATOM 0 HE3AMET A 68 24.028 11.441 44.296 0.50 24.64 H new ATOM 0 HE3BMET A 68 22.672 12.381 45.118 0.50 24.64 H new ATOM 451 N LEU A 69 25.597 12.781 40.708 1.00 21.03 N ATOM 452 CA LEU A 69 26.907 12.151 40.896 1.00 21.43 C ATOM 453 C LEU A 69 27.562 13.056 41.932 1.00 22.69 C ATOM 454 O LEU A 69 27.617 14.280 41.766 1.00 22.58 O ATOM 455 CB LEU A 69 27.799 12.142 39.641 1.00 20.58 C ATOM 456 CG LEU A 69 29.287 11.786 39.905 1.00 22.07 C ATOM 457 CD1 LEU A 69 29.414 10.314 40.371 1.00 24.15 C ATOM 458 CD2 LEU A 69 30.124 11.986 38.631 1.00 22.37 C ATOM 0 H ALEU A 69 25.631 13.589 40.415 0.50 21.03 H new ATOM 0 H BLEU A 69 25.631 13.575 40.378 0.50 21.03 H new ATOM 0 HA LEU A 69 26.801 11.218 41.138 1.00 21.43 H new ATOM 0 HB2 LEU A 69 27.435 11.506 39.005 1.00 20.58 H new ATOM 0 HB3 LEU A 69 27.758 13.017 39.223 1.00 20.58 H new ATOM 0 HG LEU A 69 29.618 12.375 40.601 1.00 22.07 H new ATOM 0 HD11 LEU A 69 30.347 10.105 40.532 1.00 24.15 H new ATOM 0 HD12 LEU A 69 28.909 10.189 41.190 1.00 24.15 H new ATOM 0 HD13 LEU A 69 29.065 9.725 39.683 1.00 24.15 H new ATOM 0 HD21 LEU A 69 31.050 11.760 38.813 1.00 22.37 H new ATOM 0 HD22 LEU A 69 29.784 11.412 37.927 1.00 22.37 H new ATOM 0 HD23 LEU A 69 30.068 12.912 38.349 1.00 22.37 H new ATOM 459 N GLY A 70 28.023 12.465 43.021 1.00 20.74 N ATOM 460 CA GLY A 70 28.683 13.245 44.040 1.00 22.93 C ATOM 461 C GLY A 70 29.698 12.404 44.763 1.00 23.28 C ATOM 462 O GLY A 70 30.116 11.356 44.259 1.00 23.31 O ATOM 0 H GLY A 70 27.963 11.623 43.185 1.00 20.74 H new ATOM 0 HA2 GLY A 70 29.117 14.013 43.638 1.00 22.93 H new ATOM 0 HA3 GLY A 70 28.029 13.586 44.670 1.00 22.93 H new ATOM 463 N LEU A 71 30.128 12.899 45.922 1.00 23.75 N ATOM 464 CA LEU A 71 31.064 12.194 46.773 1.00 23.28 C ATOM 465 C LEU A 71 30.425 12.028 48.149 1.00 22.80 C ATOM 466 O LEU A 71 29.702 12.901 48.615 1.00 23.50 O ATOM 467 CB LEU A 71 32.377 12.981 46.936 1.00 24.99 C ATOM 468 CG LEU A 71 33.301 13.203 45.727 1.00 24.04 C ATOM 469 CD1 LEU A 71 34.544 13.977 46.224 1.00 25.59 C ATOM 470 CD2 LEU A 71 33.708 11.841 45.062 1.00 22.48 C ATOM 0 H LEU A 71 29.879 13.661 46.234 1.00 23.75 H new ATOM 0 HA LEU A 71 31.269 11.337 46.368 1.00 23.28 H new ATOM 0 HB2 LEU A 71 32.146 13.856 47.286 1.00 24.99 H new ATOM 0 HB3 LEU A 71 32.899 12.531 47.618 1.00 24.99 H new ATOM 0 HG LEU A 71 32.839 13.714 45.044 1.00 24.04 H new ATOM 0 HD11 LEU A 71 35.147 14.132 45.481 1.00 25.59 H new ATOM 0 HD12 LEU A 71 34.267 14.828 46.598 1.00 25.59 H new ATOM 0 HD13 LEU A 71 34.998 13.457 46.905 1.00 25.59 H new ATOM 0 HD21 LEU A 71 34.289 12.012 44.304 1.00 22.48 H new ATOM 0 HD22 LEU A 71 34.175 11.291 45.710 1.00 22.48 H new ATOM 0 HD23 LEU A 71 32.911 11.377 44.760 1.00 22.48 H new ATOM 471 N ARG A 72 30.677 10.890 48.785 1.00 22.88 N ATOM 472 CA ARG A 72 30.200 10.645 50.143 1.00 24.07 C ATOM 473 C ARG A 72 31.335 9.804 50.730 1.00 24.31 C ATOM 474 O ARG A 72 31.721 8.777 50.163 1.00 23.22 O ATOM 475 CB ARG A 72 28.835 9.929 50.200 1.00 21.07 C ATOM 476 CG ARG A 72 28.249 9.990 51.646 1.00 23.84 C ATOM 477 CD ARG A 72 27.025 9.110 51.860 1.00 22.53 C ATOM 478 NE ARG A 72 25.921 9.463 50.970 1.00 21.46 N ATOM 479 CZ ARG A 72 25.008 10.395 51.209 1.00 23.41 C ATOM 480 NH1 ARG A 72 25.037 11.099 52.345 1.00 23.48 N ATOM 481 NH2 ARG A 72 24.068 10.636 50.298 1.00 19.51 N ATOM 0 H ARG A 72 31.127 10.241 48.445 1.00 22.88 H new ATOM 0 HA ARG A 72 30.023 11.462 50.635 1.00 24.07 H new ATOM 0 HB2 ARG A 72 28.219 10.345 49.577 1.00 21.07 H new ATOM 0 HB3 ARG A 72 28.936 9.005 49.924 1.00 21.07 H new ATOM 0 HG2 ARG A 72 28.939 9.726 52.275 1.00 23.84 H new ATOM 0 HG3 ARG A 72 28.014 10.909 51.851 1.00 23.84 H new ATOM 0 HD2 ARG A 72 27.268 8.182 51.717 1.00 22.53 H new ATOM 0 HD3 ARG A 72 26.732 9.187 52.781 1.00 22.53 H new ATOM 0 HE ARG A 72 25.858 9.030 50.229 1.00 21.46 H new ATOM 0 HH11 ARG A 72 25.651 10.949 52.928 1.00 23.48 H new ATOM 0 HH12 ARG A 72 24.442 11.702 52.493 1.00 23.48 H new ATOM 0 HH21 ARG A 72 24.057 10.189 49.563 1.00 19.51 H new ATOM 0 HH22 ARG A 72 23.472 11.238 50.444 1.00 19.51 H new ATOM 482 N AASP A 73 31.865 10.263 51.866 0.50 25.18 N ATOM 483 N BASP A 73 31.879 10.269 51.854 0.50 25.31 N ATOM 484 CA AASP A 73 33.003 9.634 52.537 0.50 25.04 C ATOM 485 CA BASP A 73 32.999 9.599 52.500 0.50 25.13 C ATOM 486 C AASP A 73 34.138 9.506 51.526 0.50 24.22 C ATOM 487 C BASP A 73 34.131 9.487 51.495 0.50 24.36 C ATOM 488 O AASP A 73 34.817 8.480 51.452 0.50 24.96 O ATOM 489 O BASP A 73 34.809 8.460 51.403 0.50 25.00 O ATOM 490 CB AASP A 73 32.647 8.250 53.114 0.50 27.40 C ATOM 491 CB BASP A 73 32.575 8.216 53.005 0.50 27.94 C ATOM 492 CG AASP A 73 33.425 7.935 54.395 0.50 29.51 C ATOM 493 CG BASP A 73 31.458 8.302 54.014 0.50 28.93 C ATOM 494 OD1AASP A 73 34.482 8.570 54.641 0.50 30.33 O ATOM 495 OD1BASP A 73 31.644 8.976 55.047 0.50 31.41 O ATOM 496 OD2AASP A 73 32.988 7.045 55.160 0.50 31.09 O ATOM 497 OD2BASP A 73 30.387 7.709 53.778 0.50 34.37 O ATOM 0 H AASP A 73 31.568 10.959 52.274 0.50 25.31 H new ATOM 0 H BASP A 73 31.609 10.978 52.259 0.50 25.31 H new ATOM 0 HA AASP A 73 33.269 10.188 53.287 0.50 25.13 H new ATOM 0 HA BASP A 73 33.296 10.110 53.269 0.50 25.13 H new ATOM 0 HB2AASP A 73 31.696 8.214 53.299 0.50 27.94 H new ATOM 0 HB2BASP A 73 32.291 7.672 52.254 0.50 27.94 H new ATOM 0 HB3AASP A 73 32.832 7.568 52.450 0.50 27.94 H new ATOM 0 HB3BASP A 73 33.338 7.771 53.405 0.50 27.94 H new ATOM 498 N GLY A 74 34.319 10.564 50.733 1.00 24.87 N ATOM 499 CA GLY A 74 35.376 10.617 49.727 1.00 22.48 C ATOM 500 C GLY A 74 35.178 9.855 48.425 1.00 23.78 C ATOM 501 O GLY A 74 35.909 10.068 47.441 1.00 22.79 O ATOM 0 H AGLY A 74 33.830 11.271 50.765 0.50 24.87 H new ATOM 0 H BGLY A 74 33.842 11.278 50.784 0.50 24.87 H new ATOM 0 HA2 GLY A 74 35.524 11.549 49.504 1.00 22.48 H new ATOM 0 HA3 GLY A 74 36.192 10.291 50.139 1.00 22.48 H new ATOM 502 N ARG A 75 34.185 8.976 48.391 1.00 22.60 N ATOM 503 CA ARG A 75 33.985 8.145 47.200 1.00 19.69 C ATOM 504 C ARG A 75 32.787 8.547 46.376 1.00 19.57 C ATOM 505 O ARG A 75 31.823 9.135 46.891 1.00 19.22 O ATOM 506 CB ARG A 75 33.814 6.669 47.605 1.00 21.22 C ATOM 507 CG ARG A 75 34.933 6.128 48.486 1.00 22.92 C ATOM 508 CD ARG A 75 34.616 4.716 49.011 1.00 28.37 C ATOM 509 NE ARG A 75 35.625 4.300 49.985 1.00 29.71 N ATOM 510 CZ ARG A 75 36.744 3.654 49.675 1.00 32.30 C ATOM 511 NH1 ARG A 75 37.010 3.333 48.406 1.00 31.79 N ATOM 512 NH2 ARG A 75 37.601 3.338 50.638 1.00 29.04 N ATOM 0 H ARG A 75 33.624 8.843 49.029 1.00 22.60 H new ATOM 0 HA ARG A 75 34.777 8.274 46.655 1.00 19.69 H new ATOM 0 HB2 ARG A 75 32.970 6.568 48.073 1.00 21.22 H new ATOM 0 HB3 ARG A 75 33.759 6.128 46.802 1.00 21.22 H new ATOM 0 HG2 ARG A 75 35.761 6.107 47.981 1.00 22.92 H new ATOM 0 HG3 ARG A 75 35.073 6.728 49.235 1.00 22.92 H new ATOM 0 HD2 ARG A 75 33.737 4.706 49.422 1.00 28.37 H new ATOM 0 HD3 ARG A 75 34.591 4.087 48.273 1.00 28.37 H new ATOM 0 HE ARG A 75 35.485 4.486 50.813 1.00 29.71 H new ATOM 0 HH11 ARG A 75 36.455 3.544 47.784 1.00 31.79 H new ATOM 0 HH12 ARG A 75 37.736 2.915 48.211 1.00 31.79 H new ATOM 0 HH21 ARG A 75 37.429 3.551 51.453 1.00 29.04 H new ATOM 0 HH22 ARG A 75 38.328 2.920 50.447 1.00 29.04 H new ATOM 513 N PRO A 76 32.838 8.239 45.073 1.00 19.89 N ATOM 514 CA PRO A 76 31.752 8.540 44.137 1.00 22.31 C ATOM 515 C PRO A 76 30.454 7.942 44.658 1.00 22.20 C ATOM 516 O PRO A 76 30.456 6.832 45.190 1.00 22.04 O ATOM 517 CB PRO A 76 32.164 7.806 42.869 1.00 19.64 C ATOM 518 CG PRO A 76 33.672 7.829 42.921 1.00 24.68 C ATOM 519 CD PRO A 76 34.026 7.701 44.381 1.00 21.10 C ATOM 0 HA PRO A 76 31.612 9.491 44.007 1.00 22.31 H new ATOM 0 HB2 PRO A 76 31.821 6.899 42.854 1.00 19.64 H new ATOM 0 HB3 PRO A 76 31.827 8.249 42.075 1.00 19.64 H new ATOM 0 HG2 PRO A 76 34.051 7.100 42.405 1.00 24.68 H new ATOM 0 HG3 PRO A 76 34.022 8.653 42.548 1.00 24.68 H new ATOM 0 HD2 PRO A 76 34.196 6.778 44.628 1.00 21.10 H new ATOM 0 HD3 PRO A 76 34.825 8.205 44.600 1.00 21.10 H new ATOM 520 N GLU A 77 29.365 8.677 44.484 1.00 21.93 N ATOM 521 CA GLU A 77 28.042 8.210 44.833 1.00 21.40 C ATOM 522 C GLU A 77 27.098 8.656 43.732 1.00 21.28 C ATOM 523 O GLU A 77 27.142 9.805 43.297 1.00 21.61 O ATOM 524 CB GLU A 77 27.515 8.766 46.170 1.00 18.71 C ATOM 525 CG GLU A 77 26.048 8.316 46.427 1.00 24.26 C ATOM 526 CD GLU A 77 25.523 8.693 47.811 1.00 27.47 C ATOM 527 OE1 GLU A 77 25.936 8.037 48.787 1.00 25.30 O ATOM 528 OE2 GLU A 77 24.714 9.652 47.914 1.00 27.36 O ATOM 0 H GLU A 77 29.378 9.471 44.155 1.00 21.93 H new ATOM 0 HA GLU A 77 28.090 7.246 44.931 1.00 21.40 H new ATOM 0 HB2 GLU A 77 28.081 8.461 46.896 1.00 18.71 H new ATOM 0 HB3 GLU A 77 27.562 9.735 46.161 1.00 18.71 H new ATOM 0 HG2 GLU A 77 25.474 8.712 45.753 1.00 24.26 H new ATOM 0 HG3 GLU A 77 25.990 7.354 46.319 1.00 24.26 H new ATOM 529 N ILE A 78 26.249 7.744 43.274 1.00 18.85 N ATOM 530 CA ILE A 78 25.262 8.111 42.276 1.00 17.57 C ATOM 531 C ILE A 78 23.892 7.856 42.859 1.00 20.10 C ATOM 532 O ILE A 78 23.660 6.820 43.503 1.00 19.17 O ATOM 533 CB ILE A 78 25.359 7.263 40.977 1.00 16.83 C ATOM 534 CG1 ILE A 78 26.597 7.674 40.165 1.00 17.80 C ATOM 535 CG2 ILE A 78 24.024 7.420 40.149 1.00 17.31 C ATOM 536 CD1 ILE A 78 26.807 6.835 38.869 1.00 22.09 C ATOM 0 H ILE A 78 26.229 6.922 43.524 1.00 18.85 H new ATOM 0 HA ILE A 78 25.420 9.040 42.047 1.00 17.57 H new ATOM 0 HB ILE A 78 25.464 6.325 41.200 1.00 16.83 H new ATOM 0 HG12 ILE A 78 26.519 8.611 39.925 1.00 17.80 H new ATOM 0 HG13 ILE A 78 27.384 7.589 40.726 1.00 17.80 H new ATOM 0 HG21 ILE A 78 24.082 6.892 39.338 1.00 17.31 H new ATOM 0 HG22 ILE A 78 23.274 7.112 40.682 1.00 17.31 H new ATOM 0 HG23 ILE A 78 23.894 8.353 39.918 1.00 17.31 H new ATOM 0 HD11 ILE A 78 27.602 7.146 38.407 1.00 22.09 H new ATOM 0 HD12 ILE A 78 26.914 5.900 39.103 1.00 22.09 H new ATOM 0 HD13 ILE A 78 26.036 6.937 38.289 1.00 22.09 H new ATOM 537 N GLN A 79 23.007 8.836 42.697 1.00 19.26 N ATOM 538 CA GLN A 79 21.625 8.639 43.074 1.00 20.13 C ATOM 539 C GLN A 79 20.908 8.821 41.742 1.00 21.58 C ATOM 540 O GLN A 79 21.214 9.731 40.961 1.00 18.68 O ATOM 541 CB GLN A 79 21.155 9.637 44.118 1.00 18.10 C ATOM 542 CG GLN A 79 21.593 9.216 45.529 1.00 21.72 C ATOM 543 CD GLN A 79 21.089 10.165 46.614 1.00 21.57 C ATOM 544 OE1 GLN A 79 19.912 10.506 46.648 1.00 20.84 O ATOM 545 NE2 GLN A 79 21.991 10.588 47.509 1.00 20.32 N ATOM 0 H GLN A 79 23.190 9.612 42.374 1.00 19.26 H new ATOM 0 HA GLN A 79 21.460 7.781 43.495 1.00 20.13 H new ATOM 0 HB2 GLN A 79 21.514 10.515 43.914 1.00 18.10 H new ATOM 0 HB3 GLN A 79 20.188 9.711 44.086 1.00 18.10 H new ATOM 0 HG2 GLN A 79 21.266 8.321 45.711 1.00 21.72 H new ATOM 0 HG3 GLN A 79 22.562 9.177 45.564 1.00 21.72 H new ATOM 0 HE21 GLN A 79 22.808 10.327 47.452 1.00 20.32 H new ATOM 0 HE22 GLN A 79 21.753 11.121 48.140 1.00 20.32 H new ATOM 546 N LEU A 80 19.948 7.954 41.489 1.00 20.61 N ATOM 547 CA LEU A 80 19.244 7.974 40.219 1.00 22.23 C ATOM 548 C LEU A 80 17.789 7.661 40.495 1.00 22.54 C ATOM 549 O LEU A 80 17.475 6.781 41.312 1.00 23.54 O ATOM 550 CB LEU A 80 19.903 6.894 39.334 1.00 22.68 C ATOM 551 CG LEU A 80 19.528 6.417 37.944 1.00 31.49 C ATOM 552 CD1 LEU A 80 20.795 5.809 37.307 1.00 27.98 C ATOM 553 CD2 LEU A 80 18.378 5.400 38.013 1.00 27.21 C ATOM 0 H LEU A 80 19.687 7.345 42.037 1.00 20.61 H new ATOM 0 HA LEU A 80 19.290 8.832 39.768 1.00 22.23 H new ATOM 0 HB2 LEU A 80 20.829 7.173 39.256 1.00 22.68 H new ATOM 0 HB3 LEU A 80 19.894 6.092 39.879 1.00 22.68 H new ATOM 0 HG LEU A 80 19.210 7.154 37.399 1.00 31.49 H new ATOM 0 HD11 LEU A 80 20.588 5.493 36.413 1.00 27.98 H new ATOM 0 HD12 LEU A 80 21.489 6.485 37.258 1.00 27.98 H new ATOM 0 HD13 LEU A 80 21.105 5.066 37.848 1.00 27.98 H new ATOM 0 HD21 LEU A 80 18.151 5.106 37.117 1.00 27.21 H new ATOM 0 HD22 LEU A 80 18.653 4.636 38.544 1.00 27.21 H new ATOM 0 HD23 LEU A 80 17.603 5.815 38.422 1.00 27.21 H new ATOM 554 N HIS A 81 16.900 8.398 39.844 1.00 21.70 N ATOM 555 CA HIS A 81 15.476 8.164 40.006 1.00 23.47 C ATOM 556 C HIS A 81 14.754 8.362 38.674 1.00 23.83 C ATOM 557 O HIS A 81 14.673 9.483 38.163 1.00 22.22 O ATOM 558 CB HIS A 81 14.877 9.110 41.060 1.00 24.57 C ATOM 559 CG HIS A 81 13.419 8.874 41.322 1.00 26.64 C ATOM 560 ND1 HIS A 81 12.958 8.236 42.453 1.00 29.16 N ATOM 561 CD2 HIS A 81 12.322 9.141 40.571 1.00 29.39 C ATOM 562 CE1 HIS A 81 11.643 8.112 42.386 1.00 28.61 C ATOM 563 NE2 HIS A 81 11.232 8.653 41.251 1.00 28.00 N ATOM 0 H HIS A 81 17.101 9.037 39.305 1.00 21.70 H new ATOM 0 HA HIS A 81 15.356 7.250 40.307 1.00 23.47 H new ATOM 0 HB2 HIS A 81 15.367 9.008 41.891 1.00 24.57 H new ATOM 0 HB3 HIS A 81 15.001 10.027 40.768 1.00 24.57 H new ATOM 0 HD1 HIS A 81 13.450 7.961 43.103 1.00 29.16 H new ATOM 0 HD2 HIS A 81 12.310 9.574 39.748 1.00 29.39 H new ATOM 0 HE1 HIS A 81 11.100 7.713 43.027 1.00 28.61 H new ATOM 564 N ASN A 82 14.253 7.270 38.100 1.00 25.19 N ATOM 565 CA ASN A 82 13.480 7.357 36.861 1.00 27.29 C ATOM 566 C ASN A 82 12.449 6.235 36.789 1.00 30.19 C ATOM 567 O ASN A 82 12.266 5.476 37.753 1.00 32.03 O ATOM 568 CB ASN A 82 14.380 7.377 35.606 1.00 28.85 C ATOM 569 CG ASN A 82 15.072 6.056 35.326 1.00 30.00 C ATOM 570 OD1 ASN A 82 14.663 4.998 35.799 1.00 30.48 O ATOM 571 ND2 ASN A 82 16.116 6.113 34.508 1.00 31.90 N ATOM 0 H ASN A 82 14.348 6.473 38.409 1.00 25.19 H new ATOM 0 HA ASN A 82 13.008 8.204 36.875 1.00 27.29 H new ATOM 0 HB2 ASN A 82 13.842 7.620 34.836 1.00 28.85 H new ATOM 0 HB3 ASN A 82 15.052 8.068 35.712 1.00 28.85 H new ATOM 0 HD21 ASN A 82 16.532 5.392 34.291 1.00 31.90 H new ATOM 0 HD22 ASN A 82 16.376 6.871 34.195 1.00 31.90 H new ATOM 572 N HIS A 83 11.759 6.136 35.663 1.00 32.47 N ATOM 573 CA HIS A 83 10.731 5.115 35.486 1.00 35.56 C ATOM 574 C HIS A 83 11.222 3.672 35.698 1.00 35.06 C ATOM 575 O HIS A 83 10.472 2.826 36.191 1.00 34.91 O ATOM 576 CB HIS A 83 10.114 5.250 34.087 1.00 41.40 C ATOM 577 CG HIS A 83 9.447 6.573 33.846 1.00 46.78 C ATOM 578 ND1 HIS A 83 8.321 6.978 34.531 1.00 48.43 N ATOM 579 CD2 HIS A 83 9.751 7.583 32.993 1.00 49.79 C ATOM 580 CE1 HIS A 83 7.957 8.178 34.110 1.00 50.25 C ATOM 581 NE2 HIS A 83 8.809 8.568 33.177 1.00 50.35 N ATOM 0 H HIS A 83 11.869 6.652 34.984 1.00 32.47 H new ATOM 0 HA HIS A 83 10.071 5.275 36.179 1.00 35.56 H new ATOM 0 HB2 HIS A 83 10.809 5.121 33.422 1.00 41.40 H new ATOM 0 HB3 HIS A 83 9.464 4.541 33.959 1.00 41.40 H new ATOM 0 HD1 HIS A 83 7.918 6.521 35.138 1.00 48.43 H new ATOM 0 HD2 HIS A 83 10.463 7.605 32.395 1.00 49.79 H new ATOM 0 HE1 HIS A 83 7.226 8.664 34.418 1.00 50.25 H new ATOM 582 N TRP A 84 12.474 3.399 35.341 1.00 32.00 N ATOM 583 CA TRP A 84 13.038 2.053 35.464 1.00 31.84 C ATOM 584 C TRP A 84 13.823 1.756 36.732 1.00 30.15 C ATOM 585 O TRP A 84 13.893 0.611 37.171 1.00 28.61 O ATOM 586 CB TRP A 84 13.964 1.764 34.282 1.00 35.11 C ATOM 587 CG TRP A 84 13.286 1.873 32.969 1.00 42.59 C ATOM 588 CD1 TRP A 84 12.611 0.887 32.303 1.00 44.20 C ATOM 589 CD2 TRP A 84 13.186 3.049 32.160 1.00 44.20 C ATOM 590 NE1 TRP A 84 12.101 1.382 31.123 1.00 45.35 N ATOM 591 CE2 TRP A 84 12.439 2.705 31.011 1.00 45.69 C ATOM 592 CE3 TRP A 84 13.657 4.363 32.295 1.00 45.78 C ATOM 593 CZ2 TRP A 84 12.149 3.629 29.997 1.00 47.74 C ATOM 594 CZ3 TRP A 84 13.368 5.288 31.286 1.00 47.13 C ATOM 595 CH2 TRP A 84 12.621 4.911 30.152 1.00 48.29 C ATOM 0 H TRP A 84 13.019 3.983 35.022 1.00 32.00 H new ATOM 0 HA TRP A 84 12.253 1.483 35.489 1.00 31.84 H new ATOM 0 HB2 TRP A 84 14.711 2.382 34.306 1.00 35.11 H new ATOM 0 HB3 TRP A 84 14.331 0.871 34.377 1.00 35.11 H new ATOM 0 HD1 TRP A 84 12.511 0.012 32.602 1.00 44.20 H new ATOM 0 HE1 TRP A 84 11.644 0.933 30.549 1.00 45.35 H new ATOM 0 HE3 TRP A 84 14.152 4.615 33.041 1.00 45.78 H new ATOM 0 HZ2 TRP A 84 11.656 3.384 29.248 1.00 47.74 H new ATOM 0 HZ3 TRP A 84 13.673 6.163 31.365 1.00 47.13 H new ATOM 0 HH2 TRP A 84 12.443 5.544 29.494 1.00 48.29 H new ATOM 596 N ALA A 85 14.445 2.763 37.317 1.00 26.66 N ATOM 597 CA ALA A 85 15.237 2.474 38.503 1.00 26.05 C ATOM 598 C ALA A 85 15.286 3.614 39.514 1.00 23.68 C ATOM 599 O ALA A 85 15.089 4.789 39.171 1.00 22.98 O ATOM 600 CB ALA A 85 16.656 2.079 38.068 1.00 23.82 C ATOM 0 H ALA A 85 14.427 3.584 37.062 1.00 26.66 H new ATOM 0 HA ALA A 85 14.800 1.742 38.965 1.00 26.05 H new ATOM 0 HB1 ALA A 85 17.193 1.884 38.852 1.00 23.82 H new ATOM 0 HB2 ALA A 85 16.614 1.292 37.502 1.00 23.82 H new ATOM 0 HB3 ALA A 85 17.059 2.811 37.575 1.00 23.82 H new ATOM 601 N GLN A 86 15.528 3.244 40.767 1.00 24.80 N ATOM 602 CA GLN A 86 15.631 4.204 41.865 1.00 25.23 C ATOM 603 C GLN A 86 16.731 3.645 42.747 1.00 25.13 C ATOM 604 O GLN A 86 16.586 2.576 43.342 1.00 24.99 O ATOM 605 CB GLN A 86 14.300 4.301 42.604 1.00 28.84 C ATOM 606 CG GLN A 86 13.087 4.615 41.684 1.00 31.54 C ATOM 607 CD GLN A 86 12.485 3.350 41.076 1.00 33.95 C ATOM 608 OE1 GLN A 86 12.307 2.353 41.778 1.00 34.80 O ATOM 609 NE2 GLN A 86 12.155 3.391 39.778 1.00 29.77 N ATOM 0 H GLN A 86 15.638 2.426 41.007 1.00 24.80 H new ATOM 0 HA GLN A 86 15.835 5.105 41.570 1.00 25.23 H new ATOM 0 HB2 GLN A 86 14.136 3.464 43.066 1.00 28.84 H new ATOM 0 HB3 GLN A 86 14.367 4.991 43.282 1.00 28.84 H new ATOM 0 HG2 GLN A 86 12.407 5.082 42.195 1.00 31.54 H new ATOM 0 HG3 GLN A 86 13.368 5.212 40.973 1.00 31.54 H new ATOM 0 HE21 GLN A 86 12.295 4.106 39.321 1.00 29.77 H new ATOM 0 HE22 GLN A 86 11.803 2.702 39.402 1.00 29.77 H new ATOM 610 N LEU A 87 17.855 4.347 42.816 1.00 23.24 N ATOM 611 CA LEU A 87 18.965 3.809 43.568 1.00 22.47 C ATOM 612 C LEU A 87 19.924 4.828 44.160 1.00 22.62 C ATOM 613 O LEU A 87 19.980 5.998 43.729 1.00 20.23 O ATOM 614 CB LEU A 87 19.738 2.838 42.661 1.00 24.73 C ATOM 615 CG LEU A 87 20.260 3.349 41.318 1.00 24.28 C ATOM 616 CD1 LEU A 87 21.666 3.928 41.575 1.00 26.26 C ATOM 617 CD2 LEU A 87 20.312 2.229 40.243 1.00 21.59 C ATOM 0 H LEU A 87 17.989 5.112 42.446 1.00 23.24 H new ATOM 0 HA LEU A 87 18.574 3.369 44.339 1.00 22.47 H new ATOM 0 HB2 LEU A 87 20.497 2.506 43.165 1.00 24.73 H new ATOM 0 HB3 LEU A 87 19.161 2.079 42.483 1.00 24.73 H new ATOM 0 HG LEU A 87 19.660 4.025 40.967 1.00 24.28 H new ATOM 0 HD11 LEU A 87 22.034 4.265 40.743 1.00 26.26 H new ATOM 0 HD12 LEU A 87 21.606 4.652 42.218 1.00 26.26 H new ATOM 0 HD13 LEU A 87 22.244 3.232 41.926 1.00 26.26 H new ATOM 0 HD21 LEU A 87 20.648 2.595 39.410 1.00 21.59 H new ATOM 0 HD22 LEU A 87 20.900 1.519 40.544 1.00 21.59 H new ATOM 0 HD23 LEU A 87 19.421 1.873 40.103 1.00 21.59 H new ATOM 618 N THR A 88 20.665 4.352 45.156 1.00 19.23 N ATOM 619 CA THR A 88 21.689 5.132 45.859 1.00 20.77 C ATOM 620 C THR A 88 22.864 4.162 45.944 1.00 20.16 C ATOM 621 O THR A 88 22.820 3.162 46.670 1.00 18.25 O ATOM 622 CB THR A 88 21.219 5.548 47.270 1.00 19.82 C ATOM 623 OG1 THR A 88 19.999 6.284 47.157 1.00 21.12 O ATOM 624 CG2 THR A 88 22.280 6.436 47.952 1.00 16.72 C ATOM 0 H THR A 88 20.587 3.548 45.451 1.00 19.23 H new ATOM 0 HA THR A 88 21.904 5.962 45.406 1.00 20.77 H new ATOM 0 HB THR A 88 21.084 4.750 47.805 1.00 19.82 H new ATOM 0 HG1 THR A 88 19.737 6.512 47.922 1.00 21.12 H new ATOM 0 HG21 THR A 88 21.971 6.689 48.836 1.00 16.72 H new ATOM 0 HG22 THR A 88 23.113 5.944 48.029 1.00 16.72 H new ATOM 0 HG23 THR A 88 22.425 7.234 47.420 1.00 16.72 H new ATOM 625 N VAL A 89 23.912 4.449 45.188 1.00 20.78 N ATOM 626 CA VAL A 89 25.058 3.551 45.130 1.00 21.12 C ATOM 627 C VAL A 89 26.422 4.208 45.208 1.00 20.67 C ATOM 628 O VAL A 89 26.703 5.162 44.479 1.00 20.24 O ATOM 629 CB VAL A 89 25.014 2.731 43.810 1.00 22.38 C ATOM 630 CG1 VAL A 89 26.216 1.798 43.731 1.00 22.28 C ATOM 631 CG2 VAL A 89 23.686 1.962 43.718 1.00 20.82 C ATOM 0 H VAL A 89 23.982 5.155 44.702 1.00 20.78 H new ATOM 0 HA VAL A 89 24.969 3.003 45.925 1.00 21.12 H new ATOM 0 HB VAL A 89 25.062 3.333 43.051 1.00 22.38 H new ATOM 0 HG11 VAL A 89 26.179 1.292 42.905 1.00 22.28 H new ATOM 0 HG12 VAL A 89 27.033 2.320 43.753 1.00 22.28 H new ATOM 0 HG13 VAL A 89 26.202 1.188 44.485 1.00 22.28 H new ATOM 0 HG21 VAL A 89 23.664 1.452 42.893 1.00 20.82 H new ATOM 0 HG22 VAL A 89 23.609 1.358 44.473 1.00 20.82 H new ATOM 0 HG23 VAL A 89 22.947 2.590 43.730 1.00 20.82 H new ATOM 632 N GLY A 90 27.273 3.692 46.094 1.00 18.31 N ATOM 633 CA GLY A 90 28.636 4.208 46.231 1.00 17.32 C ATOM 634 C GLY A 90 29.609 3.244 45.565 1.00 19.10 C ATOM 635 O GLY A 90 29.351 2.043 45.545 1.00 18.12 O ATOM 0 H GLY A 90 27.082 3.043 46.625 1.00 18.31 H new ATOM 0 HA2 GLY A 90 28.703 5.085 45.823 1.00 17.32 H new ATOM 0 HA3 GLY A 90 28.860 4.314 47.169 1.00 17.32 H new ATOM 636 N ALA A 91 30.709 3.752 45.005 1.00 21.48 N ATOM 637 CA ALA A 91 31.683 2.913 44.305 1.00 22.59 C ATOM 638 C ALA A 91 32.990 3.652 44.018 1.00 26.18 C ATOM 639 O ALA A 91 33.069 4.874 44.126 1.00 27.81 O ATOM 640 CB ALA A 91 31.082 2.418 42.982 1.00 23.21 C ATOM 0 H ALA A 91 30.910 4.588 45.020 1.00 21.48 H new ATOM 0 HA ALA A 91 31.889 2.165 44.887 1.00 22.59 H new ATOM 0 HB1 ALA A 91 31.729 1.862 42.520 1.00 23.21 H new ATOM 0 HB2 ALA A 91 30.282 1.900 43.163 1.00 23.21 H new ATOM 0 HB3 ALA A 91 30.854 3.179 42.425 1.00 23.21 H new ATOM 641 N GLY A 92 34.022 2.903 43.660 1.00 28.83 N ATOM 642 CA GLY A 92 35.290 3.516 43.327 1.00 28.14 C ATOM 643 C GLY A 92 36.141 3.885 44.521 1.00 30.71 C ATOM 644 O GLY A 92 35.688 3.793 45.670 1.00 30.55 O ATOM 0 H GLY A 92 34.007 2.045 43.605 1.00 28.83 H new ATOM 0 HA2 GLY A 92 35.792 2.908 42.762 1.00 28.14 H new ATOM 0 HA3 GLY A 92 35.122 4.316 42.804 1.00 28.14 H new ATOM 645 N PRO A 93 37.387 4.330 44.278 1.00 29.12 N ATOM 646 CA PRO A 93 38.316 4.718 45.339 1.00 29.09 C ATOM 647 C PRO A 93 37.964 6.105 45.843 1.00 28.54 C ATOM 648 O PRO A 93 37.129 6.799 45.248 1.00 26.19 O ATOM 649 CB PRO A 93 39.658 4.710 44.617 1.00 30.18 C ATOM 650 CG PRO A 93 39.286 5.299 43.297 1.00 30.39 C ATOM 651 CD PRO A 93 37.982 4.580 42.951 1.00 29.81 C ATOM 0 HA PRO A 93 38.304 4.140 46.118 1.00 29.09 H new ATOM 0 HB2 PRO A 93 40.325 5.241 45.079 1.00 30.18 H new ATOM 0 HB3 PRO A 93 40.020 3.814 44.529 1.00 30.18 H new ATOM 0 HG2 PRO A 93 39.162 6.259 43.355 1.00 30.39 H new ATOM 0 HG3 PRO A 93 39.971 5.142 42.628 1.00 30.39 H new ATOM 0 HD2 PRO A 93 37.405 5.127 42.395 1.00 29.81 H new ATOM 0 HD3 PRO A 93 38.143 3.755 42.467 1.00 29.81 H new ATOM 652 N ARG A 94 38.580 6.508 46.950 1.00 27.72 N ATOM 653 CA ARG A 94 38.356 7.855 47.465 1.00 26.80 C ATOM 654 C ARG A 94 38.970 8.817 46.441 1.00 27.11 C ATOM 655 O ARG A 94 39.984 8.509 45.829 1.00 27.54 O ATOM 656 CB ARG A 94 39.052 8.054 48.822 1.00 27.48 C ATOM 657 CG ARG A 94 38.408 7.273 49.967 1.00 29.06 C ATOM 658 CD ARG A 94 38.994 7.707 51.315 1.00 30.10 C ATOM 659 NE ARG A 94 38.511 9.026 51.713 1.00 25.47 N ATOM 660 CZ ARG A 94 37.607 9.232 52.659 1.00 28.86 C ATOM 661 NH1 ARG A 94 37.089 8.204 53.319 1.00 29.66 N ATOM 662 NH2 ARG A 94 37.202 10.465 52.938 1.00 31.53 N ATOM 0 H ARG A 94 39.123 6.026 47.411 1.00 27.72 H new ATOM 0 HA ARG A 94 37.408 8.012 47.595 1.00 26.80 H new ATOM 0 HB2 ARG A 94 39.981 7.786 48.742 1.00 27.48 H new ATOM 0 HB3 ARG A 94 39.047 8.998 49.043 1.00 27.48 H new ATOM 0 HG2 ARG A 94 37.449 7.418 49.964 1.00 29.06 H new ATOM 0 HG3 ARG A 94 38.552 6.322 49.837 1.00 29.06 H new ATOM 0 HD2 ARG A 94 38.758 7.057 51.995 1.00 30.10 H new ATOM 0 HD3 ARG A 94 39.962 7.720 51.258 1.00 30.10 H new ATOM 0 HE ARG A 94 38.834 9.712 51.308 1.00 25.47 H new ATOM 0 HH11 ARG A 94 37.340 7.403 53.133 1.00 29.66 H new ATOM 0 HH12 ARG A 94 36.502 8.339 53.933 1.00 29.66 H new ATOM 0 HH21 ARG A 94 37.527 11.133 52.504 1.00 31.53 H new ATOM 0 HH22 ARG A 94 36.615 10.596 53.553 1.00 31.53 H new ATOM 663 N LEU A 95 38.356 9.969 46.250 1.00 27.30 N ATOM 664 CA LEU A 95 38.893 10.943 45.302 1.00 30.23 C ATOM 665 C LEU A 95 39.251 12.240 46.020 1.00 30.80 C ATOM 666 O LEU A 95 39.687 13.200 45.383 1.00 31.82 O ATOM 667 CB LEU A 95 37.865 11.236 44.190 1.00 29.15 C ATOM 668 CG LEU A 95 37.408 10.024 43.370 1.00 29.18 C ATOM 669 CD1 LEU A 95 36.587 10.517 42.178 1.00 33.57 C ATOM 670 CD2 LEU A 95 38.625 9.218 42.891 1.00 29.65 C ATOM 0 H LEU A 95 37.635 10.211 46.651 1.00 27.30 H new ATOM 0 HA LEU A 95 39.694 10.568 44.903 1.00 30.23 H new ATOM 0 HB2 LEU A 95 37.084 11.645 44.594 1.00 29.15 H new ATOM 0 HB3 LEU A 95 38.246 11.890 43.584 1.00 29.15 H new ATOM 0 HG LEU A 95 36.861 9.442 43.920 1.00 29.18 H new ATOM 0 HD11 LEU A 95 36.292 9.757 41.652 1.00 33.57 H new ATOM 0 HD12 LEU A 95 35.814 11.008 42.498 1.00 33.57 H new ATOM 0 HD13 LEU A 95 37.133 11.099 41.627 1.00 33.57 H new ATOM 0 HD21 LEU A 95 38.324 8.454 42.374 1.00 29.65 H new ATOM 0 HD22 LEU A 95 39.189 9.781 42.338 1.00 29.65 H new ATOM 0 HD23 LEU A 95 39.131 8.909 43.659 1.00 29.65 H new ATOM 671 N ASP A 96 39.066 12.264 47.342 1.00 30.90 N ATOM 672 CA ASP A 96 39.350 13.461 48.132 1.00 31.01 C ATOM 673 C ASP A 96 40.760 13.471 48.697 1.00 31.40 C ATOM 674 O ASP A 96 40.963 13.751 49.874 1.00 32.61 O ATOM 675 CB ASP A 96 38.331 13.618 49.268 1.00 29.04 C ATOM 676 CG ASP A 96 38.397 12.495 50.300 1.00 28.04 C ATOM 677 OD1 ASP A 96 39.022 11.449 50.043 1.00 26.59 O ATOM 678 OD2 ASP A 96 37.789 12.667 51.375 1.00 30.34 O ATOM 0 H ASP A 96 38.776 11.596 47.799 1.00 30.90 H new ATOM 0 HA ASP A 96 39.276 14.214 47.525 1.00 31.01 H new ATOM 0 HB2 ASP A 96 38.481 14.467 49.713 1.00 29.04 H new ATOM 0 HB3 ASP A 96 37.438 13.650 48.891 1.00 29.04 H new ATOM 679 N ASP A 97 41.713 13.163 47.828 1.00 33.16 N ATOM 680 CA ASP A 97 43.127 13.107 48.160 1.00 35.36 C ATOM 681 C ASP A 97 43.901 14.268 47.566 1.00 35.96 C ATOM 682 O ASP A 97 45.125 14.213 47.467 1.00 37.70 O ATOM 683 CB ASP A 97 43.733 11.794 47.653 1.00 35.92 C ATOM 684 CG ASP A 97 43.595 11.621 46.151 1.00 38.23 C ATOM 685 OD1 ASP A 97 42.939 12.456 45.477 1.00 37.31 O ATOM 686 OD2 ASP A 97 44.147 10.628 45.637 1.00 38.45 O ATOM 0 H ASP A 97 41.549 12.975 47.005 1.00 33.16 H new ATOM 0 HA ASP A 97 43.195 13.161 49.126 1.00 35.36 H new ATOM 0 HB2 ASP A 97 44.672 11.763 47.893 1.00 35.92 H new ATOM 0 HB3 ASP A 97 43.301 11.050 48.101 1.00 35.92 H new ATOM 687 N GLY A 98 43.191 15.308 47.155 1.00 36.45 N ATOM 688 CA GLY A 98 43.855 16.464 46.584 1.00 38.98 C ATOM 689 C GLY A 98 44.546 16.288 45.239 1.00 38.79 C ATOM 690 O GLY A 98 45.258 17.185 44.796 1.00 39.10 O ATOM 0 H GLY A 98 42.334 15.363 47.197 1.00 36.45 H new ATOM 0 HA2 GLY A 98 43.197 17.171 46.492 1.00 38.98 H new ATOM 0 HA3 GLY A 98 44.517 16.774 47.222 1.00 38.98 H new ATOM 691 N ARG A 99 44.360 15.149 44.585 1.00 40.12 N ATOM 692 CA ARG A 99 44.969 14.930 43.273 1.00 40.89 C ATOM 693 C ARG A 99 43.918 15.077 42.170 1.00 40.71 C ATOM 694 O ARG A 99 42.719 14.942 42.421 1.00 39.92 O ATOM 695 CB ARG A 99 45.566 13.526 43.170 1.00 43.95 C ATOM 696 CG ARG A 99 46.712 13.224 44.119 1.00 48.10 C ATOM 697 CD ARG A 99 47.217 11.811 43.845 1.00 52.54 C ATOM 698 NE ARG A 99 46.106 10.863 43.709 1.00 55.26 N ATOM 699 CZ ARG A 99 46.248 9.576 43.399 1.00 57.32 C ATOM 700 NH1 ARG A 99 47.460 9.071 43.187 1.00 58.94 N ATOM 701 NH2 ARG A 99 45.181 8.789 43.305 1.00 56.18 N ATOM 0 H ARG A 99 43.888 14.492 44.878 1.00 40.12 H new ATOM 0 HA ARG A 99 45.670 15.592 43.166 1.00 40.89 H new ATOM 0 HB2 ARG A 99 44.860 12.880 43.327 1.00 43.95 H new ATOM 0 HB3 ARG A 99 45.877 13.391 42.261 1.00 43.95 H new ATOM 0 HG2 ARG A 99 47.428 13.866 43.996 1.00 48.10 H new ATOM 0 HG3 ARG A 99 46.416 13.302 45.039 1.00 48.10 H new ATOM 0 HD2 ARG A 99 47.749 11.807 43.034 1.00 52.54 H new ATOM 0 HD3 ARG A 99 47.799 11.528 44.567 1.00 52.54 H new ATOM 0 HE ARG A 99 45.309 11.159 43.838 1.00 55.26 H new ATOM 0 HH11 ARG A 99 48.153 9.576 43.250 1.00 58.94 H new ATOM 0 HH12 ARG A 99 47.550 8.240 42.987 1.00 58.94 H new ATOM 0 HH21 ARG A 99 44.396 9.111 43.445 1.00 56.18 H new ATOM 0 HH22 ARG A 99 45.276 7.958 43.105 1.00 56.18 H new ATOM 702 N TRP A 100 44.372 15.358 40.950 1.00 39.26 N ATOM 703 CA TRP A 100 43.463 15.479 39.818 1.00 37.62 C ATOM 704 C TRP A 100 42.970 14.095 39.436 1.00 36.28 C ATOM 705 O TRP A 100 43.758 13.147 39.328 1.00 35.33 O ATOM 706 CB TRP A 100 44.163 16.116 38.610 1.00 39.61 C ATOM 707 CG TRP A 100 44.191 17.619 38.680 1.00 39.87 C ATOM 708 CD1 TRP A 100 45.288 18.421 38.862 1.00 40.26 C ATOM 709 CD2 TRP A 100 43.058 18.496 38.611 1.00 39.92 C ATOM 710 NE1 TRP A 100 44.903 19.742 38.913 1.00 40.17 N ATOM 711 CE2 TRP A 100 43.542 19.817 38.761 1.00 40.21 C ATOM 712 CE3 TRP A 100 41.677 18.293 38.435 1.00 38.23 C ATOM 713 CZ2 TRP A 100 42.694 20.933 38.740 1.00 39.09 C ATOM 714 CZ3 TRP A 100 40.837 19.398 38.414 1.00 38.02 C ATOM 715 CH2 TRP A 100 41.348 20.705 38.565 1.00 40.08 C ATOM 0 H TRP A 100 45.201 15.482 40.759 1.00 39.26 H new ATOM 0 HA TRP A 100 42.721 16.048 40.075 1.00 37.62 H new ATOM 0 HB2 TRP A 100 45.072 15.782 38.554 1.00 39.61 H new ATOM 0 HB3 TRP A 100 43.710 15.842 37.797 1.00 39.61 H new ATOM 0 HD1 TRP A 100 46.164 18.117 38.940 1.00 40.26 H new ATOM 0 HE1 TRP A 100 45.431 20.412 39.023 1.00 40.17 H new ATOM 0 HE3 TRP A 100 41.333 17.435 38.335 1.00 38.23 H new ATOM 0 HZ2 TRP A 100 43.028 21.795 38.841 1.00 39.09 H new ATOM 0 HZ3 TRP A 100 39.922 19.275 38.299 1.00 38.02 H new ATOM 0 HH2 TRP A 100 40.763 21.428 38.546 1.00 40.08 H new ATOM 716 N HIS A 101 41.663 13.961 39.253 1.00 32.23 N ATOM 717 CA HIS A 101 41.121 12.674 38.860 1.00 31.33 C ATOM 718 C HIS A 101 40.269 12.786 37.609 1.00 30.03 C ATOM 719 O HIS A 101 39.424 13.658 37.513 1.00 31.57 O ATOM 720 CB HIS A 101 40.281 12.079 39.995 1.00 30.57 C ATOM 721 CG HIS A 101 41.081 11.695 41.196 1.00 29.55 C ATOM 722 ND1 HIS A 101 41.944 10.620 41.203 1.00 30.82 N ATOM 723 CD2 HIS A 101 41.147 12.242 42.434 1.00 30.40 C ATOM 724 CE1 HIS A 101 42.504 10.520 42.397 1.00 29.44 C ATOM 725 NE2 HIS A 101 42.037 11.491 43.161 1.00 28.69 N ATOM 0 H HIS A 101 41.085 14.590 39.349 1.00 32.23 H new ATOM 0 HA HIS A 101 41.872 12.090 38.669 1.00 31.33 H new ATOM 0 HB2 HIS A 101 39.605 12.723 40.259 1.00 30.57 H new ATOM 0 HB3 HIS A 101 39.813 11.296 39.664 1.00 30.57 H new ATOM 0 HD1 HIS A 101 42.094 10.097 40.537 1.00 30.82 H new ATOM 0 HD2 HIS A 101 40.678 12.986 42.735 1.00 30.40 H new ATOM 0 HE1 HIS A 101 43.122 9.875 42.655 1.00 29.44 H new ATOM 0 HE2 HIS A 101 42.255 11.630 43.981 1.00 28.69 H new ATOM 726 N GLN A 102 40.505 11.899 36.653 1.00 31.06 N ATOM 727 CA GLN A 102 39.727 11.882 35.427 1.00 32.04 C ATOM 728 C GLN A 102 38.430 11.109 35.698 1.00 31.59 C ATOM 729 O GLN A 102 38.472 10.000 36.230 1.00 29.14 O ATOM 730 CB GLN A 102 40.499 11.176 34.308 1.00 35.13 C ATOM 731 CG GLN A 102 39.713 11.087 33.006 1.00 41.61 C ATOM 732 CD GLN A 102 40.311 10.109 31.998 1.00 47.04 C ATOM 733 OE1 GLN A 102 41.441 9.482 32.356 1.00 49.55 O flip ATOM 734 NE2 GLN A 102 39.760 9.915 30.913 1.00 51.09 N flip ATOM 0 H GLN A 102 41.116 11.295 36.696 1.00 31.06 H new ATOM 0 HA GLN A 102 39.541 12.793 35.149 1.00 32.04 H new ATOM 0 HB2 GLN A 102 41.330 11.650 34.146 1.00 35.13 H new ATOM 0 HB3 GLN A 102 40.735 10.281 34.599 1.00 35.13 H new ATOM 0 HG2 GLN A 102 38.802 10.819 33.204 1.00 41.61 H new ATOM 0 HG3 GLN A 102 39.668 11.968 32.603 1.00 41.61 H new ATOM 0 HE21 GLN A 102 39.036 10.335 30.717 1.00 51.09 H new ATOM 0 HE22 GLN A 102 40.100 9.359 30.352 1.00 51.09 H new ATOM 735 N VAL A 103 37.291 11.701 35.341 1.00 29.02 N ATOM 736 CA VAL A 103 35.990 11.057 35.525 1.00 27.11 C ATOM 737 C VAL A 103 35.146 11.061 34.250 1.00 29.24 C ATOM 738 O VAL A 103 35.040 12.084 33.537 1.00 30.44 O ATOM 739 CB VAL A 103 35.172 11.743 36.640 1.00 27.17 C ATOM 740 CG1 VAL A 103 33.813 11.035 36.825 1.00 26.96 C ATOM 741 CG2 VAL A 103 35.966 11.765 37.927 1.00 23.47 C ATOM 0 H VAL A 103 37.250 12.484 34.987 1.00 29.02 H new ATOM 0 HA VAL A 103 36.189 10.140 35.770 1.00 27.11 H new ATOM 0 HB VAL A 103 34.992 12.661 36.383 1.00 27.17 H new ATOM 0 HG11 VAL A 103 33.311 11.476 37.528 1.00 26.96 H new ATOM 0 HG12 VAL A 103 33.311 11.075 35.996 1.00 26.96 H new ATOM 0 HG13 VAL A 103 33.961 10.108 37.068 1.00 26.96 H new ATOM 0 HG21 VAL A 103 35.445 12.197 38.622 1.00 23.47 H new ATOM 0 HG22 VAL A 103 36.172 10.856 38.196 1.00 23.47 H new ATOM 0 HG23 VAL A 103 36.791 12.256 37.790 1.00 23.47 H new ATOM 742 N GLU A 104 34.556 9.906 33.963 1.00 27.89 N ATOM 743 CA GLU A 104 33.684 9.729 32.812 1.00 28.11 C ATOM 744 C GLU A 104 32.355 9.061 33.196 1.00 28.31 C ATOM 745 O GLU A 104 32.333 8.074 33.960 1.00 24.20 O ATOM 746 CB GLU A 104 34.360 8.862 31.753 1.00 32.67 C ATOM 747 CG GLU A 104 35.501 9.497 31.021 1.00 42.06 C ATOM 748 CD GLU A 104 35.662 8.907 29.629 1.00 48.48 C ATOM 749 OE1 GLU A 104 34.862 9.263 28.729 1.00 52.28 O ATOM 750 OE2 GLU A 104 36.573 8.072 29.440 1.00 51.97 O ATOM 0 H GLU A 104 34.653 9.195 34.438 1.00 27.89 H new ATOM 0 HA GLU A 104 33.506 10.616 32.462 1.00 28.11 H new ATOM 0 HB2 GLU A 104 34.682 8.053 32.180 1.00 32.67 H new ATOM 0 HB3 GLU A 104 33.691 8.594 31.104 1.00 32.67 H new ATOM 0 HG2 GLU A 104 35.353 10.453 30.954 1.00 42.06 H new ATOM 0 HG3 GLU A 104 36.321 9.372 31.524 1.00 42.06 H new ATOM 751 N VAL A 105 31.254 9.623 32.698 1.00 26.36 N ATOM 752 CA VAL A 105 29.928 9.070 32.923 1.00 25.44 C ATOM 753 C VAL A 105 29.300 8.893 31.553 1.00 29.91 C ATOM 754 O VAL A 105 29.192 9.848 30.759 1.00 28.96 O ATOM 755 CB VAL A 105 29.040 9.984 33.779 1.00 26.19 C ATOM 756 CG1 VAL A 105 27.691 9.293 34.017 1.00 26.81 C ATOM 757 CG2 VAL A 105 29.729 10.258 35.133 1.00 23.60 C ATOM 0 H VAL A 105 31.259 10.338 32.219 1.00 26.36 H new ATOM 0 HA VAL A 105 30.006 8.234 33.409 1.00 25.44 H new ATOM 0 HB VAL A 105 28.899 10.826 33.319 1.00 26.19 H new ATOM 0 HG11 VAL A 105 27.125 9.866 34.558 1.00 26.81 H new ATOM 0 HG12 VAL A 105 27.259 9.123 33.165 1.00 26.81 H new ATOM 0 HG13 VAL A 105 27.835 8.452 34.479 1.00 26.81 H new ATOM 0 HG21 VAL A 105 29.166 10.836 35.672 1.00 23.60 H new ATOM 0 HG22 VAL A 105 29.871 9.419 35.599 1.00 23.60 H new ATOM 0 HG23 VAL A 105 30.583 10.691 34.980 1.00 23.60 H new ATOM 758 N LYS A 106 28.876 7.676 31.260 1.00 29.67 N ATOM 759 CA LYS A 106 28.331 7.442 29.947 1.00 33.64 C ATOM 760 C LYS A 106 27.237 6.404 29.906 1.00 33.35 C ATOM 761 O LYS A 106 27.069 5.608 30.834 1.00 30.06 O ATOM 762 CB LYS A 106 29.466 7.014 29.013 1.00 34.22 C ATOM 763 CG LYS A 106 30.254 5.840 29.572 1.00 40.45 C ATOM 764 CD LYS A 106 31.376 5.333 28.661 1.00 45.38 C ATOM 765 CE LYS A 106 32.611 6.216 28.674 1.00 47.62 C ATOM 766 NZ LYS A 106 32.413 7.519 27.960 1.00 53.42 N ATOM 0 H LYS A 106 28.894 6.997 31.788 1.00 29.67 H new ATOM 0 HA LYS A 106 27.923 8.275 29.663 1.00 33.64 H new ATOM 0 HB2 LYS A 106 29.098 6.773 28.148 1.00 34.22 H new ATOM 0 HB3 LYS A 106 30.064 7.764 28.868 1.00 34.22 H new ATOM 0 HG2 LYS A 106 30.638 6.100 30.424 1.00 40.45 H new ATOM 0 HG3 LYS A 106 29.641 5.109 29.748 1.00 40.45 H new ATOM 0 HD2 LYS A 106 31.625 4.436 28.935 1.00 45.38 H new ATOM 0 HD3 LYS A 106 31.042 5.270 27.753 1.00 45.38 H new ATOM 0 HE2 LYS A 106 32.865 6.393 29.593 1.00 47.62 H new ATOM 0 HE3 LYS A 106 33.348 5.737 28.263 1.00 47.62 H new ATOM 0 HZ1 LYS A 106 33.161 7.739 27.531 1.00 53.42 H new ATOM 0 HZ2 LYS A 106 31.748 7.439 27.374 1.00 53.42 H new ATOM 0 HZ3 LYS A 106 32.212 8.154 28.551 1.00 53.42 H new ATOM 767 N AMET A 107 26.494 6.426 28.809 0.50 33.28 N ATOM 768 N BMET A 107 26.466 6.430 28.825 0.50 33.67 N ATOM 769 CA AMET A 107 25.428 5.475 28.587 0.50 34.54 C ATOM 770 CA BMET A 107 25.400 5.464 28.629 0.50 35.24 C ATOM 771 C AMET A 107 26.000 4.383 27.705 0.50 35.36 C ATOM 772 C BMET A 107 25.946 4.395 27.697 0.50 35.80 C ATOM 773 O AMET A 107 26.736 4.657 26.760 0.50 36.41 O ATOM 774 O BMET A 107 26.602 4.700 26.704 0.50 36.99 O ATOM 775 CB AMET A 107 24.257 6.146 27.875 0.50 36.61 C ATOM 776 CB BMET A 107 24.166 6.123 28.010 0.50 37.99 C ATOM 777 CG AMET A 107 23.538 7.166 28.725 0.50 36.38 C ATOM 778 CG BMET A 107 23.427 7.042 28.962 0.50 39.25 C ATOM 779 SD AMET A 107 22.987 6.430 30.280 0.50 39.03 S ATOM 780 SD BMET A 107 21.766 7.487 28.401 0.50 42.71 S ATOM 781 CE AMET A 107 22.029 5.021 29.661 0.50 37.10 C ATOM 782 CE BMET A 107 20.889 5.990 28.716 0.50 40.88 C ATOM 0 H AMET A 107 26.597 6.996 28.173 0.50 33.67 H new ATOM 0 H BMET A 107 26.547 7.005 28.190 0.50 33.67 H new ATOM 0 HA AMET A 107 25.101 5.120 29.429 0.50 35.24 H new ATOM 0 HA BMET A 107 25.124 5.086 29.479 0.50 35.24 H new ATOM 0 HB2AMET A 107 24.582 6.578 27.070 0.50 37.99 H new ATOM 0 HB2BMET A 107 24.437 6.630 27.228 0.50 37.99 H new ATOM 0 HB3AMET A 107 23.625 5.465 27.596 0.50 37.99 H new ATOM 0 HB3BMET A 107 23.559 5.431 27.703 0.50 37.99 H new ATOM 0 HG2AMET A 107 24.127 7.915 28.907 0.50 39.25 H new ATOM 0 HG2BMET A 107 23.362 6.612 29.829 0.50 39.25 H new ATOM 0 HG3AMET A 107 22.775 7.517 28.240 0.50 39.25 H new ATOM 0 HG3BMET A 107 23.946 7.852 29.085 0.50 39.25 H new ATOM 0 HE1AMET A 107 21.562 4.598 30.398 0.50 40.88 H new ATOM 0 HE1BMET A 107 20.015 6.198 29.083 0.50 40.88 H new ATOM 0 HE2AMET A 107 21.385 5.331 29.005 0.50 40.88 H new ATOM 0 HE2BMET A 107 20.782 5.497 27.888 0.50 40.88 H new ATOM 0 HE3AMET A 107 22.627 4.379 29.247 0.50 40.88 H new ATOM 0 HE3BMET A 107 21.386 5.451 29.351 0.50 40.88 H new ATOM 783 N GLU A 108 25.684 3.140 28.030 1.00 34.54 N ATOM 784 CA GLU A 108 26.151 2.017 27.243 1.00 34.35 C ATOM 785 C GLU A 108 24.911 1.120 27.212 1.00 31.90 C ATOM 786 O GLU A 108 24.638 0.390 28.158 1.00 31.89 O ATOM 787 CB GLU A 108 27.335 1.360 27.984 1.00 36.17 C ATOM 788 CG GLU A 108 28.070 0.253 27.257 1.00 43.36 C ATOM 789 CD GLU A 108 28.685 0.706 25.948 1.00 45.11 C ATOM 790 OE1 GLU A 108 29.184 1.854 25.883 1.00 49.91 O ATOM 791 OE2 GLU A 108 28.680 -0.093 24.992 1.00 47.08 O ATOM 0 H AGLU A 108 25.198 2.926 28.706 0.50 34.54 H new ATOM 0 H BGLU A 108 25.227 2.917 28.724 0.50 34.54 H new ATOM 0 HA GLU A 108 26.475 2.227 26.353 1.00 34.35 H new ATOM 0 HB2 GLU A 108 27.976 2.054 28.204 1.00 36.17 H new ATOM 0 HB3 GLU A 108 27.005 1.003 28.823 1.00 36.17 H new ATOM 0 HG2 GLU A 108 28.769 -0.096 27.832 1.00 43.36 H new ATOM 0 HG3 GLU A 108 27.455 -0.476 27.083 1.00 43.36 H new ATOM 792 N GLY A 109 24.127 1.205 26.144 1.00 30.48 N ATOM 793 CA GLY A 109 22.917 0.400 26.081 1.00 27.14 C ATOM 794 C GLY A 109 21.942 0.897 27.142 1.00 28.46 C ATOM 795 O GLY A 109 21.687 2.094 27.208 1.00 26.15 O ATOM 0 H GLY A 109 24.272 1.709 25.462 1.00 30.48 H new ATOM 0 HA2 GLY A 109 22.516 0.464 25.200 1.00 27.14 H new ATOM 0 HA3 GLY A 109 23.127 -0.535 26.230 1.00 27.14 H new ATOM 796 N ASP A 110 21.400 0.009 27.978 1.00 25.22 N ATOM 797 CA ASP A 110 20.478 0.446 29.024 1.00 26.76 C ATOM 798 C ASP A 110 21.231 0.764 30.341 1.00 25.03 C ATOM 799 O ASP A 110 20.613 0.956 31.394 1.00 26.92 O ATOM 800 CB ASP A 110 19.405 -0.634 29.272 1.00 29.25 C ATOM 801 CG ASP A 110 19.976 -1.931 29.851 1.00 30.79 C ATOM 802 OD1 ASP A 110 19.206 -2.913 29.981 1.00 32.75 O ATOM 803 OD2 ASP A 110 21.177 -1.984 30.197 1.00 35.23 O ATOM 0 H ASP A 110 21.551 -0.837 27.957 1.00 25.22 H new ATOM 0 HA ASP A 110 20.046 1.260 28.722 1.00 26.76 H new ATOM 0 HB2 ASP A 110 18.736 -0.283 29.880 1.00 29.25 H new ATOM 0 HB3 ASP A 110 18.954 -0.831 28.436 1.00 29.25 H new ATOM 804 N SER A 111 22.555 0.846 30.266 1.00 23.21 N ATOM 805 CA SER A 111 23.388 1.078 31.455 1.00 22.44 C ATOM 806 C SER A 111 24.046 2.440 31.580 1.00 21.67 C ATOM 807 O SER A 111 24.261 3.129 30.598 1.00 23.38 O ATOM 808 CB SER A 111 24.507 0.026 31.540 1.00 21.12 C ATOM 809 OG SER A 111 23.990 -1.291 31.602 1.00 26.14 O ATOM 0 H SER A 111 22.998 0.770 29.533 1.00 23.21 H new ATOM 0 HA SER A 111 22.746 1.018 32.180 1.00 22.44 H new ATOM 0 HB2 SER A 111 25.088 0.109 30.768 1.00 21.12 H new ATOM 0 HB3 SER A 111 25.052 0.196 32.324 1.00 21.12 H new ATOM 0 HG SER A 111 24.374 -1.770 31.029 1.00 26.14 H new ATOM 810 N VAL A 112 24.368 2.805 32.818 1.00 22.16 N ATOM 811 CA VAL A 112 25.087 4.040 33.108 1.00 21.24 C ATOM 812 C VAL A 112 26.419 3.547 33.656 1.00 22.40 C ATOM 813 O VAL A 112 26.483 2.779 34.621 1.00 21.61 O ATOM 814 CB VAL A 112 24.356 4.921 34.144 1.00 21.78 C ATOM 815 CG1 VAL A 112 25.255 6.096 34.582 1.00 23.77 C ATOM 816 CG2 VAL A 112 23.094 5.457 33.539 1.00 21.29 C ATOM 0 H VAL A 112 24.174 2.341 33.516 1.00 22.16 H new ATOM 0 HA VAL A 112 25.173 4.605 32.324 1.00 21.24 H new ATOM 0 HB VAL A 112 24.145 4.381 34.922 1.00 21.78 H new ATOM 0 HG11 VAL A 112 24.783 6.640 35.232 1.00 23.77 H new ATOM 0 HG12 VAL A 112 26.069 5.750 34.980 1.00 23.77 H new ATOM 0 HG13 VAL A 112 25.479 6.638 33.809 1.00 23.77 H new ATOM 0 HG21 VAL A 112 22.633 6.011 34.189 1.00 21.29 H new ATOM 0 HG22 VAL A 112 23.310 5.989 32.757 1.00 21.29 H new ATOM 0 HG23 VAL A 112 22.521 4.719 33.279 1.00 21.29 H new ATOM 817 N LEU A 113 27.486 3.979 33.012 1.00 21.73 N ATOM 818 CA LEU A 113 28.821 3.567 33.366 1.00 23.92 C ATOM 819 C LEU A 113 29.623 4.715 33.970 1.00 25.58 C ATOM 820 O LEU A 113 29.551 5.852 33.510 1.00 23.50 O ATOM 821 CB LEU A 113 29.488 3.066 32.092 1.00 28.79 C ATOM 822 CG LEU A 113 30.962 2.741 32.044 1.00 32.15 C ATOM 823 CD1 LEU A 113 31.311 1.778 33.182 1.00 36.33 C ATOM 824 CD2 LEU A 113 31.274 2.131 30.672 1.00 32.36 C ATOM 0 H LEU A 113 27.452 4.526 32.349 1.00 21.73 H new ATOM 0 HA LEU A 113 28.784 2.870 34.040 1.00 23.92 H new ATOM 0 HB2 LEU A 113 29.014 2.263 31.823 1.00 28.79 H new ATOM 0 HB3 LEU A 113 29.325 3.734 31.408 1.00 28.79 H new ATOM 0 HG LEU A 113 31.499 3.540 32.162 1.00 32.15 H new ATOM 0 HD11 LEU A 113 32.258 1.569 33.151 1.00 36.33 H new ATOM 0 HD12 LEU A 113 31.099 2.192 34.033 1.00 36.33 H new ATOM 0 HD13 LEU A 113 30.797 0.961 33.084 1.00 36.33 H new ATOM 0 HD21 LEU A 113 32.218 1.915 30.621 1.00 32.36 H new ATOM 0 HD22 LEU A 113 30.751 1.323 30.550 1.00 32.36 H new ATOM 0 HD23 LEU A 113 31.051 2.769 29.976 1.00 32.36 H new ATOM 825 N LEU A 114 30.400 4.405 34.994 1.00 23.15 N ATOM 826 CA LEU A 114 31.222 5.407 35.638 1.00 22.70 C ATOM 827 C LEU A 114 32.647 4.921 35.604 1.00 22.77 C ATOM 828 O LEU A 114 32.949 3.825 36.101 1.00 19.70 O ATOM 829 CB LEU A 114 30.774 5.611 37.094 1.00 18.97 C ATOM 830 CG LEU A 114 31.685 6.505 37.935 1.00 20.13 C ATOM 831 CD1 LEU A 114 31.569 7.963 37.421 1.00 18.28 C ATOM 832 CD2 LEU A 114 31.271 6.433 39.388 1.00 21.29 C ATOM 0 H LEU A 114 30.465 3.616 35.331 1.00 23.15 H new ATOM 0 HA LEU A 114 31.139 6.256 35.176 1.00 22.70 H new ATOM 0 HB2 LEU A 114 29.882 5.992 37.093 1.00 18.97 H new ATOM 0 HB3 LEU A 114 30.711 4.743 37.523 1.00 18.97 H new ATOM 0 HG LEU A 114 32.604 6.205 37.858 1.00 20.13 H new ATOM 0 HD11 LEU A 114 32.144 8.539 37.949 1.00 18.28 H new ATOM 0 HD12 LEU A 114 31.840 8.001 36.490 1.00 18.28 H new ATOM 0 HD13 LEU A 114 30.650 8.263 37.502 1.00 18.28 H new ATOM 0 HD21 LEU A 114 31.851 7.001 39.918 1.00 21.29 H new ATOM 0 HD22 LEU A 114 30.353 6.734 39.479 1.00 21.29 H new ATOM 0 HD23 LEU A 114 31.343 5.517 39.700 1.00 21.29 H new ATOM 833 N GLU A 115 33.527 5.719 34.993 1.00 24.58 N ATOM 834 CA GLU A 115 34.938 5.377 34.923 1.00 24.67 C ATOM 835 C GLU A 115 35.730 6.423 35.677 1.00 24.75 C ATOM 836 O GLU A 115 35.459 7.637 35.569 1.00 25.68 O ATOM 837 CB GLU A 115 35.432 5.305 33.465 1.00 27.56 C ATOM 838 CG GLU A 115 34.725 4.237 32.638 1.00 37.49 C ATOM 839 CD GLU A 115 35.300 4.081 31.239 1.00 42.08 C ATOM 840 OE1 GLU A 115 35.627 5.107 30.596 1.00 45.76 O ATOM 841 OE2 GLU A 115 35.410 2.925 30.775 1.00 46.86 O ATOM 0 H GLU A 115 33.321 6.463 34.614 1.00 24.58 H new ATOM 0 HA GLU A 115 35.064 4.501 35.321 1.00 24.67 H new ATOM 0 HB2 GLU A 115 35.303 6.169 33.044 1.00 27.56 H new ATOM 0 HB3 GLU A 115 36.386 5.128 33.462 1.00 27.56 H new ATOM 0 HG2 GLU A 115 34.783 3.387 33.101 1.00 37.49 H new ATOM 0 HG3 GLU A 115 33.783 4.460 32.571 1.00 37.49 H new ATOM 842 N VAL A 116 36.705 5.947 36.449 1.00 24.99 N ATOM 843 CA VAL A 116 37.566 6.806 37.241 1.00 26.44 C ATOM 844 C VAL A 116 39.011 6.497 36.882 1.00 28.82 C ATOM 845 O VAL A 116 39.448 5.333 36.897 1.00 28.57 O ATOM 846 CB VAL A 116 37.322 6.620 38.749 1.00 26.87 C ATOM 847 CG1 VAL A 116 38.349 7.424 39.557 1.00 28.20 C ATOM 848 CG2 VAL A 116 35.920 7.100 39.100 1.00 26.00 C ATOM 0 H VAL A 116 36.883 5.109 36.525 1.00 24.99 H new ATOM 0 HA VAL A 116 37.365 7.733 37.040 1.00 26.44 H new ATOM 0 HB VAL A 116 37.413 5.679 38.967 1.00 26.87 H new ATOM 0 HG11 VAL A 116 38.185 7.299 40.505 1.00 28.20 H new ATOM 0 HG12 VAL A 116 39.243 7.117 39.341 1.00 28.20 H new ATOM 0 HG13 VAL A 116 38.269 8.365 39.337 1.00 28.20 H new ATOM 0 HG21 VAL A 116 35.766 6.983 40.051 1.00 26.00 H new ATOM 0 HG22 VAL A 116 35.833 8.039 38.872 1.00 26.00 H new ATOM 0 HG23 VAL A 116 35.267 6.585 38.601 1.00 26.00 H new ATOM 849 N ASP A 117 39.736 7.557 36.523 1.00 29.34 N ATOM 850 CA ASP A 117 41.139 7.455 36.105 1.00 31.34 C ATOM 851 C ASP A 117 41.378 6.339 35.112 1.00 31.63 C ATOM 852 O ASP A 117 42.326 5.559 35.245 1.00 33.65 O ATOM 853 CB ASP A 117 42.033 7.293 37.326 1.00 32.21 C ATOM 854 CG ASP A 117 41.982 8.503 38.208 1.00 33.14 C ATOM 855 OD1 ASP A 117 42.076 8.378 39.454 1.00 33.55 O ATOM 856 OD2 ASP A 117 41.837 9.600 37.628 1.00 34.65 O ATOM 0 H ASP A 117 39.428 8.360 36.515 1.00 29.34 H new ATOM 0 HA ASP A 117 41.363 8.280 35.646 1.00 31.34 H new ATOM 0 HB2 ASP A 117 41.756 6.512 37.830 1.00 32.21 H new ATOM 0 HB3 ASP A 117 42.947 7.137 37.041 1.00 32.21 H new ATOM 857 N GLY A 118 40.505 6.270 34.113 1.00 31.70 N ATOM 858 CA GLY A 118 40.630 5.254 33.082 1.00 32.34 C ATOM 859 C GLY A 118 40.050 3.883 33.405 1.00 34.18 C ATOM 860 O GLY A 118 39.967 3.031 32.518 1.00 33.97 O ATOM 0 H GLY A 118 39.836 6.801 34.016 1.00 31.70 H new ATOM 0 HA2 GLY A 118 40.200 5.584 32.277 1.00 32.34 H new ATOM 0 HA3 GLY A 118 41.572 5.145 32.876 1.00 32.34 H new ATOM 861 N GLU A 119 39.638 3.654 34.653 1.00 32.58 N ATOM 862 CA GLU A 119 39.091 2.344 35.024 1.00 31.88 C ATOM 863 C GLU A 119 37.584 2.352 35.302 1.00 29.02 C ATOM 864 O GLU A 119 37.066 3.245 35.971 1.00 26.46 O ATOM 865 CB GLU A 119 39.814 1.818 36.267 1.00 33.92 C ATOM 866 CG GLU A 119 41.318 1.668 36.096 1.00 41.86 C ATOM 867 CD GLU A 119 41.713 0.393 35.354 1.00 46.76 C ATOM 868 OE1 GLU A 119 42.930 0.200 35.128 1.00 49.19 O ATOM 869 OE2 GLU A 119 40.817 -0.417 35.006 1.00 47.10 O ATOM 0 H GLU A 119 39.665 4.231 35.290 1.00 32.58 H new ATOM 0 HA GLU A 119 39.235 1.769 34.256 1.00 31.88 H new ATOM 0 HB2 GLU A 119 39.641 2.419 37.008 1.00 33.92 H new ATOM 0 HB3 GLU A 119 39.438 0.957 36.507 1.00 33.92 H new ATOM 0 HG2 GLU A 119 41.661 2.436 35.613 1.00 41.86 H new ATOM 0 HG3 GLU A 119 41.739 1.671 36.970 1.00 41.86 H new ATOM 870 N GLU A 120 36.881 1.358 34.774 1.00 29.04 N ATOM 871 CA GLU A 120 35.461 1.252 35.033 1.00 28.51 C ATOM 872 C GLU A 120 35.347 0.861 36.518 1.00 27.93 C ATOM 873 O GLU A 120 35.963 -0.107 36.936 1.00 25.47 O ATOM 874 CB GLU A 120 34.841 0.153 34.169 1.00 31.14 C ATOM 875 CG GLU A 120 33.361 -0.136 34.505 1.00 35.84 C ATOM 876 CD GLU A 120 32.635 -0.993 33.448 1.00 38.64 C ATOM 877 OE1 GLU A 120 33.032 -0.960 32.261 1.00 41.30 O ATOM 878 OE2 GLU A 120 31.646 -1.677 33.796 1.00 37.30 O ATOM 0 H GLU A 120 37.206 0.743 34.269 1.00 29.04 H new ATOM 0 HA GLU A 120 34.999 2.080 34.830 1.00 28.51 H new ATOM 0 HB2 GLU A 120 34.909 0.409 33.236 1.00 31.14 H new ATOM 0 HB3 GLU A 120 35.355 -0.662 34.278 1.00 31.14 H new ATOM 0 HG2 GLU A 120 33.316 -0.588 35.362 1.00 35.84 H new ATOM 0 HG3 GLU A 120 32.891 0.707 34.604 1.00 35.84 H new ATOM 879 N VAL A 121 34.586 1.615 37.308 1.00 25.52 N ATOM 880 CA VAL A 121 34.421 1.283 38.720 1.00 24.64 C ATOM 881 C VAL A 121 32.974 0.983 39.061 1.00 22.96 C ATOM 882 O VAL A 121 32.672 0.486 40.133 1.00 23.81 O ATOM 883 CB VAL A 121 34.898 2.420 39.671 1.00 26.13 C ATOM 884 CG1 VAL A 121 36.362 2.692 39.446 1.00 27.12 C ATOM 885 CG2 VAL A 121 34.064 3.681 39.475 1.00 25.45 C ATOM 0 H VAL A 121 34.161 2.316 37.049 1.00 25.52 H new ATOM 0 HA VAL A 121 34.974 0.498 38.856 1.00 24.64 H new ATOM 0 HB VAL A 121 34.775 2.133 40.589 1.00 26.13 H new ATOM 0 HG11 VAL A 121 36.655 3.401 40.040 1.00 27.12 H new ATOM 0 HG12 VAL A 121 36.872 1.887 39.627 1.00 27.12 H new ATOM 0 HG13 VAL A 121 36.503 2.964 38.526 1.00 27.12 H new ATOM 0 HG21 VAL A 121 34.379 4.374 40.076 1.00 25.45 H new ATOM 0 HG22 VAL A 121 34.149 3.986 38.558 1.00 25.45 H new ATOM 0 HG23 VAL A 121 33.133 3.486 39.665 1.00 25.45 H new ATOM 886 N LEU A 122 32.072 1.271 38.140 1.00 19.94 N ATOM 887 CA LEU A 122 30.677 1.037 38.419 1.00 19.51 C ATOM 888 C LEU A 122 29.837 1.022 37.157 1.00 20.59 C ATOM 889 O LEU A 122 29.993 1.887 36.281 1.00 20.62 O ATOM 890 CB LEU A 122 30.146 2.131 39.355 1.00 17.23 C ATOM 891 CG LEU A 122 28.637 2.069 39.669 1.00 21.49 C ATOM 892 CD1 LEU A 122 28.352 0.910 40.637 1.00 16.66 C ATOM 893 CD2 LEU A 122 28.143 3.400 40.267 1.00 19.91 C ATOM 0 H LEU A 122 32.245 1.596 37.363 1.00 19.94 H new ATOM 0 HA LEU A 122 30.609 0.165 38.838 1.00 19.51 H new ATOM 0 HB2 LEU A 122 30.636 2.084 40.191 1.00 17.23 H new ATOM 0 HB3 LEU A 122 30.342 2.995 38.960 1.00 17.23 H new ATOM 0 HG LEU A 122 28.157 1.916 38.840 1.00 21.49 H new ATOM 0 HD11 LEU A 122 27.402 0.876 40.831 1.00 16.66 H new ATOM 0 HD12 LEU A 122 28.629 0.074 40.231 1.00 16.66 H new ATOM 0 HD13 LEU A 122 28.845 1.048 41.461 1.00 16.66 H new ATOM 0 HD21 LEU A 122 27.194 3.338 40.456 1.00 19.91 H new ATOM 0 HD22 LEU A 122 28.624 3.584 41.089 1.00 19.91 H new ATOM 0 HD23 LEU A 122 28.300 4.118 39.633 1.00 19.91 H new ATOM 894 N AARG A 123 28.963 0.028 37.052 0.50 18.87 N ATOM 895 N BARG A 123 28.958 0.035 37.052 0.50 19.65 N ATOM 896 CA AARG A 123 28.053 -0.078 35.915 0.50 19.77 C ATOM 897 CA BARG A 123 28.051 -0.048 35.916 0.50 21.03 C ATOM 898 C AARG A 123 26.650 -0.328 36.452 0.50 20.20 C ATOM 899 C BARG A 123 26.654 -0.323 36.447 0.50 20.94 C ATOM 900 O AARG A 123 26.376 -1.388 37.030 0.50 20.46 O ATOM 901 O BARG A 123 26.389 -1.392 37.012 0.50 21.18 O ATOM 902 CB AARG A 123 28.466 -1.219 34.969 0.50 19.71 C ATOM 903 CB BARG A 123 28.471 -1.148 34.933 0.50 22.59 C ATOM 904 CG AARG A 123 27.563 -1.340 33.725 0.50 21.87 C ATOM 905 CG BARG A 123 27.534 -1.249 33.720 0.50 26.32 C ATOM 906 CD AARG A 123 28.109 -2.352 32.717 0.50 20.28 C ATOM 907 CD BARG A 123 28.171 -2.025 32.580 0.50 27.25 C ATOM 908 NE AARG A 123 29.481 -2.043 32.304 0.50 18.44 N ATOM 909 NE BARG A 123 27.252 -2.188 31.461 0.50 28.70 N ATOM 910 CZ AARG A 123 29.862 -1.923 31.036 0.50 17.47 C ATOM 911 CZ BARG A 123 27.571 -2.752 30.301 0.50 28.86 C ATOM 912 NH1AARG A 123 28.979 -2.086 30.057 0.50 18.47 N ATOM 913 NH1BARG A 123 28.803 -3.214 30.097 0.50 26.71 N ATOM 914 NH2AARG A 123 31.116 -1.649 30.743 0.50 18.69 N ATOM 915 NH2BARG A 123 26.650 -2.864 29.349 0.50 28.05 N ATOM 0 H AARG A 123 28.880 -0.601 37.633 0.50 19.65 H new ATOM 0 H BARG A 123 28.870 -0.598 37.628 0.50 19.65 H new ATOM 0 HA AARG A 123 28.082 0.746 35.404 0.50 21.03 H new ATOM 0 HA BARG A 123 28.074 0.790 35.429 0.50 21.03 H new ATOM 0 HB2AARG A 123 29.382 -1.077 34.683 0.50 22.59 H new ATOM 0 HB2BARG A 123 29.374 -0.974 34.625 0.50 22.59 H new ATOM 0 HB3AARG A 123 28.447 -2.057 35.457 0.50 22.59 H new ATOM 0 HB3BARG A 123 28.488 -2.000 35.396 0.50 22.59 H new ATOM 0 HG2AARG A 123 26.671 -1.606 33.998 0.50 26.32 H new ATOM 0 HG2BARG A 123 26.708 -1.682 33.985 0.50 26.32 H new ATOM 0 HG3AARG A 123 27.482 -0.472 33.299 0.50 26.32 H new ATOM 0 HG3BARG A 123 27.302 -0.358 33.415 0.50 26.32 H new ATOM 0 HD2AARG A 123 28.083 -3.240 33.107 0.50 27.25 H new ATOM 0 HD2BARG A 123 28.969 -1.563 32.279 0.50 27.25 H new ATOM 0 HD3AARG A 123 27.535 -2.369 31.936 0.50 27.25 H new ATOM 0 HD3BARG A 123 28.452 -2.897 32.899 0.50 27.25 H new ATOM 0 HE AARG A 123 30.074 -1.933 32.917 0.50 28.70 H new ATOM 0 HE BARG A 123 26.448 -1.899 31.558 0.50 28.70 H new ATOM 0 HH11AARG A 123 28.160 -2.269 30.243 0.50 26.71 H new ATOM 0 HH11BARG A 123 29.395 -3.148 30.717 0.50 26.71 H new ATOM 0 HH12AARG A 123 29.227 -2.008 29.237 0.50 26.71 H new ATOM 0 HH12BARG A 123 29.007 -3.579 29.345 0.50 26.71 H new ATOM 0 HH21AARG A 123 31.692 -1.547 31.373 0.50 28.05 H new ATOM 0 HH21BARG A 123 25.853 -2.572 29.486 0.50 28.05 H new ATOM 0 HH22AARG A 123 31.359 -1.572 29.922 0.50 28.05 H new ATOM 0 HH22BARG A 123 26.852 -3.228 28.596 0.50 28.05 H new ATOM 916 N LEU A 124 25.765 0.653 36.293 1.00 18.15 N ATOM 917 CA LEU A 124 24.394 0.503 36.767 1.00 18.64 C ATOM 918 C LEU A 124 23.619 0.005 35.547 1.00 20.74 C ATOM 919 O LEU A 124 23.417 0.748 34.570 1.00 21.25 O ATOM 920 CB LEU A 124 23.840 1.845 37.260 1.00 18.54 C ATOM 921 CG LEU A 124 24.690 2.511 38.359 1.00 20.01 C ATOM 922 CD1 LEU A 124 24.128 3.914 38.639 1.00 17.52 C ATOM 923 CD2 LEU A 124 24.712 1.645 39.653 1.00 17.93 C ATOM 0 H ALEU A 124 25.937 1.407 35.916 0.50 18.15 H new ATOM 0 H BLEU A 124 25.935 1.408 35.918 0.50 18.15 H new ATOM 0 HA LEU A 124 24.327 -0.108 37.518 1.00 18.64 H new ATOM 0 HB2 LEU A 124 23.770 2.452 36.506 1.00 18.54 H new ATOM 0 HB3 LEU A 124 22.941 1.708 37.598 1.00 18.54 H new ATOM 0 HG LEU A 124 25.608 2.588 38.054 1.00 20.01 H new ATOM 0 HD11 LEU A 124 24.657 4.343 39.330 1.00 17.52 H new ATOM 0 HD12 LEU A 124 24.165 4.445 37.828 1.00 17.52 H new ATOM 0 HD13 LEU A 124 23.207 3.841 38.935 1.00 17.52 H new ATOM 0 HD21 LEU A 124 25.252 2.085 40.328 1.00 17.93 H new ATOM 0 HD22 LEU A 124 23.807 1.535 39.985 1.00 17.93 H new ATOM 0 HD23 LEU A 124 25.090 0.774 39.454 1.00 17.93 H new ATOM 924 N ARG A 125 23.216 -1.261 35.591 1.00 20.53 N ATOM 925 CA ARG A 125 22.520 -1.883 34.463 1.00 20.67 C ATOM 926 C ARG A 125 21.023 -1.831 34.556 1.00 21.60 C ATOM 927 O ARG A 125 20.456 -1.788 35.656 1.00 23.49 O ATOM 928 CB ARG A 125 22.946 -3.349 34.299 1.00 21.63 C ATOM 929 CG ARG A 125 24.427 -3.561 34.044 1.00 21.91 C ATOM 930 CD ARG A 125 24.736 -5.041 33.800 1.00 21.74 C ATOM 931 NE ARG A 125 26.144 -5.291 33.509 1.00 24.73 N ATOM 932 CZ ARG A 125 26.664 -5.407 32.288 1.00 25.32 C ATOM 933 NH1 ARG A 125 25.903 -5.295 31.217 1.00 29.11 N ATOM 934 NH2 ARG A 125 27.949 -5.659 32.144 1.00 29.30 N ATOM 0 H ARG A 125 23.335 -1.780 36.266 1.00 20.53 H new ATOM 0 HA ARG A 125 22.780 -1.356 33.691 1.00 20.67 H new ATOM 0 HB2 ARG A 125 22.696 -3.836 35.100 1.00 21.63 H new ATOM 0 HB3 ARG A 125 22.446 -3.737 33.564 1.00 21.63 H new ATOM 0 HG2 ARG A 125 24.704 -3.038 33.275 1.00 21.91 H new ATOM 0 HG3 ARG A 125 24.938 -3.241 34.804 1.00 21.91 H new ATOM 0 HD2 ARG A 125 24.477 -5.553 34.582 1.00 21.74 H new ATOM 0 HD3 ARG A 125 24.197 -5.361 33.060 1.00 21.74 H new ATOM 0 HE ARG A 125 26.679 -5.370 34.177 1.00 24.73 H new ATOM 0 HH11 ARG A 125 25.060 -5.145 31.302 1.00 29.11 H new ATOM 0 HH12 ARG A 125 26.249 -5.372 30.434 1.00 29.11 H new ATOM 0 HH21 ARG A 125 28.450 -5.748 32.837 1.00 29.30 H new ATOM 0 HH22 ARG A 125 28.287 -5.734 31.357 1.00 29.30 H new ATOM 935 N GLN A 126 20.390 -1.827 33.381 1.00 22.11 N ATOM 936 CA GLN A 126 18.944 -1.813 33.249 1.00 21.18 C ATOM 937 C GLN A 126 18.304 -0.586 33.909 1.00 24.82 C ATOM 938 O GLN A 126 17.242 -0.696 34.525 1.00 22.43 O ATOM 939 CB GLN A 126 18.358 -3.115 33.838 1.00 22.25 C ATOM 940 CG GLN A 126 18.914 -4.380 33.167 1.00 25.55 C ATOM 941 CD GLN A 126 18.417 -5.675 33.793 1.00 26.41 C ATOM 942 OE1 GLN A 126 18.699 -5.969 34.959 1.00 26.04 O ATOM 943 NE2 GLN A 126 17.673 -6.461 33.017 1.00 25.61 N ATOM 0 H GLN A 126 20.803 -1.833 32.627 1.00 22.11 H new ATOM 0 HA GLN A 126 18.736 -1.758 32.303 1.00 21.18 H new ATOM 0 HB2 GLN A 126 18.549 -3.149 34.789 1.00 22.25 H new ATOM 0 HB3 GLN A 126 17.393 -3.102 33.742 1.00 22.25 H new ATOM 0 HG2 GLN A 126 18.672 -4.371 32.228 1.00 25.55 H new ATOM 0 HG3 GLN A 126 19.883 -4.360 33.211 1.00 25.55 H new ATOM 0 HE21 GLN A 126 17.496 -6.225 32.209 1.00 25.61 H new ATOM 0 HE22 GLN A 126 17.369 -7.205 33.324 1.00 25.61 H new ATOM 944 N VAL A 127 18.926 0.588 33.765 1.00 25.26 N ATOM 945 CA VAL A 127 18.350 1.769 34.391 1.00 30.11 C ATOM 946 C VAL A 127 17.707 2.811 33.469 1.00 34.17 C ATOM 947 O VAL A 127 17.039 3.719 33.947 1.00 33.61 O ATOM 948 CB VAL A 127 19.380 2.524 35.299 1.00 28.90 C ATOM 949 CG1 VAL A 127 19.827 1.623 36.453 1.00 27.61 C ATOM 950 CG2 VAL A 127 20.558 2.997 34.484 1.00 26.71 C ATOM 0 H VAL A 127 19.654 0.715 33.326 1.00 25.26 H new ATOM 0 HA VAL A 127 17.630 1.371 34.905 1.00 30.11 H new ATOM 0 HB VAL A 127 18.950 3.307 35.677 1.00 28.90 H new ATOM 0 HG11 VAL A 127 20.464 2.100 37.008 1.00 27.61 H new ATOM 0 HG12 VAL A 127 19.056 1.374 36.987 1.00 27.61 H new ATOM 0 HG13 VAL A 127 20.245 0.823 36.096 1.00 27.61 H new ATOM 0 HG21 VAL A 127 21.185 3.462 35.060 1.00 26.71 H new ATOM 0 HG22 VAL A 127 20.998 2.234 34.077 1.00 26.71 H new ATOM 0 HG23 VAL A 127 20.250 3.600 33.790 1.00 26.71 H new ATOM 951 N ASER A 128 17.895 2.682 32.163 0.50 35.93 N ATOM 952 N BSER A 128 17.885 2.676 32.163 0.50 36.19 N ATOM 953 CA ASER A 128 17.322 3.669 31.261 0.50 39.23 C ATOM 954 CA BSER A 128 17.301 3.659 31.265 0.50 39.73 C ATOM 955 C ASER A 128 17.036 3.190 29.844 0.50 41.50 C ATOM 956 C BSER A 128 17.019 3.174 29.853 0.50 41.80 C ATOM 957 O ASER A 128 17.712 2.305 29.321 0.50 40.47 O ATOM 958 O BSER A 128 17.681 2.272 29.341 0.50 40.80 O ATOM 959 CB ASER A 128 18.245 4.892 31.196 0.50 39.64 C ATOM 960 CB BSER A 128 18.210 4.889 31.193 0.50 40.53 C ATOM 961 OG ASER A 128 17.769 5.852 30.271 0.50 37.20 O ATOM 962 OG BSER A 128 19.515 4.526 30.778 0.50 39.60 O ATOM 0 H ASER A 128 18.339 2.049 31.786 0.50 36.19 H new ATOM 0 H BSER A 128 18.327 2.043 31.785 0.50 36.19 H new ATOM 0 HA ASER A 128 16.454 3.879 31.640 0.50 39.73 H new ATOM 0 HA BSER A 128 16.434 3.865 31.649 0.50 39.73 H new ATOM 0 HB2ASER A 128 18.313 5.295 32.076 0.50 40.53 H new ATOM 0 HB2BSER A 128 17.837 5.536 30.574 0.50 40.53 H new ATOM 0 HB3ASER A 128 19.138 4.612 30.942 0.50 40.53 H new ATOM 0 HB3BSER A 128 18.250 5.318 32.062 0.50 40.53 H new ATOM 0 HG ASER A 128 17.901 5.577 29.488 0.50 39.60 H new ATOM 0 HG BSER A 128 20.079 4.857 31.305 0.50 39.60 H new ATOM 963 N GLY A 129 16.021 3.796 29.235 1.00 43.77 N ATOM 964 CA GLY A 129 15.667 3.474 27.870 1.00 50.24 C ATOM 965 C GLY A 129 16.377 4.575 27.090 1.00 55.67 C ATOM 966 O GLY A 129 16.982 5.459 27.708 1.00 54.39 O ATOM 0 H AGLY A 129 15.527 4.397 29.601 0.50 43.77 H new ATOM 0 H BGLY A 129 15.538 4.409 29.595 0.50 43.77 H new ATOM 0 HA2 GLY A 129 15.975 2.591 27.614 1.00 50.24 H new ATOM 0 HA3 GLY A 129 14.707 3.491 27.730 1.00 50.24 H new ATOM 967 N PRO A 130 16.330 4.571 25.747 1.00 59.87 N ATOM 968 CA PRO A 130 17.006 5.615 24.962 1.00 62.53 C ATOM 969 C PRO A 130 16.665 7.031 25.426 1.00 64.96 C ATOM 970 O PRO A 130 15.500 7.333 25.705 1.00 64.81 O ATOM 971 CB PRO A 130 16.517 5.348 23.543 1.00 62.62 C ATOM 972 CG PRO A 130 16.326 3.868 23.536 1.00 62.63 C ATOM 973 CD PRO A 130 15.647 3.612 24.863 1.00 61.06 C ATOM 0 HA PRO A 130 17.971 5.575 25.052 1.00 62.53 H new ATOM 0 HB2 PRO A 130 15.691 5.819 23.352 1.00 62.62 H new ATOM 0 HB3 PRO A 130 17.165 5.631 22.879 1.00 62.62 H new ATOM 0 HG2 PRO A 130 15.778 3.579 22.790 1.00 62.63 H new ATOM 0 HG3 PRO A 130 17.171 3.396 23.467 1.00 62.63 H new ATOM 0 HD2 PRO A 130 14.692 3.775 24.819 1.00 61.06 H new ATOM 0 HD3 PRO A 130 15.765 2.696 25.161 1.00 61.06 H new ATOM 974 N LEU A 131 17.683 7.889 25.517 1.00 67.42 N ATOM 975 CA LEU A 131 17.476 9.275 25.939 1.00 70.65 C ATOM 976 C LEU A 131 16.677 10.030 24.884 1.00 72.66 C ATOM 977 O LEU A 131 15.585 10.536 25.159 1.00 72.66 O ATOM 978 CB LEU A 131 18.814 9.988 26.169 1.00 69.74 C ATOM 979 CG LEU A 131 19.541 9.769 27.498 1.00 69.77 C ATOM 980 CD1 LEU A 131 20.829 10.580 27.512 1.00 69.05 C ATOM 981 CD2 LEU A 131 18.642 10.188 28.650 1.00 69.82 C ATOM 0 H LEU A 131 18.500 7.688 25.339 1.00 67.42 H new ATOM 0 HA LEU A 131 16.984 9.261 26.775 1.00 70.65 H new ATOM 0 HB2 LEU A 131 19.416 9.722 25.456 1.00 69.74 H new ATOM 0 HB3 LEU A 131 18.661 10.941 26.070 1.00 69.74 H new ATOM 0 HG LEU A 131 19.759 8.829 27.598 1.00 69.77 H new ATOM 0 HD11 LEU A 131 21.290 10.441 28.354 1.00 69.05 H new ATOM 0 HD12 LEU A 131 21.399 10.295 26.781 1.00 69.05 H new ATOM 0 HD13 LEU A 131 20.620 11.522 27.410 1.00 69.05 H new ATOM 0 HD21 LEU A 131 19.106 10.048 29.490 1.00 69.82 H new ATOM 0 HD22 LEU A 131 18.415 11.127 28.559 1.00 69.82 H new ATOM 0 HD23 LEU A 131 17.830 9.657 28.637 1.00 69.82 H new ATOM 982 N THR A 132 17.233 10.100 23.677 1.00 75.11 N ATOM 983 CA THR A 132 16.582 10.782 22.563 1.00 77.65 C ATOM 984 C THR A 132 15.082 10.494 22.533 1.00 78.99 C ATOM 985 O THR A 132 14.275 11.392 22.278 1.00 79.31 O ATOM 986 CB THR A 132 17.210 10.361 21.218 1.00 77.47 C ATOM 987 OG1 THR A 132 17.317 8.933 21.163 1.00 77.15 O ATOM 988 CG2 THR A 132 18.595 10.979 21.062 1.00 77.48 C ATOM 0 H THR A 132 17.996 9.754 23.482 1.00 75.11 H new ATOM 0 HA THR A 132 16.714 11.734 22.694 1.00 77.65 H new ATOM 0 HB THR A 132 16.642 10.675 20.497 1.00 77.47 H new ATOM 0 HG1 THR A 132 17.658 8.705 20.430 1.00 77.15 H new ATOM 0 HG21 THR A 132 18.978 10.706 20.213 1.00 77.48 H new ATOM 0 HG22 THR A 132 18.523 11.946 21.088 1.00 77.48 H new ATOM 0 HG23 THR A 132 19.167 10.678 21.785 1.00 77.48 H new ATOM 989 N SER A 133 14.715 9.242 22.800 1.00 80.32 N ATOM 990 CA SER A 133 13.310 8.844 22.816 1.00 81.35 C ATOM 991 C SER A 133 12.674 9.241 24.148 1.00 81.76 C ATOM 992 O SER A 133 13.176 10.122 24.845 1.00 81.80 O ATOM 993 CB SER A 133 13.180 7.333 22.606 1.00 81.52 C ATOM 994 OG SER A 133 13.823 6.613 23.644 1.00 82.41 O ATOM 0 H SER A 133 15.267 8.606 22.975 1.00 80.32 H new ATOM 0 HA SER A 133 12.849 9.298 22.093 1.00 81.35 H new ATOM 0 HB2 SER A 133 12.242 7.088 22.572 1.00 81.52 H new ATOM 0 HB3 SER A 133 13.568 7.088 21.751 1.00 81.52 H new ATOM 0 HG SER A 133 14.242 7.148 24.138 1.00 82.41 H new ATOM 995 N LYS A 134 11.571 8.588 24.497 1.00 82.54 N ATOM 996 CA LYS A 134 10.870 8.885 25.741 1.00 82.92 C ATOM 997 C LYS A 134 10.664 10.387 25.909 1.00 83.27 C ATOM 998 O LYS A 134 9.543 10.851 26.120 1.00 83.70 O ATOM 999 CB LYS A 134 11.651 8.334 26.940 1.00 83.05 C ATOM 1000 CG LYS A 134 11.549 6.821 27.131 1.00 82.91 C ATOM 1001 CD LYS A 134 12.225 6.047 26.012 1.00 82.57 C ATOM 1002 CE LYS A 134 12.103 4.547 26.241 1.00 83.08 C ATOM 1003 NZ LYS A 134 12.775 3.743 25.183 1.00 82.71 N ATOM 0 H LYS A 134 11.210 7.966 24.025 1.00 82.54 H new ATOM 0 HA LYS A 134 10.001 8.456 25.701 1.00 82.92 H new ATOM 0 HB2 LYS A 134 12.586 8.572 26.838 1.00 83.05 H new ATOM 0 HB3 LYS A 134 11.333 8.771 27.745 1.00 83.05 H new ATOM 0 HG2 LYS A 134 11.952 6.577 27.979 1.00 82.91 H new ATOM 0 HG3 LYS A 134 10.614 6.566 27.178 1.00 82.91 H new ATOM 0 HD2 LYS A 134 11.822 6.282 25.161 1.00 82.57 H new ATOM 0 HD3 LYS A 134 13.161 6.295 25.961 1.00 82.57 H new ATOM 0 HE2 LYS A 134 12.487 4.324 27.103 1.00 83.08 H new ATOM 0 HE3 LYS A 134 11.164 4.305 26.277 1.00 83.08 H new ATOM 0 HZ1 LYS A 134 12.164 3.286 24.724 1.00 82.71 H new ATOM 0 HZ2 LYS A 134 13.215 4.286 24.632 1.00 82.71 H new ATOM 0 HZ3 LYS A 134 13.348 3.176 25.560 1.00 82.71 H new ATOM 1004 N HIS A 136 10.115 14.128 27.855 1.00 57.50 N ATOM 1005 CA HIS A 136 11.476 14.409 28.308 1.00 57.01 C ATOM 1006 C HIS A 136 12.309 14.891 27.126 1.00 54.93 C ATOM 1007 O HIS A 136 13.370 14.338 26.835 1.00 55.53 O ATOM 1008 CB HIS A 136 12.137 13.146 28.889 1.00 59.24 C ATOM 1009 CG HIS A 136 11.167 12.095 29.338 1.00 61.73 C ATOM 1010 ND1 HIS A 136 10.339 11.422 28.462 1.00 62.23 N ATOM 1011 CD2 HIS A 136 10.898 11.597 30.568 1.00 62.17 C ATOM 1012 CE1 HIS A 136 9.603 10.554 29.135 1.00 62.73 C ATOM 1013 NE2 HIS A 136 9.922 10.640 30.414 1.00 63.31 N ATOM 0 HA HIS A 136 11.432 15.089 28.999 1.00 57.01 H new ATOM 0 HB2 HIS A 136 12.725 12.764 28.219 1.00 59.24 H new ATOM 0 HB3 HIS A 136 12.693 13.401 29.642 1.00 59.24 H new ATOM 0 HD1 HIS A 136 10.307 11.548 27.612 1.00 62.23 H new ATOM 0 HD2 HIS A 136 11.298 11.854 31.367 1.00 62.17 H new ATOM 0 HE1 HIS A 136 8.969 9.980 28.770 1.00 62.73 H new ATOM 1014 N PRO A 137 11.844 15.932 26.425 1.00 52.06 N ATOM 1015 CA PRO A 137 12.621 16.413 25.283 1.00 50.11 C ATOM 1016 C PRO A 137 13.852 17.234 25.692 1.00 46.75 C ATOM 1017 O PRO A 137 14.764 17.434 24.892 1.00 48.07 O ATOM 1018 CB PRO A 137 11.599 17.241 24.516 1.00 50.69 C ATOM 1019 CG PRO A 137 10.834 17.900 25.635 1.00 51.53 C ATOM 1020 CD PRO A 137 10.635 16.752 26.630 1.00 52.17 C ATOM 0 HA PRO A 137 13.006 15.692 24.760 1.00 50.11 H new ATOM 0 HB2 PRO A 137 12.021 17.890 23.932 1.00 50.69 H new ATOM 0 HB3 PRO A 137 11.027 16.689 23.960 1.00 50.69 H new ATOM 0 HG2 PRO A 137 11.331 18.635 26.027 1.00 51.53 H new ATOM 0 HG3 PRO A 137 9.988 18.262 25.329 1.00 51.53 H new ATOM 0 HD2 PRO A 137 10.568 17.074 27.543 1.00 52.17 H new ATOM 0 HD3 PRO A 137 9.825 16.252 26.446 1.00 52.17 H new ATOM 1021 N ILE A 138 13.878 17.700 26.935 1.00 42.95 N ATOM 1022 CA ILE A 138 14.993 18.505 27.415 1.00 40.36 C ATOM 1023 C ILE A 138 15.721 17.949 28.649 1.00 39.00 C ATOM 1024 O ILE A 138 15.084 17.515 29.611 1.00 38.08 O ATOM 1025 CB ILE A 138 14.515 19.925 27.772 1.00 40.91 C ATOM 1026 CG1 ILE A 138 13.850 20.575 26.559 1.00 41.95 C ATOM 1027 CG2 ILE A 138 15.689 20.767 28.243 1.00 41.81 C ATOM 1028 CD1 ILE A 138 13.358 21.972 26.820 1.00 46.08 C ATOM 0 H ILE A 138 13.260 17.561 27.516 1.00 42.95 H new ATOM 0 HA ILE A 138 15.623 18.497 26.677 1.00 40.36 H new ATOM 0 HB ILE A 138 13.865 19.867 28.490 1.00 40.91 H new ATOM 0 HG12 ILE A 138 14.483 20.595 25.824 1.00 41.95 H new ATOM 0 HG13 ILE A 138 13.103 20.025 26.275 1.00 41.95 H new ATOM 0 HG21 ILE A 138 15.379 21.659 28.465 1.00 41.81 H new ATOM 0 HG22 ILE A 138 16.087 20.358 29.028 1.00 41.81 H new ATOM 0 HG23 ILE A 138 16.352 20.822 27.537 1.00 41.81 H new ATOM 0 HD11 ILE A 138 12.949 22.327 26.015 1.00 46.08 H new ATOM 0 HD12 ILE A 138 12.703 21.956 27.536 1.00 46.08 H new ATOM 0 HD13 ILE A 138 14.104 22.535 27.078 1.00 46.08 H new ATOM 1029 N MET A 139 17.054 17.975 28.607 1.00 35.47 N ATOM 1030 CA MET A 139 17.886 17.532 29.729 1.00 32.65 C ATOM 1031 C MET A 139 18.669 18.718 30.294 1.00 31.72 C ATOM 1032 O MET A 139 19.258 19.496 29.539 1.00 30.32 O ATOM 1033 CB MET A 139 18.896 16.476 29.274 1.00 34.26 C ATOM 1034 CG MET A 139 19.864 16.022 30.392 1.00 35.34 C ATOM 1035 SD MET A 139 20.872 14.613 29.883 1.00 39.85 S ATOM 1036 CE MET A 139 19.588 13.388 29.752 1.00 37.27 C ATOM 0 H MET A 139 17.502 18.250 27.927 1.00 35.47 H new ATOM 0 HA MET A 139 17.299 17.155 30.403 1.00 32.65 H new ATOM 0 HB2 MET A 139 18.415 15.703 28.939 1.00 34.26 H new ATOM 0 HB3 MET A 139 19.413 16.831 28.534 1.00 34.26 H new ATOM 0 HG2 MET A 139 20.443 16.761 30.637 1.00 35.34 H new ATOM 0 HG3 MET A 139 19.355 15.786 31.183 1.00 35.34 H new ATOM 0 HE1 MET A 139 19.870 12.574 30.199 1.00 37.27 H new ATOM 0 HE2 MET A 139 18.778 13.722 30.169 1.00 37.27 H new ATOM 0 HE3 MET A 139 19.415 13.199 28.816 1.00 37.27 H new ATOM 1037 N ARG A 140 18.683 18.850 31.615 1.00 29.49 N ATOM 1038 CA ARG A 140 19.430 19.913 32.278 1.00 28.07 C ATOM 1039 C ARG A 140 20.596 19.272 33.045 1.00 28.71 C ATOM 1040 O ARG A 140 20.423 18.196 33.648 1.00 26.92 O ATOM 1041 CB ARG A 140 18.526 20.658 33.279 1.00 26.97 C ATOM 1042 CG ARG A 140 17.262 21.262 32.653 1.00 28.25 C ATOM 1043 CD ARG A 140 16.480 22.081 33.664 1.00 30.70 C ATOM 1044 NE ARG A 140 16.003 21.291 34.803 1.00 30.30 N ATOM 1045 CZ ARG A 140 15.557 21.839 35.931 1.00 30.57 C ATOM 1046 NH1 ARG A 140 15.529 23.166 36.050 1.00 29.29 N ATOM 1047 NH2 ARG A 140 15.160 21.079 36.941 1.00 26.49 N ATOM 0 H ARG A 140 18.261 18.327 32.152 1.00 29.49 H new ATOM 0 HA ARG A 140 19.754 20.544 31.616 1.00 28.07 H new ATOM 0 HB2 ARG A 140 18.265 20.044 33.983 1.00 26.97 H new ATOM 0 HB3 ARG A 140 19.039 21.367 33.697 1.00 26.97 H new ATOM 0 HG2 ARG A 140 17.508 21.823 31.901 1.00 28.25 H new ATOM 0 HG3 ARG A 140 16.700 20.552 32.306 1.00 28.25 H new ATOM 0 HD2 ARG A 140 17.041 22.802 33.990 1.00 30.70 H new ATOM 0 HD3 ARG A 140 15.720 22.491 33.221 1.00 30.70 H new ATOM 0 HE ARG A 140 16.012 20.433 34.739 1.00 30.30 H new ATOM 0 HH11 ARG A 140 15.798 23.662 35.401 1.00 29.29 H new ATOM 0 HH12 ARG A 140 15.242 23.527 36.776 1.00 29.29 H new ATOM 0 HH21 ARG A 140 15.189 20.222 36.872 1.00 26.49 H new ATOM 0 HH22 ARG A 140 14.873 21.442 37.666 1.00 26.49 H new ATOM 1048 N ILE A 141 21.770 19.903 32.990 1.00 25.91 N ATOM 1049 CA ILE A 141 22.957 19.449 33.724 1.00 26.85 C ATOM 1050 C ILE A 141 23.393 20.620 34.617 1.00 28.20 C ATOM 1051 O ILE A 141 23.642 21.723 34.122 1.00 28.87 O ATOM 1052 CB ILE A 141 24.173 19.117 32.805 1.00 27.84 C ATOM 1053 CG1 ILE A 141 23.869 17.953 31.856 1.00 27.20 C ATOM 1054 CG2 ILE A 141 25.397 18.774 33.681 1.00 28.37 C ATOM 1055 CD1 ILE A 141 23.602 16.631 32.529 1.00 33.63 C ATOM 0 H ILE A 141 21.902 20.612 32.522 1.00 25.91 H new ATOM 0 HA ILE A 141 22.717 18.640 34.202 1.00 26.85 H new ATOM 0 HB ILE A 141 24.361 19.897 32.260 1.00 27.84 H new ATOM 0 HG12 ILE A 141 23.097 18.187 31.317 1.00 27.20 H new ATOM 0 HG13 ILE A 141 24.618 17.845 31.249 1.00 27.20 H new ATOM 0 HG21 ILE A 141 26.155 18.567 33.112 1.00 28.37 H new ATOM 0 HG22 ILE A 141 25.614 19.533 34.245 1.00 28.37 H new ATOM 0 HG23 ILE A 141 25.192 18.006 34.237 1.00 28.37 H new ATOM 0 HD11 ILE A 141 23.420 15.956 31.856 1.00 33.63 H new ATOM 0 HD12 ILE A 141 24.379 16.369 33.048 1.00 33.63 H new ATOM 0 HD13 ILE A 141 22.835 16.716 33.117 1.00 33.63 H new ATOM 1056 N ALA A 142 23.471 20.394 35.921 1.00 25.74 N ATOM 1057 CA ALA A 142 23.886 21.436 36.860 1.00 25.88 C ATOM 1058 C ALA A 142 25.191 21.002 37.534 1.00 28.81 C ATOM 1059 O ALA A 142 25.327 19.842 37.989 1.00 25.71 O ATOM 1060 CB ALA A 142 22.811 21.663 37.898 1.00 27.45 C ATOM 0 H ALA A 142 23.287 19.639 36.288 1.00 25.74 H new ATOM 0 HA ALA A 142 24.027 22.269 36.383 1.00 25.88 H new ATOM 0 HB1 ALA A 142 23.097 22.355 38.514 1.00 27.45 H new ATOM 0 HB2 ALA A 142 21.991 21.940 37.460 1.00 27.45 H new ATOM 0 HB3 ALA A 142 22.654 20.840 38.387 1.00 27.45 H new ATOM 1061 N LEU A 143 26.156 21.915 37.596 1.00 27.09 N ATOM 1062 CA LEU A 143 27.439 21.584 38.196 1.00 28.41 C ATOM 1063 C LEU A 143 27.533 22.073 39.630 1.00 30.01 C ATOM 1064 O LEU A 143 27.134 23.198 39.922 1.00 29.41 O ATOM 1065 CB LEU A 143 28.569 22.201 37.375 1.00 32.00 C ATOM 1066 CG LEU A 143 28.564 21.903 35.878 1.00 33.67 C ATOM 1067 CD1 LEU A 143 29.756 22.588 35.233 1.00 34.83 C ATOM 1068 CD2 LEU A 143 28.607 20.392 35.637 1.00 34.25 C ATOM 0 H LEU A 143 26.088 22.720 37.301 1.00 27.09 H new ATOM 0 HA LEU A 143 27.520 20.617 38.202 1.00 28.41 H new ATOM 0 HB2 LEU A 143 28.540 23.163 37.493 1.00 32.00 H new ATOM 0 HB3 LEU A 143 29.413 21.896 37.743 1.00 32.00 H new ATOM 0 HG LEU A 143 27.748 22.244 35.480 1.00 33.67 H new ATOM 0 HD11 LEU A 143 29.760 22.403 34.281 1.00 34.83 H new ATOM 0 HD12 LEU A 143 29.695 23.546 35.376 1.00 34.83 H new ATOM 0 HD13 LEU A 143 30.575 22.254 35.630 1.00 34.83 H new ATOM 0 HD21 LEU A 143 28.603 20.216 34.683 1.00 34.25 H new ATOM 0 HD22 LEU A 143 29.414 20.024 36.030 1.00 34.25 H new ATOM 0 HD23 LEU A 143 27.831 19.977 36.045 1.00 34.25 H new ATOM 1069 N GLY A 144 28.051 21.221 40.521 1.00 29.44 N ATOM 1070 CA GLY A 144 28.228 21.604 41.917 1.00 29.10 C ATOM 1071 C GLY A 144 26.977 21.906 42.725 1.00 29.92 C ATOM 1072 O GLY A 144 27.043 22.552 43.772 1.00 30.03 O ATOM 0 H GLY A 144 28.304 20.421 40.334 1.00 29.44 H new ATOM 0 HA2 GLY A 144 28.709 20.890 42.365 1.00 29.10 H new ATOM 0 HA3 GLY A 144 28.798 22.389 41.942 1.00 29.10 H new ATOM 1073 N GLY A 145 25.833 21.427 42.259 1.00 28.06 N ATOM 1074 CA GLY A 145 24.610 21.682 42.974 1.00 26.81 C ATOM 1075 C GLY A 145 23.459 20.920 42.368 1.00 29.08 C ATOM 1076 O GLY A 145 23.595 20.323 41.303 1.00 27.94 O ATOM 0 H GLY A 145 25.750 20.960 41.542 1.00 28.06 H new ATOM 0 HA2 GLY A 145 24.716 21.428 43.904 1.00 26.81 H new ATOM 0 HA3 GLY A 145 24.416 22.632 42.960 1.00 26.81 H new ATOM 1077 N LEU A 146 22.329 20.953 43.057 1.00 29.51 N ATOM 1078 CA LEU A 146 21.114 20.279 42.629 1.00 32.95 C ATOM 1079 C LEU A 146 20.126 21.312 42.138 1.00 33.76 C ATOM 1080 O LEU A 146 20.305 22.497 42.374 1.00 35.10 O ATOM 1081 CB LEU A 146 20.474 19.566 43.811 1.00 32.51 C ATOM 1082 CG LEU A 146 21.413 18.687 44.624 1.00 33.21 C ATOM 1083 CD1 LEU A 146 20.694 18.259 45.903 1.00 29.94 C ATOM 1084 CD2 LEU A 146 21.865 17.489 43.775 1.00 30.29 C ATOM 0 H LEU A 146 22.245 21.376 43.801 1.00 29.51 H new ATOM 0 HA LEU A 146 21.337 19.644 41.931 1.00 32.95 H new ATOM 0 HB2 LEU A 146 20.086 20.232 44.400 1.00 32.51 H new ATOM 0 HB3 LEU A 146 19.744 19.018 43.483 1.00 32.51 H new ATOM 0 HG LEU A 146 22.213 19.173 44.876 1.00 33.21 H new ATOM 0 HD11 LEU A 146 21.282 17.697 46.432 1.00 29.94 H new ATOM 0 HD12 LEU A 146 20.451 19.045 46.416 1.00 29.94 H new ATOM 0 HD13 LEU A 146 19.893 17.763 45.673 1.00 29.94 H new ATOM 0 HD21 LEU A 146 22.463 16.931 44.296 1.00 30.29 H new ATOM 0 HD22 LEU A 146 21.090 16.971 43.508 1.00 30.29 H new ATOM 0 HD23 LEU A 146 22.328 17.808 42.985 1.00 30.29 H new ATOM 1085 N LEU A 147 19.071 20.851 41.474 1.00 33.88 N ATOM 1086 CA LEU A 147 18.031 21.744 40.998 1.00 32.45 C ATOM 1087 C LEU A 147 16.771 21.542 41.835 1.00 34.59 C ATOM 1088 O LEU A 147 15.665 21.871 41.402 1.00 34.71 O ATOM 1089 CB LEU A 147 17.757 21.516 39.509 1.00 31.61 C ATOM 1090 CG LEU A 147 18.954 21.986 38.673 1.00 31.94 C ATOM 1091 CD1 LEU A 147 18.733 21.730 37.200 1.00 32.66 C ATOM 1092 CD2 LEU A 147 19.177 23.472 38.924 1.00 31.74 C ATOM 0 H LEU A 147 18.942 20.021 41.290 1.00 33.88 H new ATOM 0 HA LEU A 147 18.326 22.663 41.096 1.00 32.45 H new ATOM 0 HB2 LEU A 147 17.588 20.575 39.345 1.00 31.61 H new ATOM 0 HB3 LEU A 147 16.958 21.998 39.243 1.00 31.61 H new ATOM 0 HG LEU A 147 19.739 21.483 38.940 1.00 31.94 H new ATOM 0 HD11 LEU A 147 19.505 22.037 36.699 1.00 32.66 H new ATOM 0 HD12 LEU A 147 18.609 20.780 37.052 1.00 32.66 H new ATOM 0 HD13 LEU A 147 17.944 22.209 36.903 1.00 32.66 H new ATOM 0 HD21 LEU A 147 19.933 23.779 38.399 1.00 31.74 H new ATOM 0 HD22 LEU A 147 18.383 23.967 38.667 1.00 31.74 H new ATOM 0 HD23 LEU A 147 19.357 23.618 39.866 1.00 31.74 H new ATOM 1093 N PHE A 148 16.947 20.933 43.011 1.00 32.65 N ATOM 1094 CA PHE A 148 15.876 20.753 43.984 1.00 33.00 C ATOM 1095 C PHE A 148 16.534 20.644 45.364 1.00 33.02 C ATOM 1096 O PHE A 148 17.737 20.403 45.460 1.00 34.76 O ATOM 1097 CB PHE A 148 14.930 19.564 43.646 1.00 34.39 C ATOM 1098 CG PHE A 148 15.590 18.191 43.593 1.00 37.29 C ATOM 1099 CD1 PHE A 148 15.483 17.409 42.446 1.00 35.87 C ATOM 1100 CD2 PHE A 148 16.209 17.642 44.712 1.00 38.45 C ATOM 1101 CE1 PHE A 148 15.976 16.096 42.416 1.00 37.96 C ATOM 1102 CE2 PHE A 148 16.708 16.328 44.690 1.00 39.44 C ATOM 1103 CZ PHE A 148 16.587 15.560 43.541 1.00 36.85 C ATOM 0 H PHE A 148 17.703 20.610 43.265 1.00 32.65 H new ATOM 0 HA PHE A 148 15.279 21.517 43.967 1.00 33.00 H new ATOM 0 HB2 PHE A 148 14.220 19.539 44.307 1.00 34.39 H new ATOM 0 HB3 PHE A 148 14.513 19.738 42.788 1.00 34.39 H new ATOM 0 HD1 PHE A 148 15.078 17.763 41.687 1.00 35.87 H new ATOM 0 HD2 PHE A 148 16.294 18.152 45.485 1.00 38.45 H new ATOM 0 HE1 PHE A 148 15.894 15.585 41.643 1.00 37.96 H new ATOM 0 HE2 PHE A 148 17.119 15.974 45.445 1.00 39.44 H new ATOM 0 HZ PHE A 148 16.914 14.690 43.525 1.00 36.85 H new ATOM 1104 N PRO A 149 15.781 20.878 46.446 1.00 33.17 N ATOM 1105 CA PRO A 149 16.375 20.793 47.793 1.00 32.56 C ATOM 1106 C PRO A 149 17.119 19.474 48.060 1.00 32.92 C ATOM 1107 O PRO A 149 16.683 18.419 47.609 1.00 31.14 O ATOM 1108 CB PRO A 149 15.171 20.955 48.715 1.00 32.32 C ATOM 1109 CG PRO A 149 14.238 21.816 47.913 1.00 33.41 C ATOM 1110 CD PRO A 149 14.348 21.212 46.520 1.00 33.15 C ATOM 0 HA PRO A 149 17.062 21.466 47.924 1.00 32.56 H new ATOM 0 HB2 PRO A 149 14.770 20.099 48.934 1.00 32.32 H new ATOM 0 HB3 PRO A 149 15.416 21.377 49.554 1.00 32.32 H new ATOM 0 HG2 PRO A 149 13.330 21.778 48.252 1.00 33.41 H new ATOM 0 HG3 PRO A 149 14.507 22.748 47.925 1.00 33.41 H new ATOM 0 HD2 PRO A 149 13.786 20.428 46.418 1.00 33.15 H new ATOM 0 HD3 PRO A 149 14.085 21.840 45.829 1.00 33.15 H new ATOM 1111 N ALA A 150 18.224 19.534 48.805 1.00 31.91 N ATOM 1112 CA ALA A 150 18.995 18.320 49.110 1.00 34.75 C ATOM 1113 C ALA A 150 18.150 17.294 49.856 1.00 36.34 C ATOM 1114 O ALA A 150 18.353 16.086 49.722 1.00 36.03 O ATOM 1115 CB ALA A 150 20.241 18.666 49.930 1.00 32.08 C ATOM 0 H ALA A 150 18.544 20.258 49.141 1.00 31.91 H new ATOM 0 HA ALA A 150 19.269 17.929 48.266 1.00 34.75 H new ATOM 0 HB1 ALA A 150 20.737 17.855 50.122 1.00 32.08 H new ATOM 0 HB2 ALA A 150 20.802 19.276 49.425 1.00 32.08 H new ATOM 0 HB3 ALA A 150 19.974 19.086 50.762 1.00 32.08 H new ATOM 1116 N SER A 151 17.212 17.796 50.653 1.00 38.05 N ATOM 1117 CA SER A 151 16.294 16.975 51.425 1.00 39.96 C ATOM 1118 C SER A 151 15.454 16.107 50.507 1.00 39.78 C ATOM 1119 O SER A 151 14.847 15.142 50.956 1.00 42.29 O ATOM 1120 CB SER A 151 15.341 17.868 52.215 1.00 44.21 C ATOM 1121 OG SER A 151 14.447 18.528 51.326 1.00 45.12 O ATOM 0 H SER A 151 17.091 18.641 50.760 1.00 38.05 H new ATOM 0 HA SER A 151 16.820 16.419 52.021 1.00 39.96 H new ATOM 0 HB2 SER A 151 14.841 17.336 52.853 1.00 44.21 H new ATOM 0 HB3 SER A 151 15.845 18.522 52.724 1.00 44.21 H new ATOM 0 HG SER A 151 13.924 19.017 51.766 1.00 45.12 H new ATOM 1122 N ASN A 152 15.402 16.463 49.228 1.00 39.50 N ATOM 1123 CA ASN A 152 14.621 15.718 48.242 1.00 39.18 C ATOM 1124 C ASN A 152 15.383 14.553 47.615 1.00 36.53 C ATOM 1125 O ASN A 152 14.835 13.800 46.802 1.00 37.46 O ATOM 1126 CB ASN A 152 14.155 16.656 47.130 1.00 43.69 C ATOM 1127 CG ASN A 152 12.864 17.375 47.474 1.00 47.69 C ATOM 1128 OD1 ASN A 152 12.966 18.665 47.777 1.00 50.30 O flip ATOM 1129 ND2 ASN A 152 11.787 16.775 47.470 1.00 50.89 N flip ATOM 0 H ASN A 152 15.818 17.143 48.906 1.00 39.50 H new ATOM 0 HA ASN A 152 13.866 15.344 48.723 1.00 39.18 H new ATOM 0 HB2 ASN A 152 14.848 17.311 46.953 1.00 43.69 H new ATOM 0 HB3 ASN A 152 14.030 16.147 46.314 1.00 43.69 H new ATOM 0 HD21 ASN A 152 11.761 15.939 47.268 1.00 50.89 H new ATOM 0 HD22 ASN A 152 11.062 17.192 47.669 1.00 50.89 H new ATOM 1130 N LEU A 153 16.658 14.431 47.954 1.00 31.62 N ATOM 1131 CA LEU A 153 17.476 13.340 47.443 1.00 27.70 C ATOM 1132 C LEU A 153 16.966 12.037 48.059 1.00 25.80 C ATOM 1133 O LEU A 153 16.299 12.051 49.097 1.00 22.43 O ATOM 1134 CB LEU A 153 18.936 13.549 47.860 1.00 23.77 C ATOM 1135 CG LEU A 153 19.716 14.610 47.074 1.00 26.18 C ATOM 1136 CD1 LEU A 153 21.091 14.838 47.707 1.00 24.29 C ATOM 1137 CD2 LEU A 153 19.871 14.142 45.622 1.00 26.93 C ATOM 0 H LEU A 153 17.071 14.971 48.481 1.00 31.62 H new ATOM 0 HA LEU A 153 17.422 13.309 46.475 1.00 27.70 H new ATOM 0 HB2 LEU A 153 18.954 13.790 48.799 1.00 23.77 H new ATOM 0 HB3 LEU A 153 19.402 12.702 47.776 1.00 23.77 H new ATOM 0 HG LEU A 153 19.230 15.449 47.095 1.00 26.18 H new ATOM 0 HD11 LEU A 153 21.573 15.510 47.201 1.00 24.29 H new ATOM 0 HD12 LEU A 153 20.980 15.141 48.622 1.00 24.29 H new ATOM 0 HD13 LEU A 153 21.592 14.008 47.700 1.00 24.29 H new ATOM 0 HD21 LEU A 153 20.364 14.808 45.118 1.00 26.93 H new ATOM 0 HD22 LEU A 153 20.353 13.301 45.603 1.00 26.93 H new ATOM 0 HD23 LEU A 153 18.994 14.021 45.226 1.00 26.93 H new ATOM 1138 N ARG A 154 17.269 10.905 47.434 1.00 26.06 N ATOM 1139 CA ARG A 154 16.853 9.645 48.045 1.00 26.85 C ATOM 1140 C ARG A 154 17.575 9.557 49.395 1.00 25.72 C ATOM 1141 O ARG A 154 17.016 9.117 50.387 1.00 27.40 O ATOM 1142 CB ARG A 154 17.248 8.468 47.166 1.00 25.70 C ATOM 1143 CG ARG A 154 16.279 8.246 46.021 1.00 27.56 C ATOM 1144 CD ARG A 154 16.901 7.305 45.031 1.00 24.62 C ATOM 1145 NE ARG A 154 17.468 6.148 45.713 1.00 25.40 N ATOM 1146 CZ ARG A 154 16.766 5.100 46.128 1.00 23.26 C ATOM 1147 NH1 ARG A 154 17.389 4.103 46.736 1.00 25.80 N ATOM 1148 NH2 ARG A 154 15.454 5.047 45.927 1.00 26.69 N ATOM 0 H ARG A 154 17.695 10.841 46.690 1.00 26.06 H new ATOM 0 HA ARG A 154 15.890 9.615 48.155 1.00 26.85 H new ATOM 0 HB2 ARG A 154 18.137 8.619 46.808 1.00 25.70 H new ATOM 0 HB3 ARG A 154 17.293 7.665 47.708 1.00 25.70 H new ATOM 0 HG2 ARG A 154 15.445 7.879 46.354 1.00 27.56 H new ATOM 0 HG3 ARG A 154 16.067 9.090 45.593 1.00 27.56 H new ATOM 0 HD2 ARG A 154 16.234 7.014 44.390 1.00 24.62 H new ATOM 0 HD3 ARG A 154 17.594 7.764 44.531 1.00 24.62 H new ATOM 0 HE ARG A 154 18.316 6.144 45.857 1.00 25.40 H new ATOM 0 HH11 ARG A 154 18.239 4.138 46.859 1.00 25.80 H new ATOM 0 HH12 ARG A 154 16.943 3.420 47.009 1.00 25.80 H new ATOM 0 HH21 ARG A 154 15.054 5.694 45.526 1.00 26.69 H new ATOM 0 HH22 ARG A 154 15.005 4.366 46.198 1.00 26.69 H new ATOM 1149 N LEU A 155 18.832 9.994 49.408 1.00 26.26 N ATOM 1150 CA LEU A 155 19.641 9.997 50.612 1.00 24.66 C ATOM 1151 C LEU A 155 20.318 11.369 50.649 1.00 24.29 C ATOM 1152 O LEU A 155 21.252 11.650 49.893 1.00 22.72 O ATOM 1153 CB LEU A 155 20.707 8.879 50.570 1.00 25.61 C ATOM 1154 CG LEU A 155 21.587 8.789 51.835 1.00 25.67 C ATOM 1155 CD1 LEU A 155 20.718 8.441 53.030 1.00 29.61 C ATOM 1156 CD2 LEU A 155 22.695 7.756 51.666 1.00 26.98 C ATOM 0 H LEU A 155 19.237 10.298 48.713 1.00 26.26 H new ATOM 0 HA LEU A 155 19.098 9.835 51.399 1.00 24.66 H new ATOM 0 HB2 LEU A 155 20.262 8.027 50.438 1.00 25.61 H new ATOM 0 HB3 LEU A 155 21.280 9.022 49.800 1.00 25.61 H new ATOM 0 HG LEU A 155 22.009 9.650 51.980 1.00 25.67 H new ATOM 0 HD11 LEU A 155 21.270 8.384 53.826 1.00 29.61 H new ATOM 0 HD12 LEU A 155 20.045 9.129 53.152 1.00 29.61 H new ATOM 0 HD13 LEU A 155 20.283 7.587 52.877 1.00 29.61 H new ATOM 0 HD21 LEU A 155 23.231 7.721 52.474 1.00 26.98 H new ATOM 0 HD22 LEU A 155 22.303 6.884 51.501 1.00 26.98 H new ATOM 0 HD23 LEU A 155 23.258 8.004 50.916 1.00 26.98 H new ATOM 1157 N PRO A 156 19.833 12.250 51.523 1.00 23.75 N ATOM 1158 CA PRO A 156 20.413 13.581 51.626 1.00 25.25 C ATOM 1159 C PRO A 156 21.905 13.584 51.940 1.00 25.53 C ATOM 1160 O PRO A 156 22.424 12.680 52.615 1.00 25.98 O ATOM 1161 CB PRO A 156 19.612 14.215 52.770 1.00 25.99 C ATOM 1162 CG PRO A 156 18.255 13.605 52.602 1.00 26.56 C ATOM 1163 CD PRO A 156 18.616 12.137 52.347 1.00 23.91 C ATOM 0 HA PRO A 156 20.358 14.058 50.783 1.00 25.25 H new ATOM 0 HB2 PRO A 156 19.995 14.007 53.636 1.00 25.99 H new ATOM 0 HB3 PRO A 156 19.584 15.182 52.697 1.00 25.99 H new ATOM 0 HG2 PRO A 156 17.704 13.714 53.393 1.00 26.56 H new ATOM 0 HG3 PRO A 156 17.767 13.996 51.860 1.00 26.56 H new ATOM 0 HD2 PRO A 156 18.782 11.657 53.173 1.00 23.91 H new ATOM 0 HD3 PRO A 156 17.907 11.666 51.882 1.00 23.91 H new ATOM 1164 N LEU A 157 22.582 14.601 51.427 1.00 24.71 N ATOM 1165 CA LEU A 157 23.982 14.850 51.736 1.00 27.19 C ATOM 1166 C LEU A 157 24.073 16.379 51.640 1.00 28.06 C ATOM 1167 O LEU A 157 23.114 17.023 51.197 1.00 26.67 O ATOM 1168 CB LEU A 157 24.945 14.170 50.744 1.00 27.63 C ATOM 1169 CG LEU A 157 24.760 14.283 49.221 1.00 29.08 C ATOM 1170 CD1 LEU A 157 24.602 15.746 48.776 1.00 32.07 C ATOM 1171 CD2 LEU A 157 25.984 13.659 48.539 1.00 31.10 C ATOM 0 H LEU A 157 22.238 15.172 50.884 1.00 24.71 H new ATOM 0 HA LEU A 157 24.243 14.490 52.598 1.00 27.19 H new ATOM 0 HB2 LEU A 157 25.834 14.504 50.943 1.00 27.63 H new ATOM 0 HB3 LEU A 157 24.943 13.224 50.957 1.00 27.63 H new ATOM 0 HG LEU A 157 23.950 13.815 48.967 1.00 29.08 H new ATOM 0 HD11 LEU A 157 24.488 15.781 47.813 1.00 32.07 H new ATOM 0 HD12 LEU A 157 23.825 16.134 49.208 1.00 32.07 H new ATOM 0 HD13 LEU A 157 25.394 16.248 49.026 1.00 32.07 H new ATOM 0 HD21 LEU A 157 25.885 13.721 47.576 1.00 31.10 H new ATOM 0 HD22 LEU A 157 26.784 14.134 48.813 1.00 31.10 H new ATOM 0 HD23 LEU A 157 26.058 12.727 48.796 1.00 31.10 H new ATOM 1172 N VAL A 158 25.189 16.957 52.069 1.00 27.30 N ATOM 1173 CA VAL A 158 25.364 18.409 51.988 1.00 28.61 C ATOM 1174 C VAL A 158 26.025 18.632 50.632 1.00 27.72 C ATOM 1175 O VAL A 158 27.170 18.243 50.414 1.00 27.93 O ATOM 1176 CB VAL A 158 26.242 18.937 53.139 1.00 29.56 C ATOM 1177 CG1 VAL A 158 26.382 20.462 53.028 1.00 32.21 C ATOM 1178 CG2 VAL A 158 25.617 18.548 54.486 1.00 32.88 C ATOM 0 H VAL A 158 25.855 16.532 52.409 1.00 27.30 H new ATOM 0 HA VAL A 158 24.524 18.887 52.071 1.00 28.61 H new ATOM 0 HB VAL A 158 27.126 18.541 53.081 1.00 29.56 H new ATOM 0 HG11 VAL A 158 26.935 20.790 53.754 1.00 32.21 H new ATOM 0 HG12 VAL A 158 26.795 20.688 52.180 1.00 32.21 H new ATOM 0 HG13 VAL A 158 25.505 20.872 53.080 1.00 32.21 H new ATOM 0 HG21 VAL A 158 26.172 18.881 55.209 1.00 32.88 H new ATOM 0 HG22 VAL A 158 24.730 18.934 54.555 1.00 32.88 H new ATOM 0 HG23 VAL A 158 25.554 17.582 54.547 1.00 32.88 H new ATOM 1179 N PRO A 159 25.298 19.271 49.698 1.00 28.85 N ATOM 1180 CA PRO A 159 25.758 19.547 48.329 1.00 29.45 C ATOM 1181 C PRO A 159 27.060 20.292 48.084 1.00 29.97 C ATOM 1182 O PRO A 159 27.764 19.989 47.131 1.00 28.34 O ATOM 1183 CB PRO A 159 24.539 20.230 47.681 1.00 30.80 C ATOM 1184 CG PRO A 159 23.880 20.931 48.844 1.00 32.78 C ATOM 1185 CD PRO A 159 24.003 19.928 49.976 1.00 29.70 C ATOM 0 HA PRO A 159 26.037 18.706 47.935 1.00 29.45 H new ATOM 0 HB2 PRO A 159 24.804 20.856 46.989 1.00 30.80 H new ATOM 0 HB3 PRO A 159 23.944 19.585 47.267 1.00 30.80 H new ATOM 0 HG2 PRO A 159 24.325 21.766 49.057 1.00 32.78 H new ATOM 0 HG3 PRO A 159 22.953 21.144 48.654 1.00 32.78 H new ATOM 0 HD2 PRO A 159 24.000 20.363 50.843 1.00 29.70 H new ATOM 0 HD3 PRO A 159 23.270 19.293 49.974 1.00 29.70 H new ATOM 1186 N ALA A 160 27.407 21.237 48.952 1.00 31.17 N ATOM 1187 CA ALA A 160 28.633 22.003 48.752 1.00 32.20 C ATOM 1188 C ALA A 160 29.876 21.131 48.575 1.00 31.75 C ATOM 1189 O ALA A 160 30.245 20.347 49.447 1.00 30.88 O ATOM 1190 CB ALA A 160 28.842 22.996 49.922 1.00 31.10 C ATOM 0 H ALA A 160 26.955 21.448 49.652 1.00 31.17 H new ATOM 0 HA ALA A 160 28.517 22.489 47.921 1.00 32.20 H new ATOM 0 HB1 ALA A 160 29.659 23.499 49.778 1.00 31.10 H new ATOM 0 HB2 ALA A 160 28.090 23.607 49.966 1.00 31.10 H new ATOM 0 HB3 ALA A 160 28.908 22.505 50.756 1.00 31.10 H new ATOM 1191 N LEU A 161 30.514 21.251 47.423 1.00 32.19 N ATOM 1192 CA LEU A 161 31.733 20.498 47.191 1.00 34.64 C ATOM 1193 C LEU A 161 32.872 21.479 46.917 1.00 35.56 C ATOM 1194 O LEU A 161 32.903 22.148 45.883 1.00 35.94 O ATOM 1195 CB LEU A 161 31.585 19.530 46.016 1.00 34.55 C ATOM 1196 CG LEU A 161 32.834 18.656 45.834 1.00 35.03 C ATOM 1197 CD1 LEU A 161 32.971 17.707 47.021 1.00 37.34 C ATOM 1198 CD2 LEU A 161 32.734 17.871 44.536 1.00 37.01 C ATOM 0 H LEU A 161 30.264 21.754 46.772 1.00 32.19 H new ATOM 0 HA LEU A 161 31.925 19.969 47.981 1.00 34.64 H new ATOM 0 HB2 LEU A 161 30.812 18.962 46.160 1.00 34.55 H new ATOM 0 HB3 LEU A 161 31.421 20.032 45.202 1.00 34.55 H new ATOM 0 HG LEU A 161 33.620 19.223 45.792 1.00 35.03 H new ATOM 0 HD11 LEU A 161 33.760 17.155 46.905 1.00 37.34 H new ATOM 0 HD12 LEU A 161 33.054 18.222 47.839 1.00 37.34 H new ATOM 0 HD13 LEU A 161 32.186 17.140 47.075 1.00 37.34 H new ATOM 0 HD21 LEU A 161 33.526 17.322 44.428 1.00 37.01 H new ATOM 0 HD22 LEU A 161 31.948 17.303 44.561 1.00 37.01 H new ATOM 0 HD23 LEU A 161 32.664 18.487 43.790 1.00 37.01 H new ATOM 1199 N ASP A 162 33.796 21.560 47.868 1.00 35.81 N ATOM 1200 CA ASP A 162 34.949 22.445 47.763 1.00 36.10 C ATOM 1201 C ASP A 162 36.009 21.783 46.898 1.00 35.44 C ATOM 1202 O ASP A 162 36.911 21.112 47.396 1.00 35.89 O ATOM 1203 CB ASP A 162 35.517 22.714 49.156 1.00 39.94 C ATOM 1204 CG ASP A 162 36.504 23.872 49.176 1.00 43.06 C ATOM 1205 OD1 ASP A 162 37.102 24.180 48.120 1.00 43.63 O ATOM 1206 OD2 ASP A 162 36.687 24.465 50.261 1.00 45.92 O ATOM 0 H ASP A 162 33.771 21.101 48.595 1.00 35.81 H new ATOM 0 HA ASP A 162 34.679 23.286 47.361 1.00 36.10 H new ATOM 0 HB2 ASP A 162 34.788 22.905 49.767 1.00 39.94 H new ATOM 0 HB3 ASP A 162 35.957 21.913 49.481 1.00 39.94 H new ATOM 1207 N GLY A 163 35.900 21.962 45.594 1.00 34.99 N ATOM 1208 CA GLY A 163 36.865 21.350 44.706 1.00 37.37 C ATOM 1209 C GLY A 163 36.987 22.087 43.393 1.00 38.31 C ATOM 1210 O GLY A 163 36.294 23.075 43.139 1.00 37.32 O ATOM 0 H GLY A 163 35.286 22.425 45.209 1.00 34.99 H new ATOM 0 HA2 GLY A 163 37.731 21.325 45.142 1.00 37.37 H new ATOM 0 HA3 GLY A 163 36.606 20.431 44.535 1.00 37.37 H new ATOM 1211 N CYS A 164 37.870 21.593 42.544 1.00 40.21 N ATOM 1212 CA CYS A 164 38.092 22.218 41.259 1.00 41.70 C ATOM 1213 C CYS A 164 37.727 21.298 40.120 1.00 40.39 C ATOM 1214 O CYS A 164 37.873 20.077 40.198 1.00 39.65 O ATOM 1215 CB CYS A 164 39.548 22.686 41.163 1.00 46.79 C ATOM 1216 SG CYS A 164 39.871 23.998 42.389 1.00 56.71 S ATOM 0 H CYS A 164 38.351 20.896 42.694 1.00 40.21 H new ATOM 0 HA CYS A 164 37.510 22.990 41.184 1.00 41.70 H new ATOM 0 HB2 CYS A 164 40.146 21.938 41.315 1.00 46.79 H new ATOM 0 HB3 CYS A 164 39.730 23.017 40.270 1.00 46.79 H new ATOM 1217 N LEU A 165 37.244 21.916 39.054 1.00 38.72 N ATOM 1218 CA LEU A 165 36.808 21.218 37.874 1.00 36.77 C ATOM 1219 C LEU A 165 37.533 21.792 36.667 1.00 37.40 C ATOM 1220 O LEU A 165 37.730 23.011 36.574 1.00 37.71 O ATOM 1221 CB LEU A 165 35.300 21.431 37.733 1.00 36.38 C ATOM 1222 CG LEU A 165 34.578 20.733 36.591 1.00 38.94 C ATOM 1223 CD1 LEU A 165 34.339 19.284 36.953 1.00 38.68 C ATOM 1224 CD2 LEU A 165 33.252 21.434 36.334 1.00 40.85 C ATOM 0 H LEU A 165 37.161 22.770 39.001 1.00 38.72 H new ATOM 0 HA LEU A 165 37.003 20.270 37.936 1.00 36.77 H new ATOM 0 HB2 LEU A 165 34.883 21.151 38.562 1.00 36.38 H new ATOM 0 HB3 LEU A 165 35.143 22.384 37.644 1.00 36.38 H new ATOM 0 HG LEU A 165 35.120 20.771 35.788 1.00 38.94 H new ATOM 0 HD11 LEU A 165 33.878 18.840 36.224 1.00 38.68 H new ATOM 0 HD12 LEU A 165 35.189 18.846 37.113 1.00 38.68 H new ATOM 0 HD13 LEU A 165 33.796 19.236 37.755 1.00 38.68 H new ATOM 0 HD21 LEU A 165 32.788 20.992 35.606 1.00 40.85 H new ATOM 0 HD22 LEU A 165 32.706 21.397 37.135 1.00 40.85 H new ATOM 0 HD23 LEU A 165 33.416 22.360 36.097 1.00 40.85 H new ATOM 1225 N ARG A 166 37.939 20.927 35.748 1.00 35.93 N ATOM 1226 CA ARG A 166 38.608 21.382 34.546 1.00 37.51 C ATOM 1227 C ARG A 166 38.443 20.338 33.452 1.00 36.79 C ATOM 1228 O ARG A 166 38.002 19.221 33.718 1.00 35.88 O ATOM 1229 CB ARG A 166 40.103 21.651 34.819 1.00 38.92 C ATOM 1230 CG ARG A 166 40.988 20.411 34.884 1.00 38.94 C ATOM 1231 CD ARG A 166 42.450 20.768 35.184 1.00 41.20 C ATOM 1232 NE ARG A 166 43.299 19.581 35.132 1.00 42.01 N ATOM 1233 CZ ARG A 166 44.606 19.567 35.372 1.00 42.10 C ATOM 1234 NH1 ARG A 166 45.237 20.686 35.691 1.00 43.46 N ATOM 1235 NH2 ARG A 166 45.285 18.429 35.274 1.00 42.17 N ATOM 0 H ARG A 166 37.836 20.075 35.803 1.00 35.93 H new ATOM 0 HA ARG A 166 38.206 22.216 34.256 1.00 37.51 H new ATOM 0 HB2 ARG A 166 40.443 22.237 34.124 1.00 38.92 H new ATOM 0 HB3 ARG A 166 40.182 22.131 35.658 1.00 38.92 H new ATOM 0 HG2 ARG A 166 40.654 19.811 35.570 1.00 38.94 H new ATOM 0 HG3 ARG A 166 40.938 19.934 34.041 1.00 38.94 H new ATOM 0 HD2 ARG A 166 42.765 21.423 34.542 1.00 41.20 H new ATOM 0 HD3 ARG A 166 42.513 21.177 36.061 1.00 41.20 H new ATOM 0 HE ARG A 166 42.924 18.834 34.931 1.00 42.01 H new ATOM 0 HH11 ARG A 166 44.801 21.425 35.744 1.00 43.46 H new ATOM 0 HH12 ARG A 166 46.083 20.674 35.846 1.00 43.46 H new ATOM 0 HH21 ARG A 166 44.879 17.703 35.056 1.00 42.17 H new ATOM 0 HH22 ARG A 166 46.131 18.418 35.429 1.00 42.17 H new ATOM 1236 N ARG A 167 38.778 20.719 32.222 1.00 36.97 N ATOM 1237 CA ARG A 167 38.687 19.830 31.061 1.00 38.68 C ATOM 1238 C ARG A 167 37.354 19.092 30.978 1.00 38.86 C ATOM 1239 O ARG A 167 37.316 17.899 30.661 1.00 37.69 O ATOM 1240 CB ARG A 167 39.811 18.798 31.100 1.00 41.76 C ATOM 1241 CG ARG A 167 41.214 19.390 31.114 1.00 48.53 C ATOM 1242 CD ARG A 167 42.231 18.300 30.829 1.00 52.21 C ATOM 1243 NE ARG A 167 42.022 17.729 29.500 1.00 57.02 N ATOM 1244 CZ ARG A 167 42.359 16.490 29.151 1.00 59.43 C ATOM 1245 NH1 ARG A 167 42.922 15.674 30.037 1.00 61.42 N ATOM 1246 NH2 ARG A 167 42.137 16.065 27.914 1.00 59.52 N ATOM 0 H ARG A 167 39.067 21.507 32.034 1.00 36.97 H new ATOM 0 HA ARG A 167 38.764 20.397 30.278 1.00 38.68 H new ATOM 0 HB2 ARG A 167 39.698 18.244 31.888 1.00 41.76 H new ATOM 0 HB3 ARG A 167 39.726 18.215 30.329 1.00 41.76 H new ATOM 0 HG2 ARG A 167 41.285 20.093 30.449 1.00 48.53 H new ATOM 0 HG3 ARG A 167 41.395 19.796 31.976 1.00 48.53 H new ATOM 0 HD2 ARG A 167 43.128 18.664 30.892 1.00 52.21 H new ATOM 0 HD3 ARG A 167 42.161 17.603 31.500 1.00 52.21 H new ATOM 0 HE ARG A 167 41.656 18.228 28.903 1.00 57.02 H new ATOM 0 HH11 ARG A 167 43.070 15.946 30.839 1.00 61.42 H new ATOM 0 HH12 ARG A 167 43.138 14.874 29.808 1.00 61.42 H new ATOM 0 HH21 ARG A 167 41.775 16.590 27.337 1.00 59.52 H new ATOM 0 HH22 ARG A 167 42.355 15.264 27.689 1.00 59.52 H new ATOM 1247 N ASP A 168 36.267 19.805 31.248 1.00 37.03 N ATOM 1248 CA ASP A 168 34.938 19.214 31.222 1.00 37.22 C ATOM 1249 C ASP A 168 34.286 19.261 29.845 1.00 38.16 C ATOM 1250 O ASP A 168 34.414 20.237 29.094 1.00 39.45 O ATOM 1251 CB ASP A 168 34.032 19.930 32.211 1.00 38.19 C ATOM 1252 CG ASP A 168 34.027 21.431 31.996 1.00 37.99 C ATOM 1253 OD1 ASP A 168 33.014 22.085 32.294 1.00 36.97 O ATOM 1254 OD2 ASP A 168 35.058 21.953 31.534 1.00 41.50 O ATOM 0 H ASP A 168 36.280 20.641 31.450 1.00 37.03 H new ATOM 0 HA ASP A 168 35.051 18.281 31.463 1.00 37.22 H new ATOM 0 HB2 ASP A 168 33.128 19.589 32.125 1.00 38.19 H new ATOM 0 HB3 ASP A 168 34.324 19.735 33.115 1.00 38.19 H new ATOM 1255 N SER A 169 33.568 18.196 29.541 1.00 36.94 N ATOM 1256 CA SER A 169 32.859 18.041 28.283 1.00 35.51 C ATOM 1257 C SER A 169 31.514 17.443 28.685 1.00 35.77 C ATOM 1258 O SER A 169 31.463 16.393 29.337 1.00 33.62 O ATOM 1259 CB SER A 169 33.634 17.078 27.380 1.00 34.80 C ATOM 1260 OG SER A 169 32.962 16.905 26.148 1.00 38.36 O ATOM 0 H SER A 169 33.476 17.526 30.072 1.00 36.94 H new ATOM 0 HA SER A 169 32.756 18.872 27.793 1.00 35.51 H new ATOM 0 HB2 SER A 169 34.527 17.422 27.222 1.00 34.80 H new ATOM 0 HB3 SER A 169 33.735 16.221 27.823 1.00 34.80 H new ATOM 0 HG SER A 169 33.398 16.376 25.662 1.00 38.36 H new ATOM 1261 N TRP A 170 30.424 18.102 28.308 1.00 35.57 N ATOM 1262 CA TRP A 170 29.102 17.636 28.698 1.00 35.56 C ATOM 1263 C TRP A 170 28.205 17.210 27.539 1.00 38.37 C ATOM 1264 O TRP A 170 27.839 18.022 26.690 1.00 37.42 O ATOM 1265 CB TRP A 170 28.422 18.725 29.538 1.00 32.74 C ATOM 1266 CG TRP A 170 29.269 19.141 30.709 1.00 31.15 C ATOM 1267 CD1 TRP A 170 30.150 20.187 30.762 1.00 30.89 C ATOM 1268 CD2 TRP A 170 29.417 18.433 31.949 1.00 29.82 C ATOM 1269 NE1 TRP A 170 30.843 20.168 31.955 1.00 32.24 N ATOM 1270 CE2 TRP A 170 30.412 19.101 32.700 1.00 31.57 C ATOM 1271 CE3 TRP A 170 28.806 17.298 32.495 1.00 27.88 C ATOM 1272 CZ2 TRP A 170 30.813 18.666 33.968 1.00 27.75 C ATOM 1273 CZ3 TRP A 170 29.204 16.867 33.756 1.00 29.98 C ATOM 1274 CH2 TRP A 170 30.198 17.551 34.476 1.00 29.27 C ATOM 0 H TRP A 170 30.429 18.816 27.829 1.00 35.57 H new ATOM 0 HA TRP A 170 29.234 16.826 29.216 1.00 35.56 H new ATOM 0 HB2 TRP A 170 28.241 19.497 28.980 1.00 32.74 H new ATOM 0 HB3 TRP A 170 27.566 18.399 29.858 1.00 32.74 H new ATOM 0 HD1 TRP A 170 30.265 20.820 30.090 1.00 30.89 H new ATOM 0 HE1 TRP A 170 31.446 20.733 32.192 1.00 32.24 H new ATOM 0 HE3 TRP A 170 28.147 16.841 32.024 1.00 27.88 H new ATOM 0 HZ2 TRP A 170 31.471 19.116 34.447 1.00 27.75 H new ATOM 0 HZ3 TRP A 170 28.806 16.114 34.129 1.00 29.98 H new ATOM 0 HH2 TRP A 170 30.445 17.240 35.317 1.00 29.27 H new ATOM 1275 N LEU A 171 27.864 15.924 27.504 1.00 39.92 N ATOM 1276 CA LEU A 171 27.005 15.384 26.450 1.00 43.34 C ATOM 1277 C LEU A 171 27.437 15.832 25.056 1.00 46.20 C ATOM 1278 O LEU A 171 28.603 15.721 24.681 1.00 46.09 O ATOM 1279 CB LEU A 171 25.555 15.814 26.689 1.00 42.81 C ATOM 1280 CG LEU A 171 24.855 15.210 27.900 1.00 43.54 C ATOM 1281 CD1 LEU A 171 23.811 16.177 28.442 1.00 45.22 C ATOM 1282 CD2 LEU A 171 24.243 13.876 27.504 1.00 43.03 C ATOM 0 H LEU A 171 28.121 15.344 28.084 1.00 39.92 H new ATOM 0 HA LEU A 171 27.084 14.418 26.487 1.00 43.34 H new ATOM 0 HB2 LEU A 171 25.536 16.780 26.778 1.00 42.81 H new ATOM 0 HB3 LEU A 171 25.039 15.592 25.898 1.00 42.81 H new ATOM 0 HG LEU A 171 25.495 15.053 28.612 1.00 43.54 H new ATOM 0 HD11 LEU A 171 23.373 15.782 29.212 1.00 45.22 H new ATOM 0 HD12 LEU A 171 24.242 17.005 28.706 1.00 45.22 H new ATOM 0 HD13 LEU A 171 23.152 16.361 27.754 1.00 45.22 H new ATOM 0 HD21 LEU A 171 23.795 13.485 28.270 1.00 43.03 H new ATOM 0 HD22 LEU A 171 23.601 14.014 26.790 1.00 43.03 H new ATOM 0 HD23 LEU A 171 24.942 13.277 27.198 1.00 43.03 H new ATOM 1283 N ASP A 172 26.481 16.350 24.292 1.00 49.27 N ATOM 1284 CA ASP A 172 26.757 16.801 22.939 1.00 52.74 C ATOM 1285 C ASP A 172 26.565 18.312 22.832 1.00 52.04 C ATOM 1286 O ASP A 172 25.443 18.810 22.892 1.00 51.33 O ATOM 1287 CB ASP A 172 25.826 16.088 21.953 1.00 56.65 C ATOM 1288 CG ASP A 172 26.249 16.284 20.515 1.00 60.45 C ATOM 1289 OD1 ASP A 172 27.225 15.626 20.093 1.00 63.06 O ATOM 1290 OD2 ASP A 172 25.617 17.104 19.813 1.00 62.99 O ATOM 0 H ASP A 172 25.664 16.448 24.542 1.00 49.27 H new ATOM 0 HA ASP A 172 27.678 16.588 22.722 1.00 52.74 H new ATOM 0 HB2 ASP A 172 25.809 15.140 22.156 1.00 56.65 H new ATOM 0 HB3 ASP A 172 24.922 16.419 22.069 1.00 56.65 H new ATOM 1291 N LYS A 173 27.672 19.031 22.681 1.00 52.80 N ATOM 1292 CA LYS A 173 27.653 20.487 22.566 1.00 53.11 C ATOM 1293 C LYS A 173 26.700 20.961 21.463 1.00 52.83 C ATOM 1294 O LYS A 173 25.993 21.964 21.610 1.00 51.66 O ATOM 1295 CB LYS A 173 29.070 20.987 22.286 1.00 54.72 C ATOM 1296 CG LYS A 173 29.252 22.494 22.415 1.00 57.60 C ATOM 1297 CD LYS A 173 28.987 22.968 23.835 1.00 57.93 C ATOM 1298 CE LYS A 173 29.341 24.439 24.003 1.00 59.48 C ATOM 1299 NZ LYS A 173 29.142 24.902 25.407 1.00 59.43 N ATOM 0 H LYS A 173 28.459 18.687 22.642 1.00 52.80 H new ATOM 0 HA LYS A 173 27.329 20.853 23.404 1.00 53.11 H new ATOM 0 HB2 LYS A 173 29.682 20.546 22.897 1.00 54.72 H new ATOM 0 HB3 LYS A 173 29.323 20.719 21.389 1.00 54.72 H new ATOM 0 HG2 LYS A 173 30.155 22.735 22.155 1.00 57.60 H new ATOM 0 HG3 LYS A 173 28.650 22.947 21.804 1.00 57.60 H new ATOM 0 HD2 LYS A 173 28.052 22.831 24.055 1.00 57.93 H new ATOM 0 HD3 LYS A 173 29.506 22.435 24.458 1.00 57.93 H new ATOM 0 HE2 LYS A 173 30.265 24.581 23.744 1.00 59.48 H new ATOM 0 HE3 LYS A 173 28.794 24.973 23.406 1.00 59.48 H new ATOM 0 HZ1 LYS A 173 29.679 25.593 25.571 1.00 59.43 H new ATOM 0 HZ2 LYS A 173 28.295 25.151 25.520 1.00 59.43 H new ATOM 0 HZ3 LYS A 173 29.333 24.239 25.969 1.00 59.43 H new ATOM 1300 N GLN A 174 26.672 20.227 20.358 1.00 52.53 N ATOM 1301 CA GLN A 174 25.802 20.586 19.250 1.00 52.61 C ATOM 1302 C GLN A 174 24.338 20.502 19.647 1.00 51.14 C ATOM 1303 O GLN A 174 23.469 20.960 18.913 1.00 52.05 O ATOM 1304 CB GLN A 174 26.062 19.678 18.045 1.00 55.76 C ATOM 1305 CG GLN A 174 27.284 20.071 17.219 1.00 59.69 C ATOM 1306 CD GLN A 174 27.379 19.281 15.921 1.00 63.26 C ATOM 1307 OE1 GLN A 174 26.373 19.077 15.233 1.00 64.23 O ATOM 1308 NE2 GLN A 174 28.591 18.843 15.573 1.00 64.19 N ATOM 0 H GLN A 174 27.147 19.521 20.231 1.00 52.53 H new ATOM 0 HA GLN A 174 26.002 21.504 19.008 1.00 52.61 H new ATOM 0 HB2 GLN A 174 26.175 18.767 18.358 1.00 55.76 H new ATOM 0 HB3 GLN A 174 25.280 19.686 17.471 1.00 55.76 H new ATOM 0 HG2 GLN A 174 27.244 21.019 17.017 1.00 59.69 H new ATOM 0 HG3 GLN A 174 28.087 19.926 17.743 1.00 59.69 H new ATOM 0 HE21 GLN A 174 29.268 19.005 16.078 1.00 64.19 H new ATOM 0 HE22 GLN A 174 28.695 18.399 14.844 1.00 64.19 H new ATOM 1309 N ALA A 175 24.060 19.919 20.809 1.00 47.54 N ATOM 1310 CA ALA A 175 22.683 19.797 21.268 1.00 44.98 C ATOM 1311 C ALA A 175 22.389 20.737 22.434 1.00 42.45 C ATOM 1312 O ALA A 175 21.273 20.787 22.936 1.00 40.34 O ATOM 1313 CB ALA A 175 22.396 18.354 21.667 1.00 44.93 C ATOM 0 H ALA A 175 24.650 19.590 21.342 1.00 47.54 H new ATOM 0 HA ALA A 175 22.101 20.052 20.535 1.00 44.98 H new ATOM 0 HB1 ALA A 175 21.478 18.279 21.972 1.00 44.93 H new ATOM 0 HB2 ALA A 175 22.531 17.774 20.902 1.00 44.93 H new ATOM 0 HB3 ALA A 175 22.996 18.090 22.382 1.00 44.93 H new ATOM 1314 N GLU A 176 23.394 21.494 22.850 1.00 42.92 N ATOM 1315 CA GLU A 176 23.239 22.419 23.967 1.00 43.57 C ATOM 1316 C GLU A 176 22.325 23.584 23.557 1.00 43.44 C ATOM 1317 O GLU A 176 22.585 24.269 22.569 1.00 44.50 O ATOM 1318 CB GLU A 176 24.629 22.925 24.404 1.00 44.67 C ATOM 1319 CG GLU A 176 24.670 23.605 25.768 1.00 46.69 C ATOM 1320 CD GLU A 176 26.095 23.834 26.277 1.00 49.09 C ATOM 1321 OE1 GLU A 176 26.887 22.860 26.331 1.00 50.90 O ATOM 1322 OE2 GLU A 176 26.425 24.986 26.629 1.00 47.48 O ATOM 0 H GLU A 176 24.179 21.488 22.498 1.00 42.92 H new ATOM 0 HA GLU A 176 22.825 21.966 24.718 1.00 43.57 H new ATOM 0 HB2 GLU A 176 25.243 22.174 24.414 1.00 44.67 H new ATOM 0 HB3 GLU A 176 24.955 23.549 23.737 1.00 44.67 H new ATOM 0 HG2 GLU A 176 24.210 24.457 25.713 1.00 46.69 H new ATOM 0 HG3 GLU A 176 24.186 23.062 26.410 1.00 46.69 H new ATOM 1323 N ILE A 177 21.246 23.786 24.305 1.00 42.35 N ATOM 1324 CA ILE A 177 20.300 24.857 24.020 1.00 42.80 C ATOM 1325 C ILE A 177 20.745 26.166 24.666 1.00 43.33 C ATOM 1326 O ILE A 177 20.636 27.236 24.062 1.00 41.93 O ATOM 1327 CB ILE A 177 18.892 24.518 24.540 1.00 43.48 C ATOM 1328 CG1 ILE A 177 18.386 23.239 23.876 1.00 43.58 C ATOM 1329 CG2 ILE A 177 17.927 25.671 24.240 1.00 44.89 C ATOM 1330 CD1 ILE A 177 16.987 22.838 24.314 1.00 42.97 C ATOM 0 H ILE A 177 21.042 23.307 24.990 1.00 42.35 H new ATOM 0 HA ILE A 177 20.274 24.955 23.055 1.00 42.80 H new ATOM 0 HB ILE A 177 18.937 24.384 25.500 1.00 43.48 H new ATOM 0 HG12 ILE A 177 18.393 23.359 22.913 1.00 43.58 H new ATOM 0 HG13 ILE A 177 18.999 22.515 24.077 1.00 43.58 H new ATOM 0 HG21 ILE A 177 17.043 25.448 24.571 1.00 44.89 H new ATOM 0 HG22 ILE A 177 18.241 26.478 24.677 1.00 44.89 H new ATOM 0 HG23 ILE A 177 17.885 25.817 23.282 1.00 44.89 H new ATOM 0 HD11 ILE A 177 16.726 22.022 23.858 1.00 42.97 H new ATOM 0 HD12 ILE A 177 16.978 22.689 25.272 1.00 42.97 H new ATOM 0 HD13 ILE A 177 16.363 23.546 24.091 1.00 42.97 H new ATOM 1331 N SER A 178 21.243 26.075 25.896 1.00 41.70 N ATOM 1332 CA SER A 178 21.713 27.254 26.616 1.00 41.38 C ATOM 1333 C SER A 178 22.490 26.883 27.868 1.00 41.10 C ATOM 1334 O SER A 178 22.507 25.725 28.299 1.00 37.02 O ATOM 1335 CB SER A 178 20.540 28.154 27.002 1.00 43.42 C ATOM 1336 OG SER A 178 19.621 27.457 27.828 1.00 49.95 O ATOM 0 H SER A 178 21.317 25.338 26.332 1.00 41.70 H new ATOM 0 HA SER A 178 22.308 27.730 26.016 1.00 41.38 H new ATOM 0 HB2 SER A 178 20.869 28.939 27.467 1.00 43.42 H new ATOM 0 HB3 SER A 178 20.090 28.466 26.202 1.00 43.42 H new ATOM 0 HG SER A 178 18.985 27.966 28.031 1.00 49.95 H new ATOM 1337 N ALA A 179 23.131 27.888 28.446 1.00 40.50 N ATOM 1338 CA ALA A 179 23.928 27.731 29.649 1.00 42.47 C ATOM 1339 C ALA A 179 23.766 28.989 30.488 1.00 43.58 C ATOM 1340 O ALA A 179 23.781 30.104 29.955 1.00 42.29 O ATOM 1341 CB ALA A 179 25.389 27.538 29.280 1.00 41.59 C ATOM 0 H ALA A 179 23.114 28.693 28.144 1.00 40.50 H new ATOM 0 HA ALA A 179 23.634 26.954 30.149 1.00 42.47 H new ATOM 0 HB1 ALA A 179 25.916 27.434 30.088 1.00 41.59 H new ATOM 0 HB2 ALA A 179 25.482 26.745 28.729 1.00 41.59 H new ATOM 0 HB3 ALA A 179 25.703 28.312 28.787 1.00 41.59 H new ATOM 1342 N SER A 180 23.598 28.802 31.790 1.00 44.17 N ATOM 1343 CA SER A 180 23.437 29.901 32.724 1.00 47.75 C ATOM 1344 C SER A 180 24.415 29.757 33.870 1.00 51.26 C ATOM 1345 O SER A 180 25.040 28.709 34.062 1.00 49.85 O ATOM 1346 CB SER A 180 22.025 29.918 33.313 1.00 48.18 C ATOM 1347 OG SER A 180 21.031 29.968 32.301 1.00 53.71 O ATOM 0 H SER A 180 23.574 28.025 32.158 1.00 44.17 H new ATOM 0 HA SER A 180 23.599 30.724 32.236 1.00 47.75 H new ATOM 0 HB2 SER A 180 21.892 29.126 33.858 1.00 48.18 H new ATOM 0 HB3 SER A 180 21.928 30.685 33.899 1.00 48.18 H new ATOM 0 HG SER A 180 20.270 29.975 32.656 1.00 53.71 H new ATOM 1348 N ALA A 181 24.525 30.827 34.642 1.00 54.66 N ATOM 1349 CA ALA A 181 25.380 30.855 35.814 1.00 57.45 C ATOM 1350 C ALA A 181 24.687 31.791 36.802 1.00 59.25 C ATOM 1351 O ALA A 181 24.525 32.980 36.525 1.00 58.12 O ATOM 1352 CB ALA A 181 26.766 31.379 35.442 1.00 57.42 C ATOM 0 H ALA A 181 24.102 31.562 34.499 1.00 54.66 H new ATOM 0 HA ALA A 181 25.508 29.972 36.195 1.00 57.45 H new ATOM 0 HB1 ALA A 181 27.329 31.394 36.232 1.00 57.42 H new ATOM 0 HB2 ALA A 181 27.163 30.799 34.773 1.00 57.42 H new ATOM 0 HB3 ALA A 181 26.687 32.277 35.085 1.00 57.42 H new ATOM 1353 N PRO A 182 24.239 31.258 37.954 1.00 62.01 N ATOM 1354 CA PRO A 182 23.561 32.075 38.973 1.00 64.41 C ATOM 1355 C PRO A 182 24.431 33.261 39.366 1.00 66.30 C ATOM 1356 O PRO A 182 23.935 34.336 39.711 1.00 66.98 O ATOM 1357 CB PRO A 182 23.366 31.098 40.129 1.00 64.06 C ATOM 1358 CG PRO A 182 23.196 29.779 39.414 1.00 64.54 C ATOM 1359 CD PRO A 182 24.293 29.845 38.368 1.00 62.89 C ATOM 0 HA PRO A 182 22.723 32.461 38.674 1.00 64.41 H new ATOM 0 HB2 PRO A 182 24.129 31.089 40.727 1.00 64.06 H new ATOM 0 HB3 PRO A 182 22.589 31.322 40.664 1.00 64.06 H new ATOM 0 HG2 PRO A 182 23.310 29.024 40.012 1.00 64.54 H new ATOM 0 HG3 PRO A 182 22.317 29.694 39.013 1.00 64.54 H new ATOM 0 HD2 PRO A 182 25.159 29.607 38.735 1.00 62.89 H new ATOM 0 HD3 PRO A 182 24.124 29.243 37.626 1.00 62.89 H new ATOM 1360 N THR A 183 25.738 33.042 39.311 1.00 68.07 N ATOM 1361 CA THR A 183 26.717 34.068 39.634 1.00 70.55 C ATOM 1362 C THR A 183 27.795 34.031 38.557 1.00 71.00 C ATOM 1363 O THR A 183 27.482 33.955 37.372 1.00 71.55 O ATOM 1364 CB THR A 183 27.351 33.816 41.019 1.00 71.21 C ATOM 1365 OG1 THR A 183 27.885 32.487 41.068 1.00 72.75 O ATOM 1366 CG2 THR A 183 26.308 33.984 42.120 1.00 71.44 C ATOM 0 H THR A 183 26.084 32.288 39.083 1.00 68.07 H new ATOM 0 HA THR A 183 26.285 34.936 39.665 1.00 70.55 H new ATOM 0 HB THR A 183 28.062 34.461 41.158 1.00 71.21 H new ATOM 0 HG1 THR A 183 28.231 32.351 41.821 1.00 72.75 H new ATOM 0 HG21 THR A 183 26.720 33.823 42.983 1.00 71.44 H new ATOM 0 HG22 THR A 183 25.953 34.886 42.095 1.00 71.44 H new ATOM 0 HG23 THR A 183 25.587 33.350 41.983 1.00 71.44 H new ATOM 1367 N SER A 184 29.059 34.079 38.957 1.00 72.16 N ATOM 1368 CA SER A 184 30.146 34.047 37.983 1.00 72.71 C ATOM 1369 C SER A 184 31.206 33.003 38.342 1.00 71.97 C ATOM 1370 O SER A 184 31.647 32.917 39.488 1.00 71.65 O ATOM 1371 CB SER A 184 30.783 35.439 37.864 1.00 73.31 C ATOM 1372 OG SER A 184 31.209 35.921 39.128 1.00 74.44 O ATOM 0 H SER A 184 29.309 34.130 39.778 1.00 72.16 H new ATOM 0 HA SER A 184 29.769 33.791 37.127 1.00 72.71 H new ATOM 0 HB2 SER A 184 31.540 35.400 37.259 1.00 73.31 H new ATOM 0 HB3 SER A 184 30.143 36.058 37.478 1.00 73.31 H new ATOM 0 HG SER A 184 31.554 36.681 39.036 1.00 74.44 H new ATOM 1373 N LEU A 185 31.602 32.210 37.350 1.00 71.49 N ATOM 1374 CA LEU A 185 32.600 31.161 37.544 1.00 71.04 C ATOM 1375 C LEU A 185 33.901 31.696 38.139 1.00 70.48 C ATOM 1376 O LEU A 185 34.449 32.681 37.650 1.00 70.32 O ATOM 1377 CB LEU A 185 32.905 30.473 36.211 1.00 70.53 C ATOM 1378 CG LEU A 185 31.714 29.906 35.435 1.00 70.91 C ATOM 1379 CD1 LEU A 185 32.216 29.238 34.168 1.00 71.05 C ATOM 1380 CD2 LEU A 185 30.949 28.914 36.302 1.00 70.95 C ATOM 0 H LEU A 185 31.300 32.265 36.546 1.00 71.49 H new ATOM 0 HA LEU A 185 32.223 30.527 38.173 1.00 71.04 H new ATOM 0 HB2 LEU A 185 33.361 31.111 35.640 1.00 70.53 H new ATOM 0 HB3 LEU A 185 33.527 29.748 36.381 1.00 70.53 H new ATOM 0 HG LEU A 185 31.109 30.625 35.194 1.00 70.91 H new ATOM 0 HD11 LEU A 185 31.464 28.877 33.673 1.00 71.05 H new ATOM 0 HD12 LEU A 185 32.680 29.890 33.620 1.00 71.05 H new ATOM 0 HD13 LEU A 185 32.825 28.519 34.400 1.00 71.05 H new ATOM 0 HD21 LEU A 185 30.197 28.560 35.802 1.00 70.95 H new ATOM 0 HD22 LEU A 185 31.537 28.187 36.558 1.00 70.95 H new ATOM 0 HD23 LEU A 185 30.625 29.363 37.099 1.00 70.95 H new ATOM 1381 N ARG A 186 34.383 31.040 39.193 1.00 69.95 N ATOM 1382 CA ARG A 186 35.626 31.430 39.852 1.00 69.31 C ATOM 1383 C ARG A 186 36.754 30.480 39.476 1.00 68.79 C ATOM 1384 O ARG A 186 36.571 29.264 39.441 1.00 67.56 O ATOM 1385 CB ARG A 186 35.461 31.432 41.371 1.00 69.82 C ATOM 1386 CG ARG A 186 34.583 32.537 41.909 1.00 70.97 C ATOM 1387 CD ARG A 186 34.689 32.603 43.423 1.00 72.40 C ATOM 1388 NE ARG A 186 34.044 33.794 43.971 1.00 74.25 N ATOM 1389 CZ ARG A 186 34.182 34.211 45.228 1.00 74.45 C ATOM 1390 NH1 ARG A 186 34.944 33.533 46.076 1.00 74.37 N ATOM 1391 NH2 ARG A 186 33.564 35.312 45.634 1.00 74.68 N ATOM 0 H ARG A 186 33.998 30.357 39.545 1.00 69.95 H new ATOM 0 HA ARG A 186 35.846 32.327 39.554 1.00 69.31 H new ATOM 0 HB2 ARG A 186 35.090 30.579 41.645 1.00 69.82 H new ATOM 0 HB3 ARG A 186 36.338 31.504 41.779 1.00 69.82 H new ATOM 0 HG2 ARG A 186 34.848 33.386 41.522 1.00 70.97 H new ATOM 0 HG3 ARG A 186 33.661 32.382 41.649 1.00 70.97 H new ATOM 0 HD2 ARG A 186 34.283 31.811 43.809 1.00 72.40 H new ATOM 0 HD3 ARG A 186 35.624 32.596 43.681 1.00 72.40 H new ATOM 0 HE ARG A 186 33.542 34.256 43.447 1.00 74.25 H new ATOM 0 HH11 ARG A 186 35.351 32.822 45.815 1.00 74.37 H new ATOM 0 HH12 ARG A 186 35.031 33.805 46.887 1.00 74.37 H new ATOM 0 HH21 ARG A 186 33.074 35.757 45.085 1.00 74.68 H new ATOM 0 HH22 ARG A 186 33.654 35.581 46.446 1.00 74.68 H new ATOM 1392 N SER A 187 37.925 31.046 39.209 1.00 68.22 N ATOM 1393 CA SER A 187 39.090 30.265 38.817 1.00 68.63 C ATOM 1394 C SER A 187 39.848 29.657 39.996 1.00 68.14 C ATOM 1395 O SER A 187 39.911 30.242 41.078 1.00 68.17 O ATOM 1396 CB SER A 187 40.045 31.140 37.995 1.00 68.62 C ATOM 1397 OG SER A 187 41.221 30.428 37.637 1.00 70.36 O ATOM 0 H SER A 187 38.066 31.893 39.250 1.00 68.22 H new ATOM 0 HA SER A 187 38.756 29.523 38.288 1.00 68.63 H new ATOM 0 HB2 SER A 187 39.595 31.448 37.193 1.00 68.62 H new ATOM 0 HB3 SER A 187 40.285 31.928 38.506 1.00 68.62 H new ATOM 0 HG SER A 187 41.725 30.927 37.188 1.00 70.36 H new ATOM 1398 N CYS A 188 40.412 28.471 39.779 1.00 67.48 N ATOM 1399 CA CYS A 188 41.197 27.799 40.807 1.00 67.72 C ATOM 1400 C CYS A 188 42.656 28.198 40.611 1.00 69.25 C ATOM 1401 O CYS A 188 43.556 27.358 40.638 1.00 69.02 O ATOM 1402 CB CYS A 188 41.028 26.279 40.704 1.00 65.05 C ATOM 1403 SG CYS A 188 39.438 25.719 41.389 1.00 62.10 S ATOM 0 H CYS A 188 40.351 28.038 39.039 1.00 67.48 H new ATOM 0 HA CYS A 188 40.895 28.063 41.690 1.00 67.72 H new ATOM 0 HB2 CYS A 188 41.091 26.010 39.774 1.00 65.05 H new ATOM 0 HB3 CYS A 188 41.754 25.841 41.176 1.00 65.05 H new ATOM 1404 N ASP A 189 42.864 29.499 40.404 1.00 70.85 N ATOM 1405 CA ASP A 189 44.191 30.075 40.194 1.00 72.33 C ATOM 1406 C ASP A 189 44.292 31.431 40.886 1.00 73.15 C ATOM 1407 O ASP A 189 45.222 31.606 41.704 1.00 73.83 O ATOM 1408 CB ASP A 189 44.462 30.237 38.702 1.00 72.62 C ATOM 1409 OXT ASP A 189 43.442 32.305 40.595 1.00 73.62 O ATOM 0 H ASP A 189 42.229 30.079 40.382 1.00 70.85 H new ATOM 0 HA ASP A 189 44.853 29.476 40.574 1.00 72.33 H new TER 1410 ASP A 189 HETATM 1411 CA CA A 401 31.452 19.360 51.103 1.00 32.01 CA HETATM 1412 ZN ZN A 501 9.986 10.553 32.575 0.50 51.89 ZN HETATM 1413 C1 AON A 301 23.731 9.938 30.973 1.00 32.29 C HETATM 1414 C10 AON A 301 23.097 10.658 32.206 1.00 31.72 C HETATM 1415 C11 AON A 301 21.116 8.929 32.303 1.00 29.51 C HETATM 1416 C12 AON A 301 19.561 8.748 32.323 1.00 31.10 C HETATM 1417 C13 AON A 301 18.929 9.489 33.522 1.00 32.83 C HETATM 1418 C14 AON A 301 19.315 11.007 33.418 1.00 31.78 C HETATM 1419 C15 AON A 301 18.430 11.696 34.486 1.00 33.79 C HETATM 1420 C16 AON A 301 17.137 10.799 34.506 1.00 33.43 C HETATM 1421 C17 AON A 301 17.401 9.657 33.500 1.00 33.72 C HETATM 1422 C18 AON A 301 19.353 8.790 34.850 1.00 31.22 C HETATM 1423 C19 AON A 301 23.737 10.035 33.512 1.00 31.09 C HETATM 1424 C2 AON A 301 25.267 10.206 30.844 1.00 32.63 C HETATM 1425 C3 AON A 301 25.512 11.742 30.782 1.00 31.57 C HETATM 1426 C4 AON A 301 24.929 12.482 32.005 1.00 30.25 C HETATM 1427 C5 AON A 301 23.402 12.219 32.100 1.00 32.57 C HETATM 1428 C6 AON A 301 22.777 12.963 33.313 1.00 32.29 C HETATM 1429 C7 AON A 301 21.245 12.727 33.360 1.00 32.81 C HETATM 1430 C8 AON A 301 20.859 11.225 33.439 1.00 31.02 C HETATM 1431 C9 AON A 301 21.525 10.436 32.236 1.00 32.64 C HETATM 1432 O3 AON A 301 26.930 11.990 30.661 1.00 33.40 O HETATM 1433 O17 AON A 301 16.839 10.050 32.184 1.00 36.72 O HETATM 0 HO17 AON A 301 16.057 10.340 32.288 1.00 36.72 H new HETATM 0 HC72 AON A 301 20.876 13.191 34.128 1.00 32.81 H new HETATM 0 HC71 AON A 301 20.839 13.118 32.571 1.00 32.81 H new HETATM 0 HC62 AON A 301 23.184 12.651 34.136 1.00 32.29 H new HETATM 0 HC61 AON A 301 22.962 13.913 33.248 1.00 32.29 H new HETATM 0 HC42 AON A 301 25.369 12.181 32.816 1.00 30.25 H new HETATM 0 HC41 AON A 301 25.097 13.434 31.928 1.00 30.25 H new HETATM 0 HC22 AON A 301 25.738 9.822 31.600 1.00 32.63 H new HETATM 0 HC21 AON A 301 25.615 9.779 30.046 1.00 32.63 H new HETATM 0 HC12 AON A 301 23.578 8.983 31.046 1.00 32.29 H new HETATM 0 HC11 AON A 301 23.285 10.235 30.165 1.00 32.29 H new HETATM 0 H193 AON A 301 23.547 9.084 33.544 1.00 31.09 H new HETATM 0 H192 AON A 301 24.697 10.173 33.499 1.00 31.09 H new HETATM 0 H191 AON A 301 23.359 10.466 34.295 1.00 31.09 H new HETATM 0 H183 AON A 301 19.048 7.869 34.843 1.00 31.22 H new HETATM 0 H182 AON A 301 20.319 8.809 34.932 1.00 31.22 H new HETATM 0 H181 AON A 301 18.956 9.256 35.602 1.00 31.22 H new HETATM 0 H17C AON A 301 16.980 8.809 33.710 1.00 33.72 H new HETATM 0 H162 AON A 301 16.971 10.448 35.395 1.00 33.43 H new HETATM 0 H161 AON A 301 16.354 11.312 34.252 1.00 33.43 H new HETATM 0 H152 AON A 301 18.865 11.719 35.353 1.00 33.79 H new HETATM 0 H151 AON A 301 18.227 12.614 34.247 1.00 33.79 H new HETATM 0 H14C AON A 301 19.124 11.430 32.566 1.00 31.78 H new HETATM 0 H122 AON A 301 19.183 9.084 31.496 1.00 31.10 H new HETATM 0 H121 AON A 301 19.343 7.804 32.371 1.00 31.10 H new HETATM 0 H112 AON A 301 21.499 8.525 33.098 1.00 29.51 H new HETATM 0 H111 AON A 301 21.486 8.459 31.539 1.00 29.51 H new HETATM 0 HO3 AON A 301 27.186 11.785 29.888 1.00 33.40 H new HETATM 0 HC9 AON A 301 21.194 10.787 31.395 1.00 32.64 H new HETATM 0 HC8 AON A 301 21.190 10.886 34.286 1.00 31.02 H new HETATM 0 HC5 AON A 301 22.998 12.562 31.287 1.00 32.57 H new HETATM 0 HC3 AON A 301 25.048 12.091 30.005 1.00 31.57 H new HETATM 1434 O HOH A 502 34.182 0.018 42.263 0.50 33.59 O HETATM 1435 O HOH A 503 15.444 0.349 40.859 1.00 22.45 O HETATM 1436 O HOH A 504 27.778 6.290 49.088 1.00 26.62 O HETATM 1437 O HOH A 505 17.273 0.868 45.216 1.00 25.66 O HETATM 1438 O HOH A 506 31.848 18.270 53.338 1.00 36.70 O HETATM 1439 O HOH A 507 22.586 -4.376 31.031 1.00 35.72 O HETATM 1440 O HOH A 508 26.857 11.579 54.495 1.00 32.28 O HETATM 1441 O HOH A 509 30.290 7.017 48.263 1.00 27.74 O HETATM 1442 O HOH A 510 13.552 7.133 44.682 1.00 27.88 O HETATM 1443 O HOH A 511 29.459 19.209 52.022 1.00 36.34 O HETATM 1444 O HOH A 512 24.606 3.120 24.057 1.00 32.24 O HETATM 1445 O HOH A 513 16.230 -1.380 37.016 1.00 29.44 O HETATM 1446 O HOH A 514 31.391 -2.621 36.204 1.00 31.57 O HETATM 1447 O HOH A 515 30.559 12.028 53.821 1.00 30.35 O HETATM 1448 O HOH A 516 13.482 2.913 46.022 1.00 33.20 O HETATM 1449 O HOH A 517 13.101 5.040 50.070 1.00 45.02 O HETATM 1450 O HOH A 518 41.797 13.272 52.778 1.00 48.62 O HETATM 1451 O HOH A 519 34.779 5.745 52.142 1.00 38.01 O HETATM 1452 O HOH A 520 20.668 26.427 31.050 1.00 35.34 O HETATM 1453 O HOH A 521 32.007 12.570 56.479 1.00 48.83 O HETATM 1454 O HOH A 522 32.213 -4.362 32.440 1.00 34.03 O HETATM 1455 O HOH A 523 19.755 2.078 46.181 1.00 32.39 O HETATM 1456 O HOH A 524 31.554 21.343 52.444 1.00 40.29 O HETATM 1457 O HOH A 525 36.976 0.733 42.554 1.00 47.69 O HETATM 1458 O HOH A 526 29.272 9.664 55.010 1.00 40.65 O HETATM 1459 O HOH A 527 41.297 15.086 44.747 1.00 39.05 O HETATM 1460 O HOH A 528 34.896 12.377 23.369 1.00 60.58 O HETATM 1461 O HOH A 529 23.073 2.491 21.871 1.00 31.90 O HETATM 1462 O HOH A 530 28.654 6.607 55.078 1.00 54.92 O HETATM 1463 O HOH A 531 28.513 14.671 56.191 1.00 34.97 O HETATM 1464 O HOH A 532 40.550 4.712 48.339 1.00 34.27 O HETATM 1465 O HOH A 533 41.462 10.571 50.525 1.00 36.52 O HETATM 1466 O HOH A 534 29.239 17.621 54.539 1.00 50.60 O HETATM 1467 O HOH A 535 27.371 2.915 23.075 1.00 40.59 O HETATM 1468 O HOH A 536 13.254 1.045 44.196 1.00 35.88 O HETATM 1469 O HOH A 537 8.406 11.658 33.364 1.00 50.86 O HETATM 1470 O HOH A 538 34.921 11.433 55.453 1.00 43.40 O HETATM 1471 O HOH A 539 12.775 9.611 46.042 1.00 53.17 O HETATM 1472 O HOH A 540 43.728 3.854 38.183 1.00 54.76 O HETATM 1473 O HOH A 541 33.846 -1.789 37.424 1.00 38.79 O HETATM 1474 O HOH A 542 21.336 11.718 54.762 1.00 45.05 O HETATM 1475 O HOH A 543 14.249 22.154 39.071 1.00 45.75 O HETATM 1476 O HOH A 544 21.794 5.598 21.249 1.00 56.09 O HETATM 1477 O HOH A 545 16.660 24.228 49.675 1.00 52.99 O HETATM 1478 O HOH A 546 30.828 -4.547 34.843 1.00 44.80 O HETATM 1479 O HOH A 547 35.429 33.475 34.343 1.00 57.33 O HETATM 1480 O HOH A 548 31.572 24.469 31.871 1.00 46.06 O HETATM 1481 O HOH A 549 16.608 7.707 31.301 1.00 50.96 O HETATM 1482 O HOH A 550 31.703 -5.215 29.872 1.00 41.33 O HETATM 1483 O HOH A 551 31.366 33.455 43.751 1.00 53.74 O HETATM 1484 O HOH A 552 15.710 25.071 33.562 1.00 50.49 O HETATM 1485 O HOH A 553 42.027 6.091 40.849 1.00 46.89 O HETATM 1486 O HOH A 554 24.153 33.214 33.096 1.00 42.78 O HETATM 1487 O HOH A 555 15.459 -0.204 30.822 1.00 59.92 O HETATM 1488 O HOH A 556 26.884 18.249 58.018 1.00 35.10 O HETATM 1489 O HOH A 557 41.051 22.957 46.873 1.00 68.38 O HETATM 1490 O HOH A 558 36.386 4.844 27.987 1.00 73.22 O HETATM 1491 O HOH A 559 26.487 15.575 57.592 1.00 38.95 O HETATM 1492 O HOH A 560 37.556 20.781 51.482 1.00 48.49 O HETATM 1493 O HOH A 561 17.466 -6.233 30.033 1.00 41.76 O HETATM 1494 O HOH A 562 40.015 4.362 39.634 1.00 50.60 O HETATM 1495 O HOH A 563 11.285 0.487 38.628 1.00 52.40 O HETATM 1496 O HOH A 564 43.552 30.038 27.517 1.00 63.96 O HETATM 1497 O HOH A 565 38.855 21.097 49.096 1.00 36.66 O HETATM 1498 O HOH A 566 32.449 24.940 34.114 1.00 72.04 O HETATM 1499 O HOH A 567 47.444 15.218 40.056 1.00 43.76 O HETATM 1500 O HOH A 568 28.352 20.687 26.081 1.00 45.62 O HETATM 1501 O HOH A 569 38.725 -0.931 33.567 1.00 39.10 O HETATM 1502 O HOH A 570 11.625 19.658 53.837 1.00 69.14 O HETATM 1503 O HOH A 571 25.823 22.837 51.104 1.00 43.24 O HETATM 1504 O HOH A 572 34.987 5.740 55.298 1.00 50.96 O HETATM 1505 O HOH A 573 18.503 11.347 55.866 1.00 54.01 O HETATM 1506 O HOH A 574 30.643 20.341 26.717 1.00 36.18 O HETATM 1507 O HOH A 575 39.771 23.340 31.558 1.00 45.49 O HETATM 1508 O HOH A 576 39.126 14.300 52.875 1.00 47.39 O HETATM 1509 O HOH A 577 14.422 24.625 38.583 1.00 51.67 O HETATM 1510 O HOH A 578 28.948 19.009 56.573 1.00 60.76 O HETATM 1511 O HOH A 579 32.850 29.031 40.192 1.00 53.00 O HETATM 1512 O HOH A 580 38.275 8.089 33.685 1.00 39.53 O HETATM 1513 O HOH A 581 23.571 35.215 36.713 1.00 58.62 O HETATM 1514 O HOH A 582 25.374 6.062 24.297 1.00 70.54 O HETATM 1515 O HOH A 583 24.405 -2.049 29.065 1.00 66.45 O HETATM 1516 O HOH A 584 22.522 22.202 45.409 1.00 53.84 O HETATM 1517 O HOH A 585 35.285 29.655 45.384 1.00 55.44 O HETATM 1518 O HOH A 586 29.407 22.916 45.120 1.00 48.98 O HETATM 1519 O HOH A 587 7.196 10.993 30.727 1.00 58.69 O HETATM 1520 O HOH A 588 7.479 12.718 28.199 1.00 59.76 O HETATM 1521 O HOH A 589 21.405 -2.989 27.190 1.00 42.64 O CONECT 291 1411 CONECT 292 1411 CONECT 303 1411 CONECT 408 1412 CONECT 581 1412 CONECT 1013 1412 CONECT 1189 1411 CONECT 1216 1403 CONECT 1403 1216 CONECT 1411 291 292 303 1189 CONECT 1411 1438 1443 1456 CONECT 1412 408 581 1013 1469 CONECT 1413 1414 1424 CONECT 1414 1413 1423 1427 1431 CONECT 1415 1416 1431 CONECT 1416 1415 1417 CONECT 1417 1416 1418 1421 1422 CONECT 1418 1417 1419 1430 CONECT 1419 1418 1420 CONECT 1420 1419 1421 CONECT 1421 1417 1420 1433 CONECT 1422 1417 CONECT 1423 1414 CONECT 1424 1413 1425 CONECT 1425 1424 1426 1432 CONECT 1426 1425 1427 CONECT 1427 1414 1426 1428 CONECT 1428 1427 1429 CONECT 1429 1428 1430 CONECT 1430 1418 1429 1431 CONECT 1431 1414 1415 1430 CONECT 1432 1425 CONECT 1433 1421 CONECT 1438 1411 CONECT 1443 1411 CONECT 1456 1411 CONECT 1469 1412 END