USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSPORT PROTEIN 17-APR-02 1LHW TITLE CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN TITLE 2 COMPLEX WITH 2-METHOXYESTRADIOL 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, 2-METHOXYESTRADIOL, TRANSPORT PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR G.V.AVVAKUMOV,I.GRISHKOVSKAYA,Y.A.MULLER,G.L.HAMMOND REVDAT 3 24-FEB-09 1LHW 1 VERSN REVDAT 2 14-DEC-04 1LHW 1 JRNL REVDAT 1 23-OCT-02 1LHW 0 JRNL AUTH G.V.AVVAKUMOV,I.GRISHKOVSKAYA,Y.A.MULLER, JRNL AUTH 2 G.L.HAMMOND JRNL TITL CRYSTAL STRUCTURE OF HUMAN SEX HORMONE-BINDING JRNL TITL 2 GLOBULIN IN COMPLEX WITH 2-METHOXYESTRADIOL JRNL TITL 3 REVEALS THE MOLECULAR BASIS FOR HIGH AFFINITY JRNL TITL 4 INTERACTIONS WITH C-2 DERIVATIVES OF ESTRADIOL. JRNL REF J.BIOL.CHEM. V. 277 45219 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 12228253 JRNL DOI 10.1074/JBC.M207762200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 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 : 15911 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) : 0.210 REMARK 3 FREE R VALUE : 0.238 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 1770 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 : 1377 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 23 REMARK 3 SOLVENT ATOMS : 101 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) : 1.520 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 1LHW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 26-APR-02. REMARK 100 THE RCSB ID CODE IS RCSB015954. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-MAY-01 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : EMBL/DESY, HAMBURG REMARK 200 BEAMLINE : BW7B REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.8453 REMARK 200 MONOCHROMATOR : TRIANGULAR MONOCHROMATOR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MAR REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 17701 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 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 (%) : 99.4 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : 0.03100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.79 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.9 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.28600 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 1D2S REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.17 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.09 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: HEPES, CALCIUM CHLORIDE, 2- REMARK 280 METHOXYESTRADIOL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, REMARK 280 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 51.96000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 29.99912 REMARK 290 SMTRY3 7 0.000000 0.000000 1.000000 28.15333 REMARK 290 SMTRY1 8 -0.500000 -0.866025 0.000000 51.96000 REMARK 290 SMTRY2 8 0.866025 -0.500000 0.000000 29.99912 REMARK 290 SMTRY3 8 0.000000 0.000000 1.000000 28.15333 REMARK 290 SMTRY1 9 -0.500000 0.866025 0.000000 51.96000 REMARK 290 SMTRY2 9 -0.866025 -0.500000 0.000000 29.99912 REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 28.15333 REMARK 290 SMTRY1 10 -0.500000 0.866025 0.000000 51.96000 REMARK 290 SMTRY2 10 0.866025 0.500000 0.000000 29.99912 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 28.15333 REMARK 290 SMTRY1 11 1.000000 0.000000 0.000000 51.96000 REMARK 290 SMTRY2 11 0.000000 -1.000000 0.000000 29.99912 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 28.15333 REMARK 290 SMTRY1 12 -0.500000 -0.866025 0.000000 51.96000 REMARK 290 SMTRY2 12 -0.866025 0.500000 0.000000 29.99912 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 28.15333 REMARK 290 SMTRY1 13 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 59.99824 REMARK 290 SMTRY3 13 0.000000 0.000000 1.000000 56.30667 REMARK 290 SMTRY1 14 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 14 0.866025 -0.500000 0.000000 59.99824 REMARK 290 SMTRY3 14 0.000000 0.000000 1.000000 56.30667 REMARK 290 SMTRY1 15 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 15 -0.866025 -0.500000 0.000000 59.99824 REMARK 290 SMTRY3 15 0.000000 0.000000 1.000000 56.30667 REMARK 290 SMTRY1 16 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 16 0.866025 0.500000 0.000000 59.99824 REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 56.30667 REMARK 290 SMTRY1 17 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 17 0.000000 -1.000000 0.000000 59.99824 REMARK 290 SMTRY3 17 0.000000 0.000000 -1.000000 56.30667 REMARK 290 SMTRY1 18 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 18 -0.866025 0.500000 0.000000 59.99824 REMARK 290 SMTRY3 18 0.000000 0.000000 -1.000000 56.30667 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 84.46000 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 LEU A 131 REMARK 465 THR A 132 REMARK 465 SER A 133 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 542 O HOH A 542 5556 1.84 REMARK 500 O HOH A 575 O HOH A 575 5556 2.04 REMARK 500 O HOH A 573 O HOH A 573 5556 2.13 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 40 50.24 -107.01 REMARK 500 ASN A 61 109.54 -169.88 REMARK 500 ASP A 64 15.72 -143.11 REMARK 500 ASP A 96 47.88 -93.49 REMARK 500 ARG A 135 -54.57 -170.11 REMARK 500 LEU A 171 -132.50 53.50 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 560 DISTANCE = 5.66 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 100.0 REMARK 620 3 ALA A 160 O 89.4 82.8 REMARK 620 4 ASP A 50 OD1 54.2 77.6 133.7 REMARK 620 5 HOH A 505 O 112.8 101.1 156.0 69.8 REMARK 620 6 HOH A 507 O 170.4 83.3 82.0 135.4 75.0 REMARK 620 7 HOH A 531 O 78.4 172.4 89.8 106.9 86.3 97.2 REMARK 620 N 1 2 3 4 5 6 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 ESM A 301 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPA A 501 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1D2S RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LAMININ G-LIKE DOMAINOF REMARK 900 SHBG IN COMPLEX WITH DIHYDROTESTOSTERONE REMARK 900 RELATED ID: 1F5F RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL G-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH ZINC REMARK 900 RELATED ID: 1KDK RELATED DB: PDB REMARK 900 THE STRUCTURE OF THE N-TERMINAL LG DOMAIN OF SHBG IN REMARK 900 CRYSTALS SOAKED WITH EDTA REMARK 900 RELATED ID: 1KDM RELATED DB: PDB REMARK 900 THE CRYSTAL STRUCTURE OF THE HUMAN SEX HORMONE-BINDING REMARK 900 GLOBULIN (TETRAGONAL CRYSTAL FORM) REMARK 900 RELATED ID: 1LHN RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17ALPHA-DIOL REMARK 900 RELATED ID: 1LHO RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH 5ALPHA-ANDROSTANE-3BETA,17BETA-DIOL REMARK 900 RELATED ID: 1LHU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH ESTRADIOL REMARK 900 RELATED ID: 1LHV RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN REMARK 900 COMPLEX WITH NORGESTREL DBREF 1LHW 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 ESM A 301 22 HET IPA A 501 4 HETNAM CA CALCIUM ION HETNAM ESM 1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER HETNAM IPA ISOPROPYL ALCOHOL HETSYN ESM 2-METHOXYESTRADIOL HETSYN IPA 2-PROPANOL FORMUL 2 CA CA 2+ FORMUL 3 ESM C19 H26 O3 FORMUL 4 IPA C3 H8 O FORMUL 5 HOH *97(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 41 THR A 48 -1 N SER A 43 O SER A 169 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 GLU A 119 N VAL A 116 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 ASN A 61 O ASP A 65 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 2.33 LINK CA CA A 401 O GLU A 52 1555 1555 2.27 LINK CA CA A 401 O ALA A 160 1555 1555 2.25 LINK CA CA A 401 OD1 ASP A 50 1555 1555 2.47 LINK CA CA A 401 O HOH A 505 1555 1555 2.52 LINK CA CA A 401 O HOH A 507 1555 1555 2.39 LINK CA CA A 401 O HOH A 531 1555 1555 2.28 SITE *** AC1 6 ASP A 50 GLU A 52 ALA A 160 HOH A 505 SITE *** AC1 6 HOH A 507 HOH A 531 SITE *** AC2 13 SER A 41 SER A 42 GLY A 58 ASP A 65 SITE *** AC2 13 PHE A 67 LEU A 80 ASN A 82 VAL A 105 SITE *** AC2 13 VAL A 112 VAL A 127 SER A 128 LYS A 134 SITE *** AC2 13 ILE A 141 SITE *** AC3 5 GLN A 102 GLU A 104 LYS A 106 GLU A 115 SITE *** AC3 5 GLY A 118 CRYST1 103.920 103.920 84.460 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 0.009623 0.005556 0.000000 0.00000 SCALE2 0.000000 0.011111 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011840 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 301 ESM HO3 : A 301 ESM O3 : A 301 ESM C3 :(short bond) USER MOD Set 1.1: A 42 SER OG : rot -170:sc= 0.563 USER MOD Set 1.2: A 301 ESM O17 : rot 136:sc= 0.616 USER MOD Set 2.1: A 151 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 152 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Set 3.1: A 107 MET CE :methyl 177:sc= -2.69! (180deg=-0.197) USER MOD Set 3.2: A 128 SER OG : rot -103:sc= -2.8! USER MOD Single : A 17 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.72) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.315 K(o=-0.32,f=-2.1!) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 30 MET CE :methyl -113:sc= 0 (180deg=-0.216) USER MOD Single : A 31 THR OG1 : rot 83:sc= 0.983 USER MOD Single : A 35 THR OG1 : rot -63:sc= 1.11 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -40:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -160:sc= -0.183 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0839 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 75:sc= 1.43 USER MOD Single : A 57 TYR OH : rot -166:sc= 0.895 USER MOD Single : A 60 THR OG1 : rot -131:sc= 0.509 USER MOD Single : A 61 ASN : amide:sc= -11.2! C(o=-11!,f=-18!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE A:methyl -143:sc= -0.171 (180deg=-0.613) USER MOD Single : A 68 MET CE B:methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 1.24 K(o=1.2,f=-5.6!) USER MOD Single : A 81 HIS : no HE2:sc= 1.04 K(o=1,f=-3.3!) USER MOD Single : A 82 ASN : amide:sc= 0.427! C(o=0.43!,f=-11!) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.6) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.581 USER MOD Single : A 101 HIS : +bothHN:sc= 2.05 K(o=2.1,f=-7.4!) USER MOD Single : A 102 GLN : amide:sc= 0.112 K(o=0.11,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ -179:sc= 0.463 (180deg=0.462) USER MOD Single : A 111 SER OG : rot 80:sc= -0.0796 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ -129:sc= 0.315 (180deg=-2.29!) USER MOD Single : A 136 HIS :FLIP no HD1:sc= -6.86! C(o=-12!,f=-6.9!) USER MOD Single : A 139 MET CE :methyl -112:sc= -0.0156 (180deg=-1.62!) USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 173 LYS NZ :NH3+ 148:sc= 0.266 (180deg=-0.432) USER MOD Single : A 174 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 178 SER OG : rot 114:sc= 0.00621 USER MOD Single : A 180 SER OG : rot 180:sc= 0 USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0.0949 USER MOD Single : A 501 IPA O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 13 45.299 23.476 31.544 1.00 57.57 N ATOM 2 CA PRO A 13 44.054 24.148 31.095 1.00 56.70 C ATOM 3 C PRO A 13 43.403 24.912 32.249 1.00 55.39 C ATOM 4 O PRO A 13 43.789 24.755 33.411 1.00 55.53 O ATOM 5 CB PRO A 13 43.120 23.061 30.576 1.00 57.23 C ATOM 6 CG PRO A 13 44.113 21.946 30.216 1.00 57.86 C ATOM 7 CD PRO A 13 45.193 22.023 31.313 1.00 57.89 C ATOM 0 HA PRO A 13 44.248 24.795 30.399 1.00 56.70 H new ATOM 0 HB2 PRO A 13 42.481 22.777 31.249 1.00 57.23 H new ATOM 0 HB3 PRO A 13 42.609 23.356 29.806 1.00 57.23 H new ATOM 0 HG2 PRO A 13 43.681 21.078 30.206 1.00 57.86 H new ATOM 0 HG3 PRO A 13 44.494 22.083 29.335 1.00 57.86 H new ATOM 0 HD2 PRO A 13 44.929 21.547 32.116 1.00 57.89 H new ATOM 0 HD3 PRO A 13 46.035 21.640 31.020 1.00 57.89 H new ATOM 8 N PRO A 14 42.402 25.750 31.942 1.00 53.70 N ATOM 9 CA PRO A 14 41.702 26.537 32.966 1.00 52.25 C ATOM 10 C PRO A 14 40.770 25.701 33.861 1.00 50.89 C ATOM 11 O PRO A 14 39.933 24.937 33.374 1.00 50.37 O ATOM 12 CB PRO A 14 40.954 27.581 32.141 1.00 52.35 C ATOM 13 CG PRO A 14 40.637 26.827 30.875 1.00 53.24 C ATOM 14 CD PRO A 14 41.926 26.089 30.590 1.00 53.66 C ATOM 0 HA PRO A 14 42.312 26.926 33.612 1.00 52.25 H new ATOM 0 HB2 PRO A 14 40.151 27.888 32.589 1.00 52.35 H new ATOM 0 HB3 PRO A 14 41.500 28.364 31.968 1.00 52.35 H new ATOM 0 HG2 PRO A 14 39.893 26.217 30.997 1.00 53.24 H new ATOM 0 HG3 PRO A 14 40.398 27.426 30.150 1.00 53.24 H new ATOM 0 HD2 PRO A 14 41.777 25.297 30.050 1.00 53.66 H new ATOM 0 HD3 PRO A 14 42.562 26.644 30.111 1.00 53.66 H new ATOM 15 N ALA A 15 40.928 25.854 35.172 1.00 49.00 N ATOM 16 CA ALA A 15 40.117 25.120 36.141 1.00 46.47 C ATOM 17 C ALA A 15 39.160 26.060 36.852 1.00 45.28 C ATOM 18 O ALA A 15 39.478 27.229 37.081 1.00 44.59 O ATOM 19 CB ALA A 15 41.013 24.428 37.162 1.00 45.60 C ATOM 0 H ALA A 15 41.506 26.384 35.525 1.00 49.00 H new ATOM 0 HA ALA A 15 39.603 24.450 35.664 1.00 46.47 H new ATOM 0 HB1 ALA A 15 40.464 23.945 37.799 1.00 45.60 H new ATOM 0 HB2 ALA A 15 41.603 23.807 36.707 1.00 45.60 H new ATOM 0 HB3 ALA A 15 41.543 25.092 37.630 1.00 45.60 H new ATOM 20 N VAL A 16 37.994 25.539 37.213 1.00 42.40 N ATOM 21 CA VAL A 16 36.994 26.325 37.897 1.00 41.17 C ATOM 22 C VAL A 16 36.597 25.739 39.254 1.00 40.53 C ATOM 23 O VAL A 16 36.596 24.521 39.446 1.00 36.44 O ATOM 24 CB VAL A 16 35.729 26.464 37.025 1.00 42.78 C ATOM 25 CG1 VAL A 16 35.172 25.094 36.681 1.00 43.43 C ATOM 26 CG2 VAL A 16 34.691 27.273 37.753 1.00 44.34 C ATOM 0 H VAL A 16 37.766 24.723 37.067 1.00 42.40 H new ATOM 0 HA VAL A 16 37.396 27.194 38.055 1.00 41.17 H new ATOM 0 HB VAL A 16 35.966 26.919 36.202 1.00 42.78 H new ATOM 0 HG11 VAL A 16 34.378 25.196 36.133 1.00 43.43 H new ATOM 0 HG12 VAL A 16 35.839 24.587 36.192 1.00 43.43 H new ATOM 0 HG13 VAL A 16 34.943 24.623 37.498 1.00 43.43 H new ATOM 0 HG21 VAL A 16 33.899 27.357 37.200 1.00 44.34 H new ATOM 0 HG22 VAL A 16 34.459 26.830 38.584 1.00 44.34 H new ATOM 0 HG23 VAL A 16 35.045 28.155 37.946 1.00 44.34 H new ATOM 27 N HIS A 17 36.268 26.628 40.189 1.00 38.87 N ATOM 28 CA HIS A 17 35.830 26.236 41.524 1.00 39.45 C ATOM 29 C HIS A 17 34.417 25.655 41.451 1.00 38.52 C ATOM 30 O HIS A 17 33.526 26.240 40.832 1.00 36.82 O ATOM 31 CB HIS A 17 35.828 27.447 42.453 1.00 40.46 C ATOM 32 CG HIS A 17 37.163 27.752 43.056 1.00 42.81 C ATOM 33 ND1 HIS A 17 37.726 26.975 44.046 1.00 43.86 N ATOM 34 CD2 HIS A 17 38.046 28.751 42.812 1.00 44.67 C ATOM 35 CE1 HIS A 17 38.898 27.482 44.389 1.00 44.11 C ATOM 36 NE2 HIS A 17 39.116 28.560 43.656 1.00 44.39 N ATOM 0 H HIS A 17 36.293 27.479 40.065 1.00 38.87 H new ATOM 0 HA HIS A 17 36.442 25.568 41.871 1.00 39.45 H new ATOM 0 HB2 HIS A 17 35.522 28.223 41.958 1.00 40.46 H new ATOM 0 HB3 HIS A 17 35.188 27.295 43.166 1.00 40.46 H new ATOM 0 HD2 HIS A 17 37.947 29.436 42.191 1.00 44.67 H new ATOM 0 HE1 HIS A 17 39.471 27.139 45.036 1.00 44.11 H new ATOM 0 HE2 HIS A 17 39.814 29.061 43.699 1.00 44.39 H new ATOM 37 N LEU A 18 34.214 24.508 42.094 1.00 37.88 N ATOM 38 CA LEU A 18 32.912 23.857 42.072 1.00 38.38 C ATOM 39 C LEU A 18 31.918 24.411 43.065 1.00 39.56 C ATOM 40 O LEU A 18 30.752 24.040 43.052 1.00 38.38 O ATOM 41 CB LEU A 18 33.064 22.351 42.280 1.00 37.38 C ATOM 42 CG LEU A 18 33.323 21.611 40.972 1.00 37.04 C ATOM 43 CD1 LEU A 18 33.642 20.139 41.260 1.00 35.29 C ATOM 44 CD2 LEU A 18 32.098 21.744 40.069 1.00 33.30 C ATOM 0 H LEU A 18 34.816 24.093 42.547 1.00 37.88 H new ATOM 0 HA LEU A 18 32.547 24.044 41.193 1.00 38.38 H new ATOM 0 HB2 LEU A 18 33.795 22.183 42.895 1.00 37.38 H new ATOM 0 HB3 LEU A 18 32.260 22.001 42.694 1.00 37.38 H new ATOM 0 HG LEU A 18 34.087 21.999 40.517 1.00 37.04 H new ATOM 0 HD11 LEU A 18 33.806 19.674 40.425 1.00 35.29 H new ATOM 0 HD12 LEU A 18 34.431 20.083 41.821 1.00 35.29 H new ATOM 0 HD13 LEU A 18 32.891 19.728 41.717 1.00 35.29 H new ATOM 0 HD21 LEU A 18 32.258 21.275 39.235 1.00 33.30 H new ATOM 0 HD22 LEU A 18 31.326 21.360 40.513 1.00 33.30 H new ATOM 0 HD23 LEU A 18 31.932 22.682 39.885 1.00 33.30 H new ATOM 45 N SER A 19 32.369 25.286 43.947 1.00 42.63 N ATOM 46 CA SER A 19 31.445 25.883 44.892 1.00 47.16 C ATOM 47 C SER A 19 31.667 27.385 44.921 1.00 49.58 C ATOM 48 O SER A 19 32.762 27.868 44.625 1.00 49.78 O ATOM 49 CB SER A 19 31.634 25.296 46.297 1.00 47.63 C ATOM 50 OG SER A 19 32.998 25.302 46.670 1.00 51.00 O ATOM 0 H SER A 19 33.187 25.543 44.015 1.00 42.63 H new ATOM 0 HA SER A 19 30.538 25.688 44.609 1.00 47.16 H new ATOM 0 HB2 SER A 19 31.118 25.810 46.938 1.00 47.63 H new ATOM 0 HB3 SER A 19 31.293 24.388 46.320 1.00 47.63 H new ATOM 0 HG SER A 19 33.079 24.979 47.441 1.00 51.00 H new ATOM 51 N ASN A 20 30.606 28.111 45.245 1.00 52.33 N ATOM 52 CA ASN A 20 30.655 29.559 45.354 1.00 55.80 C ATOM 53 C ASN A 20 29.920 29.954 46.621 1.00 57.17 C ATOM 54 O ASN A 20 28.894 29.366 46.961 1.00 57.65 O ATOM 55 CB ASN A 20 29.990 30.227 44.150 1.00 57.07 C ATOM 56 CG ASN A 20 30.873 30.225 42.925 1.00 59.02 C ATOM 57 OD1 ASN A 20 32.106 30.251 43.032 1.00 60.78 O ATOM 58 ND2 ASN A 20 30.254 30.216 41.750 1.00 59.21 N ATOM 0 H ASN A 20 29.832 27.774 45.409 1.00 52.33 H new ATOM 0 HA ASN A 20 31.580 29.850 45.380 1.00 55.80 H new ATOM 0 HB2 ASN A 20 29.160 29.768 43.947 1.00 57.07 H new ATOM 0 HB3 ASN A 20 29.760 31.141 44.378 1.00 57.07 H new ATOM 0 HD21 ASN A 20 30.712 30.228 41.022 1.00 59.21 H new ATOM 0 HD22 ASN A 20 29.395 30.198 41.717 1.00 59.21 H new ATOM 59 N GLY A 21 30.447 30.951 47.319 1.00 58.91 N ATOM 60 CA GLY A 21 29.813 31.394 48.545 1.00 59.90 C ATOM 61 C GLY A 21 29.448 30.233 49.452 1.00 60.25 C ATOM 62 O GLY A 21 30.267 29.347 49.692 1.00 60.10 O ATOM 0 H GLY A 21 31.161 31.378 47.102 1.00 58.91 H new ATOM 0 HA2 GLY A 21 30.410 31.996 49.017 1.00 59.90 H new ATOM 0 HA3 GLY A 21 29.013 31.898 48.330 1.00 59.90 H new ATOM 63 N PRO A 22 28.214 30.221 49.973 1.00 60.40 N ATOM 64 CA PRO A 22 27.644 29.212 50.871 1.00 60.63 C ATOM 65 C PRO A 22 27.487 27.822 50.268 1.00 60.48 C ATOM 66 O PRO A 22 27.110 26.886 50.969 1.00 60.88 O ATOM 67 CB PRO A 22 26.291 29.813 51.246 1.00 61.23 C ATOM 68 CG PRO A 22 26.534 31.280 51.156 1.00 61.24 C ATOM 69 CD PRO A 22 27.312 31.380 49.869 1.00 61.33 C ATOM 0 HA PRO A 22 28.235 29.045 51.622 1.00 60.63 H new ATOM 0 HB2 PRO A 22 25.591 29.528 50.638 1.00 61.23 H new ATOM 0 HB3 PRO A 22 26.017 29.549 52.138 1.00 61.23 H new ATOM 0 HG2 PRO A 22 25.707 31.785 51.122 1.00 61.24 H new ATOM 0 HG3 PRO A 22 27.039 31.613 51.914 1.00 61.24 H new ATOM 0 HD2 PRO A 22 26.736 31.324 49.090 1.00 61.33 H new ATOM 0 HD3 PRO A 22 27.800 32.216 49.802 1.00 61.33 H new ATOM 70 N GLY A 23 27.768 27.687 48.975 1.00 59.74 N ATOM 71 CA GLY A 23 27.628 26.394 48.327 1.00 58.93 C ATOM 72 C GLY A 23 26.217 25.839 48.439 1.00 58.26 C ATOM 73 O GLY A 23 26.022 24.655 48.731 1.00 56.87 O ATOM 0 H GLY A 23 28.037 28.324 48.464 1.00 59.74 H new ATOM 0 HA2 GLY A 23 27.867 26.477 47.391 1.00 58.93 H new ATOM 0 HA3 GLY A 23 28.252 25.767 48.724 1.00 58.93 H new ATOM 74 N GLN A 24 25.228 26.697 48.200 1.00 57.41 N ATOM 75 CA GLN A 24 23.829 26.305 48.277 1.00 56.66 C ATOM 76 C GLN A 24 23.207 26.072 46.894 1.00 55.38 C ATOM 77 O GLN A 24 22.116 25.510 46.791 1.00 56.21 O ATOM 78 CB GLN A 24 23.027 27.390 49.014 1.00 58.57 C ATOM 79 CG GLN A 24 23.509 27.701 50.434 1.00 60.13 C ATOM 80 CD GLN A 24 22.785 28.899 51.054 1.00 61.81 C ATOM 81 OE1 GLN A 24 21.816 29.453 50.323 1.00 61.76 O flip ATOM 82 NE2 GLN A 24 23.095 29.319 52.172 1.00 62.13 N flip ATOM 0 H GLN A 24 25.352 27.521 47.989 1.00 57.41 H new ATOM 0 HA GLN A 24 23.794 25.465 48.761 1.00 56.66 H new ATOM 0 HB2 GLN A 24 23.057 28.206 48.491 1.00 58.57 H new ATOM 0 HB3 GLN A 24 22.098 27.114 49.056 1.00 58.57 H new ATOM 0 HG2 GLN A 24 23.375 26.921 50.995 1.00 60.13 H new ATOM 0 HG3 GLN A 24 24.463 27.878 50.417 1.00 60.13 H new ATOM 0 HE21 GLN A 24 23.725 28.937 52.615 1.00 62.13 H new ATOM 0 HE22 GLN A 24 22.681 29.994 52.508 1.00 62.13 H new ATOM 83 N GLU A 25 23.906 26.489 45.840 1.00 52.85 N ATOM 84 CA GLU A 25 23.403 26.363 44.470 1.00 50.37 C ATOM 85 C GLU A 25 24.511 26.021 43.472 1.00 46.80 C ATOM 86 O GLU A 25 25.694 26.172 43.778 1.00 46.40 O ATOM 87 CB GLU A 25 22.727 27.676 44.070 1.00 52.90 C ATOM 88 CG GLU A 25 23.605 28.899 44.302 1.00 55.55 C ATOM 89 CD GLU A 25 22.819 30.205 44.310 1.00 58.65 C ATOM 90 OE1 GLU A 25 22.126 30.498 43.309 1.00 59.74 O ATOM 91 OE2 GLU A 25 22.900 30.944 45.318 1.00 60.16 O ATOM 0 H GLU A 25 24.683 26.852 45.897 1.00 52.85 H new ATOM 0 HA GLU A 25 22.767 25.631 44.448 1.00 50.37 H new ATOM 0 HB2 GLU A 25 22.482 27.634 43.132 1.00 52.90 H new ATOM 0 HB3 GLU A 25 21.904 27.776 44.574 1.00 52.90 H new ATOM 0 HG2 GLU A 25 24.069 28.802 45.148 1.00 55.55 H new ATOM 0 HG3 GLU A 25 24.283 28.940 43.610 1.00 55.55 H new ATOM 92 N PRO A 26 24.138 25.556 42.262 1.00 43.48 N ATOM 93 CA PRO A 26 25.085 25.181 41.206 1.00 42.18 C ATOM 94 C PRO A 26 25.876 26.379 40.714 1.00 40.49 C ATOM 95 O PRO A 26 25.386 27.503 40.779 1.00 41.78 O ATOM 96 CB PRO A 26 24.182 24.637 40.088 1.00 41.08 C ATOM 97 CG PRO A 26 22.908 24.302 40.771 1.00 42.75 C ATOM 98 CD PRO A 26 22.755 25.393 41.788 1.00 42.83 C ATOM 0 HA PRO A 26 25.745 24.540 41.514 1.00 42.18 H new ATOM 0 HB2 PRO A 26 24.046 25.297 39.391 1.00 41.08 H new ATOM 0 HB3 PRO A 26 24.573 23.856 39.666 1.00 41.08 H new ATOM 0 HG2 PRO A 26 22.163 24.287 40.150 1.00 42.75 H new ATOM 0 HG3 PRO A 26 22.947 23.428 41.189 1.00 42.75 H new ATOM 0 HD2 PRO A 26 22.406 26.209 41.397 1.00 42.83 H new ATOM 0 HD3 PRO A 26 22.152 25.141 42.505 1.00 42.83 H new ATOM 99 N ILE A 27 27.081 26.146 40.212 1.00 38.49 N ATOM 100 CA ILE A 27 27.871 27.245 39.681 1.00 38.00 C ATOM 101 C ILE A 27 27.459 27.486 38.231 1.00 37.47 C ATOM 102 O ILE A 27 27.698 28.557 37.672 1.00 36.81 O ATOM 103 CB ILE A 27 29.390 26.954 39.719 1.00 37.98 C ATOM 104 CG1 ILE A 27 29.724 25.753 38.833 1.00 38.45 C ATOM 105 CG2 ILE A 27 29.823 26.718 41.149 1.00 38.40 C ATOM 106 CD1 ILE A 27 31.189 25.448 38.738 1.00 38.23 C ATOM 0 H ILE A 27 27.454 25.372 40.170 1.00 38.49 H new ATOM 0 HA ILE A 27 27.704 28.023 40.235 1.00 38.00 H new ATOM 0 HB ILE A 27 29.875 27.719 39.372 1.00 37.98 H new ATOM 0 HG12 ILE A 27 29.263 24.972 39.177 1.00 38.45 H new ATOM 0 HG13 ILE A 27 29.379 25.916 37.941 1.00 38.45 H new ATOM 0 HG21 ILE A 27 30.775 26.536 41.173 1.00 38.40 H new ATOM 0 HG22 ILE A 27 29.632 27.507 41.680 1.00 38.40 H new ATOM 0 HG23 ILE A 27 29.340 25.960 41.513 1.00 38.40 H new ATOM 0 HD11 ILE A 27 31.323 24.679 38.163 1.00 38.23 H new ATOM 0 HD12 ILE A 27 31.656 26.213 38.367 1.00 38.23 H new ATOM 0 HD13 ILE A 27 31.537 25.255 39.622 1.00 38.23 H new ATOM 107 N ALA A 28 26.822 26.490 37.621 1.00 35.00 N ATOM 108 CA ALA A 28 26.400 26.617 36.233 1.00 33.46 C ATOM 109 C ALA A 28 25.326 25.593 35.872 1.00 33.72 C ATOM 110 O ALA A 28 25.259 24.509 36.460 1.00 31.42 O ATOM 111 CB ALA A 28 27.601 26.446 35.301 1.00 34.35 C ATOM 0 H ALA A 28 26.627 25.739 37.991 1.00 35.00 H new ATOM 0 HA ALA A 28 26.021 27.503 36.123 1.00 33.46 H new ATOM 0 HB1 ALA A 28 27.311 26.532 34.380 1.00 34.35 H new ATOM 0 HB2 ALA A 28 28.262 27.128 35.496 1.00 34.35 H new ATOM 0 HB3 ALA A 28 27.993 25.569 35.435 1.00 34.35 H new ATOM 112 N VAL A 29 24.486 25.965 34.910 1.00 31.69 N ATOM 113 CA VAL A 29 23.423 25.092 34.428 1.00 31.73 C ATOM 114 C VAL A 29 23.438 25.068 32.912 1.00 31.71 C ATOM 115 O VAL A 29 23.501 26.118 32.254 1.00 32.31 O ATOM 116 CB VAL A 29 22.042 25.553 34.903 1.00 32.77 C ATOM 117 CG1 VAL A 29 20.967 24.639 34.312 1.00 33.90 C ATOM 118 CG2 VAL A 29 21.976 25.536 36.423 1.00 30.59 C ATOM 0 H VAL A 29 24.517 26.730 34.519 1.00 31.69 H new ATOM 0 HA VAL A 29 23.586 24.206 34.788 1.00 31.73 H new ATOM 0 HB VAL A 29 21.887 26.462 34.601 1.00 32.77 H new ATOM 0 HG11 VAL A 29 20.092 24.931 34.613 1.00 33.90 H new ATOM 0 HG12 VAL A 29 21.005 24.678 33.344 1.00 33.90 H new ATOM 0 HG13 VAL A 29 21.121 23.727 34.604 1.00 33.90 H new ATOM 0 HG21 VAL A 29 21.098 25.829 36.712 1.00 30.59 H new ATOM 0 HG22 VAL A 29 22.137 24.635 36.744 1.00 30.59 H new ATOM 0 HG23 VAL A 29 22.651 26.133 36.783 1.00 30.59 H new ATOM 119 N MET A 30 23.429 23.869 32.346 1.00 29.53 N ATOM 120 CA MET A 30 23.424 23.707 30.909 1.00 29.46 C ATOM 121 C MET A 30 22.140 22.988 30.517 1.00 31.69 C ATOM 122 O MET A 30 21.680 22.084 31.222 1.00 30.61 O ATOM 123 CB MET A 30 24.641 22.912 30.459 1.00 30.09 C ATOM 124 CG MET A 30 25.956 23.573 30.830 1.00 32.17 C ATOM 125 SD MET A 30 27.323 22.436 30.695 1.00 37.80 S ATOM 126 CE MET A 30 27.137 21.537 32.272 1.00 34.75 C ATOM 0 H MET A 30 23.426 23.130 32.787 1.00 29.53 H new ATOM 0 HA MET A 30 23.463 24.574 30.476 1.00 29.46 H new ATOM 0 HB2 MET A 30 24.607 22.027 30.855 1.00 30.09 H new ATOM 0 HB3 MET A 30 24.605 22.793 29.497 1.00 30.09 H new ATOM 0 HG2 MET A 30 26.110 24.336 30.251 1.00 32.17 H new ATOM 0 HG3 MET A 30 25.904 23.912 31.738 1.00 32.17 H new ATOM 0 HE1 MET A 30 27.891 21.736 32.849 1.00 34.75 H new ATOM 0 HE2 MET A 30 26.315 21.813 32.707 1.00 34.75 H new ATOM 0 HE3 MET A 30 27.106 20.583 32.099 1.00 34.75 H new ATOM 127 N THR A 31 21.549 23.407 29.404 1.00 29.33 N ATOM 128 CA THR A 31 20.320 22.786 28.940 1.00 32.01 C ATOM 129 C THR A 31 20.570 22.167 27.577 1.00 33.12 C ATOM 130 O THR A 31 21.258 22.758 26.742 1.00 33.04 O ATOM 131 CB THR A 31 19.198 23.822 28.892 1.00 33.53 C ATOM 132 OG1 THR A 31 19.048 24.395 30.201 1.00 34.74 O ATOM 133 CG2 THR A 31 17.886 23.176 28.494 1.00 34.83 C ATOM 0 H THR A 31 21.842 24.045 28.907 1.00 29.33 H new ATOM 0 HA THR A 31 20.043 22.086 29.552 1.00 32.01 H new ATOM 0 HB THR A 31 19.425 24.501 28.238 1.00 33.53 H new ATOM 0 HG1 THR A 31 19.614 25.006 30.306 1.00 34.74 H new ATOM 0 HG21 THR A 31 17.188 23.849 28.469 1.00 34.83 H new ATOM 0 HG22 THR A 31 17.977 22.773 27.616 1.00 34.83 H new ATOM 0 HG23 THR A 31 17.652 22.492 29.141 1.00 34.83 H new ATOM 134 N PHE A 32 20.042 20.963 27.357 1.00 32.00 N ATOM 135 CA PHE A 32 20.253 20.262 26.103 1.00 34.98 C ATOM 136 C PHE A 32 18.971 19.778 25.451 1.00 36.71 C ATOM 137 O PHE A 32 17.976 19.505 26.128 1.00 34.91 O ATOM 138 CB PHE A 32 21.166 19.043 26.297 1.00 33.72 C ATOM 139 CG PHE A 32 22.525 19.371 26.845 1.00 32.70 C ATOM 140 CD1 PHE A 32 22.695 19.660 28.199 1.00 30.94 C ATOM 141 CD2 PHE A 32 23.639 19.382 26.008 1.00 32.22 C ATOM 142 CE1 PHE A 32 23.959 19.953 28.703 1.00 30.47 C ATOM 143 CE2 PHE A 32 24.913 19.675 26.505 1.00 31.21 C ATOM 144 CZ PHE A 32 25.070 19.960 27.856 1.00 29.11 C ATOM 0 H PHE A 32 19.558 20.538 27.926 1.00 32.00 H new ATOM 0 HA PHE A 32 20.665 20.918 25.519 1.00 34.98 H new ATOM 0 HB2 PHE A 32 20.730 18.417 26.896 1.00 33.72 H new ATOM 0 HB3 PHE A 32 21.272 18.593 25.444 1.00 33.72 H new ATOM 0 HD1 PHE A 32 21.960 19.657 28.768 1.00 30.94 H new ATOM 0 HD2 PHE A 32 23.534 19.191 25.104 1.00 32.22 H new ATOM 0 HE1 PHE A 32 24.064 20.145 29.607 1.00 30.47 H new ATOM 0 HE2 PHE A 32 25.649 19.679 25.936 1.00 31.21 H new ATOM 0 HZ PHE A 32 25.913 20.155 28.196 1.00 29.11 H new ATOM 145 N ASP A 33 19.020 19.688 24.121 1.00 39.35 N ATOM 146 CA ASP A 33 17.899 19.203 23.318 1.00 42.01 C ATOM 147 C ASP A 33 18.111 17.702 23.181 1.00 42.94 C ATOM 148 O ASP A 33 18.975 17.254 22.427 1.00 42.65 O ATOM 149 CB ASP A 33 17.918 19.841 21.929 1.00 43.33 C ATOM 150 CG ASP A 33 16.836 19.289 21.020 1.00 46.46 C ATOM 151 OD1 ASP A 33 16.471 18.104 21.168 1.00 46.27 O ATOM 152 OD2 ASP A 33 16.361 20.036 20.137 1.00 48.05 O ATOM 0 H ASP A 33 19.710 19.909 23.657 1.00 39.35 H new ATOM 0 HA ASP A 33 17.050 19.422 23.733 1.00 42.01 H new ATOM 0 HB2 ASP A 33 17.805 20.800 22.016 1.00 43.33 H new ATOM 0 HB3 ASP A 33 18.785 19.694 21.521 1.00 43.33 H new ATOM 153 N LEU A 34 17.327 16.931 23.923 1.00 45.52 N ATOM 154 CA LEU A 34 17.445 15.480 23.906 1.00 48.17 C ATOM 155 C LEU A 34 17.402 14.899 22.503 1.00 50.10 C ATOM 156 O LEU A 34 18.162 13.985 22.180 1.00 49.83 O ATOM 157 CB LEU A 34 16.338 14.869 24.761 1.00 48.43 C ATOM 158 CG LEU A 34 16.780 14.045 25.976 1.00 49.63 C ATOM 159 CD1 LEU A 34 18.147 14.504 26.449 1.00 49.29 C ATOM 160 CD2 LEU A 34 15.741 14.178 27.079 1.00 49.17 C ATOM 0 H LEU A 34 16.715 17.232 24.447 1.00 45.52 H new ATOM 0 HA LEU A 34 18.315 15.257 24.273 1.00 48.17 H new ATOM 0 HB2 LEU A 34 15.766 15.587 25.074 1.00 48.43 H new ATOM 0 HB3 LEU A 34 15.795 14.302 24.192 1.00 48.43 H new ATOM 0 HG LEU A 34 16.851 13.110 25.730 1.00 49.63 H new ATOM 0 HD11 LEU A 34 18.418 13.977 27.217 1.00 49.29 H new ATOM 0 HD12 LEU A 34 18.793 14.388 25.734 1.00 49.29 H new ATOM 0 HD13 LEU A 34 18.106 15.441 26.698 1.00 49.29 H new ATOM 0 HD21 LEU A 34 16.018 13.658 27.849 1.00 49.17 H new ATOM 0 HD22 LEU A 34 15.656 15.110 27.333 1.00 49.17 H new ATOM 0 HD23 LEU A 34 14.886 13.851 26.759 1.00 49.17 H new ATOM 161 N THR A 35 16.524 15.437 21.664 1.00 52.11 N ATOM 162 CA THR A 35 16.391 14.945 20.297 1.00 54.14 C ATOM 163 C THR A 35 17.611 15.224 19.427 1.00 55.23 C ATOM 164 O THR A 35 17.762 14.631 18.360 1.00 56.15 O ATOM 165 CB THR A 35 15.163 15.555 19.602 1.00 53.85 C ATOM 166 OG1 THR A 35 15.368 16.960 19.417 1.00 54.80 O ATOM 167 CG2 THR A 35 13.918 15.339 20.443 1.00 54.04 C ATOM 0 H THR A 35 15.997 16.086 21.865 1.00 52.11 H new ATOM 0 HA THR A 35 16.294 13.984 20.387 1.00 54.14 H new ATOM 0 HB THR A 35 15.044 15.122 18.742 1.00 53.85 H new ATOM 0 HG1 THR A 35 15.435 17.335 20.166 1.00 54.80 H new ATOM 0 HG21 THR A 35 13.152 15.728 19.993 1.00 54.04 H new ATOM 0 HG22 THR A 35 13.771 14.388 20.566 1.00 54.04 H new ATOM 0 HG23 THR A 35 14.034 15.762 21.308 1.00 54.04 H new ATOM 168 N LYS A 36 18.480 16.124 19.869 1.00 56.15 N ATOM 169 CA LYS A 36 19.668 16.451 19.089 1.00 57.81 C ATOM 170 C LYS A 36 20.923 15.765 19.612 1.00 58.34 C ATOM 171 O LYS A 36 22.003 15.902 19.035 1.00 58.93 O ATOM 172 CB LYS A 36 19.863 17.972 19.055 1.00 58.37 C ATOM 173 CG LYS A 36 18.710 18.686 18.365 1.00 59.54 C ATOM 174 CD LYS A 36 18.806 20.196 18.446 1.00 61.11 C ATOM 175 CE LYS A 36 17.626 20.841 17.719 1.00 61.49 C ATOM 176 NZ LYS A 36 17.640 22.331 17.800 1.00 62.13 N ATOM 0 H LYS A 36 18.403 16.553 20.610 1.00 56.15 H new ATOM 0 HA LYS A 36 19.524 16.118 18.189 1.00 57.81 H new ATOM 0 HB2 LYS A 36 19.951 18.305 19.962 1.00 58.37 H new ATOM 0 HB3 LYS A 36 20.691 18.180 18.595 1.00 58.37 H new ATOM 0 HG2 LYS A 36 18.684 18.419 17.433 1.00 59.54 H new ATOM 0 HG3 LYS A 36 17.874 18.399 18.765 1.00 59.54 H new ATOM 0 HD2 LYS A 36 18.815 20.477 19.374 1.00 61.11 H new ATOM 0 HD3 LYS A 36 19.640 20.495 18.051 1.00 61.11 H new ATOM 0 HE2 LYS A 36 17.640 20.572 16.787 1.00 61.49 H new ATOM 0 HE3 LYS A 36 16.797 20.509 18.098 1.00 61.49 H new ATOM 0 HZ1 LYS A 36 16.937 22.659 17.364 1.00 62.13 H new ATOM 0 HZ2 LYS A 36 17.603 22.583 18.653 1.00 62.13 H new ATOM 0 HZ3 LYS A 36 18.388 22.642 17.431 1.00 62.13 H new ATOM 177 N ILE A 37 20.767 15.008 20.693 1.00 58.40 N ATOM 178 CA ILE A 37 21.877 14.296 21.313 1.00 58.47 C ATOM 179 C ILE A 37 22.329 13.085 20.498 1.00 58.22 C ATOM 180 O ILE A 37 21.519 12.248 20.112 1.00 58.28 O ATOM 181 CB ILE A 37 21.482 13.844 22.735 1.00 58.88 C ATOM 182 CG1 ILE A 37 21.246 15.080 23.609 1.00 59.43 C ATOM 183 CG2 ILE A 37 22.558 12.944 23.325 1.00 59.03 C ATOM 184 CD1 ILE A 37 20.687 14.775 24.975 1.00 60.28 C ATOM 0 H ILE A 37 20.012 14.893 21.088 1.00 58.40 H new ATOM 0 HA ILE A 37 22.624 14.914 21.352 1.00 58.47 H new ATOM 0 HB ILE A 37 20.661 13.328 22.698 1.00 58.88 H new ATOM 0 HG12 ILE A 37 22.085 15.555 23.713 1.00 59.43 H new ATOM 0 HG13 ILE A 37 20.637 15.678 23.148 1.00 59.43 H new ATOM 0 HG21 ILE A 37 22.296 12.668 24.217 1.00 59.03 H new ATOM 0 HG22 ILE A 37 22.668 12.160 22.764 1.00 59.03 H new ATOM 0 HG23 ILE A 37 23.397 13.429 23.370 1.00 59.03 H new ATOM 0 HD11 ILE A 37 20.565 15.602 25.467 1.00 60.28 H new ATOM 0 HD12 ILE A 37 19.832 14.326 24.882 1.00 60.28 H new ATOM 0 HD13 ILE A 37 21.303 14.201 25.456 1.00 60.28 H new ATOM 185 N THR A 38 23.628 12.997 20.240 1.00 57.71 N ATOM 186 CA THR A 38 24.184 11.883 19.477 1.00 57.15 C ATOM 187 C THR A 38 25.242 11.167 20.313 1.00 55.96 C ATOM 188 O THR A 38 25.550 9.997 20.090 1.00 56.65 O ATOM 189 CB THR A 38 24.839 12.376 18.183 1.00 57.86 C ATOM 190 OG1 THR A 38 25.941 13.233 18.506 1.00 58.53 O ATOM 191 CG2 THR A 38 23.828 13.153 17.337 1.00 58.44 C ATOM 0 H THR A 38 24.209 13.575 20.499 1.00 57.71 H new ATOM 0 HA THR A 38 23.458 11.279 19.256 1.00 57.15 H new ATOM 0 HB THR A 38 25.151 11.609 17.677 1.00 57.86 H new ATOM 0 HG1 THR A 38 25.731 13.729 19.151 1.00 58.53 H new ATOM 0 HG21 THR A 38 24.255 13.459 16.522 1.00 58.44 H new ATOM 0 HG22 THR A 38 23.081 12.576 17.113 1.00 58.44 H new ATOM 0 HG23 THR A 38 23.505 13.918 17.839 1.00 58.44 H new ATOM 192 N LYS A 39 25.794 11.900 21.270 1.00 53.54 N ATOM 193 CA LYS A 39 26.818 11.399 22.175 1.00 51.56 C ATOM 194 C LYS A 39 26.235 11.459 23.577 1.00 48.68 C ATOM 195 O LYS A 39 25.881 12.530 24.051 1.00 48.68 O ATOM 196 CB LYS A 39 28.053 12.295 22.089 1.00 52.88 C ATOM 197 CG LYS A 39 29.078 12.070 23.172 1.00 54.65 C ATOM 198 CD LYS A 39 30.352 12.836 22.862 1.00 55.27 C ATOM 199 CE LYS A 39 31.432 12.541 23.889 1.00 56.67 C ATOM 200 NZ LYS A 39 32.732 13.179 23.522 1.00 57.56 N ATOM 0 H LYS A 39 25.579 12.720 21.415 1.00 53.54 H new ATOM 0 HA LYS A 39 27.079 10.493 21.947 1.00 51.56 H new ATOM 0 HB2 LYS A 39 28.477 12.158 21.227 1.00 52.88 H new ATOM 0 HB3 LYS A 39 27.767 13.221 22.120 1.00 52.88 H new ATOM 0 HG2 LYS A 39 28.721 12.356 24.027 1.00 54.65 H new ATOM 0 HG3 LYS A 39 29.274 11.123 23.249 1.00 54.65 H new ATOM 0 HD2 LYS A 39 30.669 12.597 21.977 1.00 55.27 H new ATOM 0 HD3 LYS A 39 30.165 13.788 22.849 1.00 55.27 H new ATOM 0 HE2 LYS A 39 31.148 12.862 24.759 1.00 56.67 H new ATOM 0 HE3 LYS A 39 31.552 11.582 23.966 1.00 56.67 H new ATOM 0 HZ1 LYS A 39 33.342 12.988 24.141 1.00 57.56 H new ATOM 0 HZ2 LYS A 39 33.003 12.868 22.733 1.00 57.56 H new ATOM 0 HZ3 LYS A 39 32.626 14.061 23.472 1.00 57.56 H new ATOM 201 N THR A 40 26.131 10.314 24.240 1.00 46.77 N ATOM 202 CA THR A 40 25.566 10.287 25.579 1.00 43.55 C ATOM 203 C THR A 40 26.618 10.060 26.648 1.00 41.24 C ATOM 204 O THR A 40 26.465 9.180 27.499 1.00 41.77 O ATOM 205 CB THR A 40 24.491 9.194 25.708 1.00 44.41 C ATOM 206 OG1 THR A 40 25.061 7.927 25.354 1.00 46.60 O ATOM 207 CG2 THR A 40 23.319 9.492 24.785 1.00 44.40 C ATOM 0 H THR A 40 26.379 9.549 23.935 1.00 46.77 H new ATOM 0 HA THR A 40 25.168 11.161 25.717 1.00 43.55 H new ATOM 0 HB THR A 40 24.173 9.172 26.624 1.00 44.41 H new ATOM 0 HG1 THR A 40 24.447 7.388 25.158 1.00 46.60 H new ATOM 0 HG21 THR A 40 22.650 8.796 24.876 1.00 44.40 H new ATOM 0 HG22 THR A 40 22.929 10.348 25.023 1.00 44.40 H new ATOM 0 HG23 THR A 40 23.630 9.522 23.867 1.00 44.40 H new ATOM 208 N SER A 41 27.688 10.842 26.598 1.00 36.94 N ATOM 209 CA SER A 41 28.751 10.721 27.593 1.00 33.61 C ATOM 210 C SER A 41 29.320 12.082 27.945 1.00 30.70 C ATOM 211 O SER A 41 29.184 13.045 27.177 1.00 29.71 O ATOM 212 CB SER A 41 29.880 9.838 27.070 1.00 34.58 C ATOM 213 OG SER A 41 30.484 10.438 25.949 1.00 39.39 O ATOM 0 H SER A 41 27.820 11.447 26.001 1.00 36.94 H new ATOM 0 HA SER A 41 28.363 10.319 28.386 1.00 33.61 H new ATOM 0 HB2 SER A 41 30.541 9.699 27.767 1.00 34.58 H new ATOM 0 HB3 SER A 41 29.533 8.965 26.830 1.00 34.58 H new ATOM 0 HG SER A 41 31.105 9.947 25.668 1.00 39.39 H new ATOM 214 N SER A 42 29.954 12.152 29.113 1.00 26.03 N ATOM 215 CA SER A 42 30.592 13.366 29.605 1.00 25.02 C ATOM 216 C SER A 42 31.861 12.967 30.338 1.00 26.28 C ATOM 217 O SER A 42 31.966 11.862 30.891 1.00 26.38 O ATOM 218 CB SER A 42 29.673 14.134 30.566 1.00 22.95 C ATOM 219 OG SER A 42 28.431 14.438 29.979 1.00 26.66 O ATOM 0 H SER A 42 30.026 11.483 29.649 1.00 26.03 H new ATOM 0 HA SER A 42 30.788 13.947 28.853 1.00 25.02 H new ATOM 0 HB2 SER A 42 29.530 13.606 31.367 1.00 22.95 H new ATOM 0 HB3 SER A 42 30.109 14.955 30.842 1.00 22.95 H new ATOM 0 HG SER A 42 28.009 14.969 30.474 1.00 26.66 H new ATOM 220 N SER A 43 32.838 13.857 30.340 1.00 26.74 N ATOM 221 CA SER A 43 34.095 13.590 31.024 1.00 28.49 C ATOM 222 C SER A 43 34.640 14.885 31.604 1.00 27.89 C ATOM 223 O SER A 43 34.333 15.981 31.116 1.00 28.94 O ATOM 224 CB SER A 43 35.103 12.999 30.047 1.00 30.43 C ATOM 225 OG SER A 43 35.132 13.787 28.870 1.00 38.06 O ATOM 0 H SER A 43 32.796 14.623 29.952 1.00 26.74 H new ATOM 0 HA SER A 43 33.941 12.954 31.740 1.00 28.49 H new ATOM 0 HB2 SER A 43 35.984 12.972 30.452 1.00 30.43 H new ATOM 0 HB3 SER A 43 34.862 12.085 29.831 1.00 30.43 H new ATOM 0 HG SER A 43 35.688 13.464 28.330 1.00 38.06 H new ATOM 226 N PHE A 44 35.443 14.760 32.650 1.00 26.62 N ATOM 227 CA PHE A 44 36.033 15.931 33.280 1.00 26.68 C ATOM 228 C PHE A 44 37.071 15.484 34.287 1.00 27.56 C ATOM 229 O PHE A 44 37.218 14.294 34.553 1.00 27.24 O ATOM 230 CB PHE A 44 34.944 16.744 33.975 1.00 26.77 C ATOM 231 CG PHE A 44 34.177 15.961 35.018 1.00 27.09 C ATOM 232 CD1 PHE A 44 34.665 15.836 36.308 1.00 28.23 C ATOM 233 CD2 PHE A 44 33.006 15.305 34.680 1.00 29.08 C ATOM 234 CE1 PHE A 44 33.994 15.055 37.252 1.00 28.24 C ATOM 235 CE2 PHE A 44 32.330 14.525 35.622 1.00 29.60 C ATOM 236 CZ PHE A 44 32.826 14.400 36.898 1.00 26.71 C ATOM 0 H PHE A 44 35.659 14.009 33.010 1.00 26.62 H new ATOM 0 HA PHE A 44 36.457 16.486 32.607 1.00 26.68 H new ATOM 0 HB2 PHE A 44 35.348 17.519 34.396 1.00 26.77 H new ATOM 0 HB3 PHE A 44 34.322 17.075 33.308 1.00 26.77 H new ATOM 0 HD1 PHE A 44 35.448 16.277 36.548 1.00 28.23 H new ATOM 0 HD2 PHE A 44 32.666 15.384 33.818 1.00 29.08 H new ATOM 0 HE1 PHE A 44 34.330 14.975 38.115 1.00 28.24 H new ATOM 0 HE2 PHE A 44 31.543 14.090 35.385 1.00 29.60 H new ATOM 0 HZ PHE A 44 32.378 13.876 37.523 1.00 26.71 H new ATOM 237 N GLU A 45 37.827 16.435 34.808 1.00 27.22 N ATOM 238 CA GLU A 45 38.817 16.135 35.823 1.00 28.67 C ATOM 239 C GLU A 45 38.382 16.938 37.029 1.00 27.93 C ATOM 240 O GLU A 45 37.839 18.050 36.899 1.00 27.75 O ATOM 241 CB GLU A 45 40.229 16.523 35.362 1.00 30.37 C ATOM 242 CG GLU A 45 40.701 15.718 34.157 1.00 34.66 C ATOM 243 CD GLU A 45 42.164 15.965 33.798 1.00 38.63 C ATOM 244 OE1 GLU A 45 42.796 16.851 34.416 1.00 41.61 O ATOM 245 OE2 GLU A 45 42.680 15.269 32.894 1.00 40.56 O ATOM 0 H GLU A 45 37.782 17.265 34.586 1.00 27.22 H new ATOM 0 HA GLU A 45 38.866 15.186 36.018 1.00 28.67 H new ATOM 0 HB2 GLU A 45 40.244 17.467 35.140 1.00 30.37 H new ATOM 0 HB3 GLU A 45 40.851 16.394 36.095 1.00 30.37 H new ATOM 0 HG2 GLU A 45 40.574 14.773 34.338 1.00 34.66 H new ATOM 0 HG3 GLU A 45 40.146 15.937 33.392 1.00 34.66 H new ATOM 246 N VAL A 46 38.559 16.346 38.200 1.00 26.84 N ATOM 247 CA VAL A 46 38.185 16.993 39.447 1.00 27.29 C ATOM 248 C VAL A 46 39.299 16.762 40.477 1.00 27.29 C ATOM 249 O VAL A 46 39.999 15.747 40.442 1.00 26.40 O ATOM 250 CB VAL A 46 36.825 16.436 39.974 1.00 28.08 C ATOM 251 CG1 VAL A 46 36.948 14.944 40.311 1.00 27.25 C ATOM 252 CG2 VAL A 46 36.364 17.244 41.176 1.00 29.00 C ATOM 0 H VAL A 46 38.898 15.561 38.295 1.00 26.84 H new ATOM 0 HA VAL A 46 38.073 17.945 39.296 1.00 27.29 H new ATOM 0 HB VAL A 46 36.155 16.523 39.278 1.00 28.08 H new ATOM 0 HG11 VAL A 46 36.096 14.614 40.636 1.00 27.25 H new ATOM 0 HG12 VAL A 46 37.202 14.452 39.514 1.00 27.25 H new ATOM 0 HG13 VAL A 46 37.624 14.821 40.995 1.00 27.25 H new ATOM 0 HG21 VAL A 46 35.519 16.892 41.498 1.00 29.00 H new ATOM 0 HG22 VAL A 46 37.028 17.184 41.881 1.00 29.00 H new ATOM 0 HG23 VAL A 46 36.250 18.172 40.918 1.00 29.00 H new ATOM 253 N ARG A 47 39.478 17.737 41.358 1.00 28.45 N ATOM 254 CA ARG A 47 40.493 17.675 42.404 1.00 29.87 C ATOM 255 C ARG A 47 39.842 18.241 43.649 1.00 28.75 C ATOM 256 O ARG A 47 39.168 19.272 43.580 1.00 29.41 O ATOM 257 CB ARG A 47 41.719 18.521 42.016 1.00 32.06 C ATOM 258 CG ARG A 47 42.882 18.395 42.985 1.00 38.78 C ATOM 259 CD ARG A 47 44.043 19.313 42.610 1.00 44.00 C ATOM 260 NE ARG A 47 43.652 20.719 42.661 1.00 48.15 N ATOM 261 CZ ARG A 47 44.454 21.734 42.349 1.00 50.60 C ATOM 262 NH1 ARG A 47 45.702 21.502 41.965 1.00 50.36 N ATOM 263 NH2 ARG A 47 44.002 22.984 42.406 1.00 51.01 N ATOM 0 H ARG A 47 39.011 18.459 41.367 1.00 28.45 H new ATOM 0 HA ARG A 47 40.803 16.766 42.542 1.00 29.87 H new ATOM 0 HB2 ARG A 47 42.016 18.258 41.131 1.00 32.06 H new ATOM 0 HB3 ARG A 47 41.454 19.453 41.961 1.00 32.06 H new ATOM 0 HG2 ARG A 47 42.579 18.608 43.882 1.00 38.78 H new ATOM 0 HG3 ARG A 47 43.190 17.475 43.001 1.00 38.78 H new ATOM 0 HD2 ARG A 47 44.786 19.160 43.215 1.00 44.00 H new ATOM 0 HD3 ARG A 47 44.354 19.095 41.718 1.00 44.00 H new ATOM 0 HE ARG A 47 42.850 20.903 42.909 1.00 48.15 H new ATOM 0 HH11 ARG A 47 45.994 20.695 41.917 1.00 50.36 H new ATOM 0 HH12 ARG A 47 46.219 22.159 41.764 1.00 50.36 H new ATOM 0 HH21 ARG A 47 43.190 23.137 42.645 1.00 51.01 H new ATOM 0 HH22 ARG A 47 44.522 23.639 42.204 1.00 51.01 H new ATOM 264 N THR A 48 40.023 17.583 44.795 1.00 27.31 N ATOM 265 CA THR A 48 39.396 18.075 46.015 1.00 26.36 C ATOM 266 C THR A 48 39.880 17.325 47.259 1.00 28.03 C ATOM 267 O THR A 48 40.370 16.197 47.138 1.00 26.69 O ATOM 268 CB THR A 48 37.874 17.871 45.910 1.00 26.03 C ATOM 269 OG1 THR A 48 37.223 18.377 47.072 1.00 27.79 O ATOM 270 CG2 THR A 48 37.557 16.371 45.778 1.00 26.21 C ATOM 0 H THR A 48 40.493 16.868 44.885 1.00 27.31 H new ATOM 0 HA THR A 48 39.632 19.011 46.106 1.00 26.36 H new ATOM 0 HB THR A 48 37.555 18.348 45.128 1.00 26.03 H new ATOM 0 HG1 THR A 48 37.211 19.216 47.044 1.00 27.79 H new ATOM 0 HG21 THR A 48 36.597 16.247 45.712 1.00 26.21 H new ATOM 0 HG22 THR A 48 37.983 16.019 44.981 1.00 26.21 H new ATOM 0 HG23 THR A 48 37.890 15.900 46.558 1.00 26.21 H new ATOM 271 N TRP A 49 39.736 17.958 48.432 1.00 28.87 N ATOM 272 CA TRP A 49 40.056 17.349 49.734 1.00 30.88 C ATOM 273 C TRP A 49 38.720 17.211 50.483 1.00 30.77 C ATOM 274 O TRP A 49 38.667 16.807 51.658 1.00 31.52 O ATOM 275 CB TRP A 49 40.984 18.249 50.581 1.00 34.61 C ATOM 276 CG TRP A 49 42.374 18.441 50.027 1.00 37.36 C ATOM 277 CD1 TRP A 49 42.830 19.510 49.305 1.00 38.55 C ATOM 278 CD2 TRP A 49 43.459 17.510 50.090 1.00 39.53 C ATOM 279 NE1 TRP A 49 44.127 19.296 48.909 1.00 40.82 N ATOM 280 CE2 TRP A 49 44.537 18.076 49.377 1.00 40.46 C ATOM 281 CE3 TRP A 49 43.624 16.252 50.675 1.00 40.34 C ATOM 282 CZ2 TRP A 49 45.762 17.427 49.235 1.00 42.09 C ATOM 283 CZ3 TRP A 49 44.846 15.606 50.531 1.00 42.99 C ATOM 284 CH2 TRP A 49 45.897 16.197 49.817 1.00 42.76 C ATOM 0 H TRP A 49 39.445 18.765 48.494 1.00 28.87 H new ATOM 0 HA TRP A 49 40.509 16.503 49.593 1.00 30.88 H new ATOM 0 HB2 TRP A 49 40.567 19.119 50.677 1.00 34.61 H new ATOM 0 HB3 TRP A 49 41.056 17.869 51.471 1.00 34.61 H new ATOM 0 HD1 TRP A 49 42.333 20.272 49.111 1.00 38.55 H new ATOM 0 HE1 TRP A 49 44.604 19.839 48.443 1.00 40.82 H new ATOM 0 HE3 TRP A 49 42.930 15.855 51.151 1.00 40.34 H new ATOM 0 HZ2 TRP A 49 46.462 17.816 48.762 1.00 42.09 H new ATOM 0 HZ3 TRP A 49 44.968 14.768 50.915 1.00 42.99 H new ATOM 0 HH2 TRP A 49 46.704 15.742 49.737 1.00 42.76 H new ATOM 285 N ASP A 50 37.633 17.551 49.797 1.00 28.60 N ATOM 286 CA ASP A 50 36.289 17.520 50.380 1.00 26.24 C ATOM 287 C ASP A 50 35.710 16.103 50.224 1.00 25.23 C ATOM 288 O ASP A 50 35.602 15.609 49.120 1.00 24.59 O ATOM 289 CB ASP A 50 35.419 18.545 49.639 1.00 26.70 C ATOM 290 CG ASP A 50 34.113 18.855 50.354 1.00 28.46 C ATOM 291 OD1 ASP A 50 33.658 18.052 51.197 1.00 30.18 O ATOM 292 OD2 ASP A 50 33.517 19.915 50.059 1.00 29.81 O ATOM 0 H ASP A 50 37.652 17.808 48.976 1.00 28.60 H new ATOM 0 HA ASP A 50 36.314 17.743 51.324 1.00 26.24 H new ATOM 0 HB2 ASP A 50 35.922 19.367 49.528 1.00 26.70 H new ATOM 0 HB3 ASP A 50 35.222 18.210 48.750 1.00 26.70 H new ATOM 293 N PRO A 51 35.334 15.437 51.329 1.00 25.78 N ATOM 294 CA PRO A 51 34.789 14.082 51.184 1.00 25.28 C ATOM 295 C PRO A 51 33.307 13.990 50.796 1.00 24.42 C ATOM 296 O PRO A 51 32.810 12.886 50.527 1.00 24.29 O ATOM 297 CB PRO A 51 35.028 13.474 52.568 1.00 27.85 C ATOM 298 CG PRO A 51 34.757 14.648 53.480 1.00 28.44 C ATOM 299 CD PRO A 51 35.440 15.821 52.752 1.00 27.81 C ATOM 0 HA PRO A 51 35.220 13.624 50.446 1.00 25.28 H new ATOM 0 HB2 PRO A 51 34.430 12.731 52.746 1.00 27.85 H new ATOM 0 HB3 PRO A 51 35.933 13.140 52.666 1.00 27.85 H new ATOM 0 HG2 PRO A 51 33.806 14.802 53.594 1.00 28.44 H new ATOM 0 HG3 PRO A 51 35.130 14.509 54.365 1.00 28.44 H new ATOM 0 HD2 PRO A 51 34.994 16.663 52.931 1.00 27.81 H new ATOM 0 HD3 PRO A 51 36.364 15.926 53.028 1.00 27.81 H new ATOM 300 N GLU A 52 32.599 15.120 50.770 1.00 22.74 N ATOM 301 CA GLU A 52 31.164 15.082 50.474 1.00 22.75 C ATOM 302 C GLU A 52 30.663 16.281 49.689 1.00 23.72 C ATOM 303 O GLU A 52 31.022 17.430 49.970 1.00 22.64 O ATOM 304 CB GLU A 52 30.355 14.988 51.779 1.00 21.99 C ATOM 305 CG GLU A 52 28.825 14.852 51.617 1.00 25.38 C ATOM 306 CD GLU A 52 28.064 14.636 52.940 1.00 28.86 C ATOM 307 OE1 GLU A 52 28.434 13.732 53.739 1.00 29.26 O ATOM 308 OE2 GLU A 52 27.054 15.344 53.175 1.00 28.44 O ATOM 0 H GLU A 52 32.921 15.904 50.917 1.00 22.74 H new ATOM 0 HA GLU A 52 31.036 14.297 49.919 1.00 22.75 H new ATOM 0 HB2 GLU A 52 30.678 14.226 52.285 1.00 21.99 H new ATOM 0 HB3 GLU A 52 30.537 15.779 52.310 1.00 21.99 H new ATOM 0 HG2 GLU A 52 28.484 15.651 51.186 1.00 25.38 H new ATOM 0 HG3 GLU A 52 28.638 14.108 51.023 1.00 25.38 H new ATOM 309 N GLY A 53 29.810 16.015 48.709 1.00 21.79 N ATOM 310 CA GLY A 53 29.266 17.119 47.950 1.00 20.13 C ATOM 311 C GLY A 53 28.805 16.664 46.591 1.00 21.73 C ATOM 312 O GLY A 53 29.031 15.517 46.182 1.00 22.14 O ATOM 0 H GLY A 53 29.543 15.231 48.476 1.00 21.79 H new ATOM 0 HA2 GLY A 53 28.522 17.512 48.433 1.00 20.13 H new ATOM 0 HA3 GLY A 53 29.938 17.811 47.852 1.00 20.13 H new ATOM 313 N VAL A 54 28.153 17.575 45.878 1.00 20.11 N ATOM 314 CA VAL A 54 27.663 17.249 44.546 1.00 19.19 C ATOM 315 C VAL A 54 28.639 17.669 43.472 1.00 19.30 C ATOM 316 O VAL A 54 29.105 18.811 43.481 1.00 19.80 O ATOM 317 CB VAL A 54 26.334 17.986 44.252 1.00 18.72 C ATOM 318 CG1 VAL A 54 25.906 17.733 42.755 1.00 19.71 C ATOM 319 CG2 VAL A 54 25.271 17.569 45.244 1.00 20.36 C ATOM 0 H VAL A 54 27.986 18.376 46.142 1.00 20.11 H new ATOM 0 HA VAL A 54 27.541 16.287 44.532 1.00 19.19 H new ATOM 0 HB VAL A 54 26.455 18.942 44.360 1.00 18.72 H new ATOM 0 HG11 VAL A 54 25.073 18.196 42.574 1.00 19.71 H new ATOM 0 HG12 VAL A 54 26.596 18.066 42.160 1.00 19.71 H new ATOM 0 HG13 VAL A 54 25.785 16.782 42.609 1.00 19.71 H new ATOM 0 HG21 VAL A 54 24.444 18.038 45.049 1.00 20.36 H new ATOM 0 HG22 VAL A 54 25.124 16.613 45.178 1.00 20.36 H new ATOM 0 HG23 VAL A 54 25.562 17.789 46.143 1.00 20.36 H new ATOM 320 N ILE A 55 28.946 16.759 42.549 1.00 17.34 N ATOM 321 CA ILE A 55 29.803 17.088 41.418 1.00 19.53 C ATOM 322 C ILE A 55 28.837 17.618 40.342 1.00 21.08 C ATOM 323 O ILE A 55 29.026 18.714 39.823 1.00 21.66 O ATOM 324 CB ILE A 55 30.594 15.875 40.938 1.00 19.80 C ATOM 325 CG1 ILE A 55 31.582 15.458 42.043 1.00 22.17 C ATOM 326 CG2 ILE A 55 31.330 16.197 39.623 1.00 23.55 C ATOM 327 CD1 ILE A 55 32.455 14.229 41.698 1.00 25.85 C ATOM 0 H ILE A 55 28.667 15.946 42.562 1.00 17.34 H new ATOM 0 HA ILE A 55 30.479 17.744 41.648 1.00 19.53 H new ATOM 0 HB ILE A 55 29.990 15.138 40.758 1.00 19.80 H new ATOM 0 HG12 ILE A 55 32.164 16.208 42.239 1.00 22.17 H new ATOM 0 HG13 ILE A 55 31.082 15.268 42.852 1.00 22.17 H new ATOM 0 HG21 ILE A 55 31.828 15.417 39.331 1.00 23.55 H new ATOM 0 HG22 ILE A 55 30.684 16.441 38.942 1.00 23.55 H new ATOM 0 HG23 ILE A 55 31.942 16.935 39.767 1.00 23.55 H new ATOM 0 HD11 ILE A 55 33.046 14.033 42.441 1.00 25.85 H new ATOM 0 HD12 ILE A 55 31.884 13.463 41.529 1.00 25.85 H new ATOM 0 HD13 ILE A 55 32.983 14.419 40.907 1.00 25.85 H new ATOM 328 N PHE A 56 27.815 16.845 39.987 1.00 19.29 N ATOM 329 CA PHE A 56 26.801 17.343 39.049 1.00 19.01 C ATOM 330 C PHE A 56 25.456 16.661 39.236 1.00 19.10 C ATOM 331 O PHE A 56 25.354 15.552 39.777 1.00 17.30 O ATOM 332 CB PHE A 56 27.274 17.286 37.566 1.00 18.30 C ATOM 333 CG PHE A 56 27.186 15.925 36.918 1.00 17.85 C ATOM 334 CD1 PHE A 56 25.985 15.461 36.389 1.00 18.26 C ATOM 335 CD2 PHE A 56 28.324 15.142 36.774 1.00 18.61 C ATOM 336 CE1 PHE A 56 25.919 14.231 35.708 1.00 18.08 C ATOM 337 CE2 PHE A 56 28.275 13.911 36.100 1.00 18.44 C ATOM 338 CZ PHE A 56 27.076 13.456 35.564 1.00 19.76 C ATOM 0 H PHE A 56 27.687 16.043 40.269 1.00 19.29 H new ATOM 0 HA PHE A 56 26.677 18.280 39.265 1.00 19.01 H new ATOM 0 HB2 PHE A 56 26.743 17.911 37.047 1.00 18.30 H new ATOM 0 HB3 PHE A 56 28.194 17.591 37.522 1.00 18.30 H new ATOM 0 HD1 PHE A 56 25.214 15.972 36.487 1.00 18.26 H new ATOM 0 HD2 PHE A 56 29.131 15.438 37.129 1.00 18.61 H new ATOM 0 HE1 PHE A 56 25.111 13.935 35.356 1.00 18.08 H new ATOM 0 HE2 PHE A 56 29.046 13.399 36.012 1.00 18.44 H new ATOM 0 HZ PHE A 56 27.043 12.643 35.113 1.00 19.76 H new ATOM 339 N TYR A 57 24.411 17.371 38.831 1.00 17.81 N ATOM 340 CA TYR A 57 23.047 16.887 38.916 1.00 19.79 C ATOM 341 C TYR A 57 22.465 17.030 37.518 1.00 21.87 C ATOM 342 O TYR A 57 22.844 17.943 36.792 1.00 22.80 O ATOM 343 CB TYR A 57 22.262 17.763 39.870 1.00 20.01 C ATOM 344 CG TYR A 57 20.763 17.663 39.722 1.00 22.60 C ATOM 345 CD1 TYR A 57 20.022 16.856 40.573 1.00 22.24 C ATOM 346 CD2 TYR A 57 20.087 18.402 38.755 1.00 22.72 C ATOM 347 CE1 TYR A 57 18.623 16.798 40.471 1.00 25.93 C ATOM 348 CE2 TYR A 57 18.706 18.340 38.642 1.00 26.23 C ATOM 349 CZ TYR A 57 17.979 17.537 39.507 1.00 26.04 C ATOM 350 OH TYR A 57 16.607 17.462 39.407 1.00 25.33 O ATOM 0 H TYR A 57 24.479 18.159 38.494 1.00 17.81 H new ATOM 0 HA TYR A 57 23.011 15.971 39.233 1.00 19.79 H new ATOM 0 HB2 TYR A 57 22.502 17.527 40.780 1.00 20.01 H new ATOM 0 HB3 TYR A 57 22.528 18.686 39.737 1.00 20.01 H new ATOM 0 HD1 TYR A 57 20.457 16.347 41.219 1.00 22.24 H new ATOM 0 HD2 TYR A 57 20.569 18.946 38.175 1.00 22.72 H new ATOM 0 HE1 TYR A 57 18.134 16.262 41.053 1.00 25.93 H new ATOM 0 HE2 TYR A 57 18.269 18.836 37.988 1.00 26.23 H new ATOM 0 HH TYR A 57 16.361 17.793 38.675 1.00 25.33 H new ATOM 351 N GLY A 58 21.568 16.129 37.138 1.00 20.30 N ATOM 352 CA GLY A 58 20.963 16.236 35.821 1.00 21.70 C ATOM 353 C GLY A 58 19.543 15.734 35.872 1.00 23.41 C ATOM 354 O GLY A 58 19.198 14.890 36.711 1.00 19.76 O ATOM 0 H GLY A 58 21.302 15.464 37.615 1.00 20.30 H new ATOM 0 HA2 GLY A 58 20.979 17.159 35.522 1.00 21.70 H new ATOM 0 HA3 GLY A 58 21.475 15.721 35.178 1.00 21.70 H new ATOM 355 N ASP A 59 18.694 16.250 34.982 1.00 23.43 N ATOM 356 CA ASP A 59 17.316 15.790 34.958 1.00 24.92 C ATOM 357 C ASP A 59 16.630 16.107 33.653 1.00 28.27 C ATOM 358 O ASP A 59 17.226 16.712 32.763 1.00 26.30 O ATOM 359 CB ASP A 59 16.495 16.400 36.106 1.00 24.63 C ATOM 360 CG ASP A 59 16.230 17.919 35.942 1.00 26.70 C ATOM 361 OD1 ASP A 59 16.387 18.470 34.828 1.00 28.37 O ATOM 362 OD2 ASP A 59 15.846 18.536 36.954 1.00 27.41 O ATOM 0 H ASP A 59 18.893 16.851 34.400 1.00 23.43 H new ATOM 0 HA ASP A 59 17.358 14.827 35.065 1.00 24.92 H new ATOM 0 HB2 ASP A 59 15.645 15.936 36.168 1.00 24.63 H new ATOM 0 HB3 ASP A 59 16.962 16.249 36.943 1.00 24.63 H new ATOM 363 N THR A 60 15.399 15.614 33.538 1.00 31.31 N ATOM 364 CA THR A 60 14.538 15.904 32.395 1.00 35.04 C ATOM 365 C THR A 60 13.256 16.295 33.102 1.00 37.82 C ATOM 366 O THR A 60 12.306 16.776 32.480 1.00 39.72 O ATOM 367 CB THR A 60 14.235 14.692 31.496 1.00 35.37 C ATOM 368 OG1 THR A 60 13.425 13.756 32.213 1.00 36.69 O ATOM 369 CG2 THR A 60 15.506 14.029 31.029 1.00 35.34 C ATOM 0 H THR A 60 15.038 15.099 34.125 1.00 31.31 H new ATOM 0 HA THR A 60 14.943 16.555 31.800 1.00 35.04 H new ATOM 0 HB THR A 60 13.756 15.002 30.712 1.00 35.37 H new ATOM 0 HG1 THR A 60 13.757 12.987 32.144 1.00 36.69 H new ATOM 0 HG21 THR A 60 15.287 13.270 30.466 1.00 35.34 H new ATOM 0 HG22 THR A 60 16.036 14.665 30.523 1.00 35.34 H new ATOM 0 HG23 THR A 60 16.014 13.725 31.797 1.00 35.34 H new ATOM 370 N ASN A 61 13.244 16.083 34.419 1.00 37.95 N ATOM 371 CA ASN A 61 12.098 16.407 35.262 1.00 37.94 C ATOM 372 C ASN A 61 12.519 16.274 36.724 1.00 38.73 C ATOM 373 O ASN A 61 12.738 15.162 37.224 1.00 36.53 O ATOM 374 CB ASN A 61 10.940 15.446 34.988 1.00 40.72 C ATOM 375 CG ASN A 61 9.670 15.840 35.727 1.00 42.28 C ATOM 376 OD1 ASN A 61 9.719 16.324 36.863 1.00 43.44 O ATOM 377 ND2 ASN A 61 8.520 15.622 35.087 1.00 43.99 N ATOM 0 H ASN A 61 13.907 15.744 34.849 1.00 37.95 H new ATOM 0 HA ASN A 61 11.805 17.311 35.069 1.00 37.94 H new ATOM 0 HB2 ASN A 61 10.762 15.422 34.035 1.00 40.72 H new ATOM 0 HB3 ASN A 61 11.199 14.549 35.251 1.00 40.72 H new ATOM 0 HD21 ASN A 61 7.773 15.820 35.465 1.00 43.99 H new ATOM 0 HD22 ASN A 61 8.525 15.283 34.297 1.00 43.99 H new ATOM 378 N PRO A 62 12.633 17.402 37.436 1.00 38.30 N ATOM 379 CA PRO A 62 13.043 17.321 38.842 1.00 38.58 C ATOM 380 C PRO A 62 12.089 16.478 39.665 1.00 39.30 C ATOM 381 O PRO A 62 12.473 15.893 40.678 1.00 38.13 O ATOM 382 CB PRO A 62 13.078 18.788 39.285 1.00 39.16 C ATOM 383 CG PRO A 62 12.027 19.430 38.411 1.00 39.06 C ATOM 384 CD PRO A 62 12.284 18.785 37.054 1.00 38.27 C ATOM 0 HA PRO A 62 13.899 16.881 38.964 1.00 38.58 H new ATOM 0 HB2 PRO A 62 12.869 18.884 40.227 1.00 39.16 H new ATOM 0 HB3 PRO A 62 13.952 19.185 39.146 1.00 39.16 H new ATOM 0 HG2 PRO A 62 11.130 19.248 38.733 1.00 39.06 H new ATOM 0 HG3 PRO A 62 12.126 20.394 38.377 1.00 39.06 H new ATOM 0 HD2 PRO A 62 11.501 18.818 36.482 1.00 38.27 H new ATOM 0 HD3 PRO A 62 13.005 19.222 36.574 1.00 38.27 H new ATOM 385 N LYS A 63 10.845 16.400 39.206 1.00 39.33 N ATOM 386 CA LYS A 63 9.827 15.621 39.898 1.00 41.02 C ATOM 387 C LYS A 63 10.057 14.108 39.825 1.00 41.11 C ATOM 388 O LYS A 63 10.021 13.424 40.852 1.00 42.98 O ATOM 389 CB LYS A 63 8.432 15.952 39.330 1.00 42.36 C ATOM 390 CG LYS A 63 7.530 16.821 40.227 1.00 42.63 C ATOM 391 CD LYS A 63 6.219 17.200 39.497 1.00 43.35 C ATOM 392 CE LYS A 63 5.263 18.046 40.357 1.00 42.34 C ATOM 393 NZ LYS A 63 4.453 17.268 41.350 1.00 43.58 N ATOM 0 H LYS A 63 10.570 16.793 38.492 1.00 39.33 H new ATOM 0 HA LYS A 63 9.885 15.871 40.833 1.00 41.02 H new ATOM 0 HB2 LYS A 63 8.547 16.405 38.480 1.00 42.36 H new ATOM 0 HB3 LYS A 63 7.970 15.119 39.147 1.00 42.36 H new ATOM 0 HG2 LYS A 63 7.322 16.341 41.044 1.00 42.63 H new ATOM 0 HG3 LYS A 63 8.005 17.627 40.485 1.00 42.63 H new ATOM 0 HD2 LYS A 63 6.437 17.691 38.689 1.00 43.35 H new ATOM 0 HD3 LYS A 63 5.764 16.389 39.222 1.00 43.35 H new ATOM 0 HE2 LYS A 63 5.782 18.713 40.834 1.00 42.34 H new ATOM 0 HE3 LYS A 63 4.658 18.525 39.769 1.00 42.34 H new ATOM 0 HZ1 LYS A 63 3.928 17.824 41.806 1.00 43.58 H new ATOM 0 HZ2 LYS A 63 3.951 16.671 40.921 1.00 43.58 H new ATOM 0 HZ3 LYS A 63 4.998 16.847 41.913 1.00 43.58 H new ATOM 394 N ASP A 64 10.319 13.572 38.633 1.00 38.56 N ATOM 395 CA ASP A 64 10.465 12.126 38.535 1.00 36.21 C ATOM 396 C ASP A 64 11.507 11.533 37.577 1.00 32.04 C ATOM 397 O ASP A 64 11.427 10.347 37.244 1.00 29.45 O ATOM 398 CB ASP A 64 9.108 11.535 38.190 1.00 38.83 C ATOM 399 CG ASP A 64 8.592 12.068 36.900 1.00 40.28 C ATOM 400 OD1 ASP A 64 9.420 12.192 35.978 1.00 42.28 O ATOM 401 OD2 ASP A 64 7.380 12.367 36.799 1.00 43.84 O ATOM 0 H ASP A 64 10.412 14.009 37.898 1.00 38.56 H new ATOM 0 HA ASP A 64 10.814 11.884 39.407 1.00 36.21 H new ATOM 0 HB2 ASP A 64 9.179 10.569 38.137 1.00 38.83 H new ATOM 0 HB3 ASP A 64 8.477 11.735 38.899 1.00 38.83 H new ATOM 402 N ASP A 65 12.458 12.336 37.102 1.00 28.49 N ATOM 403 CA ASP A 65 13.509 11.807 36.240 1.00 26.28 C ATOM 404 C ASP A 65 14.784 12.599 36.500 1.00 24.77 C ATOM 405 O ASP A 65 15.098 13.538 35.744 1.00 23.62 O ATOM 406 CB ASP A 65 13.149 11.935 34.762 1.00 29.80 C ATOM 407 CG ASP A 65 14.216 11.346 33.856 1.00 34.12 C ATOM 408 OD1 ASP A 65 14.187 11.599 32.637 1.00 38.96 O ATOM 409 OD2 ASP A 65 15.096 10.624 34.357 1.00 37.36 O ATOM 0 H ASP A 65 12.512 13.179 37.265 1.00 28.49 H new ATOM 0 HA ASP A 65 13.625 10.865 36.441 1.00 26.28 H new ATOM 0 HB2 ASP A 65 12.304 11.487 34.597 1.00 29.80 H new ATOM 0 HB3 ASP A 65 13.022 12.871 34.542 1.00 29.80 H new ATOM 410 N TRP A 66 15.508 12.236 37.560 1.00 20.14 N ATOM 411 CA TRP A 66 16.738 12.950 37.903 1.00 19.73 C ATOM 412 C TRP A 66 17.900 12.008 38.278 1.00 19.10 C ATOM 413 O TRP A 66 17.694 10.812 38.598 1.00 18.29 O ATOM 414 CB TRP A 66 16.472 13.958 39.039 1.00 18.72 C ATOM 415 CG TRP A 66 16.008 13.319 40.320 1.00 19.03 C ATOM 416 CD1 TRP A 66 14.707 13.092 40.723 1.00 19.55 C ATOM 417 CD2 TRP A 66 16.850 12.812 41.366 1.00 18.26 C ATOM 418 NE1 TRP A 66 14.706 12.471 41.958 1.00 21.35 N ATOM 419 CE2 TRP A 66 16.001 12.292 42.374 1.00 19.14 C ATOM 420 CE3 TRP A 66 18.242 12.747 41.547 1.00 20.51 C ATOM 421 CZ2 TRP A 66 16.496 11.719 43.548 1.00 19.57 C ATOM 422 CZ3 TRP A 66 18.741 12.172 42.718 1.00 21.93 C ATOM 423 CH2 TRP A 66 17.863 11.667 43.705 1.00 20.71 C ATOM 0 H TRP A 66 15.307 11.587 38.087 1.00 20.14 H new ATOM 0 HA TRP A 66 17.016 13.426 37.105 1.00 19.73 H new ATOM 0 HB2 TRP A 66 17.284 14.459 39.213 1.00 18.72 H new ATOM 0 HB3 TRP A 66 15.803 14.596 38.744 1.00 18.72 H new ATOM 0 HD1 TRP A 66 13.948 13.322 40.238 1.00 19.55 H new ATOM 0 HE1 TRP A 66 14.005 12.234 42.396 1.00 21.35 H new ATOM 0 HE3 TRP A 66 18.820 13.081 40.899 1.00 20.51 H new ATOM 0 HZ2 TRP A 66 15.923 11.385 44.200 1.00 19.57 H new ATOM 0 HZ3 TRP A 66 19.660 12.121 42.850 1.00 21.93 H new ATOM 0 HH2 TRP A 66 18.217 11.291 44.478 1.00 20.71 H new ATOM 424 N PHE A 67 19.108 12.570 38.215 1.00 18.42 N ATOM 425 CA PHE A 67 20.372 11.860 38.452 1.00 17.28 C ATOM 426 C PHE A 67 21.376 12.769 39.170 1.00 17.83 C ATOM 427 O PHE A 67 21.421 13.977 38.921 1.00 18.56 O ATOM 428 CB PHE A 67 20.932 11.468 37.080 1.00 16.91 C ATOM 429 CG PHE A 67 22.324 10.853 37.089 1.00 17.93 C ATOM 430 CD1 PHE A 67 22.478 9.480 36.910 1.00 18.80 C ATOM 431 CD2 PHE A 67 23.479 11.647 37.210 1.00 16.81 C ATOM 432 CE1 PHE A 67 23.755 8.881 36.844 1.00 18.38 C ATOM 433 CE2 PHE A 67 24.765 11.063 37.154 1.00 17.53 C ATOM 434 CZ PHE A 67 24.900 9.671 36.968 1.00 18.50 C ATOM 0 H PHE A 67 19.220 13.402 38.027 1.00 18.42 H new ATOM 0 HA PHE A 67 20.220 11.081 39.010 1.00 17.28 H new ATOM 0 HB2 PHE A 67 20.320 10.839 36.667 1.00 16.91 H new ATOM 0 HB3 PHE A 67 20.949 12.258 36.518 1.00 16.91 H new ATOM 0 HD1 PHE A 67 21.721 8.945 36.832 1.00 18.80 H new ATOM 0 HD2 PHE A 67 23.396 12.566 37.328 1.00 16.81 H new ATOM 0 HE1 PHE A 67 23.833 7.963 36.718 1.00 18.38 H new ATOM 0 HE2 PHE A 67 25.522 11.596 37.240 1.00 17.53 H new ATOM 0 HZ PHE A 67 25.744 9.283 36.928 1.00 18.50 H new ATOM 435 N AMET A 68 22.170 12.206 40.076 0.50 16.96 N ATOM 436 N BMET A 68 22.166 12.192 40.066 0.50 17.73 N ATOM 437 CA AMET A 68 23.183 13.010 40.776 0.50 16.53 C ATOM 438 CA BMET A 68 23.183 12.975 40.765 0.50 17.96 C ATOM 439 C AMET A 68 24.452 12.208 40.988 0.50 17.68 C ATOM 440 C BMET A 68 24.460 12.172 40.927 0.50 18.27 C ATOM 441 O AMET A 68 24.387 11.055 41.420 0.50 16.83 O ATOM 442 O BMET A 68 24.409 10.989 41.266 0.50 17.18 O ATOM 443 CB AMET A 68 22.650 13.477 42.136 0.50 17.96 C ATOM 444 CB BMET A 68 22.695 13.379 42.158 0.50 20.97 C ATOM 445 CG AMET A 68 23.597 14.412 42.935 0.50 17.66 C ATOM 446 CG BMET A 68 23.777 14.076 42.998 0.50 23.10 C ATOM 447 SD AMET A 68 24.967 13.636 43.855 0.50 15.75 S ATOM 448 SD BMET A 68 23.731 13.631 44.758 0.50 25.74 S ATOM 449 CE AMET A 68 24.068 12.421 44.864 0.50 19.69 C ATOM 450 CE BMET A 68 24.538 11.975 44.696 0.50 25.60 C ATOM 0 H AMET A 68 22.144 11.376 40.301 0.50 17.73 H new ATOM 0 H BMET A 68 22.133 11.361 40.284 0.50 17.73 H new ATOM 0 HA AMET A 68 23.383 13.783 40.224 0.50 17.96 H new ATOM 0 HA BMET A 68 23.354 13.767 40.232 0.50 17.96 H new ATOM 0 HB2AMET A 68 21.808 13.937 41.996 0.50 20.97 H new ATOM 0 HB2BMET A 68 21.932 13.971 42.068 0.50 20.97 H new ATOM 0 HB3AMET A 68 22.459 12.695 42.678 0.50 20.97 H new ATOM 0 HB3BMET A 68 22.387 12.589 42.629 0.50 20.97 H new ATOM 0 HG2AMET A 68 23.978 15.053 42.315 0.50 23.10 H new ATOM 0 HG2BMET A 68 24.649 13.852 42.638 0.50 23.10 H new ATOM 0 HG3AMET A 68 23.059 14.914 43.567 0.50 23.10 H new ATOM 0 HG3BMET A 68 23.673 15.037 42.912 0.50 23.10 H new ATOM 0 HE1AMET A 68 24.481 12.358 45.739 0.50 25.60 H new ATOM 0 HE1BMET A 68 24.584 11.604 45.591 0.50 25.60 H new ATOM 0 HE2AMET A 68 23.145 12.702 44.962 0.50 25.60 H new ATOM 0 HE2BMET A 68 24.020 11.384 44.128 0.50 25.60 H new ATOM 0 HE3AMET A 68 24.098 11.554 44.430 0.50 25.60 H new ATOM 0 HE3BMET A 68 25.435 12.065 44.337 0.50 25.60 H new ATOM 451 N LEU A 69 25.597 12.811 40.662 1.00 17.30 N ATOM 452 CA LEU A 69 26.893 12.190 40.881 1.00 16.22 C ATOM 453 C LEU A 69 27.560 13.102 41.919 1.00 17.89 C ATOM 454 O LEU A 69 27.618 14.313 41.743 1.00 18.60 O ATOM 455 CB LEU A 69 27.776 12.165 39.636 1.00 17.53 C ATOM 456 CG LEU A 69 29.234 11.782 39.961 1.00 17.55 C ATOM 457 CD1 LEU A 69 29.344 10.280 40.384 1.00 19.68 C ATOM 458 CD2 LEU A 69 30.094 12.022 38.692 1.00 20.76 C ATOM 0 H ALEU A 69 25.638 13.593 40.307 0.50 17.30 H new ATOM 0 H BLEU A 69 25.636 13.612 40.352 0.50 17.30 H new ATOM 0 HA LEU A 69 26.781 11.264 41.148 1.00 16.22 H new ATOM 0 HB2 LEU A 69 27.412 11.533 38.997 1.00 17.53 H new ATOM 0 HB3 LEU A 69 27.760 13.038 39.213 1.00 17.53 H new ATOM 0 HG LEU A 69 29.547 12.326 40.701 1.00 17.55 H new ATOM 0 HD11 LEU A 69 30.269 10.066 40.582 1.00 19.68 H new ATOM 0 HD12 LEU A 69 28.801 10.125 41.172 1.00 19.68 H new ATOM 0 HD13 LEU A 69 29.030 9.716 39.660 1.00 19.68 H new ATOM 0 HD21 LEU A 69 31.017 11.786 38.877 1.00 20.76 H new ATOM 0 HD22 LEU A 69 29.760 11.473 37.966 1.00 20.76 H new ATOM 0 HD23 LEU A 69 30.044 12.957 38.439 1.00 20.76 H new ATOM 459 N GLY A 70 28.061 12.518 42.995 1.00 16.95 N ATOM 460 CA GLY A 70 28.717 13.315 44.012 1.00 18.37 C ATOM 461 C GLY A 70 29.693 12.467 44.774 1.00 18.62 C ATOM 462 O GLY A 70 30.024 11.378 44.335 1.00 18.68 O ATOM 0 H GLY A 70 28.032 11.673 43.154 1.00 16.95 H new ATOM 0 HA2 GLY A 70 29.178 14.063 43.601 1.00 18.37 H new ATOM 0 HA3 GLY A 70 28.057 13.687 44.618 1.00 18.37 H new ATOM 463 N LEU A 71 30.176 13.004 45.892 1.00 19.24 N ATOM 464 CA LEU A 71 31.091 12.275 46.751 1.00 21.20 C ATOM 465 C LEU A 71 30.440 12.094 48.108 1.00 17.82 C ATOM 466 O LEU A 71 29.692 12.962 48.578 1.00 18.70 O ATOM 467 CB LEU A 71 32.405 13.040 46.941 1.00 22.10 C ATOM 468 CG LEU A 71 33.335 13.212 45.732 1.00 24.32 C ATOM 469 CD1 LEU A 71 34.644 13.817 46.233 1.00 25.49 C ATOM 470 CD2 LEU A 71 33.605 11.862 45.042 1.00 21.61 C ATOM 0 H LEU A 71 29.982 13.795 46.168 1.00 19.24 H new ATOM 0 HA LEU A 71 31.287 11.420 46.337 1.00 21.20 H new ATOM 0 HB2 LEU A 71 32.186 13.925 47.272 1.00 22.10 H new ATOM 0 HB3 LEU A 71 32.908 12.592 47.639 1.00 22.10 H new ATOM 0 HG LEU A 71 32.916 13.793 45.077 1.00 24.32 H new ATOM 0 HD11 LEU A 71 35.252 13.937 45.487 1.00 25.49 H new ATOM 0 HD12 LEU A 71 34.466 14.677 46.646 1.00 25.49 H new ATOM 0 HD13 LEU A 71 35.047 13.223 46.885 1.00 25.49 H new ATOM 0 HD21 LEU A 71 34.194 11.998 44.283 1.00 21.61 H new ATOM 0 HD22 LEU A 71 34.025 11.255 45.671 1.00 21.61 H new ATOM 0 HD23 LEU A 71 32.767 11.481 44.736 1.00 21.61 H new ATOM 471 N ARG A 72 30.659 10.927 48.706 1.00 20.06 N ATOM 472 CA ARG A 72 30.185 10.673 50.068 1.00 20.58 C ATOM 473 C ARG A 72 31.302 9.818 50.667 1.00 21.90 C ATOM 474 O ARG A 72 31.727 8.810 50.081 1.00 20.53 O ATOM 475 CB ARG A 72 28.830 9.938 50.133 1.00 20.64 C ATOM 476 CG ARG A 72 28.257 9.989 51.560 1.00 22.76 C ATOM 477 CD ARG A 72 27.013 9.119 51.735 1.00 23.00 C ATOM 478 NE ARG A 72 25.904 9.525 50.867 1.00 22.86 N ATOM 479 CZ ARG A 72 24.995 10.457 51.153 1.00 22.61 C ATOM 480 NH1 ARG A 72 25.041 11.115 52.314 1.00 23.89 N ATOM 481 NH2 ARG A 72 24.022 10.713 50.268 1.00 21.37 N ATOM 0 H ARG A 72 31.078 10.269 48.344 1.00 20.06 H new ATOM 0 HA ARG A 72 30.016 11.501 50.544 1.00 20.58 H new ATOM 0 HB2 ARG A 72 28.205 10.345 49.513 1.00 20.64 H new ATOM 0 HB3 ARG A 72 28.943 9.015 49.857 1.00 20.64 H new ATOM 0 HG2 ARG A 72 28.938 9.700 52.187 1.00 22.76 H new ATOM 0 HG3 ARG A 72 28.037 10.907 51.782 1.00 22.76 H new ATOM 0 HD2 ARG A 72 27.242 8.195 51.548 1.00 23.00 H new ATOM 0 HD3 ARG A 72 26.724 9.158 52.660 1.00 23.00 H new ATOM 0 HE ARG A 72 25.834 9.128 50.108 1.00 22.86 H new ATOM 0 HH11 ARG A 72 25.660 10.939 52.884 1.00 23.89 H new ATOM 0 HH12 ARG A 72 24.451 11.715 52.492 1.00 23.89 H new ATOM 0 HH21 ARG A 72 23.990 10.278 49.527 1.00 21.37 H new ATOM 0 HH22 ARG A 72 23.430 11.312 50.441 1.00 21.37 H new ATOM 482 N ASP A 73 31.814 10.251 51.823 1.00 23.12 N ATOM 483 CA ASP A 73 32.940 9.560 52.465 1.00 25.54 C ATOM 484 C ASP A 73 34.106 9.461 51.503 1.00 23.73 C ATOM 485 O ASP A 73 34.816 8.441 51.448 1.00 23.77 O ATOM 486 CB ASP A 73 32.527 8.166 52.943 1.00 30.45 C ATOM 487 CG ASP A 73 31.463 8.230 54.010 1.00 36.74 C ATOM 488 OD1 ASP A 73 31.679 8.941 55.018 1.00 42.63 O ATOM 489 OD2 ASP A 73 30.404 7.583 53.845 1.00 43.22 O ATOM 0 H ASP A 73 31.526 10.939 52.251 1.00 23.12 H new ATOM 0 HA ASP A 73 33.212 10.076 53.240 1.00 25.54 H new ATOM 0 HB2 ASP A 73 32.199 7.650 52.190 1.00 30.45 H new ATOM 0 HB3 ASP A 73 33.304 7.700 53.289 1.00 30.45 H new ATOM 490 N GLY A 74 34.263 10.531 50.714 1.00 22.42 N ATOM 491 CA GLY A 74 35.327 10.653 49.742 1.00 21.44 C ATOM 492 C GLY A 74 35.192 9.878 48.432 1.00 21.25 C ATOM 493 O GLY A 74 35.965 10.102 47.495 1.00 22.38 O ATOM 0 H GLY A 74 33.739 11.212 50.738 1.00 22.42 H new ATOM 0 HA2 GLY A 74 35.423 11.593 49.523 1.00 21.44 H new ATOM 0 HA3 GLY A 74 36.153 10.375 50.168 1.00 21.44 H new ATOM 494 N ARG A 75 34.213 8.984 48.363 1.00 19.85 N ATOM 495 CA ARG A 75 34.027 8.136 47.199 1.00 18.48 C ATOM 496 C ARG A 75 32.843 8.540 46.345 1.00 16.07 C ATOM 497 O ARG A 75 31.898 9.125 46.830 1.00 18.11 O ATOM 498 CB ARG A 75 33.783 6.697 47.648 1.00 19.71 C ATOM 499 CG ARG A 75 34.946 6.103 48.436 1.00 22.22 C ATOM 500 CD ARG A 75 34.559 4.716 48.961 1.00 25.27 C ATOM 501 NE ARG A 75 35.531 4.305 49.958 1.00 29.17 N ATOM 502 CZ ARG A 75 36.643 3.638 49.689 1.00 30.60 C ATOM 503 NH1 ARG A 75 36.936 3.280 48.435 1.00 29.66 N ATOM 504 NH2 ARG A 75 37.472 3.354 50.690 1.00 30.81 N ATOM 0 H ARG A 75 33.639 8.854 48.990 1.00 19.85 H new ATOM 0 HA ARG A 75 34.835 8.227 46.670 1.00 18.48 H new ATOM 0 HB2 ARG A 75 32.982 6.667 48.194 1.00 19.71 H new ATOM 0 HB3 ARG A 75 33.615 6.146 46.868 1.00 19.71 H new ATOM 0 HG2 ARG A 75 35.731 6.037 47.870 1.00 22.22 H new ATOM 0 HG3 ARG A 75 35.178 6.686 49.176 1.00 22.22 H new ATOM 0 HD2 ARG A 75 33.670 4.740 49.348 1.00 25.27 H new ATOM 0 HD3 ARG A 75 34.534 4.076 48.232 1.00 25.27 H new ATOM 0 HE ARG A 75 35.374 4.508 50.779 1.00 29.17 H new ATOM 0 HH11 ARG A 75 36.400 3.483 47.794 1.00 29.66 H new ATOM 0 HH12 ARG A 75 37.660 2.847 48.270 1.00 29.66 H new ATOM 0 HH21 ARG A 75 37.280 3.603 51.491 1.00 30.81 H new ATOM 0 HH22 ARG A 75 38.199 2.922 50.536 1.00 30.81 H new ATOM 505 N PRO A 76 32.898 8.212 45.048 1.00 19.03 N ATOM 506 CA PRO A 76 31.799 8.539 44.138 1.00 20.00 C ATOM 507 C PRO A 76 30.508 7.894 44.618 1.00 18.36 C ATOM 508 O PRO A 76 30.518 6.760 45.133 1.00 19.26 O ATOM 509 CB PRO A 76 32.223 7.897 42.809 1.00 18.85 C ATOM 510 CG PRO A 76 33.725 7.924 42.872 1.00 21.70 C ATOM 511 CD PRO A 76 34.042 7.616 44.330 1.00 19.39 C ATOM 0 HA PRO A 76 31.640 9.494 44.074 1.00 20.00 H new ATOM 0 HB2 PRO A 76 31.885 6.992 42.725 1.00 18.85 H new ATOM 0 HB3 PRO A 76 31.888 8.396 42.048 1.00 18.85 H new ATOM 0 HG2 PRO A 76 34.117 7.266 42.277 1.00 21.70 H new ATOM 0 HG3 PRO A 76 34.076 8.789 42.608 1.00 21.70 H new ATOM 0 HD2 PRO A 76 34.109 6.662 44.490 1.00 19.39 H new ATOM 0 HD3 PRO A 76 34.884 8.010 44.606 1.00 19.39 H new ATOM 512 N GLU A 77 29.409 8.624 44.454 1.00 17.34 N ATOM 513 CA GLU A 77 28.079 8.125 44.753 1.00 17.51 C ATOM 514 C GLU A 77 27.151 8.586 43.637 1.00 18.20 C ATOM 515 O GLU A 77 27.262 9.712 43.169 1.00 17.53 O ATOM 516 CB GLU A 77 27.509 8.676 46.079 1.00 19.88 C ATOM 517 CG GLU A 77 26.031 8.248 46.334 1.00 23.41 C ATOM 518 CD GLU A 77 25.486 8.671 47.712 1.00 26.65 C ATOM 519 OE1 GLU A 77 25.866 8.040 48.730 1.00 26.46 O ATOM 520 OE2 GLU A 77 24.679 9.635 47.775 1.00 23.64 O ATOM 0 H GLU A 77 29.419 9.433 44.162 1.00 17.34 H new ATOM 0 HA GLU A 77 28.139 7.160 44.830 1.00 17.51 H new ATOM 0 HB2 GLU A 77 28.061 8.368 46.815 1.00 19.88 H new ATOM 0 HB3 GLU A 77 27.563 9.644 46.070 1.00 19.88 H new ATOM 0 HG2 GLU A 77 25.469 8.631 45.642 1.00 23.41 H new ATOM 0 HG3 GLU A 77 25.964 7.284 46.252 1.00 23.41 H new ATOM 521 N ILE A 78 26.261 7.703 43.212 1.00 15.96 N ATOM 522 CA ILE A 78 25.256 8.071 42.237 1.00 14.96 C ATOM 523 C ILE A 78 23.883 7.806 42.837 1.00 16.63 C ATOM 524 O ILE A 78 23.647 6.770 43.502 1.00 15.86 O ATOM 525 CB ILE A 78 25.368 7.265 40.929 1.00 15.79 C ATOM 526 CG1 ILE A 78 26.602 7.702 40.131 1.00 15.66 C ATOM 527 CG2 ILE A 78 24.073 7.450 40.119 1.00 14.19 C ATOM 528 CD1 ILE A 78 26.737 6.952 38.809 1.00 17.76 C ATOM 0 H ILE A 78 26.224 6.886 43.477 1.00 15.96 H new ATOM 0 HA ILE A 78 25.389 9.007 42.022 1.00 14.96 H new ATOM 0 HB ILE A 78 25.479 6.323 41.130 1.00 15.79 H new ATOM 0 HG12 ILE A 78 26.550 8.655 39.955 1.00 15.66 H new ATOM 0 HG13 ILE A 78 27.398 7.556 40.666 1.00 15.66 H new ATOM 0 HG21 ILE A 78 24.133 6.946 39.292 1.00 14.19 H new ATOM 0 HG22 ILE A 78 23.318 7.131 40.638 1.00 14.19 H new ATOM 0 HG23 ILE A 78 23.950 8.390 39.915 1.00 14.19 H new ATOM 0 HD11 ILE A 78 27.529 7.261 38.341 1.00 17.76 H new ATOM 0 HD12 ILE A 78 26.815 6.001 38.983 1.00 17.76 H new ATOM 0 HD13 ILE A 78 25.953 7.117 38.262 1.00 17.76 H new ATOM 529 N GLN A 79 22.995 8.781 42.673 1.00 15.23 N ATOM 530 CA GLN A 79 21.606 8.621 43.036 1.00 14.84 C ATOM 531 C GLN A 79 20.847 8.823 41.747 1.00 17.15 C ATOM 532 O GLN A 79 21.156 9.751 40.973 1.00 15.46 O ATOM 533 CB GLN A 79 21.143 9.624 44.084 1.00 15.03 C ATOM 534 CG GLN A 79 21.622 9.209 45.471 1.00 18.88 C ATOM 535 CD GLN A 79 21.160 10.166 46.561 1.00 18.49 C ATOM 536 OE1 GLN A 79 19.986 10.518 46.635 1.00 20.21 O ATOM 537 NE2 GLN A 79 22.091 10.580 47.417 1.00 20.05 N ATOM 0 H GLN A 79 23.188 9.553 42.347 1.00 15.23 H new ATOM 0 HA GLN A 79 21.457 7.751 43.438 1.00 14.84 H new ATOM 0 HB2 GLN A 79 21.485 10.506 43.869 1.00 15.03 H new ATOM 0 HB3 GLN A 79 20.175 9.685 44.075 1.00 15.03 H new ATOM 0 HG2 GLN A 79 21.296 8.317 45.669 1.00 18.88 H new ATOM 0 HG3 GLN A 79 22.591 9.164 45.475 1.00 18.88 H new ATOM 0 HE21 GLN A 79 22.903 10.311 47.332 1.00 20.05 H new ATOM 0 HE22 GLN A 79 21.880 11.117 48.055 1.00 20.05 H new ATOM 538 N LEU A 80 19.856 7.970 41.520 1.00 16.50 N ATOM 539 CA LEU A 80 19.069 8.023 40.279 1.00 18.09 C ATOM 540 C LEU A 80 17.627 7.755 40.591 1.00 19.14 C ATOM 541 O LEU A 80 17.321 6.900 41.424 1.00 19.36 O ATOM 542 CB LEU A 80 19.576 6.931 39.296 1.00 20.33 C ATOM 543 CG LEU A 80 18.727 6.678 38.041 1.00 25.10 C ATOM 544 CD1 LEU A 80 18.857 7.902 37.095 1.00 24.18 C ATOM 545 CD2 LEU A 80 19.193 5.384 37.313 1.00 25.25 C ATOM 0 H LEU A 80 19.618 7.351 42.067 1.00 16.50 H new ATOM 0 HA LEU A 80 19.165 8.901 39.878 1.00 18.09 H new ATOM 0 HB2 LEU A 80 20.471 7.173 39.011 1.00 20.33 H new ATOM 0 HB3 LEU A 80 19.650 6.096 39.784 1.00 20.33 H new ATOM 0 HG LEU A 80 17.800 6.558 38.299 1.00 25.10 H new ATOM 0 HD11 LEU A 80 18.324 7.753 36.298 1.00 24.18 H new ATOM 0 HD12 LEU A 80 18.541 8.698 37.550 1.00 24.18 H new ATOM 0 HD13 LEU A 80 19.787 8.020 36.845 1.00 24.18 H new ATOM 0 HD21 LEU A 80 18.646 5.241 36.525 1.00 25.25 H new ATOM 0 HD22 LEU A 80 20.122 5.477 37.049 1.00 25.25 H new ATOM 0 HD23 LEU A 80 19.102 4.626 37.911 1.00 25.25 H new ATOM 546 N HIS A 81 16.734 8.495 39.935 1.00 18.73 N ATOM 547 CA HIS A 81 15.317 8.268 40.110 1.00 20.43 C ATOM 548 C HIS A 81 14.649 8.495 38.765 1.00 20.90 C ATOM 549 O HIS A 81 14.631 9.609 38.262 1.00 21.01 O ATOM 550 CB HIS A 81 14.722 9.205 41.176 1.00 22.76 C ATOM 551 CG HIS A 81 13.259 8.988 41.400 1.00 24.41 C ATOM 552 ND1 HIS A 81 12.756 8.391 42.536 1.00 28.08 N ATOM 553 CD2 HIS A 81 12.188 9.259 40.615 1.00 27.93 C ATOM 554 CE1 HIS A 81 11.441 8.301 42.443 1.00 27.41 C ATOM 555 NE2 HIS A 81 11.071 8.819 41.287 1.00 29.28 N ATOM 0 H HIS A 81 16.934 9.128 39.389 1.00 18.73 H new ATOM 0 HA HIS A 81 15.165 7.362 40.421 1.00 20.43 H new ATOM 0 HB2 HIS A 81 15.194 9.074 42.013 1.00 22.76 H new ATOM 0 HB3 HIS A 81 14.869 10.125 40.908 1.00 22.76 H new ATOM 0 HD1 HIS A 81 13.226 8.119 43.203 1.00 28.08 H new ATOM 0 HD2 HIS A 81 12.205 9.666 39.779 1.00 27.93 H new ATOM 0 HE1 HIS A 81 10.873 7.935 43.083 1.00 27.41 H new ATOM 556 N ASN A 82 14.160 7.420 38.152 1.00 20.71 N ATOM 557 CA ASN A 82 13.463 7.540 36.868 1.00 21.72 C ATOM 558 C ASN A 82 12.429 6.434 36.772 1.00 23.79 C ATOM 559 O ASN A 82 12.171 5.735 37.753 1.00 23.27 O ATOM 560 CB ASN A 82 14.441 7.529 35.660 1.00 20.91 C ATOM 561 CG ASN A 82 15.122 6.198 35.450 1.00 19.21 C ATOM 562 OD1 ASN A 82 14.605 5.159 35.852 1.00 21.30 O ATOM 563 ND2 ASN A 82 16.269 6.215 34.761 1.00 19.76 N ATOM 0 H ASN A 82 14.219 6.618 38.457 1.00 20.71 H new ATOM 0 HA ASN A 82 13.018 8.401 36.831 1.00 21.72 H new ATOM 0 HB2 ASN A 82 13.953 7.765 34.856 1.00 20.91 H new ATOM 0 HB3 ASN A 82 15.116 8.212 35.793 1.00 20.91 H new ATOM 0 HD21 ASN A 82 16.675 5.478 34.583 1.00 19.76 H new ATOM 0 HD22 ASN A 82 16.600 6.963 34.496 1.00 19.76 H new ATOM 564 N HIS A 83 11.810 6.296 35.608 1.00 27.19 N ATOM 565 CA HIS A 83 10.771 5.288 35.415 1.00 30.95 C ATOM 566 C HIS A 83 11.230 3.838 35.613 1.00 29.22 C ATOM 567 O HIS A 83 10.450 2.989 36.044 1.00 31.17 O ATOM 568 CB HIS A 83 10.173 5.454 34.008 1.00 34.19 C ATOM 569 CG HIS A 83 9.164 4.405 33.653 1.00 39.58 C ATOM 570 ND1 HIS A 83 7.958 4.275 34.312 1.00 42.27 N ATOM 571 CD2 HIS A 83 9.193 3.423 32.722 1.00 41.21 C ATOM 572 CE1 HIS A 83 7.285 3.258 33.800 1.00 42.69 C ATOM 573 NE2 HIS A 83 8.012 2.724 32.834 1.00 43.57 N ATOM 0 H HIS A 83 11.975 6.776 34.914 1.00 27.19 H new ATOM 0 HA HIS A 83 10.111 5.444 36.109 1.00 30.95 H new ATOM 0 HB2 HIS A 83 9.756 6.327 33.944 1.00 34.19 H new ATOM 0 HB3 HIS A 83 10.891 5.434 33.356 1.00 34.19 H new ATOM 0 HD2 HIS A 83 9.881 3.252 32.120 1.00 41.21 H new ATOM 0 HE1 HIS A 83 6.444 2.968 34.073 1.00 42.69 H new ATOM 0 HE2 HIS A 83 7.784 2.049 32.353 1.00 43.57 H new ATOM 574 N TRP A 84 12.490 3.559 35.304 1.00 28.07 N ATOM 575 CA TRP A 84 13.014 2.203 35.401 1.00 27.91 C ATOM 576 C TRP A 84 13.756 1.863 36.673 1.00 27.20 C ATOM 577 O TRP A 84 13.860 0.696 37.043 1.00 24.70 O ATOM 578 CB TRP A 84 13.961 1.931 34.239 1.00 31.76 C ATOM 579 CG TRP A 84 13.304 2.107 32.924 1.00 36.99 C ATOM 580 CD1 TRP A 84 12.527 1.196 32.263 1.00 38.88 C ATOM 581 CD2 TRP A 84 13.298 3.295 32.132 1.00 39.40 C ATOM 582 NE1 TRP A 84 12.035 1.749 31.105 1.00 40.37 N ATOM 583 CE2 TRP A 84 12.490 3.038 31.001 1.00 40.80 C ATOM 584 CE3 TRP A 84 13.891 4.554 32.269 1.00 40.92 C ATOM 585 CZ2 TRP A 84 12.260 3.996 30.012 1.00 42.66 C ATOM 586 CZ3 TRP A 84 13.661 5.508 31.287 1.00 42.66 C ATOM 587 CH2 TRP A 84 12.852 5.223 30.173 1.00 43.95 C ATOM 0 H TRP A 84 13.061 4.143 35.035 1.00 28.07 H new ATOM 0 HA TRP A 84 12.220 1.647 35.388 1.00 27.91 H new ATOM 0 HB2 TRP A 84 14.723 2.528 34.300 1.00 31.76 H new ATOM 0 HB3 TRP A 84 14.303 1.026 34.309 1.00 31.76 H new ATOM 0 HD1 TRP A 84 12.357 0.329 32.554 1.00 38.88 H new ATOM 0 HE1 TRP A 84 11.525 1.351 30.538 1.00 40.37 H new ATOM 0 HE3 TRP A 84 14.428 4.748 33.003 1.00 40.92 H new ATOM 0 HZ2 TRP A 84 11.727 3.810 29.273 1.00 42.66 H new ATOM 0 HZ3 TRP A 84 14.049 6.350 31.367 1.00 42.66 H new ATOM 0 HH2 TRP A 84 12.715 5.881 29.531 1.00 43.95 H new ATOM 588 N ALA A 85 14.264 2.872 37.360 1.00 23.68 N ATOM 589 CA ALA A 85 15.069 2.543 38.528 1.00 21.43 C ATOM 590 C ALA A 85 15.146 3.661 39.531 1.00 19.77 C ATOM 591 O ALA A 85 15.002 4.840 39.186 1.00 19.98 O ATOM 592 CB ALA A 85 16.467 2.187 38.060 1.00 20.66 C ATOM 0 H ALA A 85 14.165 3.708 37.184 1.00 23.68 H new ATOM 0 HA ALA A 85 14.642 1.797 38.978 1.00 21.43 H new ATOM 0 HB1 ALA A 85 17.018 1.965 38.827 1.00 20.66 H new ATOM 0 HB2 ALA A 85 16.424 1.425 37.461 1.00 20.66 H new ATOM 0 HB3 ALA A 85 16.854 2.943 37.592 1.00 20.66 H new ATOM 593 N GLN A 86 15.370 3.275 40.786 1.00 18.90 N ATOM 594 CA GLN A 86 15.528 4.240 41.866 1.00 20.93 C ATOM 595 C GLN A 86 16.620 3.655 42.737 1.00 20.20 C ATOM 596 O GLN A 86 16.447 2.596 43.356 1.00 20.67 O ATOM 597 CB GLN A 86 14.217 4.435 42.638 1.00 21.79 C ATOM 598 CG GLN A 86 13.029 4.787 41.731 1.00 26.58 C ATOM 599 CD GLN A 86 12.411 3.527 41.103 1.00 27.58 C ATOM 600 OE1 GLN A 86 12.213 2.536 41.792 1.00 29.46 O ATOM 601 NE2 GLN A 86 12.097 3.574 39.814 1.00 26.81 N ATOM 0 H GLN A 86 15.434 2.453 41.032 1.00 18.90 H new ATOM 0 HA GLN A 86 15.760 5.124 41.542 1.00 20.93 H new ATOM 0 HB2 GLN A 86 14.013 3.623 43.128 1.00 21.79 H new ATOM 0 HB3 GLN A 86 14.336 5.140 43.294 1.00 21.79 H new ATOM 0 HG2 GLN A 86 12.355 5.258 42.246 1.00 26.58 H new ATOM 0 HG3 GLN A 86 13.322 5.389 41.030 1.00 26.58 H new ATOM 0 HE21 GLN A 86 12.250 4.288 39.360 1.00 26.81 H new ATOM 0 HE22 GLN A 86 11.740 2.890 39.433 1.00 26.81 H new ATOM 602 N LEU A 87 17.767 4.323 42.762 1.00 18.42 N ATOM 603 CA LEU A 87 18.895 3.802 43.517 1.00 18.88 C ATOM 604 C LEU A 87 19.847 4.822 44.125 1.00 19.87 C ATOM 605 O LEU A 87 19.890 6.002 43.697 1.00 18.24 O ATOM 606 CB LEU A 87 19.698 2.857 42.618 1.00 21.15 C ATOM 607 CG LEU A 87 20.242 3.382 41.301 1.00 24.37 C ATOM 608 CD1 LEU A 87 21.600 4.034 41.566 1.00 27.27 C ATOM 609 CD2 LEU A 87 20.383 2.228 40.255 1.00 22.98 C ATOM 0 H LEU A 87 17.911 5.067 42.356 1.00 18.42 H new ATOM 0 HA LEU A 87 18.492 3.358 44.279 1.00 18.88 H new ATOM 0 HB2 LEU A 87 20.450 2.528 43.135 1.00 21.15 H new ATOM 0 HB3 LEU A 87 19.135 2.093 42.419 1.00 21.15 H new ATOM 0 HG LEU A 87 19.627 4.035 40.932 1.00 24.37 H new ATOM 0 HD11 LEU A 87 21.963 4.376 40.734 1.00 27.27 H new ATOM 0 HD12 LEU A 87 21.491 4.764 42.195 1.00 27.27 H new ATOM 0 HD13 LEU A 87 22.208 3.376 41.937 1.00 27.27 H new ATOM 0 HD21 LEU A 87 20.731 2.586 39.423 1.00 22.98 H new ATOM 0 HD22 LEU A 87 20.991 1.554 40.597 1.00 22.98 H new ATOM 0 HD23 LEU A 87 19.514 1.828 40.095 1.00 22.98 H new ATOM 610 N THR A 88 20.597 4.344 45.131 1.00 16.79 N ATOM 611 CA THR A 88 21.620 5.146 45.825 1.00 17.53 C ATOM 612 C THR A 88 22.800 4.205 45.907 1.00 17.50 C ATOM 613 O THR A 88 22.757 3.201 46.627 1.00 16.65 O ATOM 614 CB THR A 88 21.169 5.545 47.248 1.00 17.31 C ATOM 615 OG1 THR A 88 19.937 6.257 47.160 1.00 18.42 O ATOM 616 CG2 THR A 88 22.247 6.451 47.928 1.00 16.28 C ATOM 0 H THR A 88 20.525 3.541 45.431 1.00 16.79 H new ATOM 0 HA THR A 88 21.808 5.978 45.363 1.00 17.53 H new ATOM 0 HB THR A 88 21.055 4.744 47.783 1.00 17.31 H new ATOM 0 HG1 THR A 88 19.684 6.476 47.930 1.00 18.42 H new ATOM 0 HG21 THR A 88 21.951 6.693 48.819 1.00 16.28 H new ATOM 0 HG22 THR A 88 23.086 5.968 47.987 1.00 16.28 H new ATOM 0 HG23 THR A 88 22.374 7.255 47.400 1.00 16.28 H new ATOM 617 N VAL A 89 23.864 4.503 45.171 1.00 16.91 N ATOM 618 CA VAL A 89 24.991 3.560 45.132 1.00 19.58 C ATOM 619 C VAL A 89 26.367 4.213 45.225 1.00 22.11 C ATOM 620 O VAL A 89 26.653 5.173 44.507 1.00 21.85 O ATOM 621 CB VAL A 89 24.937 2.727 43.787 1.00 20.52 C ATOM 622 CG1 VAL A 89 26.162 1.823 43.654 1.00 21.09 C ATOM 623 CG2 VAL A 89 23.647 1.911 43.702 1.00 19.83 C ATOM 0 H VAL A 89 23.959 5.217 44.701 1.00 16.91 H new ATOM 0 HA VAL A 89 24.887 3.000 45.917 1.00 19.58 H new ATOM 0 HB VAL A 89 24.946 3.354 43.047 1.00 20.52 H new ATOM 0 HG11 VAL A 89 26.107 1.323 42.824 1.00 21.09 H new ATOM 0 HG12 VAL A 89 26.966 2.366 43.652 1.00 21.09 H new ATOM 0 HG13 VAL A 89 26.191 1.205 44.401 1.00 21.09 H new ATOM 0 HG21 VAL A 89 23.635 1.410 42.872 1.00 19.83 H new ATOM 0 HG22 VAL A 89 23.603 1.296 44.451 1.00 19.83 H new ATOM 0 HG23 VAL A 89 22.883 2.509 43.729 1.00 19.83 H new ATOM 624 N GLY A 90 27.223 3.670 46.094 1.00 19.46 N ATOM 625 CA GLY A 90 28.578 4.170 46.252 1.00 18.27 C ATOM 626 C GLY A 90 29.559 3.211 45.568 1.00 18.87 C ATOM 627 O GLY A 90 29.325 1.994 45.540 1.00 18.15 O ATOM 0 H GLY A 90 27.030 3.005 46.604 1.00 19.46 H new ATOM 0 HA2 GLY A 90 28.653 5.056 45.865 1.00 18.27 H new ATOM 0 HA3 GLY A 90 28.795 4.253 47.194 1.00 18.27 H new ATOM 628 N ALA A 91 30.642 3.749 45.008 1.00 18.72 N ATOM 629 CA ALA A 91 31.641 2.933 44.309 1.00 18.34 C ATOM 630 C ALA A 91 32.928 3.683 43.992 1.00 24.62 C ATOM 631 O ALA A 91 32.971 4.918 44.017 1.00 24.31 O ATOM 632 CB ALA A 91 31.043 2.389 42.971 1.00 21.71 C ATOM 0 H ALA A 91 30.819 4.590 45.021 1.00 18.72 H new ATOM 0 HA ALA A 91 31.866 2.210 44.915 1.00 18.34 H new ATOM 0 HB1 ALA A 91 31.708 1.851 42.514 1.00 21.71 H new ATOM 0 HB2 ALA A 91 30.263 1.845 43.162 1.00 21.71 H new ATOM 0 HB3 ALA A 91 30.786 3.134 42.405 1.00 21.71 H new ATOM 633 N GLY A 92 33.978 2.923 43.688 1.00 24.42 N ATOM 634 CA GLY A 92 35.241 3.527 43.294 1.00 26.06 C ATOM 635 C GLY A 92 36.115 3.882 44.468 1.00 25.63 C ATOM 636 O GLY A 92 35.681 3.788 45.621 1.00 27.57 O ATOM 0 H GLY A 92 33.977 2.063 43.704 1.00 24.42 H new ATOM 0 HA2 GLY A 92 35.720 2.914 42.714 1.00 26.06 H new ATOM 0 HA3 GLY A 92 35.063 4.327 42.776 1.00 26.06 H new ATOM 637 N PRO A 93 37.355 4.325 44.209 1.00 26.07 N ATOM 638 CA PRO A 93 38.296 4.701 45.268 1.00 26.07 C ATOM 639 C PRO A 93 37.956 6.088 45.772 1.00 26.06 C ATOM 640 O PRO A 93 37.147 6.808 45.157 1.00 24.31 O ATOM 641 CB PRO A 93 39.632 4.719 44.530 1.00 26.71 C ATOM 642 CG PRO A 93 39.222 5.374 43.227 1.00 26.74 C ATOM 643 CD PRO A 93 37.948 4.583 42.877 1.00 25.62 C ATOM 0 HA PRO A 93 38.288 4.110 46.037 1.00 26.07 H new ATOM 0 HB2 PRO A 93 40.307 5.230 45.003 1.00 26.71 H new ATOM 0 HB3 PRO A 93 39.992 3.828 44.397 1.00 26.71 H new ATOM 0 HG2 PRO A 93 39.046 6.322 43.334 1.00 26.74 H new ATOM 0 HG3 PRO A 93 39.905 5.288 42.544 1.00 26.74 H new ATOM 0 HD2 PRO A 93 37.351 5.094 42.309 1.00 25.62 H new ATOM 0 HD3 PRO A 93 38.152 3.759 42.407 1.00 25.62 H new ATOM 644 N ARG A 94 38.566 6.475 46.892 1.00 24.93 N ATOM 645 CA ARG A 94 38.348 7.823 47.396 1.00 26.47 C ATOM 646 C ARG A 94 38.986 8.763 46.368 1.00 26.25 C ATOM 647 O ARG A 94 40.036 8.452 45.803 1.00 29.15 O ATOM 648 CB ARG A 94 39.031 8.028 48.758 1.00 25.81 C ATOM 649 CG ARG A 94 38.412 7.219 49.895 1.00 28.75 C ATOM 650 CD ARG A 94 39.032 7.655 51.242 1.00 26.98 C ATOM 651 NE ARG A 94 38.524 8.946 51.702 1.00 24.03 N ATOM 652 CZ ARG A 94 37.691 9.090 52.721 1.00 26.00 C ATOM 653 NH1 ARG A 94 37.278 8.023 53.395 1.00 27.93 N ATOM 654 NH2 ARG A 94 37.248 10.295 53.065 1.00 28.92 N ATOM 0 H ARG A 94 39.095 5.986 47.361 1.00 24.93 H new ATOM 0 HA ARG A 94 37.401 7.991 47.519 1.00 26.47 H new ATOM 0 HB2 ARG A 94 39.968 7.790 48.678 1.00 25.81 H new ATOM 0 HB3 ARG A 94 38.996 8.970 48.988 1.00 25.81 H new ATOM 0 HG2 ARG A 94 37.451 7.352 49.913 1.00 28.75 H new ATOM 0 HG3 ARG A 94 38.564 6.272 49.750 1.00 28.75 H new ATOM 0 HD2 ARG A 94 38.846 6.980 51.913 1.00 26.98 H new ATOM 0 HD3 ARG A 94 39.996 7.705 51.149 1.00 26.98 H new ATOM 0 HE ARG A 94 38.781 9.654 51.286 1.00 24.03 H new ATOM 0 HH11 ARG A 94 37.552 7.239 53.169 1.00 27.93 H new ATOM 0 HH12 ARG A 94 36.737 8.115 54.057 1.00 27.93 H new ATOM 0 HH21 ARG A 94 37.502 10.989 52.625 1.00 28.92 H new ATOM 0 HH22 ARG A 94 36.707 10.381 53.728 1.00 28.92 H new ATOM 655 N LEU A 95 38.345 9.898 46.126 1.00 26.77 N ATOM 656 CA LEU A 95 38.853 10.890 45.185 1.00 27.96 C ATOM 657 C LEU A 95 39.266 12.160 45.916 1.00 29.58 C ATOM 658 O LEU A 95 39.693 13.125 45.285 1.00 29.32 O ATOM 659 CB LEU A 95 37.771 11.260 44.173 1.00 27.20 C ATOM 660 CG LEU A 95 37.296 10.069 43.365 1.00 28.79 C ATOM 661 CD1 LEU A 95 36.353 10.560 42.271 1.00 30.57 C ATOM 662 CD2 LEU A 95 38.504 9.351 42.789 1.00 29.73 C ATOM 0 H LEU A 95 37.603 10.116 46.502 1.00 26.77 H new ATOM 0 HA LEU A 95 39.620 10.503 44.734 1.00 27.96 H new ATOM 0 HB2 LEU A 95 37.016 11.651 44.640 1.00 27.20 H new ATOM 0 HB3 LEU A 95 38.115 11.939 43.571 1.00 27.20 H new ATOM 0 HG LEU A 95 36.811 9.441 43.922 1.00 28.79 H new ATOM 0 HD11 LEU A 95 36.043 9.804 41.748 1.00 30.57 H new ATOM 0 HD12 LEU A 95 35.593 11.006 42.675 1.00 30.57 H new ATOM 0 HD13 LEU A 95 36.823 11.182 41.694 1.00 30.57 H new ATOM 0 HD21 LEU A 95 38.209 8.587 42.270 1.00 29.73 H new ATOM 0 HD22 LEU A 95 38.999 9.958 42.217 1.00 29.73 H new ATOM 0 HD23 LEU A 95 39.076 9.049 43.512 1.00 29.73 H new ATOM 663 N ASP A 96 39.123 12.168 47.237 1.00 29.08 N ATOM 664 CA ASP A 96 39.458 13.353 48.003 1.00 29.49 C ATOM 665 C ASP A 96 40.883 13.362 48.548 1.00 30.75 C ATOM 666 O ASP A 96 41.112 13.660 49.715 1.00 30.65 O ATOM 667 CB ASP A 96 38.428 13.561 49.128 1.00 29.69 C ATOM 668 CG ASP A 96 38.424 12.429 50.179 1.00 28.03 C ATOM 669 OD1 ASP A 96 38.964 11.329 49.937 1.00 27.66 O ATOM 670 OD2 ASP A 96 37.836 12.651 51.253 1.00 29.02 O ATOM 0 H ASP A 96 38.836 11.503 47.702 1.00 29.08 H new ATOM 0 HA ASP A 96 39.421 14.100 47.385 1.00 29.49 H new ATOM 0 HB2 ASP A 96 38.611 14.404 49.572 1.00 29.69 H new ATOM 0 HB3 ASP A 96 37.543 13.632 48.737 1.00 29.69 H new ATOM 671 N ASP A 97 41.830 13.049 47.677 1.00 31.16 N ATOM 672 CA ASP A 97 43.230 13.011 48.054 1.00 33.30 C ATOM 673 C ASP A 97 43.978 14.220 47.523 1.00 34.63 C ATOM 674 O ASP A 97 45.202 14.232 47.501 1.00 36.46 O ATOM 675 CB ASP A 97 43.889 11.732 47.533 1.00 33.26 C ATOM 676 CG ASP A 97 43.653 11.512 46.056 1.00 35.41 C ATOM 677 OD1 ASP A 97 43.033 12.382 45.394 1.00 34.15 O ATOM 678 OD2 ASP A 97 44.095 10.458 45.557 1.00 36.07 O ATOM 0 H ASP A 97 41.679 12.853 46.853 1.00 31.16 H new ATOM 0 HA ASP A 97 43.273 13.024 49.023 1.00 33.30 H new ATOM 0 HB2 ASP A 97 44.843 11.773 47.701 1.00 33.26 H new ATOM 0 HB3 ASP A 97 43.546 10.972 48.028 1.00 33.26 H new ATOM 679 N GLY A 98 43.240 15.227 47.079 1.00 34.46 N ATOM 680 CA GLY A 98 43.886 16.421 46.568 1.00 35.79 C ATOM 681 C GLY A 98 44.574 16.273 45.227 1.00 36.21 C ATOM 682 O GLY A 98 45.278 17.185 44.793 1.00 37.38 O ATOM 0 H GLY A 98 42.380 15.239 47.065 1.00 34.46 H new ATOM 0 HA2 GLY A 98 43.221 17.123 46.496 1.00 35.79 H new ATOM 0 HA3 GLY A 98 44.542 16.718 47.218 1.00 35.79 H new ATOM 683 N ARG A 99 44.384 15.139 44.561 1.00 35.97 N ATOM 684 CA ARG A 99 44.986 14.904 43.252 1.00 36.43 C ATOM 685 C ARG A 99 43.923 14.989 42.155 1.00 35.02 C ATOM 686 O ARG A 99 42.737 14.765 42.413 1.00 33.16 O ATOM 687 CB ARG A 99 45.639 13.518 43.208 1.00 39.24 C ATOM 688 CG ARG A 99 46.737 13.326 44.253 1.00 45.24 C ATOM 689 CD ARG A 99 47.167 11.871 44.353 1.00 49.60 C ATOM 690 NE ARG A 99 47.661 11.350 43.082 1.00 53.18 N ATOM 691 CZ ARG A 99 48.188 10.139 42.927 1.00 55.76 C ATOM 692 NH1 ARG A 99 48.287 9.318 43.969 1.00 56.88 N ATOM 693 NH2 ARG A 99 48.631 9.754 41.734 1.00 55.99 N ATOM 0 H ARG A 99 43.905 14.487 44.853 1.00 35.97 H new ATOM 0 HA ARG A 99 45.660 15.585 43.103 1.00 36.43 H new ATOM 0 HB2 ARG A 99 44.956 12.842 43.340 1.00 39.24 H new ATOM 0 HB3 ARG A 99 46.014 13.373 42.325 1.00 39.24 H new ATOM 0 HG2 ARG A 99 47.503 13.875 44.023 1.00 45.24 H new ATOM 0 HG3 ARG A 99 46.419 13.630 45.117 1.00 45.24 H new ATOM 0 HD2 ARG A 99 47.860 11.786 45.026 1.00 49.60 H new ATOM 0 HD3 ARG A 99 46.416 11.334 44.650 1.00 49.60 H new ATOM 0 HE ARG A 99 47.608 11.858 42.390 1.00 53.18 H new ATOM 0 HH11 ARG A 99 48.010 9.570 44.743 1.00 56.88 H new ATOM 0 HH12 ARG A 99 48.628 8.535 43.869 1.00 56.88 H new ATOM 0 HH21 ARG A 99 48.577 10.288 41.062 1.00 55.99 H new ATOM 0 HH22 ARG A 99 48.972 8.971 41.634 1.00 55.99 H new ATOM 694 N TRP A 100 44.354 15.331 40.943 1.00 34.22 N ATOM 695 CA TRP A 100 43.452 15.421 39.801 1.00 32.93 C ATOM 696 C TRP A 100 43.000 14.016 39.411 1.00 32.75 C ATOM 697 O TRP A 100 43.820 13.089 39.312 1.00 32.38 O ATOM 698 CB TRP A 100 44.149 16.084 38.596 1.00 33.27 C ATOM 699 CG TRP A 100 44.217 17.602 38.680 1.00 34.71 C ATOM 700 CD1 TRP A 100 45.339 18.373 38.877 1.00 34.88 C ATOM 701 CD2 TRP A 100 43.111 18.515 38.631 1.00 34.13 C ATOM 702 NE1 TRP A 100 44.992 19.699 38.957 1.00 32.84 N ATOM 703 CE2 TRP A 100 43.633 19.816 38.811 1.00 34.25 C ATOM 704 CE3 TRP A 100 41.729 18.359 38.454 1.00 32.62 C ATOM 705 CZ2 TRP A 100 42.820 20.952 38.823 1.00 33.01 C ATOM 706 CZ3 TRP A 100 40.921 19.490 38.465 1.00 32.76 C ATOM 707 CH2 TRP A 100 41.470 20.769 38.650 1.00 35.06 C ATOM 0 H TRP A 100 45.174 15.516 40.761 1.00 34.22 H new ATOM 0 HA TRP A 100 42.689 15.965 40.051 1.00 32.93 H new ATOM 0 HB2 TRP A 100 45.050 15.733 38.521 1.00 33.27 H new ATOM 0 HB3 TRP A 100 43.679 15.835 37.785 1.00 33.27 H new ATOM 0 HD1 TRP A 100 46.206 18.044 38.946 1.00 34.88 H new ATOM 0 HE1 TRP A 100 45.539 20.351 39.079 1.00 32.84 H new ATOM 0 HE3 TRP A 100 41.360 17.514 38.331 1.00 32.62 H new ATOM 0 HZ2 TRP A 100 43.180 21.801 38.944 1.00 33.01 H new ATOM 0 HZ3 TRP A 100 40.003 19.398 38.348 1.00 32.76 H new ATOM 0 HH2 TRP A 100 40.907 21.509 38.656 1.00 35.06 H new ATOM 708 N HIS A 101 41.695 13.851 39.204 1.00 29.72 N ATOM 709 CA HIS A 101 41.150 12.557 38.806 1.00 29.01 C ATOM 710 C HIS A 101 40.271 12.696 37.579 1.00 26.81 C ATOM 711 O HIS A 101 39.390 13.549 37.561 1.00 27.68 O ATOM 712 CB HIS A 101 40.299 11.957 39.934 1.00 28.68 C ATOM 713 CG HIS A 101 41.091 11.567 41.141 1.00 28.65 C ATOM 714 ND1 HIS A 101 41.899 10.451 41.167 1.00 27.48 N ATOM 715 CD2 HIS A 101 41.223 12.159 42.351 1.00 27.48 C ATOM 716 CE1 HIS A 101 42.494 10.369 42.345 1.00 26.59 C ATOM 717 NE2 HIS A 101 42.100 11.392 43.082 1.00 29.33 N ATOM 0 H HIS A 101 41.110 14.475 39.289 1.00 29.72 H new ATOM 0 HA HIS A 101 41.902 11.976 38.610 1.00 29.01 H new ATOM 0 HB2 HIS A 101 39.622 12.601 40.195 1.00 28.68 H new ATOM 0 HB3 HIS A 101 39.833 11.176 39.597 1.00 28.68 H new ATOM 0 HD1 HIS A 101 42.000 9.895 40.519 1.00 27.48 H new ATOM 0 HD2 HIS A 101 40.800 12.937 42.635 1.00 27.48 H new ATOM 0 HE1 HIS A 101 43.088 9.704 42.610 1.00 26.59 H new ATOM 0 HE2 HIS A 101 42.351 11.553 43.889 1.00 29.33 H new ATOM 718 N GLN A 102 40.500 11.863 36.570 1.00 26.27 N ATOM 719 CA GLN A 102 39.670 11.895 35.367 1.00 27.25 C ATOM 720 C GLN A 102 38.387 11.106 35.646 1.00 25.77 C ATOM 721 O GLN A 102 38.433 10.013 36.198 1.00 25.47 O ATOM 722 CB GLN A 102 40.379 11.257 34.174 1.00 31.45 C ATOM 723 CG GLN A 102 39.540 11.317 32.898 1.00 39.14 C ATOM 724 CD GLN A 102 40.225 10.702 31.677 1.00 43.78 C ATOM 725 OE1 GLN A 102 40.283 9.477 31.522 1.00 46.50 O ATOM 726 NE2 GLN A 102 40.747 11.561 30.798 1.00 46.88 N ATOM 0 H GLN A 102 41.127 11.274 36.560 1.00 26.27 H new ATOM 0 HA GLN A 102 39.481 12.821 35.150 1.00 27.25 H new ATOM 0 HB2 GLN A 102 41.224 11.709 34.024 1.00 31.45 H new ATOM 0 HB3 GLN A 102 40.584 10.332 34.380 1.00 31.45 H new ATOM 0 HG2 GLN A 102 38.700 10.858 33.052 1.00 39.14 H new ATOM 0 HG3 GLN A 102 39.326 12.243 32.705 1.00 39.14 H new ATOM 0 HE21 GLN A 102 40.689 12.408 30.937 1.00 46.88 H new ATOM 0 HE22 GLN A 102 41.142 11.268 30.092 1.00 46.88 H new ATOM 727 N VAL A 103 37.243 11.663 35.283 1.00 23.16 N ATOM 728 CA VAL A 103 35.977 10.971 35.512 1.00 22.62 C ATOM 729 C VAL A 103 35.160 10.967 34.231 1.00 23.01 C ATOM 730 O VAL A 103 35.077 11.991 33.528 1.00 24.34 O ATOM 731 CB VAL A 103 35.133 11.677 36.621 1.00 21.25 C ATOM 732 CG1 VAL A 103 33.782 10.940 36.817 1.00 24.88 C ATOM 733 CG2 VAL A 103 35.920 11.757 37.939 1.00 23.64 C ATOM 0 H VAL A 103 37.173 12.433 34.906 1.00 23.16 H new ATOM 0 HA VAL A 103 36.184 10.067 35.796 1.00 22.62 H new ATOM 0 HB VAL A 103 34.945 12.585 36.337 1.00 21.25 H new ATOM 0 HG11 VAL A 103 33.267 11.386 37.507 1.00 24.88 H new ATOM 0 HG12 VAL A 103 33.284 10.950 35.985 1.00 24.88 H new ATOM 0 HG13 VAL A 103 33.949 10.022 37.082 1.00 24.88 H new ATOM 0 HG21 VAL A 103 35.379 12.198 38.613 1.00 23.64 H new ATOM 0 HG22 VAL A 103 36.142 10.861 38.238 1.00 23.64 H new ATOM 0 HG23 VAL A 103 36.736 12.262 37.799 1.00 23.64 H new ATOM 734 N GLU A 104 34.565 9.824 33.911 1.00 21.68 N ATOM 735 CA GLU A 104 33.723 9.717 32.739 1.00 20.92 C ATOM 736 C GLU A 104 32.405 9.081 33.141 1.00 22.07 C ATOM 737 O GLU A 104 32.392 8.113 33.913 1.00 19.43 O ATOM 738 CB GLU A 104 34.396 8.850 31.680 1.00 26.07 C ATOM 739 CG GLU A 104 35.674 9.439 31.113 1.00 33.33 C ATOM 740 CD GLU A 104 36.259 8.590 29.989 1.00 39.46 C ATOM 741 OE1 GLU A 104 35.475 7.935 29.263 1.00 41.41 O ATOM 742 OE2 GLU A 104 37.501 8.589 29.823 1.00 43.95 O ATOM 0 H GLU A 104 34.640 9.098 34.365 1.00 21.68 H new ATOM 0 HA GLU A 104 33.573 10.602 32.371 1.00 20.92 H new ATOM 0 HB2 GLU A 104 34.595 7.983 32.066 1.00 26.07 H new ATOM 0 HB3 GLU A 104 33.771 8.701 30.954 1.00 26.07 H new ATOM 0 HG2 GLU A 104 35.495 10.332 30.780 1.00 33.33 H new ATOM 0 HG3 GLU A 104 36.329 9.527 31.823 1.00 33.33 H new ATOM 743 N VAL A 105 31.298 9.637 32.656 1.00 21.45 N ATOM 744 CA VAL A 105 29.979 9.087 32.953 1.00 21.03 C ATOM 745 C VAL A 105 29.287 8.937 31.615 1.00 24.95 C ATOM 746 O VAL A 105 29.166 9.905 30.838 1.00 25.36 O ATOM 747 CB VAL A 105 29.115 10.016 33.798 1.00 22.19 C ATOM 748 CG1 VAL A 105 27.814 9.326 34.101 1.00 24.15 C ATOM 749 CG2 VAL A 105 29.834 10.411 35.089 1.00 22.36 C ATOM 0 H VAL A 105 31.289 10.334 32.152 1.00 21.45 H new ATOM 0 HA VAL A 105 30.091 8.261 33.449 1.00 21.03 H new ATOM 0 HB VAL A 105 28.942 10.832 33.303 1.00 22.19 H new ATOM 0 HG11 VAL A 105 27.256 9.909 34.639 1.00 24.15 H new ATOM 0 HG12 VAL A 105 27.357 9.117 33.271 1.00 24.15 H new ATOM 0 HG13 VAL A 105 27.988 8.506 34.589 1.00 24.15 H new ATOM 0 HG21 VAL A 105 29.266 11.001 35.609 1.00 22.36 H new ATOM 0 HG22 VAL A 105 30.032 9.615 35.606 1.00 22.36 H new ATOM 0 HG23 VAL A 105 30.661 10.868 34.872 1.00 22.36 H new ATOM 750 N LYS A 106 28.829 7.732 31.324 1.00 25.76 N ATOM 751 CA LYS A 106 28.189 7.554 30.037 1.00 28.04 C ATOM 752 C LYS A 106 27.094 6.521 30.007 1.00 28.41 C ATOM 753 O LYS A 106 26.999 5.667 30.889 1.00 24.37 O ATOM 754 CB LYS A 106 29.246 7.187 29.018 1.00 29.54 C ATOM 755 CG LYS A 106 29.913 5.870 29.310 1.00 33.60 C ATOM 756 CD LYS A 106 31.104 5.599 28.379 1.00 39.37 C ATOM 757 CE LYS A 106 32.317 6.416 28.792 1.00 41.99 C ATOM 758 NZ LYS A 106 33.524 6.153 27.938 1.00 45.30 N ATOM 0 H LYS A 106 28.874 7.037 31.828 1.00 25.76 H new ATOM 0 HA LYS A 106 27.756 8.398 29.832 1.00 28.04 H new ATOM 0 HB2 LYS A 106 28.840 7.150 28.138 1.00 29.54 H new ATOM 0 HB3 LYS A 106 29.919 7.885 28.991 1.00 29.54 H new ATOM 0 HG2 LYS A 106 30.217 5.861 30.231 1.00 33.60 H new ATOM 0 HG3 LYS A 106 29.265 5.154 29.219 1.00 33.60 H new ATOM 0 HD2 LYS A 106 31.325 4.655 28.398 1.00 39.37 H new ATOM 0 HD3 LYS A 106 30.860 5.815 27.465 1.00 39.37 H new ATOM 0 HE2 LYS A 106 32.095 7.359 28.747 1.00 41.99 H new ATOM 0 HE3 LYS A 106 32.533 6.219 29.717 1.00 41.99 H new ATOM 0 HZ1 LYS A 106 34.207 6.643 28.230 1.00 45.30 H new ATOM 0 HZ2 LYS A 106 33.738 5.290 27.983 1.00 45.30 H new ATOM 0 HZ3 LYS A 106 33.343 6.369 27.094 1.00 45.30 H new ATOM 759 N MET A 107 26.263 6.619 28.975 1.00 27.17 N ATOM 760 CA MET A 107 25.192 5.658 28.757 1.00 30.14 C ATOM 761 C MET A 107 25.726 4.647 27.757 1.00 30.91 C ATOM 762 O MET A 107 26.251 5.014 26.705 1.00 34.31 O ATOM 763 CB MET A 107 23.941 6.341 28.189 1.00 33.21 C ATOM 764 CG MET A 107 23.154 7.182 29.195 1.00 35.85 C ATOM 765 SD MET A 107 22.650 6.261 30.671 1.00 39.87 S ATOM 766 CE MET A 107 21.711 4.846 29.960 1.00 39.39 C ATOM 0 H MET A 107 26.305 7.242 28.384 1.00 27.17 H new ATOM 0 HA MET A 107 24.933 5.240 29.593 1.00 30.14 H new ATOM 0 HB2 MET A 107 24.207 6.910 27.449 1.00 33.21 H new ATOM 0 HB3 MET A 107 23.353 5.660 27.826 1.00 33.21 H new ATOM 0 HG2 MET A 107 23.695 7.940 29.465 1.00 35.85 H new ATOM 0 HG3 MET A 107 22.364 7.538 28.760 1.00 35.85 H new ATOM 0 HE1 MET A 107 21.430 4.253 30.674 1.00 39.39 H new ATOM 0 HE2 MET A 107 20.930 5.179 29.490 1.00 39.39 H new ATOM 0 HE3 MET A 107 22.278 4.360 29.340 1.00 39.39 H new ATOM 767 N GLU A 108 25.597 3.373 28.088 1.00 30.16 N ATOM 768 CA GLU A 108 26.064 2.273 27.239 1.00 29.90 C ATOM 769 C GLU A 108 24.869 1.316 27.205 1.00 29.34 C ATOM 770 O GLU A 108 24.655 0.518 28.132 1.00 26.28 O ATOM 771 CB GLU A 108 27.285 1.620 27.909 1.00 33.97 C ATOM 772 CG GLU A 108 27.900 0.419 27.202 1.00 40.47 C ATOM 773 CD GLU A 108 28.742 0.817 26.014 1.00 43.34 C ATOM 774 OE1 GLU A 108 29.495 1.816 26.139 1.00 46.09 O ATOM 775 OE2 GLU A 108 28.657 0.130 24.971 1.00 44.56 O ATOM 0 H GLU A 108 25.231 3.112 28.821 1.00 30.16 H new ATOM 0 HA GLU A 108 26.338 2.541 26.348 1.00 29.90 H new ATOM 0 HB2 GLU A 108 27.973 2.297 28.008 1.00 33.97 H new ATOM 0 HB3 GLU A 108 27.027 1.345 28.803 1.00 33.97 H new ATOM 0 HG2 GLU A 108 28.447 -0.078 27.831 1.00 40.47 H new ATOM 0 HG3 GLU A 108 27.193 -0.177 26.909 1.00 40.47 H new ATOM 776 N GLY A 109 24.064 1.417 26.152 1.00 27.05 N ATOM 777 CA GLY A 109 22.892 0.576 26.064 1.00 25.51 C ATOM 778 C GLY A 109 21.931 0.967 27.174 1.00 26.49 C ATOM 779 O GLY A 109 21.611 2.142 27.322 1.00 28.23 O ATOM 0 H GLY A 109 24.180 1.957 25.493 1.00 27.05 H new ATOM 0 HA2 GLY A 109 22.467 0.680 25.198 1.00 25.51 H new ATOM 0 HA3 GLY A 109 23.141 -0.358 26.147 1.00 25.51 H new ATOM 780 N ASP A 110 21.480 0.004 27.968 1.00 25.33 N ATOM 781 CA ASP A 110 20.545 0.333 29.043 1.00 24.80 C ATOM 782 C ASP A 110 21.275 0.642 30.347 1.00 22.84 C ATOM 783 O ASP A 110 20.647 0.788 31.394 1.00 23.79 O ATOM 784 CB ASP A 110 19.527 -0.795 29.252 1.00 28.49 C ATOM 785 CG ASP A 110 20.125 -2.066 29.880 1.00 31.47 C ATOM 786 OD1 ASP A 110 19.422 -3.103 29.804 1.00 33.66 O ATOM 787 OD2 ASP A 110 21.247 -2.062 30.460 1.00 32.18 O ATOM 0 H ASP A 110 21.694 -0.827 27.907 1.00 25.33 H new ATOM 0 HA ASP A 110 20.066 1.132 28.773 1.00 24.80 H new ATOM 0 HB2 ASP A 110 18.810 -0.471 29.820 1.00 28.49 H new ATOM 0 HB3 ASP A 110 19.130 -1.023 28.397 1.00 28.49 H new ATOM 788 N SER A 111 22.579 0.816 30.261 1.00 19.92 N ATOM 789 CA SER A 111 23.377 1.071 31.466 1.00 20.04 C ATOM 790 C SER A 111 24.023 2.437 31.595 1.00 20.21 C ATOM 791 O SER A 111 24.227 3.137 30.616 1.00 19.40 O ATOM 792 CB SER A 111 24.505 0.060 31.555 1.00 20.38 C ATOM 793 OG SER A 111 24.024 -1.268 31.481 1.00 25.71 O ATOM 0 H SER A 111 23.027 0.793 29.527 1.00 19.92 H new ATOM 0 HA SER A 111 22.720 1.007 32.177 1.00 20.04 H new ATOM 0 HB2 SER A 111 25.137 0.216 30.836 1.00 20.38 H new ATOM 0 HB3 SER A 111 24.986 0.184 32.388 1.00 20.38 H new ATOM 0 HG SER A 111 23.874 -1.468 30.679 1.00 25.71 H new ATOM 794 N VAL A 112 24.352 2.788 32.835 1.00 19.14 N ATOM 795 CA VAL A 112 25.104 3.999 33.120 1.00 19.04 C ATOM 796 C VAL A 112 26.449 3.489 33.600 1.00 20.08 C ATOM 797 O VAL A 112 26.534 2.646 34.500 1.00 19.86 O ATOM 798 CB VAL A 112 24.476 4.856 34.198 1.00 19.84 C ATOM 799 CG1 VAL A 112 25.498 5.941 34.652 1.00 23.44 C ATOM 800 CG2 VAL A 112 23.237 5.514 33.653 1.00 22.94 C ATOM 0 H VAL A 112 24.144 2.329 33.532 1.00 19.14 H new ATOM 0 HA VAL A 112 25.147 4.567 32.335 1.00 19.04 H new ATOM 0 HB VAL A 112 24.235 4.305 34.959 1.00 19.84 H new ATOM 0 HG11 VAL A 112 25.099 6.493 35.343 1.00 23.44 H new ATOM 0 HG12 VAL A 112 26.294 5.510 35.002 1.00 23.44 H new ATOM 0 HG13 VAL A 112 25.738 6.497 33.894 1.00 23.44 H new ATOM 0 HG21 VAL A 112 22.833 6.064 34.342 1.00 22.94 H new ATOM 0 HG22 VAL A 112 23.473 6.070 32.894 1.00 22.94 H new ATOM 0 HG23 VAL A 112 22.606 4.833 33.372 1.00 22.94 H new ATOM 801 N LEU A 113 27.502 3.961 32.952 1.00 18.36 N ATOM 802 CA LEU A 113 28.855 3.549 33.262 1.00 18.67 C ATOM 803 C LEU A 113 29.660 4.691 33.894 1.00 21.74 C ATOM 804 O LEU A 113 29.658 5.811 33.397 1.00 20.52 O ATOM 805 CB LEU A 113 29.514 3.081 31.956 1.00 22.71 C ATOM 806 CG LEU A 113 30.973 2.694 31.949 1.00 25.49 C ATOM 807 CD1 LEU A 113 31.182 1.559 32.964 1.00 29.50 C ATOM 808 CD2 LEU A 113 31.372 2.251 30.529 1.00 27.34 C ATOM 0 H LEU A 113 27.449 4.535 32.314 1.00 18.36 H new ATOM 0 HA LEU A 113 28.836 2.828 33.911 1.00 18.67 H new ATOM 0 HB2 LEU A 113 29.010 2.317 31.635 1.00 22.71 H new ATOM 0 HB3 LEU A 113 29.399 3.790 31.304 1.00 22.71 H new ATOM 0 HG LEU A 113 31.532 3.446 32.200 1.00 25.49 H new ATOM 0 HD11 LEU A 113 32.116 1.299 32.971 1.00 29.50 H new ATOM 0 HD12 LEU A 113 30.925 1.864 33.848 1.00 29.50 H new ATOM 0 HD13 LEU A 113 30.637 0.797 32.714 1.00 29.50 H new ATOM 0 HD21 LEU A 113 32.309 2.001 30.519 1.00 27.34 H new ATOM 0 HD22 LEU A 113 30.832 1.490 30.264 1.00 27.34 H new ATOM 0 HD23 LEU A 113 31.226 2.982 29.909 1.00 27.34 H new ATOM 809 N LEU A 114 30.344 4.406 35.001 1.00 19.41 N ATOM 810 CA LEU A 114 31.185 5.393 35.652 1.00 19.53 C ATOM 811 C LEU A 114 32.635 4.916 35.590 1.00 19.24 C ATOM 812 O LEU A 114 32.960 3.824 36.067 1.00 18.30 O ATOM 813 CB LEU A 114 30.763 5.584 37.116 1.00 18.14 C ATOM 814 CG LEU A 114 31.667 6.511 37.917 1.00 18.63 C ATOM 815 CD1 LEU A 114 31.506 7.972 37.373 1.00 17.59 C ATOM 816 CD2 LEU A 114 31.291 6.424 39.417 1.00 19.75 C ATOM 0 H LEU A 114 30.331 3.639 35.390 1.00 19.41 H new ATOM 0 HA LEU A 114 31.092 6.244 35.197 1.00 19.53 H new ATOM 0 HB2 LEU A 114 29.859 5.935 37.137 1.00 18.14 H new ATOM 0 HB3 LEU A 114 30.741 4.717 37.550 1.00 18.14 H new ATOM 0 HG LEU A 114 32.596 6.247 37.823 1.00 18.63 H new ATOM 0 HD11 LEU A 114 32.079 8.570 37.878 1.00 17.59 H new ATOM 0 HD12 LEU A 114 31.757 7.998 36.436 1.00 17.59 H new ATOM 0 HD13 LEU A 114 30.582 8.253 37.468 1.00 17.59 H new ATOM 0 HD21 LEU A 114 31.866 7.014 39.930 1.00 19.75 H new ATOM 0 HD22 LEU A 114 30.366 6.692 39.535 1.00 19.75 H new ATOM 0 HD23 LEU A 114 31.405 5.512 39.727 1.00 19.75 H new ATOM 817 N GLU A 115 33.510 5.715 34.973 1.00 19.82 N ATOM 818 CA GLU A 115 34.927 5.371 34.878 1.00 22.22 C ATOM 819 C GLU A 115 35.736 6.401 35.646 1.00 23.27 C ATOM 820 O GLU A 115 35.477 7.615 35.555 1.00 24.98 O ATOM 821 CB GLU A 115 35.392 5.343 33.408 1.00 26.96 C ATOM 822 CG GLU A 115 34.842 4.159 32.623 1.00 35.20 C ATOM 823 CD GLU A 115 35.201 4.196 31.134 1.00 39.44 C ATOM 824 OE1 GLU A 115 35.046 3.156 30.456 1.00 43.45 O ATOM 825 OE2 GLU A 115 35.625 5.265 30.640 1.00 44.11 O ATOM 0 H GLU A 115 33.300 6.462 34.603 1.00 19.82 H new ATOM 0 HA GLU A 115 35.061 4.487 35.255 1.00 22.22 H new ATOM 0 HB2 GLU A 115 35.119 6.166 32.973 1.00 26.96 H new ATOM 0 HB3 GLU A 115 36.361 5.317 33.383 1.00 26.96 H new ATOM 0 HG2 GLU A 115 35.182 3.337 33.010 1.00 35.20 H new ATOM 0 HG3 GLU A 115 33.877 4.139 32.716 1.00 35.20 H new ATOM 826 N VAL A 116 36.706 5.932 36.421 1.00 22.55 N ATOM 827 CA VAL A 116 37.549 6.823 37.188 1.00 23.02 C ATOM 828 C VAL A 116 39.009 6.532 36.863 1.00 25.49 C ATOM 829 O VAL A 116 39.449 5.385 36.938 1.00 24.77 O ATOM 830 CB VAL A 116 37.306 6.662 38.698 1.00 22.74 C ATOM 831 CG1 VAL A 116 38.388 7.433 39.483 1.00 25.43 C ATOM 832 CG2 VAL A 116 35.933 7.207 39.054 1.00 22.56 C ATOM 0 H VAL A 116 36.889 5.097 36.514 1.00 22.55 H new ATOM 0 HA VAL A 116 37.331 7.737 36.949 1.00 23.02 H new ATOM 0 HB VAL A 116 37.349 5.721 38.931 1.00 22.74 H new ATOM 0 HG11 VAL A 116 38.233 7.330 40.435 1.00 25.43 H new ATOM 0 HG12 VAL A 116 39.264 7.081 39.259 1.00 25.43 H new ATOM 0 HG13 VAL A 116 38.349 8.374 39.249 1.00 25.43 H new ATOM 0 HG21 VAL A 116 35.781 7.105 40.007 1.00 22.56 H new ATOM 0 HG22 VAL A 116 35.887 8.147 38.819 1.00 22.56 H new ATOM 0 HG23 VAL A 116 35.253 6.718 38.564 1.00 22.56 H new ATOM 833 N ASP A 117 39.742 7.573 36.467 1.00 26.81 N ATOM 834 CA ASP A 117 41.151 7.420 36.106 1.00 28.93 C ATOM 835 C ASP A 117 41.365 6.269 35.130 1.00 29.00 C ATOM 836 O ASP A 117 42.282 5.449 35.296 1.00 32.24 O ATOM 837 CB ASP A 117 41.986 7.218 37.362 1.00 29.68 C ATOM 838 CG ASP A 117 42.053 8.466 38.202 1.00 30.92 C ATOM 839 OD1 ASP A 117 42.229 8.365 39.440 1.00 31.43 O ATOM 840 OD2 ASP A 117 41.938 9.562 37.606 1.00 33.66 O ATOM 0 H ASP A 117 39.442 8.376 36.401 1.00 26.81 H new ATOM 0 HA ASP A 117 41.435 8.232 35.658 1.00 28.93 H new ATOM 0 HB2 ASP A 117 41.609 6.495 37.888 1.00 29.68 H new ATOM 0 HB3 ASP A 117 42.884 6.948 37.113 1.00 29.68 H new ATOM 841 N GLY A 118 40.497 6.209 34.126 1.00 28.75 N ATOM 842 CA GLY A 118 40.571 5.193 33.095 1.00 29.41 C ATOM 843 C GLY A 118 40.019 3.814 33.429 1.00 30.14 C ATOM 844 O GLY A 118 39.974 2.948 32.562 1.00 31.09 O ATOM 0 H GLY A 118 39.846 6.762 34.027 1.00 28.75 H new ATOM 0 HA2 GLY A 118 40.100 5.523 32.314 1.00 29.41 H new ATOM 0 HA3 GLY A 118 41.502 5.090 32.842 1.00 29.41 H new ATOM 845 N GLU A 119 39.592 3.599 34.671 1.00 27.55 N ATOM 846 CA GLU A 119 39.074 2.288 35.060 1.00 28.09 C ATOM 847 C GLU A 119 37.561 2.325 35.293 1.00 25.49 C ATOM 848 O GLU A 119 37.059 3.255 35.896 1.00 24.07 O ATOM 849 CB GLU A 119 39.747 1.838 36.350 1.00 31.80 C ATOM 850 CG GLU A 119 41.255 1.741 36.277 1.00 39.44 C ATOM 851 CD GLU A 119 41.723 0.782 35.191 1.00 43.62 C ATOM 852 OE1 GLU A 119 41.207 -0.363 35.134 1.00 46.06 O ATOM 853 OE2 GLU A 119 42.614 1.173 34.399 1.00 46.25 O ATOM 0 H GLU A 119 39.593 4.189 35.296 1.00 27.55 H new ATOM 0 HA GLU A 119 39.263 1.671 34.336 1.00 28.09 H new ATOM 0 HB2 GLU A 119 39.509 2.457 37.058 1.00 31.80 H new ATOM 0 HB3 GLU A 119 39.391 0.971 36.600 1.00 31.80 H new ATOM 0 HG2 GLU A 119 41.625 2.622 36.109 1.00 39.44 H new ATOM 0 HG3 GLU A 119 41.600 1.447 37.135 1.00 39.44 H new ATOM 854 N GLU A 120 36.846 1.318 34.801 1.00 24.71 N ATOM 855 CA GLU A 120 35.406 1.224 35.021 1.00 24.51 C ATOM 856 C GLU A 120 35.269 0.862 36.511 1.00 23.12 C ATOM 857 O GLU A 120 35.857 -0.122 36.942 1.00 23.82 O ATOM 858 CB GLU A 120 34.825 0.101 34.171 1.00 25.17 C ATOM 859 CG GLU A 120 33.337 -0.177 34.421 1.00 33.00 C ATOM 860 CD GLU A 120 32.754 -1.237 33.476 1.00 35.62 C ATOM 861 OE1 GLU A 120 33.308 -1.419 32.365 1.00 39.98 O ATOM 862 OE2 GLU A 120 31.736 -1.868 33.832 1.00 35.52 O ATOM 0 H GLU A 120 37.177 0.676 34.335 1.00 24.71 H new ATOM 0 HA GLU A 120 34.941 2.042 34.787 1.00 24.51 H new ATOM 0 HB2 GLU A 120 34.949 0.321 33.235 1.00 25.17 H new ATOM 0 HB3 GLU A 120 35.328 -0.711 34.340 1.00 25.17 H new ATOM 0 HG2 GLU A 120 33.218 -0.469 35.338 1.00 33.00 H new ATOM 0 HG3 GLU A 120 32.838 0.649 34.319 1.00 33.00 H new ATOM 863 N VAL A 121 34.540 1.659 37.292 1.00 20.74 N ATOM 864 CA VAL A 121 34.368 1.335 38.710 1.00 20.88 C ATOM 865 C VAL A 121 32.925 1.023 39.055 1.00 19.68 C ATOM 866 O VAL A 121 32.625 0.486 40.124 1.00 19.17 O ATOM 867 CB VAL A 121 34.854 2.456 39.659 1.00 22.09 C ATOM 868 CG1 VAL A 121 36.364 2.634 39.522 1.00 25.40 C ATOM 869 CG2 VAL A 121 34.109 3.756 39.403 1.00 22.28 C ATOM 0 H VAL A 121 34.145 2.376 37.029 1.00 20.74 H new ATOM 0 HA VAL A 121 34.920 0.549 38.845 1.00 20.88 H new ATOM 0 HB VAL A 121 34.660 2.197 40.573 1.00 22.09 H new ATOM 0 HG11 VAL A 121 36.663 3.338 40.119 1.00 25.40 H new ATOM 0 HG12 VAL A 121 36.810 1.804 39.753 1.00 25.40 H new ATOM 0 HG13 VAL A 121 36.580 2.873 38.607 1.00 25.40 H new ATOM 0 HG21 VAL A 121 34.433 4.440 40.010 1.00 22.28 H new ATOM 0 HG22 VAL A 121 34.258 4.040 38.488 1.00 22.28 H new ATOM 0 HG23 VAL A 121 33.160 3.619 39.548 1.00 22.28 H new ATOM 870 N LEU A 122 32.015 1.358 38.161 1.00 18.41 N ATOM 871 CA LEU A 122 30.618 1.100 38.432 1.00 18.18 C ATOM 872 C LEU A 122 29.796 1.057 37.156 1.00 19.01 C ATOM 873 O LEU A 122 30.001 1.873 36.249 1.00 18.58 O ATOM 874 CB LEU A 122 30.068 2.196 39.341 1.00 17.43 C ATOM 875 CG LEU A 122 28.581 2.110 39.671 1.00 20.34 C ATOM 876 CD1 LEU A 122 28.297 0.901 40.602 1.00 19.48 C ATOM 877 CD2 LEU A 122 28.146 3.427 40.307 1.00 19.71 C ATOM 0 H LEU A 122 32.181 1.730 37.403 1.00 18.41 H new ATOM 0 HA LEU A 122 30.554 0.234 38.863 1.00 18.18 H new ATOM 0 HB2 LEU A 122 30.567 2.182 40.173 1.00 17.43 H new ATOM 0 HB3 LEU A 122 30.239 3.054 38.922 1.00 17.43 H new ATOM 0 HG LEU A 122 28.068 1.968 38.860 1.00 20.34 H new ATOM 0 HD11 LEU A 122 27.349 0.862 40.801 1.00 19.48 H new ATOM 0 HD12 LEU A 122 28.568 0.081 40.160 1.00 19.48 H new ATOM 0 HD13 LEU A 122 28.796 1.004 41.427 1.00 19.48 H new ATOM 0 HD21 LEU A 122 27.201 3.386 40.522 1.00 19.71 H new ATOM 0 HD22 LEU A 122 28.656 3.579 41.118 1.00 19.71 H new ATOM 0 HD23 LEU A 122 28.304 4.155 39.685 1.00 19.71 H new ATOM 878 N AARG A 123 28.870 0.108 37.080 0.50 18.04 N ATOM 879 N BARG A 123 28.879 0.098 37.091 0.50 17.66 N ATOM 880 CA AARG A 123 27.990 0.004 35.922 0.50 17.99 C ATOM 881 CA BARG A 123 27.982 -0.044 35.949 0.50 17.36 C ATOM 882 C AARG A 123 26.583 -0.302 36.425 0.50 18.41 C ATOM 883 C BARG A 123 26.573 -0.301 36.469 0.50 18.04 C ATOM 884 O AARG A 123 26.319 -1.386 36.958 0.50 18.79 O ATOM 885 O BARG A 123 26.297 -1.348 37.065 0.50 18.08 O ATOM 886 CB AARG A 123 28.469 -1.087 34.958 0.50 18.28 C ATOM 887 CB BARG A 123 28.430 -1.191 35.034 0.50 17.13 C ATOM 888 CG AARG A 123 27.763 -1.023 33.592 0.50 21.02 C ATOM 889 CG BARG A 123 27.456 -1.453 33.872 0.50 19.32 C ATOM 890 CD AARG A 123 28.035 -2.243 32.745 0.50 24.28 C ATOM 891 CD BARG A 123 28.062 -2.282 32.754 0.50 22.27 C ATOM 892 NE AARG A 123 27.040 -2.407 31.688 0.50 24.68 N ATOM 893 NE BARG A 123 29.261 -1.664 32.193 0.50 22.15 N ATOM 894 CZ AARG A 123 27.280 -2.257 30.388 0.50 28.29 C ATOM 895 CZ BARG A 123 29.772 -1.950 31.001 0.50 24.34 C ATOM 896 NH1AARG A 123 28.497 -1.935 29.965 0.50 28.92 N ATOM 897 NH1BARG A 123 29.192 -2.858 30.214 0.50 26.32 N ATOM 898 NH2AARG A 123 26.297 -2.426 29.507 0.50 26.22 N ATOM 899 NH2BARG A 123 30.862 -1.321 30.592 0.50 23.38 N ATOM 0 H AARG A 123 28.735 -0.485 37.688 0.50 17.66 H new ATOM 0 H BARG A 123 28.759 -0.489 37.708 0.50 17.66 H new ATOM 0 HA AARG A 123 27.996 0.840 35.430 0.50 17.36 H new ATOM 0 HA BARG A 123 28.000 0.771 35.424 0.50 17.36 H new ATOM 0 HB2AARG A 123 29.426 -1.001 34.828 0.50 17.13 H new ATOM 0 HB2BARG A 123 29.307 -0.986 34.674 0.50 17.13 H new ATOM 0 HB3AARG A 123 28.314 -1.957 35.358 0.50 17.13 H new ATOM 0 HB3BARG A 123 28.522 -2.000 35.561 0.50 17.13 H new ATOM 0 HG2AARG A 123 26.807 -0.934 33.729 0.50 19.32 H new ATOM 0 HG2BARG A 123 26.670 -1.908 34.214 0.50 19.32 H new ATOM 0 HG3AARG A 123 28.056 -0.230 33.116 0.50 19.32 H new ATOM 0 HG3BARG A 123 27.158 -0.604 33.511 0.50 19.32 H new ATOM 0 HD2AARG A 123 28.918 -2.171 32.349 0.50 22.27 H new ATOM 0 HD2BARG A 123 28.283 -3.164 33.092 0.50 22.27 H new ATOM 0 HD3AARG A 123 28.040 -3.033 33.308 0.50 22.27 H new ATOM 0 HD3BARG A 123 27.404 -2.404 32.051 0.50 22.27 H new ATOM 0 HE AARG A 123 26.240 -2.616 31.924 0.50 22.15 H new ATOM 0 HE BARG A 123 29.665 -1.072 32.669 0.50 22.15 H new ATOM 0 HH11AARG A 123 29.134 -1.823 30.532 0.50 26.32 H new ATOM 0 HH11BARG A 123 28.481 -3.264 30.477 0.50 26.32 H new ATOM 0 HH12AARG A 123 28.648 -1.839 29.124 0.50 26.32 H new ATOM 0 HH12BARG A 123 29.529 -3.037 29.443 0.50 26.32 H new ATOM 0 HH21AARG A 123 25.507 -2.632 29.778 0.50 23.38 H new ATOM 0 HH21BARG A 123 31.234 -0.732 31.097 0.50 23.38 H new ATOM 0 HH22AARG A 123 26.451 -2.329 28.667 0.50 23.38 H new ATOM 0 HH22BARG A 123 31.199 -1.501 29.821 0.50 23.38 H new ATOM 900 N LEU A 124 25.681 0.661 36.276 1.00 16.84 N ATOM 901 CA LEU A 124 24.314 0.488 36.737 1.00 15.68 C ATOM 902 C LEU A 124 23.545 -0.058 35.546 1.00 17.67 C ATOM 903 O LEU A 124 23.326 0.658 34.535 1.00 17.19 O ATOM 904 CB LEU A 124 23.718 1.825 37.208 1.00 16.57 C ATOM 905 CG LEU A 124 24.542 2.571 38.269 1.00 19.41 C ATOM 906 CD1 LEU A 124 23.881 3.924 38.595 1.00 19.60 C ATOM 907 CD2 LEU A 124 24.612 1.718 39.569 1.00 18.15 C ATOM 0 H ALEU A 124 25.842 1.422 35.910 0.50 16.84 H new ATOM 0 H BLEU A 124 25.844 1.410 35.886 0.50 16.84 H new ATOM 0 HA LEU A 124 24.269 -0.113 37.497 1.00 15.68 H new ATOM 0 HB2 LEU A 124 23.610 2.404 36.437 1.00 16.57 H new ATOM 0 HB3 LEU A 124 22.831 1.660 37.565 1.00 16.57 H new ATOM 0 HG LEU A 124 25.436 2.722 37.923 1.00 19.41 H new ATOM 0 HD11 LEU A 124 24.407 4.388 39.265 1.00 19.60 H new ATOM 0 HD12 LEU A 124 23.834 4.464 37.790 1.00 19.60 H new ATOM 0 HD13 LEU A 124 22.985 3.773 38.935 1.00 19.60 H new ATOM 0 HD21 LEU A 124 25.132 2.190 40.238 1.00 18.15 H new ATOM 0 HD22 LEU A 124 23.715 1.566 39.905 1.00 18.15 H new ATOM 0 HD23 LEU A 124 25.032 0.866 39.375 1.00 18.15 H new ATOM 908 N ARG A 125 23.148 -1.325 35.631 1.00 15.67 N ATOM 909 CA ARG A 125 22.449 -1.920 34.495 1.00 17.50 C ATOM 910 C ARG A 125 20.946 -1.863 34.566 1.00 16.64 C ATOM 911 O ARG A 125 20.341 -1.761 35.657 1.00 18.37 O ATOM 912 CB ARG A 125 22.893 -3.377 34.306 1.00 17.73 C ATOM 913 CG ARG A 125 24.364 -3.550 33.986 1.00 20.38 C ATOM 914 CD ARG A 125 24.687 -5.043 33.748 1.00 21.08 C ATOM 915 NE ARG A 125 26.102 -5.292 33.541 1.00 24.35 N ATOM 916 CZ ARG A 125 26.688 -5.474 32.359 1.00 27.31 C ATOM 917 NH1 ARG A 125 25.981 -5.438 31.237 1.00 28.68 N ATOM 918 NH2 ARG A 125 27.987 -5.700 32.311 1.00 28.67 N ATOM 0 H ARG A 125 23.267 -1.841 36.309 1.00 15.67 H new ATOM 0 HA ARG A 125 22.699 -1.373 33.734 1.00 17.50 H new ATOM 0 HB2 ARG A 125 22.689 -3.873 35.115 1.00 17.73 H new ATOM 0 HB3 ARG A 125 22.370 -3.772 33.591 1.00 17.73 H new ATOM 0 HG2 ARG A 125 24.593 -3.033 33.198 1.00 20.38 H new ATOM 0 HG3 ARG A 125 24.903 -3.208 34.716 1.00 20.38 H new ATOM 0 HD2 ARG A 125 24.381 -5.560 34.509 1.00 21.08 H new ATOM 0 HD3 ARG A 125 24.192 -5.356 32.975 1.00 21.08 H new ATOM 0 HE ARG A 125 26.603 -5.325 34.239 1.00 24.35 H new ATOM 0 HH11 ARG A 125 25.133 -5.296 31.267 1.00 28.68 H new ATOM 0 HH12 ARG A 125 26.370 -5.557 30.479 1.00 28.68 H new ATOM 0 HH21 ARG A 125 28.446 -5.728 33.038 1.00 28.67 H new ATOM 0 HH22 ARG A 125 28.375 -5.819 31.553 1.00 28.67 H new ATOM 919 N GLN A 126 20.326 -1.887 33.381 1.00 16.51 N ATOM 920 CA GLN A 126 18.889 -1.895 33.273 1.00 17.46 C ATOM 921 C GLN A 126 18.242 -0.678 33.923 1.00 18.16 C ATOM 922 O GLN A 126 17.212 -0.793 34.567 1.00 18.23 O ATOM 923 CB GLN A 126 18.344 -3.203 33.897 1.00 20.32 C ATOM 924 CG GLN A 126 18.942 -4.457 33.233 1.00 22.08 C ATOM 925 CD GLN A 126 18.419 -5.779 33.828 1.00 24.45 C ATOM 926 OE1 GLN A 126 18.677 -6.099 34.985 1.00 22.68 O ATOM 927 NE2 GLN A 126 17.667 -6.548 33.018 1.00 22.61 N ATOM 0 H GLN A 126 20.737 -1.899 32.626 1.00 16.51 H new ATOM 0 HA GLN A 126 18.659 -1.853 32.332 1.00 17.46 H new ATOM 0 HB2 GLN A 126 18.544 -3.215 34.846 1.00 20.32 H new ATOM 0 HB3 GLN A 126 17.378 -3.223 33.811 1.00 20.32 H new ATOM 0 HG2 GLN A 126 18.743 -4.437 32.284 1.00 22.08 H new ATOM 0 HG3 GLN A 126 19.908 -4.431 33.321 1.00 22.08 H new ATOM 0 HE21 GLN A 126 17.505 -6.294 32.212 1.00 22.61 H new ATOM 0 HE22 GLN A 126 17.348 -7.293 33.306 1.00 22.61 H new ATOM 928 N VAL A 127 18.839 0.497 33.728 1.00 20.31 N ATOM 929 CA VAL A 127 18.304 1.703 34.332 1.00 21.81 C ATOM 930 C VAL A 127 17.742 2.684 33.311 1.00 25.43 C ATOM 931 O VAL A 127 17.363 3.793 33.661 1.00 22.89 O ATOM 932 CB VAL A 127 19.375 2.440 35.200 1.00 22.06 C ATOM 933 CG1 VAL A 127 19.780 1.549 36.380 1.00 22.26 C ATOM 934 CG2 VAL A 127 20.600 2.798 34.357 1.00 20.73 C ATOM 0 H VAL A 127 19.547 0.612 33.254 1.00 20.31 H new ATOM 0 HA VAL A 127 17.576 1.401 34.897 1.00 21.81 H new ATOM 0 HB VAL A 127 18.992 3.264 35.539 1.00 22.06 H new ATOM 0 HG11 VAL A 127 20.445 2.007 36.918 1.00 22.26 H new ATOM 0 HG12 VAL A 127 19.000 1.358 36.924 1.00 22.26 H new ATOM 0 HG13 VAL A 127 20.152 0.718 36.045 1.00 22.26 H new ATOM 0 HG21 VAL A 127 21.253 3.254 34.911 1.00 20.73 H new ATOM 0 HG22 VAL A 127 20.993 1.988 33.996 1.00 20.73 H new ATOM 0 HG23 VAL A 127 20.333 3.380 33.628 1.00 20.73 H new ATOM 935 N SER A 128 17.678 2.265 32.053 1.00 31.01 N ATOM 936 CA SER A 128 17.167 3.126 30.989 1.00 38.45 C ATOM 937 C SER A 128 16.252 2.327 30.078 1.00 42.10 C ATOM 938 O SER A 128 16.304 1.096 30.057 1.00 43.92 O ATOM 939 CB SER A 128 18.320 3.671 30.144 1.00 40.70 C ATOM 940 OG SER A 128 19.249 4.391 30.930 1.00 42.45 O ATOM 0 H SER A 128 17.926 1.484 31.792 1.00 31.01 H new ATOM 0 HA SER A 128 16.683 3.860 31.399 1.00 38.45 H new ATOM 0 HB2 SER A 128 18.772 2.936 29.700 1.00 40.70 H new ATOM 0 HB3 SER A 128 17.967 4.248 29.449 1.00 40.70 H new ATOM 0 HG SER A 128 19.134 5.215 30.815 1.00 42.45 H new ATOM 941 N GLY A 129 15.419 3.031 29.321 1.00 45.49 N ATOM 942 CA GLY A 129 14.516 2.358 28.409 1.00 48.99 C ATOM 943 C GLY A 129 14.269 3.205 27.181 1.00 52.58 C ATOM 944 O GLY A 129 14.758 4.335 27.101 1.00 53.11 O ATOM 0 H GLY A 129 15.363 3.889 29.322 1.00 45.49 H new ATOM 0 HA2 GLY A 129 14.891 1.502 28.148 1.00 48.99 H new ATOM 0 HA3 GLY A 129 13.675 2.174 28.856 1.00 48.99 H new ATOM 945 N PRO A 130 13.514 2.680 26.200 1.00 54.72 N ATOM 946 CA PRO A 130 13.179 3.371 24.951 1.00 55.85 C ATOM 947 C PRO A 130 12.478 4.702 25.206 1.00 56.79 C ATOM 948 O PRO A 130 13.076 5.640 25.737 1.00 58.19 O ATOM 949 CB PRO A 130 12.274 2.368 24.239 1.00 56.36 C ATOM 950 CG PRO A 130 12.827 1.049 24.693 1.00 56.06 C ATOM 951 CD PRO A 130 13.034 1.286 26.170 1.00 55.79 C ATOM 0 HA PRO A 130 13.959 3.613 24.428 1.00 55.85 H new ATOM 0 HB2 PRO A 130 11.344 2.476 24.494 1.00 56.36 H new ATOM 0 HB3 PRO A 130 12.317 2.465 23.275 1.00 56.36 H new ATOM 0 HG2 PRO A 130 12.210 0.320 24.525 1.00 56.06 H new ATOM 0 HG3 PRO A 130 13.656 0.828 24.241 1.00 56.06 H new ATOM 0 HD2 PRO A 130 12.212 1.175 26.673 1.00 55.79 H new ATOM 0 HD3 PRO A 130 13.683 0.672 26.548 1.00 55.79 H new ATOM 952 N LYS A 134 13.011 11.699 28.438 1.00 65.48 N ATOM 953 CA LYS A 134 12.675 10.757 29.501 1.00 65.96 C ATOM 954 C LYS A 134 11.540 11.350 30.335 1.00 66.37 C ATOM 955 O LYS A 134 11.092 10.776 31.337 1.00 66.84 O ATOM 956 CB LYS A 134 13.906 10.492 30.367 1.00 65.38 C ATOM 957 CG LYS A 134 15.168 10.232 29.563 1.00 64.48 C ATOM 958 CD LYS A 134 16.292 9.703 30.433 1.00 62.94 C ATOM 959 CE LYS A 134 15.926 8.353 31.022 1.00 62.64 C ATOM 960 NZ LYS A 134 17.134 7.590 31.438 1.00 60.54 N ATOM 0 HA LYS A 134 12.387 9.911 29.123 1.00 65.96 H new ATOM 0 HB2 LYS A 134 14.053 11.254 30.949 1.00 65.38 H new ATOM 0 HB3 LYS A 134 13.732 9.728 30.939 1.00 65.38 H new ATOM 0 HG2 LYS A 134 14.977 9.593 28.858 1.00 64.48 H new ATOM 0 HG3 LYS A 134 15.452 11.053 29.132 1.00 64.48 H new ATOM 0 HD2 LYS A 134 17.103 9.622 29.907 1.00 62.94 H new ATOM 0 HD3 LYS A 134 16.478 10.333 31.147 1.00 62.94 H new ATOM 0 HE2 LYS A 134 15.344 8.480 31.787 1.00 62.64 H new ATOM 0 HE3 LYS A 134 15.427 7.839 30.368 1.00 62.64 H new ATOM 0 HZ1 LYS A 134 17.103 6.772 31.090 1.00 60.54 H new ATOM 0 HZ2 LYS A 134 17.864 8.008 31.148 1.00 60.54 H new ATOM 0 HZ3 LYS A 134 17.158 7.533 32.326 1.00 60.54 H new ATOM 961 N ARG A 135 11.085 12.515 29.888 1.00 66.05 N ATOM 962 CA ARG A 135 9.993 13.254 30.510 1.00 65.35 C ATOM 963 C ARG A 135 9.675 14.368 29.514 1.00 64.62 C ATOM 964 O ARG A 135 8.538 14.530 29.066 1.00 65.26 O ATOM 965 CB ARG A 135 10.431 13.833 31.858 1.00 64.98 C ATOM 966 CG ARG A 135 9.297 14.485 32.634 1.00 65.40 C ATOM 967 CD ARG A 135 8.117 13.537 32.794 1.00 66.23 C ATOM 968 NE ARG A 135 8.446 12.364 33.604 1.00 66.88 N ATOM 969 CZ ARG A 135 7.592 11.380 33.873 1.00 67.48 C ATOM 970 NH1 ARG A 135 6.354 11.423 33.396 1.00 67.65 N ATOM 971 NH2 ARG A 135 7.968 10.357 34.629 1.00 68.43 N ATOM 0 H ARG A 135 11.412 12.908 29.196 1.00 66.05 H new ATOM 0 HA ARG A 135 9.222 12.695 30.695 1.00 65.35 H new ATOM 0 HB2 ARG A 135 10.817 13.124 32.397 1.00 64.98 H new ATOM 0 HB3 ARG A 135 11.130 14.488 31.709 1.00 64.98 H new ATOM 0 HG2 ARG A 135 9.616 14.758 33.509 1.00 65.40 H new ATOM 0 HG3 ARG A 135 9.008 15.289 32.174 1.00 65.40 H new ATOM 0 HD2 ARG A 135 7.377 14.012 33.204 1.00 66.23 H new ATOM 0 HD3 ARG A 135 7.817 13.248 31.918 1.00 66.23 H new ATOM 0 HE ARG A 135 9.241 12.307 33.926 1.00 66.88 H new ATOM 0 HH11 ARG A 135 6.103 12.088 32.912 1.00 67.65 H new ATOM 0 HH12 ARG A 135 5.803 10.786 33.571 1.00 67.65 H new ATOM 0 HH21 ARG A 135 8.766 10.328 34.947 1.00 68.43 H new ATOM 0 HH22 ARG A 135 7.413 9.723 34.801 1.00 68.43 H new ATOM 972 N HIS A 136 10.705 15.128 29.168 1.00 63.31 N ATOM 973 CA HIS A 136 10.583 16.192 28.195 1.00 61.52 C ATOM 974 C HIS A 136 11.774 15.969 27.285 1.00 58.96 C ATOM 975 O HIS A 136 12.653 15.159 27.590 1.00 59.47 O ATOM 976 CB HIS A 136 10.669 17.562 28.861 1.00 64.09 C ATOM 977 CG HIS A 136 9.708 17.738 29.994 1.00 66.38 C ATOM 978 ND1 HIS A 136 9.085 16.830 30.782 1.00 67.32 N flip ATOM 979 CD2 HIS A 136 9.314 18.977 30.451 1.00 67.27 C flip ATOM 980 CE1 HIS A 136 8.334 17.531 31.694 1.00 68.72 C flip ATOM 981 NE2 HIS A 136 8.490 18.825 31.473 1.00 68.65 N flip ATOM 0 H HIS A 136 11.496 15.038 29.494 1.00 63.31 H new ATOM 0 HA HIS A 136 9.733 16.178 27.728 1.00 61.52 H new ATOM 0 HB2 HIS A 136 11.572 17.698 29.188 1.00 64.09 H new ATOM 0 HB3 HIS A 136 10.502 18.248 28.196 1.00 64.09 H new ATOM 0 HD2 HIS A 136 9.585 19.792 30.096 1.00 67.27 H new ATOM 0 HE1 HIS A 136 7.802 17.156 32.359 1.00 68.72 H new ATOM 0 HE2 HIS A 136 8.118 19.460 31.919 1.00 68.65 H new ATOM 982 N PRO A 137 11.821 16.667 26.152 1.00 55.88 N ATOM 983 CA PRO A 137 12.949 16.485 25.239 1.00 52.85 C ATOM 984 C PRO A 137 14.128 17.341 25.687 1.00 49.12 C ATOM 985 O PRO A 137 15.071 17.550 24.926 1.00 49.16 O ATOM 986 CB PRO A 137 12.377 16.957 23.914 1.00 53.96 C ATOM 987 CG PRO A 137 11.571 18.155 24.362 1.00 55.19 C ATOM 988 CD PRO A 137 10.867 17.660 25.622 1.00 55.56 C ATOM 0 HA PRO A 137 13.290 15.578 25.198 1.00 52.85 H new ATOM 0 HB2 PRO A 137 13.070 17.197 23.279 1.00 53.96 H new ATOM 0 HB3 PRO A 137 11.826 16.281 23.490 1.00 53.96 H new ATOM 0 HG2 PRO A 137 12.139 18.919 24.547 1.00 55.19 H new ATOM 0 HG3 PRO A 137 10.936 18.432 23.683 1.00 55.19 H new ATOM 0 HD2 PRO A 137 10.707 18.380 26.253 1.00 55.56 H new ATOM 0 HD3 PRO A 137 10.005 17.262 25.422 1.00 55.56 H new ATOM 989 N ILE A 138 14.063 17.834 26.922 1.00 44.97 N ATOM 990 CA ILE A 138 15.122 18.684 27.464 1.00 41.05 C ATOM 991 C ILE A 138 15.808 18.162 28.730 1.00 37.86 C ATOM 992 O ILE A 138 15.152 17.815 29.717 1.00 36.80 O ATOM 993 CB ILE A 138 14.600 20.089 27.808 1.00 40.91 C ATOM 994 CG1 ILE A 138 14.095 20.793 26.552 1.00 41.80 C ATOM 995 CG2 ILE A 138 15.712 20.920 28.427 1.00 41.90 C ATOM 996 CD1 ILE A 138 13.727 22.231 26.800 1.00 43.47 C ATOM 0 H ILE A 138 13.412 17.688 27.464 1.00 44.97 H new ATOM 0 HA ILE A 138 15.773 18.693 26.745 1.00 41.05 H new ATOM 0 HB ILE A 138 13.869 19.996 28.439 1.00 40.91 H new ATOM 0 HG12 ILE A 138 14.779 20.752 25.866 1.00 41.80 H new ATOM 0 HG13 ILE A 138 13.321 20.319 26.210 1.00 41.80 H new ATOM 0 HG21 ILE A 138 15.375 21.804 28.641 1.00 41.90 H new ATOM 0 HG22 ILE A 138 16.025 20.489 29.238 1.00 41.90 H new ATOM 0 HG23 ILE A 138 16.446 20.998 27.798 1.00 41.90 H new ATOM 0 HD11 ILE A 138 13.413 22.632 25.974 1.00 43.47 H new ATOM 0 HD12 ILE A 138 13.025 22.275 27.468 1.00 43.47 H new ATOM 0 HD13 ILE A 138 14.506 22.714 27.118 1.00 43.47 H new ATOM 997 N MET A 139 17.133 18.139 28.687 1.00 34.25 N ATOM 998 CA MET A 139 17.940 17.709 29.832 1.00 30.39 C ATOM 999 C MET A 139 18.728 18.903 30.369 1.00 28.59 C ATOM 1000 O MET A 139 19.327 19.664 29.595 1.00 27.45 O ATOM 1001 CB MET A 139 18.937 16.634 29.408 1.00 31.26 C ATOM 1002 CG MET A 139 19.780 16.053 30.574 1.00 30.86 C ATOM 1003 SD MET A 139 20.958 14.838 29.984 1.00 35.18 S ATOM 1004 CE MET A 139 19.889 13.432 29.690 1.00 35.70 C ATOM 0 H MET A 139 17.593 18.370 27.998 1.00 34.25 H new ATOM 0 HA MET A 139 17.346 17.353 30.512 1.00 30.39 H new ATOM 0 HB2 MET A 139 18.454 15.910 28.979 1.00 31.26 H new ATOM 0 HB3 MET A 139 19.537 17.007 28.743 1.00 31.26 H new ATOM 0 HG2 MET A 139 20.251 16.771 31.024 1.00 30.86 H new ATOM 0 HG3 MET A 139 19.192 15.645 31.229 1.00 30.86 H new ATOM 0 HE1 MET A 139 20.093 12.731 30.329 1.00 35.70 H new ATOM 0 HE2 MET A 139 18.963 13.702 29.792 1.00 35.70 H new ATOM 0 HE3 MET A 139 20.031 13.100 28.790 1.00 35.70 H new ATOM 1005 N ARG A 140 18.730 19.052 31.687 1.00 26.27 N ATOM 1006 CA ARG A 140 19.485 20.100 32.370 1.00 23.42 C ATOM 1007 C ARG A 140 20.619 19.408 33.120 1.00 24.06 C ATOM 1008 O ARG A 140 20.420 18.303 33.637 1.00 21.10 O ATOM 1009 CB ARG A 140 18.616 20.797 33.406 1.00 23.04 C ATOM 1010 CG ARG A 140 17.395 21.504 32.818 1.00 22.48 C ATOM 1011 CD ARG A 140 16.687 22.274 33.890 1.00 26.53 C ATOM 1012 NE ARG A 140 16.156 21.435 34.966 1.00 26.74 N ATOM 1013 CZ ARG A 140 15.639 21.943 36.080 1.00 27.50 C ATOM 1014 NH1 ARG A 140 15.593 23.268 36.226 1.00 28.67 N ATOM 1015 NH2 ARG A 140 15.175 21.153 37.043 1.00 24.92 N ATOM 0 H ARG A 140 18.288 18.542 32.219 1.00 26.27 H new ATOM 0 HA ARG A 140 19.800 20.752 31.725 1.00 23.42 H new ATOM 0 HB2 ARG A 140 18.317 20.143 34.057 1.00 23.04 H new ATOM 0 HB3 ARG A 140 19.156 21.446 33.883 1.00 23.04 H new ATOM 0 HG2 ARG A 140 17.670 22.103 32.106 1.00 22.48 H new ATOM 0 HG3 ARG A 140 16.793 20.853 32.425 1.00 22.48 H new ATOM 0 HD2 ARG A 140 17.300 22.923 34.269 1.00 26.53 H new ATOM 0 HD3 ARG A 140 15.958 22.773 33.490 1.00 26.53 H new ATOM 0 HE ARG A 140 16.180 20.580 34.874 1.00 26.74 H new ATOM 0 HH11 ARG A 140 15.895 23.780 35.604 1.00 28.67 H new ATOM 0 HH12 ARG A 140 15.261 23.610 36.942 1.00 28.67 H new ATOM 0 HH21 ARG A 140 15.207 20.299 36.951 1.00 24.92 H new ATOM 0 HH22 ARG A 140 14.843 21.496 37.758 1.00 24.92 H new ATOM 1016 N ILE A 141 21.790 20.037 33.144 1.00 21.73 N ATOM 1017 CA ILE A 141 22.944 19.526 33.885 1.00 22.53 C ATOM 1018 C ILE A 141 23.449 20.687 34.734 1.00 23.60 C ATOM 1019 O ILE A 141 23.832 21.752 34.200 1.00 25.00 O ATOM 1020 CB ILE A 141 24.092 19.059 32.974 1.00 22.21 C ATOM 1021 CG1 ILE A 141 23.624 17.921 32.050 1.00 20.81 C ATOM 1022 CG2 ILE A 141 25.270 18.552 33.864 1.00 22.96 C ATOM 1023 CD1 ILE A 141 24.653 17.428 31.082 1.00 20.21 C ATOM 0 H ILE A 141 21.940 20.776 32.730 1.00 21.73 H new ATOM 0 HA ILE A 141 22.667 18.754 34.403 1.00 22.53 H new ATOM 0 HB ILE A 141 24.382 19.804 32.424 1.00 22.21 H new ATOM 0 HG12 ILE A 141 23.333 17.176 32.599 1.00 20.81 H new ATOM 0 HG13 ILE A 141 22.850 18.225 31.551 1.00 20.81 H new ATOM 0 HG21 ILE A 141 25.999 18.255 33.298 1.00 22.96 H new ATOM 0 HG22 ILE A 141 25.578 19.273 34.435 1.00 22.96 H new ATOM 0 HG23 ILE A 141 24.966 17.812 34.413 1.00 22.96 H new ATOM 0 HD11 ILE A 141 24.275 16.716 30.543 1.00 20.21 H new ATOM 0 HD12 ILE A 141 24.931 18.157 30.505 1.00 20.21 H new ATOM 0 HD13 ILE A 141 25.421 17.091 31.569 1.00 20.21 H new ATOM 1024 N ALA A 142 23.434 20.507 36.049 1.00 22.88 N ATOM 1025 CA ALA A 142 23.893 21.548 36.967 1.00 22.37 C ATOM 1026 C ALA A 142 25.191 21.103 37.629 1.00 25.25 C ATOM 1027 O ALA A 142 25.273 19.989 38.178 1.00 23.96 O ATOM 1028 CB ALA A 142 22.848 21.826 38.033 1.00 23.81 C ATOM 0 H ALA A 142 23.161 19.788 36.433 1.00 22.88 H new ATOM 0 HA ALA A 142 24.042 22.363 36.462 1.00 22.37 H new ATOM 0 HB1 ALA A 142 23.171 22.518 38.631 1.00 23.81 H new ATOM 0 HB2 ALA A 142 22.026 22.122 37.611 1.00 23.81 H new ATOM 0 HB3 ALA A 142 22.678 21.016 38.539 1.00 23.81 H new ATOM 1029 N LEU A 143 26.204 21.967 37.577 1.00 22.58 N ATOM 1030 CA LEU A 143 27.498 21.651 38.178 1.00 24.90 C ATOM 1031 C LEU A 143 27.621 22.169 39.609 1.00 26.32 C ATOM 1032 O LEU A 143 27.251 23.310 39.905 1.00 26.00 O ATOM 1033 CB LEU A 143 28.620 22.247 37.326 1.00 27.19 C ATOM 1034 CG LEU A 143 28.626 21.902 35.843 1.00 29.61 C ATOM 1035 CD1 LEU A 143 29.933 22.425 35.228 1.00 30.25 C ATOM 1036 CD2 LEU A 143 28.507 20.400 35.641 1.00 30.40 C ATOM 0 H LEU A 143 26.163 22.739 37.200 1.00 22.58 H new ATOM 0 HA LEU A 143 27.571 20.684 38.210 1.00 24.90 H new ATOM 0 HB2 LEU A 143 28.581 23.213 37.410 1.00 27.19 H new ATOM 0 HB3 LEU A 143 29.467 21.964 37.704 1.00 27.19 H new ATOM 0 HG LEU A 143 27.866 22.318 35.407 1.00 29.61 H new ATOM 0 HD11 LEU A 143 29.953 22.213 34.282 1.00 30.25 H new ATOM 0 HD12 LEU A 143 29.984 23.387 35.345 1.00 30.25 H new ATOM 0 HD13 LEU A 143 30.689 22.006 35.669 1.00 30.25 H new ATOM 0 HD21 LEU A 143 28.512 20.199 34.692 1.00 30.40 H new ATOM 0 HD22 LEU A 143 29.255 19.955 36.069 1.00 30.40 H new ATOM 0 HD23 LEU A 143 27.677 20.085 36.033 1.00 30.40 H new ATOM 1037 N GLY A 144 28.132 21.318 40.505 1.00 25.77 N ATOM 1038 CA GLY A 144 28.321 21.720 41.887 1.00 26.40 C ATOM 1039 C GLY A 144 27.096 21.987 42.737 1.00 27.32 C ATOM 1040 O GLY A 144 27.202 22.587 43.804 1.00 28.90 O ATOM 0 H GLY A 144 28.372 20.511 40.327 1.00 25.77 H new ATOM 0 HA2 GLY A 144 28.840 21.029 42.327 1.00 26.40 H new ATOM 0 HA3 GLY A 144 28.862 22.525 41.889 1.00 26.40 H new ATOM 1041 N GLY A 145 25.926 21.549 42.284 1.00 25.69 N ATOM 1042 CA GLY A 145 24.740 21.768 43.077 1.00 25.42 C ATOM 1043 C GLY A 145 23.553 21.064 42.472 1.00 24.51 C ATOM 1044 O GLY A 145 23.665 20.506 41.383 1.00 23.56 O ATOM 0 H GLY A 145 25.805 21.135 41.540 1.00 25.69 H new ATOM 0 HA2 GLY A 145 24.886 21.446 43.980 1.00 25.42 H new ATOM 0 HA3 GLY A 145 24.559 22.719 43.140 1.00 25.42 H new ATOM 1045 N LEU A 146 22.434 21.090 43.191 1.00 25.88 N ATOM 1046 CA LEU A 146 21.177 20.467 42.770 1.00 27.72 C ATOM 1047 C LEU A 146 20.177 21.509 42.265 1.00 30.36 C ATOM 1048 O LEU A 146 20.368 22.714 42.454 1.00 30.59 O ATOM 1049 CB LEU A 146 20.533 19.768 43.956 1.00 30.81 C ATOM 1050 CG LEU A 146 21.481 18.877 44.750 1.00 28.90 C ATOM 1051 CD1 LEU A 146 20.858 18.535 46.093 1.00 29.30 C ATOM 1052 CD2 LEU A 146 21.758 17.619 43.934 1.00 27.82 C ATOM 0 H LEU A 146 22.381 21.479 43.956 1.00 25.88 H new ATOM 0 HA LEU A 146 21.389 19.843 42.058 1.00 27.72 H new ATOM 0 HB2 LEU A 146 20.162 20.439 44.551 1.00 30.81 H new ATOM 0 HB3 LEU A 146 19.791 19.230 43.637 1.00 30.81 H new ATOM 0 HG LEU A 146 22.319 19.336 44.920 1.00 28.90 H new ATOM 0 HD11 LEU A 146 21.463 17.968 46.596 1.00 29.30 H new ATOM 0 HD12 LEU A 146 20.692 19.351 46.590 1.00 29.30 H new ATOM 0 HD13 LEU A 146 20.020 18.067 45.952 1.00 29.30 H new ATOM 0 HD21 LEU A 146 22.361 17.040 44.426 1.00 27.82 H new ATOM 0 HD22 LEU A 146 20.925 17.151 43.768 1.00 27.82 H new ATOM 0 HD23 LEU A 146 22.165 17.865 43.088 1.00 27.82 H new ATOM 1053 N LEU A 147 19.112 21.033 41.622 1.00 30.72 N ATOM 1054 CA LEU A 147 18.057 21.923 41.152 1.00 30.76 C ATOM 1055 C LEU A 147 16.780 21.727 41.975 1.00 32.15 C ATOM 1056 O LEU A 147 15.674 22.062 41.537 1.00 34.44 O ATOM 1057 CB LEU A 147 17.802 21.731 39.654 1.00 29.78 C ATOM 1058 CG LEU A 147 19.005 22.203 38.831 1.00 28.19 C ATOM 1059 CD1 LEU A 147 18.755 22.011 37.350 1.00 28.97 C ATOM 1060 CD2 LEU A 147 19.319 23.671 39.170 1.00 28.89 C ATOM 0 H LEU A 147 18.983 20.200 41.449 1.00 30.72 H new ATOM 0 HA LEU A 147 18.350 22.839 41.278 1.00 30.76 H new ATOM 0 HB2 LEU A 147 17.626 20.795 39.469 1.00 29.78 H new ATOM 0 HB3 LEU A 147 17.011 22.226 39.391 1.00 29.78 H new ATOM 0 HG LEU A 147 19.779 21.665 39.060 1.00 28.19 H new ATOM 0 HD11 LEU A 147 19.528 22.316 36.849 1.00 28.97 H new ATOM 0 HD12 LEU A 147 18.602 21.071 37.167 1.00 28.97 H new ATOM 0 HD13 LEU A 147 17.975 22.523 37.084 1.00 28.97 H new ATOM 0 HD21 LEU A 147 20.081 23.968 38.648 1.00 28.89 H new ATOM 0 HD22 LEU A 147 18.549 24.223 38.961 1.00 28.89 H new ATOM 0 HD23 LEU A 147 19.525 23.748 40.115 1.00 28.89 H new ATOM 1061 N PHE A 148 16.947 21.138 43.160 1.00 31.01 N ATOM 1062 CA PHE A 148 15.875 20.961 44.132 1.00 30.20 C ATOM 1063 C PHE A 148 16.555 20.876 45.502 1.00 28.95 C ATOM 1064 O PHE A 148 17.791 20.757 45.584 1.00 29.81 O ATOM 1065 CB PHE A 148 14.957 19.742 43.817 1.00 31.49 C ATOM 1066 CG PHE A 148 15.651 18.391 43.773 1.00 33.41 C ATOM 1067 CD1 PHE A 148 15.367 17.499 42.738 1.00 32.78 C ATOM 1068 CD2 PHE A 148 16.506 17.973 44.793 1.00 35.71 C ATOM 1069 CE1 PHE A 148 15.915 16.214 42.717 1.00 32.85 C ATOM 1070 CE2 PHE A 148 17.061 16.684 44.779 1.00 36.31 C ATOM 1071 CZ PHE A 148 16.758 15.806 43.737 1.00 31.15 C ATOM 0 H PHE A 148 17.703 20.825 43.424 1.00 31.01 H new ATOM 0 HA PHE A 148 15.259 21.709 44.105 1.00 30.20 H new ATOM 0 HB2 PHE A 148 14.255 19.705 44.485 1.00 31.49 H new ATOM 0 HB3 PHE A 148 14.526 19.894 42.961 1.00 31.49 H new ATOM 0 HD1 PHE A 148 14.802 17.765 42.049 1.00 32.78 H new ATOM 0 HD2 PHE A 148 16.710 18.554 45.489 1.00 35.71 H new ATOM 0 HE1 PHE A 148 15.714 15.633 42.019 1.00 32.85 H new ATOM 0 HE2 PHE A 148 17.630 16.415 45.463 1.00 36.31 H new ATOM 0 HZ PHE A 148 17.121 14.950 43.728 1.00 31.15 H new ATOM 1072 N PRO A 149 15.792 21.002 46.595 1.00 27.61 N ATOM 1073 CA PRO A 149 16.404 20.932 47.928 1.00 27.89 C ATOM 1074 C PRO A 149 17.134 19.612 48.147 1.00 28.05 C ATOM 1075 O PRO A 149 16.697 18.587 47.640 1.00 28.90 O ATOM 1076 CB PRO A 149 15.219 21.095 48.866 1.00 27.34 C ATOM 1077 CG PRO A 149 14.284 21.999 48.055 1.00 26.74 C ATOM 1078 CD PRO A 149 14.363 21.351 46.683 1.00 27.57 C ATOM 0 HA PRO A 149 17.086 21.608 48.068 1.00 27.89 H new ATOM 0 HB2 PRO A 149 14.805 20.244 49.078 1.00 27.34 H new ATOM 0 HB3 PRO A 149 15.477 21.503 49.708 1.00 27.34 H new ATOM 0 HG2 PRO A 149 13.380 22.001 48.407 1.00 26.74 H new ATOM 0 HG3 PRO A 149 14.586 22.921 48.043 1.00 26.74 H new ATOM 0 HD2 PRO A 149 13.793 20.569 46.617 1.00 27.57 H new ATOM 0 HD3 PRO A 149 14.093 21.959 45.977 1.00 27.57 H new ATOM 1079 N ALA A 150 18.242 19.651 48.885 1.00 27.91 N ATOM 1080 CA ALA A 150 19.023 18.440 49.159 1.00 29.09 C ATOM 1081 C ALA A 150 18.194 17.423 49.932 1.00 31.18 C ATOM 1082 O ALA A 150 18.416 16.210 49.837 1.00 28.24 O ATOM 1083 CB ALA A 150 20.287 18.784 49.931 1.00 28.53 C ATOM 0 H ALA A 150 18.561 20.368 49.237 1.00 27.91 H new ATOM 0 HA ALA A 150 19.275 18.046 48.309 1.00 29.09 H new ATOM 0 HB1 ALA A 150 20.791 17.974 50.104 1.00 28.53 H new ATOM 0 HB2 ALA A 150 20.829 19.396 49.409 1.00 28.53 H new ATOM 0 HB3 ALA A 150 20.048 19.202 50.773 1.00 28.53 H new ATOM 1084 N SER A 151 17.244 17.931 50.707 1.00 33.45 N ATOM 1085 CA SER A 151 16.341 17.096 51.483 1.00 36.24 C ATOM 1086 C SER A 151 15.511 16.208 50.562 1.00 36.32 C ATOM 1087 O SER A 151 14.902 15.244 51.021 1.00 39.22 O ATOM 1088 CB SER A 151 15.385 17.976 52.288 1.00 39.49 C ATOM 1089 OG SER A 151 14.469 18.618 51.411 1.00 42.33 O ATOM 0 H SER A 151 17.105 18.775 50.797 1.00 33.45 H new ATOM 0 HA SER A 151 16.874 16.544 52.077 1.00 36.24 H new ATOM 0 HB2 SER A 151 14.903 17.437 52.935 1.00 39.49 H new ATOM 0 HB3 SER A 151 15.886 18.639 52.788 1.00 39.49 H new ATOM 0 HG SER A 151 13.944 19.099 51.857 1.00 42.33 H new ATOM 1090 N ASN A 152 15.468 16.538 49.271 1.00 36.67 N ATOM 1091 CA ASN A 152 14.698 15.770 48.293 1.00 37.11 C ATOM 1092 C ASN A 152 15.470 14.639 47.634 1.00 34.24 C ATOM 1093 O ASN A 152 14.950 13.934 46.765 1.00 35.41 O ATOM 1094 CB ASN A 152 14.168 16.670 47.183 1.00 40.04 C ATOM 1095 CG ASN A 152 12.919 17.410 47.585 1.00 43.56 C ATOM 1096 OD1 ASN A 152 12.712 17.577 48.893 1.00 46.03 O flip ATOM 1097 ND2 ASN A 152 12.146 17.837 46.726 1.00 45.97 N flip ATOM 0 H ASN A 152 15.884 17.213 48.938 1.00 36.67 H new ATOM 0 HA ASN A 152 13.977 15.380 48.811 1.00 37.11 H new ATOM 0 HB2 ASN A 152 14.853 17.310 46.935 1.00 40.04 H new ATOM 0 HB3 ASN A 152 13.983 16.133 46.396 1.00 40.04 H new ATOM 0 HD21 ASN A 152 12.316 17.708 45.893 1.00 45.97 H new ATOM 0 HD22 ASN A 152 11.437 18.264 46.960 1.00 45.97 H new ATOM 1098 N LEU A 153 16.729 14.497 48.008 1.00 30.32 N ATOM 1099 CA LEU A 153 17.527 13.414 47.457 1.00 26.48 C ATOM 1100 C LEU A 153 16.994 12.136 48.090 1.00 25.09 C ATOM 1101 O LEU A 153 16.296 12.177 49.107 1.00 22.11 O ATOM 1102 CB LEU A 153 18.995 13.602 47.843 1.00 23.50 C ATOM 1103 CG LEU A 153 19.725 14.687 47.049 1.00 23.55 C ATOM 1104 CD1 LEU A 153 21.107 14.936 47.638 1.00 22.07 C ATOM 1105 CD2 LEU A 153 19.852 14.215 45.585 1.00 22.75 C ATOM 0 H LEU A 153 17.136 15.006 48.569 1.00 30.32 H new ATOM 0 HA LEU A 153 17.471 13.388 46.489 1.00 26.48 H new ATOM 0 HB2 LEU A 153 19.044 13.819 48.787 1.00 23.50 H new ATOM 0 HB3 LEU A 153 19.460 12.760 47.721 1.00 23.50 H new ATOM 0 HG LEU A 153 19.225 15.517 47.091 1.00 23.55 H new ATOM 0 HD11 LEU A 153 21.558 15.625 47.126 1.00 22.07 H new ATOM 0 HD12 LEU A 153 21.019 15.225 48.560 1.00 22.07 H new ATOM 0 HD13 LEU A 153 21.626 14.117 47.604 1.00 22.07 H new ATOM 0 HD21 LEU A 153 20.313 14.892 45.065 1.00 22.75 H new ATOM 0 HD22 LEU A 153 20.355 13.386 45.555 1.00 22.75 H new ATOM 0 HD23 LEU A 153 18.968 14.070 45.214 1.00 22.75 H new ATOM 1106 N ARG A 154 17.303 10.999 47.470 1.00 24.31 N ATOM 1107 CA ARG A 154 16.898 9.731 48.046 1.00 23.95 C ATOM 1108 C ARG A 154 17.570 9.626 49.397 1.00 21.23 C ATOM 1109 O ARG A 154 16.953 9.187 50.375 1.00 22.44 O ATOM 1110 CB ARG A 154 17.360 8.567 47.167 1.00 22.64 C ATOM 1111 CG ARG A 154 16.457 8.338 45.985 1.00 23.74 C ATOM 1112 CD ARG A 154 17.036 7.271 45.067 1.00 22.34 C ATOM 1113 NE ARG A 154 17.472 6.094 45.782 1.00 24.05 N ATOM 1114 CZ ARG A 154 16.680 5.096 46.132 1.00 23.09 C ATOM 1115 NH1 ARG A 154 17.184 4.064 46.774 1.00 22.45 N ATOM 1116 NH2 ARG A 154 15.389 5.133 45.838 1.00 22.67 N ATOM 0 H ARG A 154 17.738 10.944 46.730 1.00 24.31 H new ATOM 0 HA ARG A 154 15.932 9.689 48.120 1.00 23.95 H new ATOM 0 HB2 ARG A 154 18.261 8.742 46.852 1.00 22.64 H new ATOM 0 HB3 ARG A 154 17.398 7.758 47.701 1.00 22.64 H new ATOM 0 HG2 ARG A 154 15.578 8.066 46.291 1.00 23.74 H new ATOM 0 HG3 ARG A 154 16.342 9.167 45.494 1.00 23.74 H new ATOM 0 HD2 ARG A 154 16.368 7.017 44.411 1.00 22.34 H new ATOM 0 HD3 ARG A 154 17.786 7.644 44.578 1.00 22.34 H new ATOM 0 HE ARG A 154 18.304 6.039 45.994 1.00 24.05 H new ATOM 0 HH11 ARG A 154 18.023 4.043 46.963 1.00 22.45 H new ATOM 0 HH12 ARG A 154 16.675 3.411 47.005 1.00 22.45 H new ATOM 0 HH21 ARG A 154 15.063 5.809 45.418 1.00 22.67 H new ATOM 0 HH22 ARG A 154 14.877 4.481 46.068 1.00 22.67 H new ATOM 1117 N LEU A 155 18.842 10.028 49.429 1.00 22.26 N ATOM 1118 CA LEU A 155 19.651 10.026 50.642 1.00 21.00 C ATOM 1119 C LEU A 155 20.323 11.400 50.686 1.00 21.67 C ATOM 1120 O LEU A 155 21.293 11.670 49.991 1.00 19.80 O ATOM 1121 CB LEU A 155 20.719 8.917 50.597 1.00 21.45 C ATOM 1122 CG LEU A 155 21.599 8.886 51.858 1.00 23.40 C ATOM 1123 CD1 LEU A 155 20.709 8.592 53.044 1.00 24.83 C ATOM 1124 CD2 LEU A 155 22.695 7.843 51.739 1.00 23.15 C ATOM 0 H LEU A 155 19.262 10.313 48.735 1.00 22.26 H new ATOM 0 HA LEU A 155 19.106 9.857 51.427 1.00 21.00 H new ATOM 0 HB2 LEU A 155 20.282 8.057 50.491 1.00 21.45 H new ATOM 0 HB3 LEU A 155 21.282 9.047 49.818 1.00 21.45 H new ATOM 0 HG LEU A 155 22.036 9.744 51.971 1.00 23.40 H new ATOM 0 HD11 LEU A 155 21.244 8.568 53.852 1.00 24.83 H new ATOM 0 HD12 LEU A 155 20.036 9.286 53.123 1.00 24.83 H new ATOM 0 HD13 LEU A 155 20.275 7.734 52.918 1.00 24.83 H new ATOM 0 HD21 LEU A 155 23.233 7.845 52.546 1.00 23.15 H new ATOM 0 HD22 LEU A 155 22.297 6.967 51.619 1.00 23.15 H new ATOM 0 HD23 LEU A 155 23.257 8.049 50.976 1.00 23.15 H new ATOM 1125 N PRO A 156 19.794 12.296 51.518 1.00 21.72 N ATOM 1126 CA PRO A 156 20.409 13.611 51.572 1.00 22.37 C ATOM 1127 C PRO A 156 21.887 13.636 51.934 1.00 23.46 C ATOM 1128 O PRO A 156 22.402 12.747 52.641 1.00 24.07 O ATOM 1129 CB PRO A 156 19.560 14.342 52.622 1.00 23.00 C ATOM 1130 CG PRO A 156 18.194 13.701 52.468 1.00 24.22 C ATOM 1131 CD PRO A 156 18.571 12.232 52.339 1.00 22.67 C ATOM 0 HA PRO A 156 20.414 14.021 50.693 1.00 22.37 H new ATOM 0 HB2 PRO A 156 19.914 14.221 53.517 1.00 23.00 H new ATOM 0 HB3 PRO A 156 19.529 15.297 52.456 1.00 23.00 H new ATOM 0 HG2 PRO A 156 17.623 13.867 53.234 1.00 24.22 H new ATOM 0 HG3 PRO A 156 17.722 14.028 51.686 1.00 24.22 H new ATOM 0 HD2 PRO A 156 18.735 11.823 53.203 1.00 22.67 H new ATOM 0 HD3 PRO A 156 17.872 11.715 51.909 1.00 22.67 H new ATOM 1132 N LEU A 157 22.562 14.649 51.399 1.00 22.33 N ATOM 1133 CA LEU A 157 23.939 14.944 51.730 1.00 24.01 C ATOM 1134 C LEU A 157 24.009 16.466 51.647 1.00 24.42 C ATOM 1135 O LEU A 157 23.023 17.108 51.235 1.00 23.83 O ATOM 1136 CB LEU A 157 24.928 14.282 50.767 1.00 25.10 C ATOM 1137 CG LEU A 157 24.694 14.376 49.253 1.00 25.55 C ATOM 1138 CD1 LEU A 157 24.647 15.839 48.774 1.00 25.34 C ATOM 1139 CD2 LEU A 157 25.818 13.612 48.569 1.00 25.43 C ATOM 0 H LEU A 157 22.221 15.190 50.824 1.00 22.33 H new ATOM 0 HA LEU A 157 24.187 14.599 52.602 1.00 24.01 H new ATOM 0 HB2 LEU A 157 25.804 14.657 50.949 1.00 25.10 H new ATOM 0 HB3 LEU A 157 24.969 13.340 50.996 1.00 25.10 H new ATOM 0 HG LEU A 157 23.833 13.990 49.027 1.00 25.55 H new ATOM 0 HD11 LEU A 157 24.498 15.861 47.816 1.00 25.34 H new ATOM 0 HD12 LEU A 157 23.924 16.304 49.224 1.00 25.34 H new ATOM 0 HD13 LEU A 157 25.489 16.274 48.980 1.00 25.34 H new ATOM 0 HD21 LEU A 157 25.699 13.653 47.607 1.00 25.43 H new ATOM 0 HD22 LEU A 157 26.671 14.010 48.806 1.00 25.43 H new ATOM 0 HD23 LEU A 157 25.802 12.686 48.858 1.00 25.43 H new ATOM 1140 N VAL A 158 25.128 17.040 52.085 1.00 24.08 N ATOM 1141 CA VAL A 158 25.335 18.498 52.029 1.00 26.10 C ATOM 1142 C VAL A 158 26.037 18.703 50.689 1.00 24.12 C ATOM 1143 O VAL A 158 27.198 18.335 50.508 1.00 25.09 O ATOM 1144 CB VAL A 158 26.216 18.970 53.206 1.00 27.85 C ATOM 1145 CG1 VAL A 158 26.418 20.493 53.150 1.00 29.79 C ATOM 1146 CG2 VAL A 158 25.551 18.587 54.502 1.00 29.40 C ATOM 0 H VAL A 158 25.788 16.603 52.422 1.00 24.08 H new ATOM 0 HA VAL A 158 24.512 19.006 52.101 1.00 26.10 H new ATOM 0 HB VAL A 158 27.086 18.545 53.145 1.00 27.85 H new ATOM 0 HG11 VAL A 158 26.973 20.774 53.895 1.00 29.79 H new ATOM 0 HG12 VAL A 158 26.852 20.732 52.316 1.00 29.79 H new ATOM 0 HG13 VAL A 158 25.557 20.936 53.204 1.00 29.79 H new ATOM 0 HG21 VAL A 158 26.099 18.881 55.246 1.00 29.40 H new ATOM 0 HG22 VAL A 158 24.680 19.010 54.556 1.00 29.40 H new ATOM 0 HG23 VAL A 158 25.445 17.624 54.539 1.00 29.40 H new ATOM 1147 N PRO A 159 25.334 19.323 49.723 1.00 25.78 N ATOM 1148 CA PRO A 159 25.857 19.562 48.371 1.00 26.38 C ATOM 1149 C PRO A 159 27.181 20.273 48.128 1.00 24.89 C ATOM 1150 O PRO A 159 27.883 19.948 47.182 1.00 24.18 O ATOM 1151 CB PRO A 159 24.673 20.245 47.662 1.00 26.57 C ATOM 1152 CG PRO A 159 24.044 21.029 48.750 1.00 30.04 C ATOM 1153 CD PRO A 159 24.086 20.070 49.946 1.00 26.82 C ATOM 0 HA PRO A 159 26.150 18.704 48.027 1.00 26.38 H new ATOM 0 HB2 PRO A 159 24.969 20.814 46.934 1.00 26.57 H new ATOM 0 HB3 PRO A 159 24.058 19.597 47.284 1.00 26.57 H new ATOM 0 HG2 PRO A 159 24.533 21.847 48.930 1.00 30.04 H new ATOM 0 HG3 PRO A 159 23.135 21.284 48.528 1.00 30.04 H new ATOM 0 HD2 PRO A 159 24.099 20.548 50.790 1.00 26.82 H new ATOM 0 HD3 PRO A 159 23.314 19.483 49.964 1.00 26.82 H new ATOM 1154 N ALA A 160 27.551 21.221 48.985 1.00 26.25 N ATOM 1155 CA ALA A 160 28.789 21.947 48.742 1.00 27.22 C ATOM 1156 C ALA A 160 30.007 21.061 48.576 1.00 28.10 C ATOM 1157 O ALA A 160 30.375 20.308 49.475 1.00 28.12 O ATOM 1158 CB ALA A 160 29.053 22.966 49.881 1.00 27.92 C ATOM 0 H ALA A 160 27.115 21.452 49.689 1.00 26.25 H new ATOM 0 HA ALA A 160 28.657 22.403 47.896 1.00 27.22 H new ATOM 0 HB1 ALA A 160 29.880 23.441 49.705 1.00 27.92 H new ATOM 0 HB2 ALA A 160 28.320 23.599 49.925 1.00 27.92 H new ATOM 0 HB3 ALA A 160 29.124 22.496 50.726 1.00 27.92 H new ATOM 1159 N LEU A 161 30.641 21.175 47.421 1.00 27.89 N ATOM 1160 CA LEU A 161 31.844 20.427 47.149 1.00 30.71 C ATOM 1161 C LEU A 161 32.959 21.420 46.860 1.00 32.78 C ATOM 1162 O LEU A 161 32.981 22.076 45.815 1.00 31.16 O ATOM 1163 CB LEU A 161 31.667 19.500 45.960 1.00 31.11 C ATOM 1164 CG LEU A 161 32.898 18.615 45.764 1.00 33.63 C ATOM 1165 CD1 LEU A 161 32.998 17.662 46.953 1.00 33.43 C ATOM 1166 CD2 LEU A 161 32.797 17.842 44.458 1.00 34.52 C ATOM 0 H LEU A 161 30.385 21.686 46.779 1.00 27.89 H new ATOM 0 HA LEU A 161 32.057 19.877 47.919 1.00 30.71 H new ATOM 0 HB2 LEU A 161 30.883 18.944 46.093 1.00 31.11 H new ATOM 0 HB3 LEU A 161 31.510 20.023 45.159 1.00 31.11 H new ATOM 0 HG LEU A 161 33.697 19.163 45.716 1.00 33.63 H new ATOM 0 HD11 LEU A 161 33.775 17.091 46.846 1.00 33.43 H new ATOM 0 HD12 LEU A 161 33.084 18.174 47.772 1.00 33.43 H new ATOM 0 HD13 LEU A 161 32.199 17.114 46.997 1.00 33.43 H new ATOM 0 HD21 LEU A 161 33.585 17.286 44.349 1.00 34.52 H new ATOM 0 HD22 LEU A 161 32.006 17.281 44.474 1.00 34.52 H new ATOM 0 HD23 LEU A 161 32.736 18.465 43.717 1.00 34.52 H new ATOM 1167 N ASP A 162 33.882 21.513 47.810 1.00 33.79 N ATOM 1168 CA ASP A 162 35.024 22.409 47.722 1.00 34.98 C ATOM 1169 C ASP A 162 36.090 21.744 46.863 1.00 34.45 C ATOM 1170 O ASP A 162 37.014 21.113 47.371 1.00 34.41 O ATOM 1171 CB ASP A 162 35.556 22.672 49.135 1.00 37.79 C ATOM 1172 CG ASP A 162 36.604 23.771 49.178 1.00 41.48 C ATOM 1173 OD1 ASP A 162 36.799 24.454 48.151 1.00 43.29 O ATOM 1174 OD2 ASP A 162 37.232 23.956 50.250 1.00 44.02 O ATOM 0 H ASP A 162 33.861 21.050 48.534 1.00 33.79 H new ATOM 0 HA ASP A 162 34.772 23.255 47.321 1.00 34.98 H new ATOM 0 HB2 ASP A 162 34.816 22.914 49.714 1.00 37.79 H new ATOM 0 HB3 ASP A 162 35.938 21.854 49.489 1.00 37.79 H new ATOM 1175 N GLY A 163 35.946 21.868 45.552 1.00 34.39 N ATOM 1176 CA GLY A 163 36.899 21.246 44.660 1.00 34.52 C ATOM 1177 C GLY A 163 37.022 22.020 43.372 1.00 34.42 C ATOM 1178 O GLY A 163 36.365 23.042 43.187 1.00 34.97 O ATOM 0 H GLY A 163 35.312 22.302 45.166 1.00 34.39 H new ATOM 0 HA2 GLY A 163 37.765 21.193 45.093 1.00 34.52 H new ATOM 0 HA3 GLY A 163 36.622 20.336 44.469 1.00 34.52 H new ATOM 1179 N CYS A 164 37.847 21.520 42.468 1.00 35.89 N ATOM 1180 CA CYS A 164 38.067 22.183 41.197 1.00 36.76 C ATOM 1181 C CYS A 164 37.726 21.283 40.026 1.00 35.82 C ATOM 1182 O CYS A 164 37.964 20.073 40.071 1.00 34.63 O ATOM 1183 CB CYS A 164 39.521 22.631 41.116 1.00 42.87 C ATOM 1184 SG CYS A 164 39.910 23.877 42.387 1.00 51.99 S ATOM 0 H CYS A 164 38.292 20.792 42.573 1.00 35.89 H new ATOM 0 HA CYS A 164 37.479 22.953 41.145 1.00 36.76 H new ATOM 0 HB2 CYS A 164 40.104 21.863 41.225 1.00 42.87 H new ATOM 0 HB3 CYS A 164 39.699 22.999 40.236 1.00 42.87 H new ATOM 1185 N LEU A 165 37.180 21.889 38.974 1.00 33.16 N ATOM 1186 CA LEU A 165 36.774 21.175 37.782 1.00 33.22 C ATOM 1187 C LEU A 165 37.528 21.704 36.562 1.00 33.12 C ATOM 1188 O LEU A 165 37.707 22.910 36.413 1.00 33.46 O ATOM 1189 CB LEU A 165 35.271 21.374 37.563 1.00 34.14 C ATOM 1190 CG LEU A 165 34.672 20.650 36.356 1.00 36.16 C ATOM 1191 CD1 LEU A 165 34.205 19.284 36.797 1.00 37.08 C ATOM 1192 CD2 LEU A 165 33.497 21.436 35.784 1.00 36.89 C ATOM 0 H LEU A 165 37.036 22.736 38.938 1.00 33.16 H new ATOM 0 HA LEU A 165 36.976 20.233 37.896 1.00 33.22 H new ATOM 0 HB2 LEU A 165 34.803 21.079 38.360 1.00 34.14 H new ATOM 0 HB3 LEU A 165 35.098 22.324 37.468 1.00 34.14 H new ATOM 0 HG LEU A 165 35.347 20.568 35.664 1.00 36.16 H new ATOM 0 HD11 LEU A 165 33.822 18.813 36.040 1.00 37.08 H new ATOM 0 HD12 LEU A 165 34.958 18.781 37.143 1.00 37.08 H new ATOM 0 HD13 LEU A 165 33.534 19.380 37.491 1.00 37.08 H new ATOM 0 HD21 LEU A 165 33.131 20.962 35.021 1.00 36.89 H new ATOM 0 HD22 LEU A 165 32.811 21.533 36.463 1.00 36.89 H new ATOM 0 HD23 LEU A 165 33.800 22.314 35.504 1.00 36.89 H new ATOM 1193 N ARG A 166 37.979 20.815 35.695 1.00 32.80 N ATOM 1194 CA ARG A 166 38.662 21.263 34.497 1.00 33.18 C ATOM 1195 C ARG A 166 38.510 20.217 33.410 1.00 32.99 C ATOM 1196 O ARG A 166 38.080 19.094 33.684 1.00 30.09 O ATOM 1197 CB ARG A 166 40.142 21.544 34.787 1.00 34.78 C ATOM 1198 CG ARG A 166 40.996 20.313 34.949 1.00 34.44 C ATOM 1199 CD ARG A 166 42.464 20.688 35.141 1.00 35.92 C ATOM 1200 NE ARG A 166 43.292 19.490 35.183 1.00 37.55 N ATOM 1201 CZ ARG A 166 44.613 19.484 35.297 1.00 37.88 C ATOM 1202 NH1 ARG A 166 45.289 20.626 35.378 1.00 37.12 N ATOM 1203 NH2 ARG A 166 45.254 18.325 35.335 1.00 37.69 N ATOM 0 H ARG A 166 37.902 19.962 35.778 1.00 32.80 H new ATOM 0 HA ARG A 166 38.262 22.093 34.194 1.00 33.18 H new ATOM 0 HB2 ARG A 166 40.504 22.081 34.065 1.00 34.78 H new ATOM 0 HB3 ARG A 166 40.205 22.076 35.596 1.00 34.78 H new ATOM 0 HG2 ARG A 166 40.687 19.799 35.712 1.00 34.44 H new ATOM 0 HG3 ARG A 166 40.903 19.745 34.168 1.00 34.44 H new ATOM 0 HD2 ARG A 166 42.754 21.264 34.416 1.00 35.92 H new ATOM 0 HD3 ARG A 166 42.571 21.191 35.963 1.00 35.92 H new ATOM 0 HE ARG A 166 42.894 18.729 35.130 1.00 37.55 H new ATOM 0 HH11 ARG A 166 44.870 21.376 35.357 1.00 37.12 H new ATOM 0 HH12 ARG A 166 46.146 20.614 35.452 1.00 37.12 H new ATOM 0 HH21 ARG A 166 44.813 17.588 35.286 1.00 37.69 H new ATOM 0 HH22 ARG A 166 46.111 18.310 35.409 1.00 37.69 H new ATOM 1204 N ARG A 167 38.835 20.601 32.177 1.00 31.70 N ATOM 1205 CA ARG A 167 38.755 19.717 31.019 1.00 34.08 C ATOM 1206 C ARG A 167 37.416 18.996 30.910 1.00 32.84 C ATOM 1207 O ARG A 167 37.362 17.830 30.529 1.00 31.95 O ATOM 1208 CB ARG A 167 39.876 18.679 31.064 1.00 37.01 C ATOM 1209 CG ARG A 167 41.260 19.278 30.957 1.00 42.64 C ATOM 1210 CD ARG A 167 42.320 18.211 31.139 1.00 47.89 C ATOM 1211 NE ARG A 167 43.641 18.806 31.306 1.00 51.59 N ATOM 1212 CZ ARG A 167 44.731 18.126 31.646 1.00 53.66 C ATOM 1213 NH1 ARG A 167 44.662 16.814 31.861 1.00 54.09 N ATOM 1214 NH2 ARG A 167 45.891 18.759 31.775 1.00 54.48 N ATOM 0 H ARG A 167 39.112 21.393 31.989 1.00 31.70 H new ATOM 0 HA ARG A 167 38.848 20.285 30.238 1.00 34.08 H new ATOM 0 HB2 ARG A 167 39.811 18.180 31.893 1.00 37.01 H new ATOM 0 HB3 ARG A 167 39.749 18.045 30.341 1.00 37.01 H new ATOM 0 HG2 ARG A 167 41.368 19.703 30.092 1.00 42.64 H new ATOM 0 HG3 ARG A 167 41.371 19.969 31.629 1.00 42.64 H new ATOM 0 HD2 ARG A 167 42.107 17.668 31.914 1.00 47.89 H new ATOM 0 HD3 ARG A 167 42.323 17.620 30.370 1.00 47.89 H new ATOM 0 HE ARG A 167 43.720 19.652 31.176 1.00 51.59 H new ATOM 0 HH11 ARG A 167 43.910 16.404 31.780 1.00 54.09 H new ATOM 0 HH12 ARG A 167 45.369 16.377 32.081 1.00 54.09 H new ATOM 0 HH21 ARG A 167 45.936 19.607 31.639 1.00 54.48 H new ATOM 0 HH22 ARG A 167 46.598 18.321 31.995 1.00 54.48 H new ATOM 1215 N ASP A 168 36.341 19.705 31.228 1.00 33.10 N ATOM 1216 CA ASP A 168 35.003 19.134 31.175 1.00 31.89 C ATOM 1217 C ASP A 168 34.328 19.231 29.812 1.00 32.70 C ATOM 1218 O ASP A 168 34.289 20.299 29.192 1.00 32.19 O ATOM 1219 CB ASP A 168 34.125 19.809 32.211 1.00 32.04 C ATOM 1220 CG ASP A 168 34.111 21.314 32.058 1.00 35.51 C ATOM 1221 OD1 ASP A 168 33.017 21.898 32.058 1.00 33.80 O ATOM 1222 OD2 ASP A 168 35.209 21.907 31.941 1.00 37.85 O ATOM 0 H ASP A 168 36.366 20.527 31.480 1.00 33.10 H new ATOM 0 HA ASP A 168 35.111 18.188 31.359 1.00 31.89 H new ATOM 0 HB2 ASP A 168 33.219 19.470 32.135 1.00 32.04 H new ATOM 0 HB3 ASP A 168 34.441 19.579 33.099 1.00 32.04 H new ATOM 1223 N SER A 169 33.790 18.105 29.362 1.00 31.35 N ATOM 1224 CA SER A 169 33.078 17.992 28.091 1.00 32.25 C ATOM 1225 C SER A 169 31.721 17.395 28.449 1.00 31.74 C ATOM 1226 O SER A 169 31.667 16.347 29.096 1.00 32.65 O ATOM 1227 CB SER A 169 33.829 17.034 27.170 1.00 32.89 C ATOM 1228 OG SER A 169 33.277 17.040 25.867 1.00 37.30 O ATOM 0 H SER A 169 33.829 17.364 29.797 1.00 31.35 H new ATOM 0 HA SER A 169 32.997 18.845 27.637 1.00 32.25 H new ATOM 0 HB2 SER A 169 34.764 17.287 27.129 1.00 32.89 H new ATOM 0 HB3 SER A 169 33.794 16.136 27.535 1.00 32.89 H new ATOM 0 HG SER A 169 33.706 16.508 25.378 1.00 37.30 H new ATOM 1229 N TRP A 170 30.633 18.034 28.038 1.00 30.07 N ATOM 1230 CA TRP A 170 29.305 17.524 28.389 1.00 30.85 C ATOM 1231 C TRP A 170 28.461 17.209 27.153 1.00 32.10 C ATOM 1232 O TRP A 170 28.061 18.124 26.424 1.00 31.91 O ATOM 1233 CB TRP A 170 28.567 18.542 29.266 1.00 28.12 C ATOM 1234 CG TRP A 170 29.325 18.991 30.467 1.00 27.17 C ATOM 1235 CD1 TRP A 170 30.162 20.061 30.562 1.00 27.93 C ATOM 1236 CD2 TRP A 170 29.402 18.310 31.721 1.00 26.37 C ATOM 1237 NE1 TRP A 170 30.767 20.086 31.798 1.00 29.93 N ATOM 1238 CE2 TRP A 170 30.317 19.016 32.528 1.00 27.51 C ATOM 1239 CE3 TRP A 170 28.793 17.163 32.234 1.00 26.03 C ATOM 1240 CZ2 TRP A 170 30.640 18.613 33.821 1.00 25.05 C ATOM 1241 CZ3 TRP A 170 29.111 16.765 33.516 1.00 25.23 C ATOM 1242 CH2 TRP A 170 30.025 17.485 34.296 1.00 25.70 C ATOM 0 H TRP A 170 30.636 18.751 27.564 1.00 30.07 H new ATOM 0 HA TRP A 170 29.435 16.696 28.877 1.00 30.85 H new ATOM 0 HB2 TRP A 170 28.349 19.318 28.727 1.00 28.12 H new ATOM 0 HB3 TRP A 170 27.727 18.153 29.555 1.00 28.12 H new ATOM 0 HD1 TRP A 170 30.304 20.686 29.888 1.00 27.93 H new ATOM 0 HE1 TRP A 170 31.333 20.675 32.068 1.00 29.93 H new ATOM 0 HE3 TRP A 170 28.186 16.678 31.723 1.00 26.03 H new ATOM 0 HZ2 TRP A 170 31.247 19.089 34.340 1.00 25.05 H new ATOM 0 HZ3 TRP A 170 28.711 16.004 33.869 1.00 25.23 H new ATOM 0 HH2 TRP A 170 30.219 17.190 35.157 1.00 25.70 H new ATOM 1243 N LEU A 171 28.204 15.925 26.912 1.00 32.48 N ATOM 1244 CA LEU A 171 27.401 15.499 25.762 1.00 36.01 C ATOM 1245 C LEU A 171 27.971 16.090 24.468 1.00 39.85 C ATOM 1246 O LEU A 171 29.179 16.000 24.225 1.00 39.33 O ATOM 1247 CB LEU A 171 25.949 15.937 25.961 1.00 34.52 C ATOM 1248 CG LEU A 171 25.277 15.338 27.206 1.00 34.50 C ATOM 1249 CD1 LEU A 171 23.920 15.972 27.463 1.00 36.22 C ATOM 1250 CD2 LEU A 171 25.140 13.857 27.004 1.00 35.30 C ATOM 0 H LEU A 171 28.487 15.279 27.405 1.00 32.48 H new ATOM 0 HA LEU A 171 27.431 14.532 25.691 1.00 36.01 H new ATOM 0 HB2 LEU A 171 25.919 16.905 26.023 1.00 34.52 H new ATOM 0 HB3 LEU A 171 25.436 15.687 25.177 1.00 34.52 H new ATOM 0 HG LEU A 171 25.826 15.518 27.985 1.00 34.50 H new ATOM 0 HD11 LEU A 171 23.521 15.575 28.253 1.00 36.22 H new ATOM 0 HD12 LEU A 171 24.029 16.926 27.601 1.00 36.22 H new ATOM 0 HD13 LEU A 171 23.342 15.821 26.699 1.00 36.22 H new ATOM 0 HD21 LEU A 171 24.717 13.462 27.782 1.00 35.30 H new ATOM 0 HD22 LEU A 171 24.596 13.686 26.219 1.00 35.30 H new ATOM 0 HD23 LEU A 171 26.018 13.465 26.880 1.00 35.30 H new ATOM 1251 N ASP A 172 27.102 16.665 23.633 1.00 44.23 N ATOM 1252 CA ASP A 172 27.523 17.291 22.371 1.00 48.96 C ATOM 1253 C ASP A 172 27.147 18.767 22.379 1.00 49.90 C ATOM 1254 O ASP A 172 25.988 19.116 22.616 1.00 48.93 O ATOM 1255 CB ASP A 172 26.848 16.635 21.150 1.00 51.66 C ATOM 1256 CG ASP A 172 27.202 15.164 20.995 1.00 55.30 C ATOM 1257 OD1 ASP A 172 28.399 14.821 21.118 1.00 57.54 O ATOM 1258 OD2 ASP A 172 26.282 14.353 20.739 1.00 56.80 O ATOM 0 H ASP A 172 26.255 16.704 23.779 1.00 44.23 H new ATOM 0 HA ASP A 172 28.483 17.175 22.300 1.00 48.96 H new ATOM 0 HB2 ASP A 172 25.886 16.724 21.232 1.00 51.66 H new ATOM 0 HB3 ASP A 172 27.110 17.112 20.347 1.00 51.66 H new ATOM 1259 N LYS A 173 28.128 19.625 22.110 1.00 52.44 N ATOM 1260 CA LYS A 173 27.908 21.066 22.071 1.00 53.56 C ATOM 1261 C LYS A 173 26.783 21.401 21.090 1.00 54.17 C ATOM 1262 O LYS A 173 26.070 22.390 21.256 1.00 53.98 O ATOM 1263 CB LYS A 173 29.192 21.782 21.642 1.00 55.40 C ATOM 1264 CG LYS A 173 29.221 23.268 21.968 1.00 56.67 C ATOM 1265 CD LYS A 173 29.195 23.500 23.469 1.00 58.06 C ATOM 1266 CE LYS A 173 29.101 24.982 23.796 1.00 58.71 C ATOM 1267 NZ LYS A 173 28.995 25.214 25.260 1.00 59.47 N ATOM 0 H LYS A 173 28.938 19.388 21.945 1.00 52.44 H new ATOM 0 HA LYS A 173 27.656 21.365 22.959 1.00 53.56 H new ATOM 0 HB2 LYS A 173 29.948 21.353 22.072 1.00 55.40 H new ATOM 0 HB3 LYS A 173 29.308 21.669 20.686 1.00 55.40 H new ATOM 0 HG2 LYS A 173 30.019 23.669 21.590 1.00 56.67 H new ATOM 0 HG3 LYS A 173 28.460 23.707 21.557 1.00 56.67 H new ATOM 0 HD2 LYS A 173 28.440 23.032 23.858 1.00 58.06 H new ATOM 0 HD3 LYS A 173 29.996 23.128 23.870 1.00 58.06 H new ATOM 0 HE2 LYS A 173 29.883 25.440 23.451 1.00 58.71 H new ATOM 0 HE3 LYS A 173 28.329 25.364 23.350 1.00 58.71 H new ATOM 0 HZ1 LYS A 173 29.390 25.984 25.468 1.00 59.47 H new ATOM 0 HZ2 LYS A 173 28.137 25.248 25.494 1.00 59.47 H new ATOM 0 HZ3 LYS A 173 29.395 24.549 25.696 1.00 59.47 H new ATOM 1268 N GLN A 174 26.626 20.567 20.067 1.00 54.49 N ATOM 1269 CA GLN A 174 25.588 20.791 19.074 1.00 54.58 C ATOM 1270 C GLN A 174 24.196 20.636 19.678 1.00 54.01 C ATOM 1271 O GLN A 174 23.255 21.313 19.261 1.00 54.39 O ATOM 1272 CB GLN A 174 25.765 19.833 17.898 1.00 56.26 C ATOM 1273 CG GLN A 174 27.128 19.945 17.223 1.00 58.47 C ATOM 1274 CD GLN A 174 27.124 19.413 15.797 1.00 60.05 C ATOM 1275 OE1 GLN A 174 26.361 19.886 14.950 1.00 60.97 O ATOM 1276 NE2 GLN A 174 27.982 18.431 15.522 1.00 61.11 N ATOM 0 H GLN A 174 27.109 19.869 19.932 1.00 54.49 H new ATOM 0 HA GLN A 174 25.673 21.703 18.755 1.00 54.58 H new ATOM 0 HB2 GLN A 174 25.640 18.923 18.210 1.00 56.26 H new ATOM 0 HB3 GLN A 174 25.072 20.006 17.242 1.00 56.26 H new ATOM 0 HG2 GLN A 174 27.406 20.874 17.217 1.00 58.47 H new ATOM 0 HG3 GLN A 174 27.784 19.456 17.744 1.00 58.47 H new ATOM 0 HE21 GLN A 174 28.499 18.126 16.138 1.00 61.11 H new ATOM 0 HE22 GLN A 174 28.019 18.102 14.728 1.00 61.11 H new ATOM 1277 N ALA A 175 24.062 19.759 20.669 1.00 52.10 N ATOM 1278 CA ALA A 175 22.764 19.556 21.309 1.00 50.93 C ATOM 1279 C ALA A 175 22.511 20.557 22.438 1.00 49.60 C ATOM 1280 O ALA A 175 21.409 20.613 22.988 1.00 48.68 O ATOM 1281 CB ALA A 175 22.653 18.132 21.845 1.00 50.72 C ATOM 0 H ALA A 175 24.701 19.277 20.983 1.00 52.10 H new ATOM 0 HA ALA A 175 22.087 19.702 20.630 1.00 50.93 H new ATOM 0 HB1 ALA A 175 21.788 18.011 22.267 1.00 50.72 H new ATOM 0 HB2 ALA A 175 22.746 17.502 21.113 1.00 50.72 H new ATOM 0 HB3 ALA A 175 23.354 17.976 22.497 1.00 50.72 H new ATOM 1282 N GLU A 176 23.519 21.359 22.766 1.00 49.03 N ATOM 1283 CA GLU A 176 23.372 22.329 23.848 1.00 48.90 C ATOM 1284 C GLU A 176 22.465 23.499 23.466 1.00 48.10 C ATOM 1285 O GLU A 176 22.723 24.213 22.492 1.00 47.89 O ATOM 1286 CB GLU A 176 24.750 22.845 24.290 1.00 50.18 C ATOM 1287 CG GLU A 176 24.748 23.498 25.674 1.00 52.36 C ATOM 1288 CD GLU A 176 26.156 23.725 26.234 1.00 54.81 C ATOM 1289 OE1 GLU A 176 26.978 22.778 26.212 1.00 55.34 O ATOM 1290 OE2 GLU A 176 26.438 24.848 26.708 1.00 55.97 O ATOM 0 H GLU A 176 24.288 21.359 22.380 1.00 49.03 H new ATOM 0 HA GLU A 176 22.946 21.869 24.588 1.00 48.90 H new ATOM 0 HB2 GLU A 176 25.378 22.106 24.291 1.00 50.18 H new ATOM 0 HB3 GLU A 176 25.070 23.488 23.638 1.00 50.18 H new ATOM 0 HG2 GLU A 176 24.285 24.349 25.623 1.00 52.36 H new ATOM 0 HG3 GLU A 176 24.248 22.939 26.289 1.00 52.36 H new ATOM 1291 N ILE A 177 21.403 23.680 24.244 1.00 45.83 N ATOM 1292 CA ILE A 177 20.439 24.747 24.023 1.00 44.90 C ATOM 1293 C ILE A 177 20.894 26.069 24.645 1.00 44.51 C ATOM 1294 O ILE A 177 20.830 27.127 24.005 1.00 43.99 O ATOM 1295 CB ILE A 177 19.071 24.399 24.640 1.00 45.06 C ATOM 1296 CG1 ILE A 177 18.492 23.152 23.976 1.00 44.43 C ATOM 1297 CG2 ILE A 177 18.108 25.577 24.478 1.00 45.48 C ATOM 1298 CD1 ILE A 177 17.109 22.771 24.517 1.00 44.85 C ATOM 0 H ILE A 177 21.222 23.181 24.921 1.00 45.83 H new ATOM 0 HA ILE A 177 20.367 24.843 23.060 1.00 44.90 H new ATOM 0 HB ILE A 177 19.192 24.219 25.585 1.00 45.06 H new ATOM 0 HG12 ILE A 177 18.430 23.301 23.019 1.00 44.43 H new ATOM 0 HG13 ILE A 177 19.101 22.409 24.108 1.00 44.43 H new ATOM 0 HG21 ILE A 177 17.250 25.350 24.869 1.00 45.48 H new ATOM 0 HG22 ILE A 177 18.471 26.356 24.927 1.00 45.48 H new ATOM 0 HG23 ILE A 177 17.992 25.773 23.535 1.00 45.48 H new ATOM 0 HD11 ILE A 177 16.791 21.976 24.062 1.00 44.85 H new ATOM 0 HD12 ILE A 177 17.171 22.595 25.469 1.00 44.85 H new ATOM 0 HD13 ILE A 177 16.489 23.501 24.363 1.00 44.85 H new ATOM 1299 N SER A 178 21.352 26.004 25.892 1.00 42.16 N ATOM 1300 CA SER A 178 21.786 27.201 26.600 1.00 41.08 C ATOM 1301 C SER A 178 22.606 26.883 27.840 1.00 40.22 C ATOM 1302 O SER A 178 22.689 25.736 28.276 1.00 38.34 O ATOM 1303 CB SER A 178 20.567 28.022 27.023 1.00 42.68 C ATOM 1304 OG SER A 178 19.781 27.288 27.954 1.00 45.94 O ATOM 0 H SER A 178 21.419 25.276 26.345 1.00 42.16 H new ATOM 0 HA SER A 178 22.348 27.700 25.987 1.00 41.08 H new ATOM 0 HB2 SER A 178 20.854 28.859 27.421 1.00 42.68 H new ATOM 0 HB3 SER A 178 20.033 28.246 26.245 1.00 42.68 H new ATOM 0 HG SER A 178 19.800 27.672 28.701 1.00 45.94 H new ATOM 1305 N ALA A 179 23.198 27.921 28.410 1.00 38.69 N ATOM 1306 CA ALA A 179 24.007 27.796 29.612 1.00 39.37 C ATOM 1307 C ALA A 179 23.865 29.047 30.474 1.00 40.59 C ATOM 1308 O ALA A 179 23.870 30.174 29.969 1.00 39.27 O ATOM 1309 CB ALA A 179 25.467 27.581 29.240 1.00 37.89 C ATOM 0 H ALA A 179 23.142 28.724 28.108 1.00 38.69 H new ATOM 0 HA ALA A 179 23.696 27.030 30.119 1.00 39.37 H new ATOM 0 HB1 ALA A 179 25.998 27.499 30.047 1.00 37.89 H new ATOM 0 HB2 ALA A 179 25.551 26.770 28.714 1.00 37.89 H new ATOM 0 HB3 ALA A 179 25.784 28.337 28.721 1.00 37.89 H new ATOM 1310 N SER A 180 23.728 28.840 31.775 1.00 40.56 N ATOM 1311 CA SER A 180 23.584 29.933 32.723 1.00 43.95 C ATOM 1312 C SER A 180 24.596 29.792 33.839 1.00 46.41 C ATOM 1313 O SER A 180 25.164 28.722 34.054 1.00 45.80 O ATOM 1314 CB SER A 180 22.193 29.932 33.353 1.00 44.37 C ATOM 1315 OG SER A 180 21.174 30.148 32.396 1.00 49.23 O ATOM 0 H SER A 180 23.716 28.059 32.135 1.00 40.56 H new ATOM 0 HA SER A 180 23.724 30.760 32.236 1.00 43.95 H new ATOM 0 HB2 SER A 180 22.042 29.084 33.798 1.00 44.37 H new ATOM 0 HB3 SER A 180 22.147 30.622 34.033 1.00 44.37 H new ATOM 0 HG SER A 180 20.425 30.140 32.777 1.00 49.23 H new ATOM 1316 N ALA A 181 24.803 30.888 34.557 1.00 49.49 N ATOM 1317 CA ALA A 181 25.709 30.914 35.691 1.00 53.47 C ATOM 1318 C ALA A 181 25.198 32.015 36.611 1.00 56.21 C ATOM 1319 O ALA A 181 25.127 33.181 36.218 1.00 56.39 O ATOM 1320 CB ALA A 181 27.134 31.212 35.234 1.00 53.48 C ATOM 0 H ALA A 181 24.419 31.641 34.398 1.00 49.49 H new ATOM 0 HA ALA A 181 25.733 30.057 36.145 1.00 53.47 H new ATOM 0 HB1 ALA A 181 27.725 31.226 36.003 1.00 53.48 H new ATOM 0 HB2 ALA A 181 27.426 30.525 34.615 1.00 53.48 H new ATOM 0 HB3 ALA A 181 27.159 32.076 34.793 1.00 53.48 H new ATOM 1321 N PRO A 182 24.802 31.654 37.840 1.00 58.85 N ATOM 1322 CA PRO A 182 24.301 32.662 38.780 1.00 61.17 C ATOM 1323 C PRO A 182 25.308 33.803 38.927 1.00 63.37 C ATOM 1324 O PRO A 182 24.937 34.976 39.048 1.00 63.93 O ATOM 1325 CB PRO A 182 24.130 31.867 40.071 1.00 60.74 C ATOM 1326 CG PRO A 182 23.760 30.496 39.564 1.00 60.52 C ATOM 1327 CD PRO A 182 24.740 30.303 38.427 1.00 59.33 C ATOM 0 HA PRO A 182 23.477 33.091 38.500 1.00 61.17 H new ATOM 0 HB2 PRO A 182 24.946 31.850 40.595 1.00 60.74 H new ATOM 0 HB3 PRO A 182 23.437 32.242 40.637 1.00 60.74 H new ATOM 0 HG2 PRO A 182 23.861 29.817 40.249 1.00 60.52 H new ATOM 0 HG3 PRO A 182 22.840 30.458 39.260 1.00 60.52 H new ATOM 0 HD2 PRO A 182 25.607 30.004 38.742 1.00 59.33 H new ATOM 0 HD3 PRO A 182 24.428 29.644 37.787 1.00 59.33 H new ATOM 1328 N THR A 183 26.587 33.448 38.896 1.00 65.30 N ATOM 1329 CA THR A 183 27.657 34.426 39.031 1.00 67.27 C ATOM 1330 C THR A 183 28.812 34.011 38.126 1.00 67.86 C ATOM 1331 O THR A 183 28.785 32.929 37.538 1.00 68.07 O ATOM 1332 CB THR A 183 28.157 34.490 40.490 1.00 67.70 C ATOM 1333 OG1 THR A 183 29.033 33.386 40.748 1.00 68.42 O ATOM 1334 CG2 THR A 183 26.978 34.410 41.457 1.00 68.02 C ATOM 0 H THR A 183 26.858 32.638 38.797 1.00 65.30 H new ATOM 0 HA THR A 183 27.321 35.301 38.780 1.00 67.27 H new ATOM 0 HB THR A 183 28.627 35.329 40.618 1.00 67.70 H new ATOM 0 HG1 THR A 183 29.305 33.423 41.542 1.00 68.42 H new ATOM 0 HG21 THR A 183 27.304 34.451 42.370 1.00 68.02 H new ATOM 0 HG22 THR A 183 26.376 35.153 41.296 1.00 68.02 H new ATOM 0 HG23 THR A 183 26.504 33.575 41.321 1.00 68.02 H new ATOM 1335 N SER A 184 29.824 34.865 38.007 1.00 68.25 N ATOM 1336 CA SER A 184 30.969 34.535 37.167 1.00 68.92 C ATOM 1337 C SER A 184 31.698 33.335 37.774 1.00 68.39 C ATOM 1338 O SER A 184 31.807 33.214 38.997 1.00 67.99 O ATOM 1339 CB SER A 184 31.930 35.728 37.055 1.00 69.44 C ATOM 1340 OG SER A 184 32.660 35.924 38.256 1.00 71.19 O ATOM 0 H SER A 184 29.867 35.630 38.398 1.00 68.25 H new ATOM 0 HA SER A 184 30.655 34.318 36.275 1.00 68.92 H new ATOM 0 HB2 SER A 184 32.547 35.580 36.321 1.00 69.44 H new ATOM 0 HB3 SER A 184 31.428 36.531 36.846 1.00 69.44 H new ATOM 0 HG SER A 184 33.177 36.580 38.166 1.00 71.19 H new ATOM 1341 N LEU A 185 32.189 32.448 36.915 1.00 67.76 N ATOM 1342 CA LEU A 185 32.902 31.263 37.370 1.00 67.24 C ATOM 1343 C LEU A 185 34.245 31.626 37.989 1.00 67.07 C ATOM 1344 O LEU A 185 35.076 32.265 37.349 1.00 67.12 O ATOM 1345 CB LEU A 185 33.121 30.301 36.201 1.00 66.82 C ATOM 1346 CG LEU A 185 31.844 29.794 35.528 1.00 66.91 C ATOM 1347 CD1 LEU A 185 32.207 28.832 34.413 1.00 66.95 C ATOM 1348 CD2 LEU A 185 30.950 29.113 36.557 1.00 66.66 C ATOM 0 H LEU A 185 32.119 32.516 36.061 1.00 67.76 H new ATOM 0 HA LEU A 185 32.359 30.834 38.050 1.00 67.24 H new ATOM 0 HB2 LEU A 185 33.667 30.745 35.533 1.00 66.82 H new ATOM 0 HB3 LEU A 185 33.627 29.537 36.520 1.00 66.82 H new ATOM 0 HG LEU A 185 31.358 30.543 35.149 1.00 66.91 H new ATOM 0 HD11 LEU A 185 31.397 28.511 33.986 1.00 66.95 H new ATOM 0 HD12 LEU A 185 32.758 29.289 33.758 1.00 66.95 H new ATOM 0 HD13 LEU A 185 32.698 28.081 34.781 1.00 66.95 H new ATOM 0 HD21 LEU A 185 30.143 28.794 36.124 1.00 66.66 H new ATOM 0 HD22 LEU A 185 31.423 28.363 36.951 1.00 66.66 H new ATOM 0 HD23 LEU A 185 30.715 29.748 37.252 1.00 66.66 H new ATOM 1349 N ARG A 186 34.451 31.220 39.238 1.00 66.73 N ATOM 1350 CA ARG A 186 35.704 31.497 39.930 1.00 66.13 C ATOM 1351 C ARG A 186 36.783 30.510 39.499 1.00 65.93 C ATOM 1352 O ARG A 186 36.574 29.298 39.514 1.00 65.49 O ATOM 1353 CB ARG A 186 35.501 31.425 41.442 1.00 66.54 C ATOM 1354 CG ARG A 186 34.663 32.558 41.993 1.00 67.13 C ATOM 1355 CD ARG A 186 34.526 32.480 43.506 1.00 67.96 C ATOM 1356 NE ARG A 186 34.176 33.785 44.067 1.00 68.95 N ATOM 1357 CZ ARG A 186 33.917 34.017 45.352 1.00 69.24 C ATOM 1358 NH1 ARG A 186 33.958 33.028 46.237 1.00 69.15 N ATOM 1359 NH2 ARG A 186 33.624 35.247 45.753 1.00 68.91 N ATOM 0 H ARG A 186 33.876 30.781 39.703 1.00 66.73 H new ATOM 0 HA ARG A 186 35.992 32.393 39.694 1.00 66.13 H new ATOM 0 HB2 ARG A 186 35.078 30.581 41.664 1.00 66.54 H new ATOM 0 HB3 ARG A 186 36.367 31.431 41.878 1.00 66.54 H new ATOM 0 HG2 ARG A 186 35.066 33.406 41.749 1.00 67.13 H new ATOM 0 HG3 ARG A 186 33.782 32.535 41.587 1.00 67.13 H new ATOM 0 HD2 ARG A 186 33.845 31.830 43.740 1.00 67.96 H new ATOM 0 HD3 ARG A 186 35.359 32.170 43.894 1.00 67.96 H new ATOM 0 HE ARG A 186 34.134 34.452 43.526 1.00 68.95 H new ATOM 0 HH11 ARG A 186 34.153 32.230 45.982 1.00 69.15 H new ATOM 0 HH12 ARG A 186 33.790 33.185 47.066 1.00 69.15 H new ATOM 0 HH21 ARG A 186 33.602 35.891 45.184 1.00 68.91 H new ATOM 0 HH22 ARG A 186 33.456 35.400 46.582 1.00 68.91 H new ATOM 1360 N SER A 187 37.937 31.043 39.116 1.00 65.29 N ATOM 1361 CA SER A 187 39.056 30.228 38.664 1.00 65.38 C ATOM 1362 C SER A 187 39.885 29.649 39.813 1.00 64.98 C ATOM 1363 O SER A 187 40.145 30.329 40.806 1.00 64.98 O ATOM 1364 CB SER A 187 39.960 31.064 37.751 1.00 65.27 C ATOM 1365 OG SER A 187 41.122 30.344 37.373 1.00 66.15 O ATOM 0 H SER A 187 38.093 31.889 39.111 1.00 65.29 H new ATOM 0 HA SER A 187 38.680 29.475 38.182 1.00 65.38 H new ATOM 0 HB2 SER A 187 39.467 31.326 36.957 1.00 65.27 H new ATOM 0 HB3 SER A 187 40.217 31.880 38.207 1.00 65.27 H new ATOM 0 HG SER A 187 41.598 30.823 36.873 1.00 66.15 H new ATOM 1366 N CYS A 188 40.297 28.389 39.669 1.00 64.12 N ATOM 1367 CA CYS A 188 41.120 27.731 40.680 1.00 63.87 C ATOM 1368 C CYS A 188 42.579 28.040 40.383 1.00 65.07 C ATOM 1369 O CYS A 188 43.482 27.374 40.892 1.00 65.30 O ATOM 1370 CB CYS A 188 40.904 26.210 40.663 1.00 61.36 C ATOM 1371 SG CYS A 188 39.391 25.645 41.513 1.00 59.55 S ATOM 0 H CYS A 188 40.109 27.897 38.989 1.00 64.12 H new ATOM 0 HA CYS A 188 40.871 28.059 41.558 1.00 63.87 H new ATOM 0 HB2 CYS A 188 40.873 25.910 39.741 1.00 61.36 H new ATOM 0 HB3 CYS A 188 41.671 25.782 41.075 1.00 61.36 H new ATOM 1372 N ASP A 189 42.803 29.056 39.552 1.00 66.29 N ATOM 1373 CA ASP A 189 44.155 29.463 39.182 1.00 67.44 C ATOM 1374 C ASP A 189 44.768 30.319 40.285 1.00 68.00 C ATOM 1375 O ASP A 189 45.762 29.863 40.894 1.00 68.44 O ATOM 1376 CB ASP A 189 44.129 30.240 37.862 1.00 67.68 C ATOM 1377 OXT ASP A 189 44.243 31.428 40.533 1.00 68.51 O ATOM 0 H ASP A 189 42.180 29.525 39.190 1.00 66.29 H new ATOM 0 HA ASP A 189 44.699 28.669 39.066 1.00 67.44 H new TER 1378 ASP A 189 HETATM 1379 CA CA A 401 31.540 19.317 51.127 1.00 28.63 CA HETATM 1380 C1 ESM A 301 20.554 9.013 33.405 1.00 21.25 C HETATM 1381 C10 ESM A 301 20.921 10.367 33.441 1.00 21.49 C HETATM 1382 C11 ESM A 301 23.146 9.871 32.325 1.00 20.09 C HETATM 1383 C12 ESM A 301 24.587 10.325 32.146 1.00 22.13 C HETATM 1384 C13 ESM A 301 24.700 11.787 31.669 1.00 21.25 C HETATM 1385 C14 ESM A 301 23.939 12.661 32.661 1.00 20.44 C HETATM 1386 C15 ESM A 301 24.318 14.097 32.230 1.00 20.97 C HETATM 1387 C16 ESM A 301 25.749 13.928 31.697 1.00 23.57 C HETATM 1388 C17 ESM A 301 26.063 12.440 31.788 1.00 22.74 C HETATM 1389 C18 ESM A 301 24.142 11.894 30.219 1.00 22.33 C HETATM 1390 C2 ESM A 301 19.263 8.596 33.551 1.00 22.70 C HETATM 1391 C3 ESM A 301 18.256 9.521 33.739 1.00 19.63 C HETATM 1392 C4 ESM A 301 18.592 10.868 33.795 1.00 20.43 C HETATM 1393 C5 ESM A 301 19.894 11.304 33.654 1.00 19.05 C HETATM 1394 C6 ESM A 301 20.163 12.810 33.727 1.00 20.11 C HETATM 1395 C7 ESM A 301 21.649 13.186 33.701 1.00 19.40 C HETATM 1396 C8 ESM A 301 22.446 12.286 32.754 1.00 21.76 C HETATM 1397 C9 ESM A 301 22.365 10.799 33.261 1.00 20.44 C HETATM 1398 O17 ESM A 301 26.981 12.083 30.720 1.00 24.50 O HETATM 1399 O3 ESM A 301 16.971 9.085 33.863 1.00 21.86 O HETATM 1400 O2 ESM A 301 18.804 7.276 33.529 1.00 25.11 O HETATM 1401 C19 ESM A 301 19.789 6.270 33.355 1.00 24.83 C HETATM 0 HC72 ESM A 301 21.744 14.111 33.425 1.00 19.40 H new HETATM 0 HC71 ESM A 301 22.016 13.118 34.597 1.00 19.40 H new HETATM 0 HC62 ESM A 301 19.717 13.244 32.983 1.00 20.11 H new HETATM 0 HC61 ESM A 301 19.765 13.160 34.540 1.00 20.11 H new HETATM 0 H193 ESM A 301 20.246 6.407 32.510 1.00 24.83 H new HETATM 0 H192 ESM A 301 20.431 6.316 34.081 1.00 24.83 H new HETATM 0 H191 ESM A 301 19.365 5.398 33.355 1.00 24.83 H new HETATM 0 H183 ESM A 301 24.656 11.318 29.631 1.00 22.33 H new HETATM 0 H182 ESM A 301 23.212 11.618 30.209 1.00 22.33 H new HETATM 0 H181 ESM A 301 24.210 12.812 29.913 1.00 22.33 H new HETATM 0 H17O ESM A 301 27.377 12.772 30.449 1.00 24.50 H new HETATM 0 H17C ESM A 301 26.505 12.159 32.604 1.00 22.74 H new HETATM 0 H162 ESM A 301 25.817 14.241 30.781 1.00 23.57 H new HETATM 0 H161 ESM A 301 26.378 14.448 32.222 1.00 23.57 H new HETATM 0 H152 ESM A 301 23.718 14.438 31.548 1.00 20.97 H new HETATM 0 H151 ESM A 301 24.283 14.717 32.975 1.00 20.97 H new HETATM 0 H14C ESM A 301 24.179 12.540 33.593 1.00 20.44 H new HETATM 0 H122 ESM A 301 25.059 10.227 32.988 1.00 22.13 H new HETATM 0 H121 ESM A 301 25.027 9.745 31.505 1.00 22.13 H new HETATM 0 H112 ESM A 301 22.707 9.841 31.460 1.00 20.09 H new HETATM 0 H111 ESM A 301 23.134 8.969 32.681 1.00 20.09 H new HETATM 0 HC9 ESM A 301 22.783 10.740 34.134 1.00 20.44 H new HETATM 0 HC8 ESM A 301 22.051 12.400 31.875 1.00 21.76 H new HETATM 0 HC4 ESM A 301 17.890 11.522 33.938 1.00 20.43 H new HETATM 0 HC1 ESM A 301 21.246 8.347 33.271 1.00 21.25 H new HETATM 1402 C1 IPA A 501 39.929 6.944 29.396 1.00 55.21 C HETATM 1403 C2 IPA A 501 39.372 5.671 29.748 1.00 55.69 C HETATM 1404 C3 IPA A 501 38.276 5.829 30.745 1.00 55.15 C HETATM 1405 O2 IPA A 501 38.925 5.054 28.527 1.00 56.87 O HETATM 0 HO2 IPA A 501 38.593 4.302 28.698 1.00 56.87 H new HETATM 0 H33 IPA A 501 38.625 6.249 31.546 1.00 55.15 H new HETATM 0 H32 IPA A 501 37.574 6.384 30.370 1.00 55.15 H new HETATM 0 H31 IPA A 501 37.914 4.957 30.969 1.00 55.15 H new HETATM 0 H2 IPA A 501 40.032 5.103 30.175 1.00 55.69 H new HETATM 0 H13 IPA A 501 39.237 7.505 29.013 1.00 55.21 H new HETATM 0 H12 IPA A 501 40.288 7.371 30.190 1.00 55.21 H new HETATM 0 H11 IPA A 501 40.639 6.818 28.747 1.00 55.21 H new HETATM 1406 O HOH A 502 17.347 0.882 45.118 1.00 22.19 O HETATM 1407 O HOH A 503 15.341 0.404 40.909 1.00 20.08 O HETATM 1408 O HOH A 504 19.774 1.969 46.204 1.00 25.03 O HETATM 1409 O HOH A 505 31.920 18.379 53.437 1.00 27.60 O HETATM 1410 O HOH A 506 30.596 11.972 53.804 1.00 26.58 O HETATM 1411 O HOH A 507 29.353 19.021 52.040 1.00 34.23 O HETATM 1412 O HOH A 508 16.014 -1.335 37.054 1.00 28.77 O HETATM 1413 O HOH A 509 13.334 3.027 46.065 1.00 29.99 O HETATM 1414 O HOH A 510 13.447 7.207 44.850 1.00 24.05 O HETATM 1415 O HOH A 511 30.181 6.904 48.225 1.00 27.15 O HETATM 1416 O HOH A 512 31.433 -2.532 36.224 1.00 33.75 O HETATM 1417 O HOH A 513 22.580 -4.363 31.028 1.00 35.43 O HETATM 1418 O HOH A 514 34.911 5.796 52.083 1.00 30.85 O HETATM 1419 O HOH A 515 27.692 6.324 48.965 1.00 30.70 O HETATM 1420 O HOH A 516 28.723 14.604 56.225 1.00 35.18 O HETATM 1421 O HOH A 517 28.921 9.590 54.999 1.00 32.37 O HETATM 1422 O HOH A 518 40.383 4.756 48.336 1.00 31.43 O HETATM 1423 O HOH A 519 41.460 10.460 50.515 1.00 31.64 O HETATM 1424 O HOH A 520 13.105 1.115 44.151 1.00 34.97 O HETATM 1425 O HOH A 521 39.758 -1.798 36.744 1.00 37.19 O HETATM 1426 O HOH A 522 18.340 11.198 55.721 1.00 41.59 O HETATM 1427 O HOH A 523 24.565 3.125 23.986 1.00 33.87 O HETATM 1428 O HOH A 524 38.410 7.982 33.592 1.00 32.55 O HETATM 1429 O HOH A 525 25.122 15.010 55.181 1.00 33.00 O HETATM 1430 O HOH A 526 40.007 4.202 39.609 1.00 34.82 O HETATM 1431 O HOH A 527 25.867 23.015 50.884 1.00 33.68 O HETATM 1432 O HOH A 528 26.819 11.466 54.589 1.00 37.75 O HETATM 1433 O HOH A 529 20.607 26.427 31.115 1.00 38.68 O HETATM 1434 O HOH A 530 22.417 22.406 45.765 1.00 37.14 O HETATM 1435 O HOH A 531 31.959 21.359 52.047 1.00 31.58 O HETATM 1436 O HOH A 532 33.786 1.940 46.658 1.00 30.89 O HETATM 1437 O HOH A 533 29.565 22.999 45.163 1.00 36.84 O HETATM 1438 O HOH A 534 39.091 20.863 48.907 1.00 36.97 O HETATM 1439 O HOH A 535 41.220 15.089 44.721 1.00 32.47 O HETATM 1440 O HOH A 536 29.207 18.949 56.505 1.00 45.78 O HETATM 1441 O HOH A 537 40.791 4.689 51.059 1.00 40.70 O HETATM 1442 O HOH A 538 32.207 12.705 56.594 1.00 50.61 O HETATM 1443 O HOH A 539 21.179 11.784 54.663 1.00 39.24 O HETATM 1444 O HOH A 540 12.836 27.008 36.359 1.00 48.99 O HETATM 1445 O HOH A 541 42.790 8.737 49.933 1.00 40.65 O HETATM 1446 O HOH A 542 34.094 0.838 42.608 1.00 33.71 O HETATM 1447 O HOH A 543 42.224 13.170 52.276 1.00 47.75 O HETATM 1448 O HOH A 544 34.607 11.151 55.553 1.00 48.49 O HETATM 1449 O HOH A 545 31.212 24.534 32.190 1.00 51.73 O HETATM 1450 O HOH A 546 31.646 5.004 54.502 1.00 43.62 O HETATM 1451 O HOH A 547 28.653 20.546 25.639 1.00 39.79 O HETATM 1452 O HOH A 548 17.623 20.524 51.971 1.00 48.11 O HETATM 1453 O HOH A 549 37.863 -1.008 39.175 1.00 46.53 O HETATM 1454 O HOH A 550 21.204 17.961 53.148 1.00 37.48 O HETATM 1455 O HOH A 551 31.739 -4.391 32.642 1.00 40.26 O HETATM 1456 O HOH A 552 14.233 22.277 39.218 1.00 44.29 O HETATM 1457 O HOH A 553 40.984 1.763 42.833 1.00 44.80 O HETATM 1458 O HOH A 554 22.826 5.894 24.307 1.00 48.66 O HETATM 1459 O HOH A 555 29.690 21.304 56.065 1.00 44.59 O HETATM 1460 O HOH A 556 11.119 0.816 38.708 1.00 48.60 O HETATM 1461 O HOH A 557 21.795 4.030 25.486 1.00 47.38 O HETATM 1462 O HOH A 558 11.672 5.199 45.344 1.00 36.37 O HETATM 1463 O HOH A 559 47.263 15.655 40.541 1.00 39.64 O HETATM 1464 O HOH A 560 16.701 28.909 43.544 1.00 46.58 O HETATM 1465 O HOH A 561 11.278 20.370 30.313 1.00 49.42 O HETATM 1466 O HOH A 562 10.197 4.295 43.517 1.00 51.70 O HETATM 1467 O HOH A 563 25.137 6.021 24.111 1.00 46.67 O HETATM 1468 O HOH A 564 17.623 7.188 25.025 1.00 50.69 O HETATM 1469 O HOH A 565 31.109 14.856 25.749 1.00 43.59 O HETATM 1470 O HOH A 566 44.507 11.062 51.116 1.00 55.72 O HETATM 1471 O HOH A 567 39.022 14.431 52.835 1.00 43.22 O HETATM 1472 O HOH A 568 22.821 15.675 54.755 1.00 34.88 O HETATM 1473 O HOH A 569 29.102 17.583 54.654 1.00 47.99 O HETATM 1474 O HOH A 570 33.287 28.892 39.726 1.00 42.29 O HETATM 1475 O HOH A 571 19.910 22.429 46.987 1.00 51.73 O HETATM 1476 O HOH A 572 9.008 11.442 42.055 1.00 57.50 O HETATM 1477 O HOH A 573 44.228 0.528 43.154 1.00 48.61 O HETATM 1478 O HOH A 574 34.628 8.717 54.752 1.00 46.04 O HETATM 1479 O HOH A 575 36.909 0.918 42.680 1.00 44.98 O HETATM 1480 O HOH A 576 12.735 26.428 38.644 1.00 42.45 O HETATM 1481 O HOH A 577 41.254 14.672 31.120 1.00 51.30 O HETATM 1482 O HOH A 578 28.559 6.695 54.918 1.00 46.98 O HETATM 1483 O HOH A 579 46.659 25.876 32.493 1.00 50.17 O HETATM 1484 O HOH A 580 20.831 -5.398 28.915 1.00 46.00 O HETATM 1485 O HOH A 581 46.986 24.437 42.178 1.00 52.97 O HETATM 1486 O HOH A 582 21.351 23.347 50.087 1.00 52.92 O HETATM 1487 O HOH A 583 38.678 12.814 55.405 1.00 45.74 O HETATM 1488 O HOH A 584 24.015 26.820 23.372 1.00 42.97 O HETATM 1489 O HOH A 585 14.466 24.549 39.581 1.00 56.34 O HETATM 1490 O HOH A 586 30.772 20.340 26.631 1.00 41.12 O HETATM 1491 O HOH A 587 7.175 10.897 30.719 1.00 51.93 O HETATM 1492 O HOH A 588 27.638 31.172 42.746 1.00 57.63 O HETATM 1493 O HOH A 589 24.041 -1.851 28.606 1.00 47.42 O HETATM 1494 O HOH A 590 42.233 7.438 44.833 1.00 65.20 O HETATM 1495 O HOH A 591 38.182 -0.687 33.058 1.00 46.30 O HETATM 1496 O HOH A 592 19.063 10.398 30.288 1.00 59.33 O HETATM 1497 O HOH A 593 38.465 17.985 54.121 1.00 51.92 O HETATM 1498 O HOH A 594 41.930 6.143 40.754 1.00 45.94 O HETATM 1499 O HOH A 595 45.246 12.679 36.808 1.00 55.26 O HETATM 1500 O HOH A 596 14.395 19.277 33.229 1.00 37.29 O HETATM 1501 O HOH A 597 24.527 17.396 18.047 1.00 57.56 O HETATM 1502 O HOH A 598 40.242 22.887 31.397 1.00 54.93 O CONECT 291 1379 CONECT 292 1379 CONECT 303 1379 CONECT 1157 1379 CONECT 1184 1371 CONECT 1371 1184 CONECT 1379 291 292 303 1157 CONECT 1379 1409 1411 1435 CONECT 1380 1381 1390 CONECT 1381 1380 1393 1397 CONECT 1382 1383 1397 CONECT 1383 1382 1384 CONECT 1384 1383 1385 1388 1389 CONECT 1385 1384 1386 1396 CONECT 1386 1385 1387 CONECT 1387 1386 1388 CONECT 1388 1384 1387 1398 CONECT 1389 1384 CONECT 1390 1380 1391 1400 CONECT 1391 1390 1392 1399 CONECT 1392 1391 1393 CONECT 1393 1381 1392 1394 CONECT 1394 1393 1395 CONECT 1395 1394 1396 CONECT 1396 1385 1395 1397 CONECT 1397 1381 1382 1396 CONECT 1398 1388 CONECT 1399 1391 CONECT 1400 1390 1401 CONECT 1401 1400 CONECT 1402 1403 CONECT 1403 1402 1404 1405 CONECT 1404 1403 CONECT 1405 1403 CONECT 1409 1379 CONECT 1411 1379 CONECT 1435 1379 END