USER MOD reduce.3.24.130724 H: found=0, std=0, add=1973, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 12-MAY-09 3HFT TITLE CRYSTAL STRUCTURE OF A PUTATIVE POLYSACCHARIDE DEACETYLASE INVOLVED IN TITLE 2 O-ANTIGEN BIOSYNTHESIS (WBMS, BB0128) FROM BORDETELLA BRONCHISEPTICA TITLE 3 AT 1.90 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: WBMS, POLYSACCHARIDE DEACETYLASE INVOLVED IN O-ANTIGEN COMPND 3 BIOSYNTHESIS; COMPND 4 CHAIN: A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; SOURCE 3 ORGANISM_COMMON: ALCALIGENES BRONCHISEPTICUS; SOURCE 4 ORGANISM_TAXID: 518; SOURCE 5 GENE: BB0128, NP_886680.1, WBMS; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET KEYWDS STRUCTURAL GENOMICS, JOINT CENTER FOR STRUCTURAL GENOMICS, JCSG, KEYWDS 2 PROTEIN STRUCTURE INITIATIVE, PSI-2, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS,JOINT CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (JCSG) REVDAT 3 13-JUL-11 3HFT 1 VERSN REVDAT 2 23-MAR-11 3HFT 1 HEADER TITLE KEYWDS REVDAT 1 23-JUN-09 3HFT 0 JRNL AUTH JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) JRNL TITL CRYSTAL STRUCTURE OF WBMS, POLYSACCHARIDE DEACETYLASE JRNL TITL 2 INVOLVED IN O-ANTIGEN BIOSYNTHESIS (NP_886680.1) FROM JRNL TITL 3 BORDETELLA BRONCHISEPTICA AT 1.90 A RESOLUTION JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.90 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD WITH PHASES REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.57 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 32639 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.163 REMARK 3 R VALUE (WORKING SET) : 0.162 REMARK 3 FREE R VALUE : 0.184 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1654 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.90 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.95 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2237 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.2160 REMARK 3 BIN FREE R VALUE SET COUNT : 117 REMARK 3 BIN FREE R VALUE : 0.2740 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1971 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 33 REMARK 3 SOLVENT ATOMS : 156 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : 29.57 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 38.39 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.60000 REMARK 3 B22 (A**2) : 0.60000 REMARK 3 B33 (A**2) : -1.20000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.099 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.095 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.069 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 4.639 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.969 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.961 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2117 ; 0.018 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): 1413 ; 0.002 ; 0.020 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2894 ; 1.437 ; 1.932 REMARK 3 BOND ANGLES OTHERS (DEGREES): 3398 ; 0.918 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 255 ; 4.564 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 108 ;30.329 ;23.056 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 317 ;12.131 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 18 ;14.965 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 308 ; 0.092 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2402 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 474 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 464 ; 0.215 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): 1588 ; 0.213 ; 0.300 REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1060 ; 0.188 ; 0.500 REMARK 3 NON-BONDED TORSION OTHERS (A): 1047 ; 0.091 ; 0.500 REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 263 ; 0.172 ; 0.500 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 10 ; 0.266 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): 33 ; 0.296 ; 0.300 REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 17 ; 0.217 ; 0.500 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1296 ; 1.791 ; 3.000 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 497 ; 0.455 ; 3.000 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2041 ; 2.584 ; 5.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 969 ; 4.458 ; 8.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 853 ; 5.929 ;11.000 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 1 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 15 A 256 REMARK 3 ORIGIN FOR THE GROUP (A): 5.5020 1.3550 15.4130 REMARK 3 T TENSOR REMARK 3 T11: -0.0764 T22: -0.0751 REMARK 3 T33: -0.0838 T12: 0.0382 REMARK 3 T13: 0.0198 T23: 0.0459 REMARK 3 L TENSOR REMARK 3 L11: 1.1136 L22: 1.8193 REMARK 3 L33: 2.0699 L12: -0.4288 REMARK 3 L13: 0.7310 L23: -1.1990 REMARK 3 S TENSOR REMARK 3 S11: -0.0128 S12: -0.2073 S13: -0.1344 REMARK 3 S21: 0.2659 S22: 0.2332 S23: 0.1583 REMARK 3 S31: -0.1494 S32: -0.2808 S33: -0.2204 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1.HYDROGENS HAVE BEEN ADDED IN THE REMARK 3 RIDING POSITIONS. 2.ATOM RECORD CONTAINS RESIDUAL B FUNLORS ONLY. REMARK 3 3.A MET-INHIBITION PROTOCOL WAS USED FOR SELENOMETHIONINE REMARK 3 INCORPORATION DURING PROTEIN EXPRESSION. THE OCCUPANCY OF THE SE REMARK 3 ATOMS IN THE MSE RESIDUES WAS REDUCED TO 0.75 TO ACCOUNT FOR THE REMARK 3 REDUCED SCATTERING POWER DUE TO PARTIAL S-MET INCORPORATION. 4.A REMARK 3 ZINC ION WITH 40% OCCUPANCY IS MODELED. THE PRESENCE OF ZINC AT REMARK 3 THIS SITE IS SUPPORTED BY X-RAY FLUORESCENCE, BINDING GEOMETRY REMARK 3 AND ANOMALOUS DIFFERENCE FOURIERS ABOVE AND BELOW THE ZINC REMARK 3 ABSORPTION EDGE. THE OCCUPANCY WAS LOWERED TO 40% TO BETTER FIT REMARK 3 THE OBSERVED DENSITY. 5.MPD AND ETHYLENE GLYCOL MOLECULES FROM REMARK 3 AND CRYSTALLIZATION ARE MODELED IN THE STRUCTURE. AN ACETATE-LIKE REMARK 3 UNKNOWN LIGAND(UNL) IS MODELED NEAR THE METAL BINDING SITE REMARK 3 ACCORDING TO THE POSSIBLE BIOLOGICAL FUNCTION OF THIS PROTEIN, A REMARK 3 METAL-ION DEPENDENT DEACETYLASE. REMARK 4 REMARK 4 3HFT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-MAY-09. REMARK 100 THE RCSB ID CODE IS RCSB053080. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-DEC-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL9-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.91162,0.97985,0.97968 REMARK 200 MONOCHROMATOR : DOUBLE CRYSTAL MONOCHROMATOR REMARK 200 OPTICS : FLAT COLLIMATING MIRROR, TOROID REMARK 200 FOCUSING MIRROR REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 32707 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 REMARK 200 RESOLUTION RANGE LOW (A) : 29.566 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 7.200 REMARK 200 R MERGE (I) : 0.08500 REMARK 200 R SYM (I) : 0.08500 REMARK 200 FOR THE DATA SET : 15.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.90 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.95 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 7.30 REMARK 200 R MERGE FOR SHELL (I) : 0.90200 REMARK 200 R SYM FOR SHELL (I) : 0.90200 REMARK 200 FOR SHELL : 2.100 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHELXD, AUTOSHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 62.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.30 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20.0000% MPD, 0.1M HEPES PH 7.0, REMARK 280 NANODROP, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 71.34600 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 37.36200 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 37.36200 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 35.67300 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 37.36200 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 37.36200 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 107.01900 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 37.36200 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 37.36200 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 35.67300 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 37.36200 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 37.36200 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 107.01900 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 71.34600 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5600 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 18980 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -93.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 0.00000 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 GLY A 0 REMARK 465 MSE A 1 REMARK 465 ALA A 2 REMARK 465 GLY A 3 REMARK 465 ALA A 4 REMARK 465 ALA A 5 REMARK 465 HIS A 6 REMARK 465 ARG A 7 REMARK 465 LEU A 8 REMARK 465 MSE A 9 REMARK 465 GLU A 10 REMARK 465 ALA A 11 REMARK 465 ARG A 12 REMARK 465 MSE A 13 REMARK 465 ARG A 14 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 ARG A 15 CD NE CZ NH1 NH2 REMARK 470 ASN A 18 CG OD1 REMARK 470 GLU A 32 CG CD OE1 OE2 REMARK 470 GLN A 107 CD OE1 NE2 REMARK 470 ARG A 142 CZ NH1 NH2 REMARK 470 ARG A 144 CG CD NE CZ NH1 NH2 REMARK 470 ASP A 168 CG OD1 OD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 MSE A 213 SE MSE A 213 CE -0.513 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 ALA A 117 70.56 -150.33 REMARK 500 ASP A 168 25.95 48.17 REMARK 500 SER A 241 -159.41 -86.60 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 418 DISTANCE = 5.09 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 ZN A 257 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 45 OD1 REMARK 620 2 HIS A 91 NE2 85.7 REMARK 620 3 HIS A 126 ND1 107.7 96.5 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 257 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UNL A 258 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 259 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 260 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 261 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 262 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 263 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MPD A 264 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 392657 RELATED DB: TARGETDB REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE CONSTRUCT WAS EXPRESSED WITH A PURIFICATION TAG REMARK 999 MGSDKIHHHHHHENLYFQG. THE TAG WAS REMOVED WITH TEV PROTEASE LEAVING REMARK 999 ONLY A GLYCINE (0) FOLLOWED BY THE TARGET SEQUENCE. DBREF 3HFT A 1 256 UNP Q7WR29 Q7WR29_BORBR 1 256 SEQADV 3HFT GLY A 0 UNP Q7WR29 LEADER SEQUENCE SEQRES 1 A 257 GLY MSE ALA GLY ALA ALA HIS ARG LEU MSE GLU ALA ARG SEQRES 2 A 257 MSE ARG ARG TYR ASP ASN LYS PHE ALA ARG ILE SER ASP SEQRES 3 A 257 ILE ASP ILE ASN GLN PRO GLU SER TRP ARG GLY ARG ILE SEQRES 4 A 257 PHE LEU THR PHE ASP ILE ASP TRP ALA ALA ASP PHE VAL SEQRES 5 A 257 LEU GLN ASP THR ILE ASP LEU ILE GLU GLY ALA GLY VAL SEQRES 6 A 257 CYS ALA THR TRP PHE ALA THR HIS SER THR PRO LEU LEU SEQRES 7 A 257 GLU ASN ILE ARG ARG ASN PRO LEU PHE GLU LEU GLY VAL SEQRES 8 A 257 HIS PRO ASN PHE ASN PRO LEU LEU ALA GLY ALA HIS ALA SEQRES 9 A 257 GLU GLY VAL GLN GLU ILE LEU ASP ARG THR LEU GLU LEU SEQRES 10 A 257 ALA PRO GLY CYS VAL SER VAL ARG SER HIS SER LEU VAL SEQRES 11 A 257 GLN ALA THR SER ILE LEU ASN MSE PHE GLY GLU ARG ARG SEQRES 12 A 257 LEU ARG TYR ASP CYS ASN ILE LEU VAL PRO TRP ASP ALA SEQRES 13 A 257 GLY ILE VAL LEU GLN PRO TRP ARG HIS TRP THR GLY ASP SEQRES 14 A 257 MSE VAL ARG VAL PRO TYR LEU TRP GLU ASP ASP VAL ALA SEQRES 15 A 257 CYS LEU TYR ASP TRP GLU PHE ASP SER THR PHE ASP TYR SEQRES 16 A 257 TRP TYR GLN PRO ASP GLY ILE ASN VAL LEU ASP PHE HIS SEQRES 17 A 257 PRO ILE HIS VAL TYR MSE ASN THR GLU SER LEU ARG ARG SEQRES 18 A 257 TYR GLU ASP SER ARG GLU VAL HIS ARG ASN PRO VAL ASP SEQRES 19 A 257 LEU ILE ARG TRP ARG ASN THR SER ALA GLY SER ARG THR SEQRES 20 A 257 PHE LEU GLN SER LEU LEU ALA ARG ASN ILE MODRES 3HFT MSE A 137 MET SELENOMETHIONINE MODRES 3HFT MSE A 169 MET SELENOMETHIONINE MODRES 3HFT MSE A 213 MET SELENOMETHIONINE HET MSE A 137 16 HET MSE A 169 16 HET MSE A 213 8 HET ZN A 257 1 HET UNL A 258 4 HET EDO A 259 4 HET EDO A 260 4 HET EDO A 261 4 HET EDO A 262 4 HET EDO A 263 4 HET MPD A 264 8 HETNAM MSE SELENOMETHIONINE HETNAM ZN ZINC ION HETNAM UNL UNKNOWN LIGAND HETNAM EDO 1,2-ETHANEDIOL HETNAM MPD (4S)-2-METHYL-2,4-PENTANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 1 MSE 3(C5 H11 N O2 SE) FORMUL 2 ZN ZN 2+ FORMUL 4 EDO 5(C2 H6 O2) FORMUL 9 MPD C6 H14 O2 FORMUL 10 HOH *156(H2 O) HELIX 1 1 ARG A 22 ILE A 26 5 5 HELIX 2 2 GLN A 30 TRP A 34 5 5 HELIX 3 3 ALA A 48 GLY A 63 1 16 HELIX 4 4 PRO A 75 ASN A 83 1 9 HELIX 5 5 PHE A 94 GLY A 100 1 7 HELIX 6 6 GLY A 105 GLU A 115 1 11 HELIX 7 7 SER A 125 VAL A 129 5 5 HELIX 8 8 ALA A 131 ARG A 141 1 11 HELIX 9 9 ASP A 178 ASP A 185 1 8 HELIX 10 10 HIS A 207 ASN A 214 1 8 HELIX 11 11 SER A 217 SER A 224 1 8 HELIX 12 12 ARG A 225 HIS A 228 5 4 HELIX 13 13 ASP A 233 ARG A 238 5 6 HELIX 14 14 GLY A 243 ILE A 256 1 14 SHEET 1 A 5 PHE A 86 VAL A 90 0 SHEET 2 A 5 ALA A 66 ALA A 70 1 N TRP A 68 O GLY A 89 SHEET 3 A 5 ILE A 38 ASP A 43 1 N PHE A 42 O PHE A 69 SHEET 4 A 5 ASN A 202 PHE A 206 1 O ASN A 202 N PHE A 39 SHEET 5 A 5 TRP A 176 GLU A 177 1 N TRP A 176 O ASP A 205 SHEET 1 B 4 SER A 122 VAL A 123 0 SHEET 2 B 4 TYR A 145 ASP A 146 1 O TYR A 145 N VAL A 123 SHEET 3 B 4 VAL A 170 ARG A 171 1 O VAL A 170 N ASP A 146 SHEET 4 B 4 TRP A 162 ARG A 163 -1 N TRP A 162 O ARG A 171 LINK C ASN A 136 N AMSE A 137 1555 1555 1.33 LINK C ASN A 136 N BMSE A 137 1555 1555 1.33 LINK C AMSE A 137 N PHE A 138 1555 1555 1.34 LINK C BMSE A 137 N PHE A 138 1555 1555 1.34 LINK C ASP A 168 N AMSE A 169 1555 1555 1.33 LINK C ASP A 168 N BMSE A 169 1555 1555 1.33 LINK C AMSE A 169 N VAL A 170 1555 1555 1.33 LINK C BMSE A 169 N VAL A 170 1555 1555 1.33 LINK C TYR A 212 N MSE A 213 1555 1555 1.32 LINK C MSE A 213 N ASN A 214 1555 1555 1.33 LINK OD1 ASP A 45 ZN ZN A 257 1555 1555 2.25 LINK NE2 HIS A 91 ZN ZN A 257 1555 1555 2.26 LINK ND1 HIS A 126 ZN ZN A 257 1555 1555 2.35 SITE *** AC1 4 ASP A 45 HIS A 91 HIS A 126 EDO A 261 SITE *** AC2 5 SER A 127 THR A 132 GLU A 177 EDO A 261 SITE *** AC2 5 HOH A 360 SITE *** AC3 5 ASP A 45 ASP A 179 HIS A 210 HOH A 317 SITE *** AC3 5 HOH A 375 SITE *** AC4 7 ILE A 157 GLN A 197 ARG A 236 HOH A 279 SITE *** AC4 7 HOH A 281 HOH A 301 HOH A 408 SITE *** AC5 10 ASP A 43 ASP A 45 HIS A 91 HIS A 126 SITE *** AC5 10 SER A 127 GLU A 177 ASP A 205 HIS A 207 SITE *** AC5 10 ZN A 257 UNL A 258 SITE *** AC6 6 ASP A 154 ARG A 163 TYR A 184 TRP A 186 SITE *** AC6 6 HOH A 284 HOH A 370 SITE *** AC7 6 ASP A 17 ASN A 18 LYS A 19 PHE A 20 SITE *** AC7 6 ASN A 255 HOH A 298 SITE *** AC8 8 ASP A 193 TYR A 194 TYR A 196 PRO A 198 SITE *** AC8 8 VAL A 227 ASP A 233 ARG A 236 TRP A 237 CRYST1 74.724 74.724 142.692 90.00 90.00 90.00 P 41 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013383 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013383 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007008 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 91 HIS HE2 : A 91 HIS NE2 : A 257 ZNZN :(H bumps) USER MOD NoAdj-H: A 126 HIS HD1 : A 126 HIS ND1 : A 257 ZNZN :(H bumps) USER MOD Set 1.1: A 207 HIS : +bothHN:sc= 2.32 K(o=4.6,f=-11!) USER MOD Set 1.2: A 261 EDO O2 : rot -87:sc= 2.24 USER MOD Set 2.1: A 210 HIS : no HD1:sc= 2.11 K(o=5.1,f=-9.6!) USER MOD Set 2.2: A 215 THR OG1 : rot 168:sc= 1.3 USER MOD Set 2.3: A 259 EDO O1 : rot -83:sc= 1.65 USER MOD Set 3.1: A 239 ASN : amide:sc= 2 K(o=3.2,f=-1.2!) USER MOD Set 3.2: A 241 SER OG A: rot -73:sc= 1.21 USER MOD Set 4.1: A 224 SER OG : rot -84:sc= 0.223 USER MOD Set 4.2: A 228 HIS : no HD1:sc= -0.459 K(o=-0.24,f=-7.3!) USER MOD Set 5.1: A 197 GLN : amide:sc= 1.29 K(o=2.3,f=-5.2!) USER MOD Set 5.2: A 260 EDO O2 : rot -28:sc= 1.03 USER MOD Set 6.1: A 125 SER OG : rot 172:sc= 0.622 USER MOD Set 6.2: A 148 ASN : amide:sc= 1.77 K(o=2.4,f=-5.4!) USER MOD Set 7.1: A 136 ASN : amide:sc= 1.19 K(o=3.4,f=-0.39) USER MOD Set 7.2: A 164 HIS : no HD1:sc= 2 K(o=3.4,f=-4.1!) USER MOD Set 7.3: A 166 THR OG1 : rot -170:sc= 0.167 USER MOD Set 8.1: A 95 ASN : amide:sc= 0.314 K(o=0.69,f=-1.1!) USER MOD Set 8.2: A 127 SER OG : rot -130:sc= 0.375 USER MOD Set 9.1: A 53 GLN : amide:sc= 0.293 K(o=0.15,f=-1.4) USER MOD Set 9.2: A 79 ASN : amide:sc= -0.143 K(o=0.15,f=-2.4!) USER MOD Set10.1: A 71 THR OG1 : rot 80:sc= 1.82 USER MOD Set10.2: A 72 HIS : no HD1:sc=-0.00861 K(o=1.8,f=-6.6!) USER MOD Set11.1: A 16 TYR OH : rot 165:sc= 0.275 USER MOD Set11.2: A 19 LYS NZ :NH3+ -147:sc= 0.99 (180deg=-0.0899) USER MOD Single : A 24 SER OG : rot -79:sc= 1.07 USER MOD Single : A 29 ASN : amide:sc= 1.06 K(o=1.1,f=-4.3!) USER MOD Single : A 30 GLN : amide:sc= -0.0073 K(o=-0.0073,f=-0.88) USER MOD Single : A 33 SER OG : rot -76:sc= 1.54 USER MOD Single : A 41 THR OG1 : rot -59:sc= 1.59 USER MOD Single : A 55 THR OG1 : rot 100:sc= -0.347 USER MOD Single : A 65 CYS SG : rot -57:sc= 0.74 USER MOD Single : A 67 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 134:sc= 1 USER MOD Single : A 83 ASN : amide:sc= 0.29 K(o=0.29,f=-7.6!) USER MOD Single : A 93 ASN : amide:sc= -0.142 K(o=-0.14,f=-3.7!) USER MOD Single : A 102 HIS A: no HD1:sc= 0.108 K(o=0.11,f=-4.9!) USER MOD Single : A 102 HIS B: no HE2:sc= -2.58! C(o=-2.6!,f=-9.1!) USER MOD Single : A 113 THR OG1 : rot 83:sc= 2.06 USER MOD Single : A 120 CYS SG : rot 150:sc= 0 USER MOD Single : A 122 SER OG : rot 104:sc= 1.36 USER MOD Single : A 130 GLN : amide:sc= 1.43 K(o=1.4,f=-0.8) USER MOD Single : A 132 THR OG1 : rot -106:sc= 1.02 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot -23:sc= 0.998 USER MOD Single : A 147 CYS SG : rot 180:sc= 0.212 USER MOD Single : A 160 GLN A: amide:sc= 1.67 K(o=1.7,f=-4.6!) USER MOD Single : A 160 GLN B: amide:sc= 0.238 K(o=0.24,f=-0.44) USER MOD Single : A 174 TYR OH : rot 175:sc= 1.13 USER MOD Single : A 182 CYS SG : rot 68:sc= 0.00164 USER MOD Single : A 184 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 THR OG1 : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 165:sc= 1.41 USER MOD Single : A 196 TYR OH : rot 2:sc= 1.32 USER MOD Single : A 202 ASN : amide:sc= 1.42 K(o=1.4,f=-5.7!) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 214 ASN : amide:sc= -0.286 K(o=-0.29,f=-8.5!) USER MOD Single : A 217 SER OG A: rot 180:sc= 0.0995 USER MOD Single : A 217 SER OG B: rot 180:sc=-0.00485 USER MOD Single : A 221 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 ASN : amide:sc= -0.381 K(o=-0.38,f=-6.8!) USER MOD Single : A 240 THR OG1 : rot 180:sc= 0 USER MOD Single : A 241 SER OG B: rot 180:sc= 0 USER MOD Single : A 244 SER OG : rot 67:sc= 0.238 USER MOD Single : A 246 THR OG1 : rot 120:sc= 0.347 USER MOD Single : A 249 GLN : amide:sc= -0.0155 K(o=-0.016,f=-1.2) USER MOD Single : A 250 SER OG : rot 80:sc= 0.107 USER MOD Single : A 255 ASN : amide:sc= 0.943 K(o=0.94,f=-0.024) USER MOD Single : A 259 EDO O2 : rot -113:sc= 1.03 USER MOD Single : A 260 EDO O1 : rot 42:sc= 1.29 USER MOD Single : A 261 EDO O1 : rot 45:sc= 1.15 USER MOD Single : A 262 EDO O1 : rot -85:sc= 0.163 USER MOD Single : A 262 EDO O2 : rot -101:sc= 0.804 USER MOD Single : A 263 EDO O1 : rot -114:sc= 0.997 USER MOD Single : A 263 EDO O2 : rot 136:sc= 1.21 USER MOD Single : A 264 MPD O2 : rot -40:sc= 0.346 USER MOD Single : A 264 MPD O4 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 15 10.093 22.933 22.728 1.00 64.34 N ATOM 2 CA ARG A 15 11.555 22.942 23.013 1.00 63.87 C ATOM 3 C ARG A 15 12.306 21.895 22.163 1.00 64.41 C ATOM 4 O ARG A 15 11.920 20.701 22.118 1.00 62.85 O ATOM 5 CB ARG A 15 11.825 22.680 24.505 1.00 64.61 C ATOM 6 CG ARG A 15 11.409 23.817 25.448 1.00 63.22 C ATOM 0 HA ARG A 15 11.885 23.824 22.778 1.00 63.87 H new ATOM 0 HB2 ARG A 15 11.357 21.872 24.768 1.00 64.61 H new ATOM 0 HB3 ARG A 15 12.773 22.510 24.623 1.00 64.61 H new ATOM 7 N TYR A 16 13.388 22.349 21.513 1.00 62.97 N ATOM 8 CA TYR A 16 14.284 21.467 20.741 1.00 60.89 C ATOM 9 C TYR A 16 14.648 20.242 21.583 1.00 58.05 C ATOM 10 O TYR A 16 14.750 19.128 21.066 1.00 54.92 O ATOM 11 CB TYR A 16 15.577 22.198 20.304 1.00 59.65 C ATOM 12 CG TYR A 16 16.580 21.247 19.677 1.00 56.60 C ATOM 13 CD1 TYR A 16 16.529 20.951 18.320 1.00 54.18 C ATOM 14 CD2 TYR A 16 17.538 20.590 20.461 1.00 53.41 C ATOM 15 CE1 TYR A 16 17.419 20.055 17.743 1.00 56.87 C ATOM 16 CE2 TYR A 16 18.430 19.687 19.897 1.00 57.03 C ATOM 17 CZ TYR A 16 18.366 19.427 18.531 1.00 57.20 C ATOM 18 OH TYR A 16 19.240 18.540 17.957 1.00 52.94 O ATOM 0 H TYR A 16 13.624 23.176 21.507 1.00 62.97 H new ATOM 0 HA TYR A 16 13.812 21.194 19.939 1.00 60.89 H new ATOM 0 HB2 TYR A 16 15.354 22.897 19.670 1.00 59.65 H new ATOM 0 HB3 TYR A 16 15.979 22.631 21.073 1.00 59.65 H new ATOM 0 HD1 TYR A 16 15.886 21.361 17.788 1.00 54.18 H new ATOM 0 HD2 TYR A 16 17.577 20.762 21.374 1.00 53.41 H new ATOM 0 HE1 TYR A 16 17.378 19.878 16.831 1.00 56.87 H new ATOM 0 HE2 TYR A 16 19.064 19.260 20.427 1.00 57.03 H new ATOM 0 HH TYR A 16 19.875 18.390 18.486 1.00 52.94 H new ATOM 19 N ASP A 17 14.830 20.477 22.884 1.00 56.94 N ATOM 20 CA ASP A 17 15.177 19.429 23.845 1.00 56.10 C ATOM 21 C ASP A 17 14.038 18.394 24.034 1.00 55.67 C ATOM 22 O ASP A 17 14.299 17.277 24.491 1.00 54.36 O ATOM 23 CB ASP A 17 15.587 20.069 25.177 1.00 56.49 C ATOM 24 CG ASP A 17 16.638 21.173 24.998 1.00 59.64 C ATOM 25 OD1 ASP A 17 16.383 22.144 24.239 1.00 59.84 O ATOM 26 OD2 ASP A 17 17.714 21.070 25.621 1.00 62.52 O ATOM 0 H ASP A 17 14.754 21.258 23.236 1.00 56.94 H new ATOM 0 HA ASP A 17 15.929 18.931 23.488 1.00 56.10 H new ATOM 0 HB2 ASP A 17 14.802 20.440 25.609 1.00 56.49 H new ATOM 0 HB3 ASP A 17 15.939 19.384 25.767 1.00 56.49 H new ATOM 27 N ASN A 18 12.794 18.791 23.699 1.00 54.21 N ATOM 28 CA ASN A 18 11.625 17.884 23.613 1.00 50.74 C ATOM 29 C ASN A 18 11.713 17.210 22.270 1.00 43.11 C ATOM 30 O ASN A 18 10.922 17.476 21.347 1.00 40.95 O ATOM 31 CB ASN A 18 10.294 18.642 23.685 1.00 52.71 C ATOM 0 H ASN A 18 12.603 19.608 23.512 1.00 54.21 H new ATOM 0 HA ASN A 18 11.645 17.262 24.357 1.00 50.74 H new ATOM 32 N LYS A 19 12.679 16.323 22.145 1.00 42.26 N ATOM 33 CA LYS A 19 12.921 15.708 20.860 1.00 41.66 C ATOM 34 C LYS A 19 11.848 14.701 20.462 1.00 37.08 C ATOM 35 O LYS A 19 11.586 14.508 19.288 1.00 36.73 O ATOM 36 CB LYS A 19 14.290 15.038 20.860 1.00 46.68 C ATOM 37 CG LYS A 19 15.074 15.361 19.615 1.00 52.88 C ATOM 38 CD LYS A 19 16.377 14.618 19.605 1.00 60.63 C ATOM 39 CE LYS A 19 17.420 15.365 18.820 1.00 61.32 C ATOM 40 NZ LYS A 19 17.963 16.461 19.645 1.00 69.56 N ATOM 0 H LYS A 19 13.198 16.066 22.780 1.00 42.26 H new ATOM 0 HA LYS A 19 12.893 16.418 20.199 1.00 41.66 H new ATOM 0 HB2 LYS A 19 14.790 15.325 21.640 1.00 46.68 H new ATOM 0 HB3 LYS A 19 14.179 14.077 20.932 1.00 46.68 H new ATOM 0 HG2 LYS A 19 14.555 15.125 18.830 1.00 52.88 H new ATOM 0 HG3 LYS A 19 15.240 16.316 19.570 1.00 52.88 H new ATOM 0 HD2 LYS A 19 16.685 14.487 20.515 1.00 60.63 H new ATOM 0 HD3 LYS A 19 16.248 13.737 19.220 1.00 60.63 H new ATOM 0 HE2 LYS A 19 18.133 14.763 18.555 1.00 61.32 H new ATOM 0 HE3 LYS A 19 17.032 15.721 18.005 1.00 61.32 H new ATOM 0 HZ1 LYS A 19 18.176 17.149 19.122 1.00 69.56 H new ATOM 0 HZ2 LYS A 19 17.351 16.718 20.238 1.00 69.56 H new ATOM 0 HZ3 LYS A 19 18.690 16.178 20.073 1.00 69.56 H new ATOM 41 N PHE A 20 11.258 14.037 21.448 1.00 34.05 N ATOM 42 CA PHE A 20 10.335 12.937 21.224 1.00 33.47 C ATOM 43 C PHE A 20 8.900 13.445 21.210 1.00 36.76 C ATOM 44 O PHE A 20 8.482 14.214 22.099 1.00 35.86 O ATOM 45 CB PHE A 20 10.489 11.866 22.292 1.00 35.89 C ATOM 46 CG PHE A 20 11.803 11.131 22.239 1.00 34.42 C ATOM 47 CD1 PHE A 20 11.984 10.057 21.384 1.00 34.25 C ATOM 48 CD2 PHE A 20 12.863 11.507 23.052 1.00 41.35 C ATOM 49 CE1 PHE A 20 13.185 9.373 21.344 1.00 34.79 C ATOM 50 CE2 PHE A 20 14.072 10.816 23.019 1.00 36.28 C ATOM 51 CZ PHE A 20 14.236 9.743 22.166 1.00 35.33 C ATOM 0 H PHE A 20 11.386 14.217 22.279 1.00 34.05 H new ATOM 0 HA PHE A 20 10.545 12.544 20.362 1.00 33.47 H new ATOM 0 HB2 PHE A 20 10.394 12.277 23.165 1.00 35.89 H new ATOM 0 HB3 PHE A 20 9.767 11.225 22.201 1.00 35.89 H new ATOM 0 HD1 PHE A 20 11.287 9.792 20.828 1.00 34.25 H new ATOM 0 HD2 PHE A 20 12.765 12.231 23.627 1.00 41.35 H new ATOM 0 HE1 PHE A 20 13.288 8.657 20.759 1.00 34.79 H new ATOM 0 HE2 PHE A 20 14.771 11.078 23.573 1.00 36.28 H new ATOM 0 HZ PHE A 20 15.040 9.276 22.144 1.00 35.33 H new ATOM 52 N ALA A 21 8.137 12.997 20.226 1.00 31.40 N ATOM 53 CA ALA A 21 6.774 13.449 20.082 1.00 31.22 C ATOM 54 C ALA A 21 5.835 12.296 19.717 1.00 32.69 C ATOM 55 O ALA A 21 6.270 11.175 19.455 1.00 33.58 O ATOM 56 CB ALA A 21 6.729 14.557 19.023 1.00 34.29 C ATOM 0 H ALA A 21 8.394 12.430 19.632 1.00 31.40 H new ATOM 0 HA ALA A 21 6.465 13.801 20.931 1.00 31.22 H new ATOM 0 HB1 ALA A 21 5.816 14.868 18.918 1.00 34.29 H new ATOM 0 HB2 ALA A 21 7.292 15.296 19.303 1.00 34.29 H new ATOM 0 HB3 ALA A 21 7.050 14.209 18.177 1.00 34.29 H new ATOM 57 N ARG A 22 4.537 12.590 19.778 1.00 33.39 N ATOM 58 CA ARG A 22 3.492 11.690 19.344 1.00 31.13 C ATOM 59 C ARG A 22 3.132 11.983 17.888 1.00 32.51 C ATOM 60 O ARG A 22 3.258 13.113 17.427 1.00 32.15 O ATOM 61 CB ARG A 22 2.260 11.916 20.205 1.00 32.60 C ATOM 62 CG ARG A 22 2.544 11.707 21.678 1.00 36.10 C ATOM 63 CD ARG A 22 1.389 12.188 22.493 1.00 41.84 C ATOM 64 NE ARG A 22 1.196 13.610 22.325 1.00 46.76 N ATOM 65 CZ ARG A 22 1.292 14.523 23.278 1.00 51.01 C ATOM 66 NH1 ARG A 22 1.565 14.201 24.531 1.00 55.40 N ATOM 67 NH2 ARG A 22 1.082 15.782 22.967 1.00 48.30 N ATOM 0 H ARG A 22 4.241 13.338 20.081 1.00 33.39 H new ATOM 0 HA ARG A 22 3.800 10.774 19.426 1.00 31.13 H new ATOM 0 HB2 ARG A 22 1.931 12.818 20.066 1.00 32.60 H new ATOM 0 HB3 ARG A 22 1.556 11.311 19.924 1.00 32.60 H new ATOM 0 HG2 ARG A 22 2.705 10.767 21.854 1.00 36.10 H new ATOM 0 HG3 ARG A 22 3.349 12.185 21.931 1.00 36.10 H new ATOM 0 HD2 ARG A 22 0.584 11.715 22.230 1.00 41.84 H new ATOM 0 HD3 ARG A 22 1.543 11.987 23.429 1.00 41.84 H new ATOM 0 HE ARG A 22 1.001 13.888 21.535 1.00 46.76 H new ATOM 0 HH11 ARG A 22 1.686 13.377 24.747 1.00 55.40 H new ATOM 0 HH12 ARG A 22 1.622 14.815 25.130 1.00 55.40 H new ATOM 0 HH21 ARG A 22 0.887 15.998 22.158 1.00 48.30 H new ATOM 0 HH22 ARG A 22 1.140 16.390 23.573 1.00 48.30 H new ATOM 68 N ILE A 23 2.663 10.981 17.157 1.00 33.46 N ATOM 69 CA ILE A 23 2.261 11.235 15.764 1.00 31.84 C ATOM 70 C ILE A 23 1.228 12.374 15.677 1.00 32.84 C ATOM 71 O ILE A 23 1.341 13.241 14.806 1.00 33.04 O ATOM 72 CB ILE A 23 1.755 9.922 15.060 1.00 33.37 C ATOM 73 CG1 ILE A 23 2.894 8.884 14.933 1.00 35.34 C ATOM 74 CG2 ILE A 23 1.084 10.218 13.701 1.00 34.44 C ATOM 75 CD1 ILE A 23 3.974 9.198 13.844 1.00 31.61 C ATOM 0 H ILE A 23 2.569 10.171 17.429 1.00 33.46 H new ATOM 0 HA ILE A 23 3.049 11.528 15.279 1.00 31.84 H new ATOM 0 HB ILE A 23 1.070 9.532 15.625 1.00 33.37 H new ATOM 0 HG12 ILE A 23 3.337 8.806 15.792 1.00 35.34 H new ATOM 0 HG13 ILE A 23 2.502 8.019 14.737 1.00 35.34 H new ATOM 0 HG21 ILE A 23 0.786 9.387 13.299 1.00 34.44 H new ATOM 0 HG22 ILE A 23 0.322 10.802 13.837 1.00 34.44 H new ATOM 0 HG23 ILE A 23 1.722 10.651 13.112 1.00 34.44 H new ATOM 0 HD11 ILE A 23 4.643 8.495 13.839 1.00 31.61 H new ATOM 0 HD12 ILE A 23 3.551 9.247 12.973 1.00 31.61 H new ATOM 0 HD13 ILE A 23 4.399 10.047 14.045 1.00 31.61 H new ATOM 76 N SER A 24 0.252 12.431 16.594 1.00 31.21 N ATOM 77 CA SER A 24 -0.758 13.496 16.519 1.00 33.28 C ATOM 78 C SER A 24 -0.228 14.885 16.858 1.00 34.18 C ATOM 79 O SER A 24 -0.976 15.873 16.766 1.00 35.87 O ATOM 80 CB SER A 24 -1.930 13.181 17.438 1.00 33.44 C ATOM 81 OG SER A 24 -1.461 12.905 18.739 1.00 37.03 O ATOM 0 H SER A 24 0.158 11.881 17.248 1.00 31.21 H new ATOM 0 HA SER A 24 -1.038 13.518 15.591 1.00 33.28 H new ATOM 0 HB2 SER A 24 -2.545 13.931 17.460 1.00 33.44 H new ATOM 0 HB3 SER A 24 -2.424 12.420 17.096 1.00 33.44 H new ATOM 0 HG SER A 24 -1.167 12.119 18.770 1.00 37.03 H new ATOM 82 N ASP A 25 1.049 14.995 17.216 1.00 34.30 N ATOM 83 CA ASP A 25 1.656 16.309 17.446 1.00 33.79 C ATOM 84 C ASP A 25 2.072 16.956 16.118 1.00 34.10 C ATOM 85 O ASP A 25 2.366 18.140 16.086 1.00 34.58 O ATOM 86 CB ASP A 25 2.879 16.208 18.363 1.00 32.14 C ATOM 87 CG ASP A 25 2.539 15.796 19.779 1.00 33.05 C ATOM 88 OD1 ASP A 25 1.507 16.224 20.315 1.00 32.40 O ATOM 89 OD2 ASP A 25 3.347 15.066 20.390 1.00 31.92 O ATOM 0 H ASP A 25 1.580 14.328 17.331 1.00 34.30 H new ATOM 0 HA ASP A 25 0.987 16.862 17.879 1.00 33.79 H new ATOM 0 HB2 ASP A 25 3.503 15.567 17.988 1.00 32.14 H new ATOM 0 HB3 ASP A 25 3.331 17.066 18.383 1.00 32.14 H new ATOM 90 N ILE A 26 2.068 16.198 15.017 1.00 33.51 N ATOM 91 CA ILE A 26 2.448 16.725 13.704 1.00 33.92 C ATOM 92 C ILE A 26 1.393 17.727 13.244 1.00 36.61 C ATOM 93 O ILE A 26 0.201 17.407 13.204 1.00 35.72 O ATOM 94 CB ILE A 26 2.571 15.601 12.664 1.00 33.58 C ATOM 95 CG1 ILE A 26 3.736 14.674 13.059 1.00 32.45 C ATOM 96 CG2 ILE A 26 2.757 16.158 11.209 1.00 33.97 C ATOM 97 CD1 ILE A 26 3.764 13.309 12.366 1.00 34.33 C ATOM 0 H ILE A 26 1.846 15.367 15.011 1.00 33.51 H new ATOM 0 HA ILE A 26 3.313 17.157 13.786 1.00 33.92 H new ATOM 0 HB ILE A 26 1.743 15.096 12.658 1.00 33.58 H new ATOM 0 HG12 ILE A 26 4.570 15.132 12.869 1.00 32.45 H new ATOM 0 HG13 ILE A 26 3.703 14.531 14.018 1.00 32.45 H new ATOM 0 HG21 ILE A 26 2.830 15.418 10.586 1.00 33.97 H new ATOM 0 HG22 ILE A 26 1.992 16.706 10.972 1.00 33.97 H new ATOM 0 HG23 ILE A 26 3.564 16.695 11.169 1.00 33.97 H new ATOM 0 HD11 ILE A 26 4.530 12.802 12.679 1.00 34.33 H new ATOM 0 HD12 ILE A 26 2.950 12.824 12.573 1.00 34.33 H new ATOM 0 HD13 ILE A 26 3.831 13.434 11.406 1.00 34.33 H new ATOM 98 N ASP A 27 1.838 18.940 12.952 1.00 35.01 N ATOM 99 CA ASP A 27 0.984 19.980 12.427 1.00 37.20 C ATOM 100 C ASP A 27 1.582 20.297 11.071 1.00 36.54 C ATOM 101 O ASP A 27 2.659 20.897 10.974 1.00 37.55 O ATOM 102 CB ASP A 27 1.001 21.195 13.329 1.00 36.32 C ATOM 103 CG ASP A 27 0.179 22.350 12.783 1.00 41.33 C ATOM 104 OD1 ASP A 27 -0.300 22.296 11.625 1.00 39.47 O ATOM 105 OD2 ASP A 27 0.019 23.339 13.525 1.00 46.60 O ATOM 0 H ASP A 27 2.657 19.181 13.056 1.00 35.01 H new ATOM 0 HA ASP A 27 0.055 19.708 12.367 1.00 37.20 H new ATOM 0 HB2 ASP A 27 0.661 20.948 14.203 1.00 36.32 H new ATOM 0 HB3 ASP A 27 1.918 21.487 13.453 1.00 36.32 H new ATOM 106 N ILE A 28 0.876 19.872 10.036 1.00 38.33 N ATOM 107 CA ILE A 28 1.365 19.978 8.667 1.00 39.31 C ATOM 108 C ILE A 28 1.654 21.435 8.310 1.00 40.40 C ATOM 109 O ILE A 28 2.449 21.702 7.440 1.00 39.46 O ATOM 110 CB ILE A 28 0.344 19.334 7.665 1.00 39.74 C ATOM 111 CG1 ILE A 28 1.013 19.009 6.336 1.00 36.47 C ATOM 112 CG2 ILE A 28 -0.922 20.209 7.523 1.00 43.88 C ATOM 113 CD1 ILE A 28 2.194 18.089 6.497 1.00 38.07 C ATOM 0 H ILE A 28 0.098 19.513 10.105 1.00 38.33 H new ATOM 0 HA ILE A 28 2.198 19.486 8.597 1.00 39.31 H new ATOM 0 HB ILE A 28 0.043 18.486 8.027 1.00 39.74 H new ATOM 0 HG12 ILE A 28 0.365 18.598 5.743 1.00 36.47 H new ATOM 0 HG13 ILE A 28 1.303 19.832 5.913 1.00 36.47 H new ATOM 0 HG21 ILE A 28 -1.536 19.791 6.900 1.00 43.88 H new ATOM 0 HG22 ILE A 28 -1.351 20.300 8.388 1.00 43.88 H new ATOM 0 HG23 ILE A 28 -0.674 21.086 7.192 1.00 43.88 H new ATOM 0 HD11 ILE A 28 2.586 17.911 5.628 1.00 38.07 H new ATOM 0 HD12 ILE A 28 2.855 18.508 7.070 1.00 38.07 H new ATOM 0 HD13 ILE A 28 1.902 17.255 6.897 1.00 38.07 H new ATOM 114 N ASN A 29 1.017 22.382 8.996 1.00 40.15 N ATOM 115 CA ASN A 29 1.258 23.807 8.734 1.00 41.03 C ATOM 116 C ASN A 29 2.432 24.412 9.478 1.00 40.45 C ATOM 117 O ASN A 29 2.708 25.586 9.315 1.00 38.65 O ATOM 118 CB ASN A 29 -0.004 24.614 9.095 1.00 42.05 C ATOM 119 CG ASN A 29 -1.162 24.264 8.208 1.00 45.58 C ATOM 120 OD1 ASN A 29 -1.003 24.178 7.002 1.00 45.70 O ATOM 121 ND2 ASN A 29 -2.318 24.009 8.796 1.00 50.16 N ATOM 0 H ASN A 29 0.442 22.225 9.616 1.00 40.15 H new ATOM 0 HA ASN A 29 1.476 23.856 7.790 1.00 41.03 H new ATOM 0 HB2 ASN A 29 -0.242 24.445 10.020 1.00 42.05 H new ATOM 0 HB3 ASN A 29 0.186 25.562 9.020 1.00 42.05 H new ATOM 0 HD21 ASN A 29 -2.997 23.771 8.325 1.00 50.16 H new ATOM 0 HD22 ASN A 29 -2.391 24.081 9.650 1.00 50.16 H new ATOM 122 N GLN A 30 3.105 23.630 10.312 1.00 37.11 N ATOM 123 CA GLN A 30 4.162 24.127 11.179 1.00 38.69 C ATOM 124 C GLN A 30 5.285 23.117 11.234 1.00 37.84 C ATOM 125 O GLN A 30 5.242 22.206 12.058 1.00 35.46 O ATOM 126 CB GLN A 30 3.642 24.302 12.604 1.00 40.79 C ATOM 127 CG GLN A 30 2.560 25.366 12.772 1.00 51.20 C ATOM 128 CD GLN A 30 3.099 26.787 12.686 1.00 67.93 C ATOM 129 OE1 GLN A 30 4.277 27.036 12.969 1.00 76.32 O ATOM 130 NE2 GLN A 30 2.229 27.733 12.314 1.00 68.49 N ATOM 0 H GLN A 30 2.959 22.786 10.391 1.00 37.11 H new ATOM 0 HA GLN A 30 4.469 24.976 10.825 1.00 38.69 H new ATOM 0 HB2 GLN A 30 3.291 23.452 12.912 1.00 40.79 H new ATOM 0 HB3 GLN A 30 4.389 24.526 13.181 1.00 40.79 H new ATOM 0 HG2 GLN A 30 1.883 25.241 12.089 1.00 51.20 H new ATOM 0 HG3 GLN A 30 2.124 25.243 13.630 1.00 51.20 H new ATOM 0 HE21 GLN A 30 1.417 27.520 12.125 1.00 68.49 H new ATOM 0 HE22 GLN A 30 2.481 28.554 12.264 1.00 68.49 H new ATOM 131 N PRO A 31 6.284 23.262 10.352 1.00 38.45 N ATOM 132 CA PRO A 31 7.375 22.286 10.314 1.00 39.34 C ATOM 133 C PRO A 31 8.108 22.120 11.629 1.00 37.92 C ATOM 134 O PRO A 31 8.690 21.070 11.849 1.00 38.80 O ATOM 135 CB PRO A 31 8.306 22.838 9.226 1.00 39.65 C ATOM 136 CG PRO A 31 7.408 23.596 8.338 1.00 39.73 C ATOM 137 CD PRO A 31 6.430 24.271 9.283 1.00 37.09 C ATOM 0 HA PRO A 31 7.039 21.394 10.134 1.00 39.34 H new ATOM 0 HB2 PRO A 31 8.995 23.407 9.603 1.00 39.65 H new ATOM 0 HB3 PRO A 31 8.757 22.124 8.749 1.00 39.65 H new ATOM 0 HG2 PRO A 31 7.898 24.247 7.811 1.00 39.73 H new ATOM 0 HG3 PRO A 31 6.951 23.011 7.714 1.00 39.73 H new ATOM 0 HD2 PRO A 31 6.775 25.111 9.623 1.00 37.09 H new ATOM 0 HD3 PRO A 31 5.584 24.466 8.851 1.00 37.09 H new ATOM 138 N GLU A 32 8.061 23.131 12.504 1.00 35.27 N ATOM 139 CA GLU A 32 8.705 23.030 13.811 1.00 34.62 C ATOM 140 C GLU A 32 8.126 21.850 14.584 1.00 35.52 C ATOM 141 O GLU A 32 8.765 21.300 15.471 1.00 36.17 O ATOM 142 CB GLU A 32 8.521 24.332 14.632 1.00 33.53 C ATOM 0 H GLU A 32 7.662 23.879 12.358 1.00 35.27 H new ATOM 0 HA GLU A 32 9.655 22.893 13.668 1.00 34.62 H new ATOM 143 N SER A 33 6.919 21.435 14.230 1.00 36.88 N ATOM 144 CA SER A 33 6.275 20.335 14.939 1.00 36.26 C ATOM 145 C SER A 33 6.872 18.967 14.641 1.00 36.25 C ATOM 146 O SER A 33 6.581 18.002 15.353 1.00 36.09 O ATOM 147 CB SER A 33 4.776 20.315 14.634 1.00 36.04 C ATOM 148 OG SER A 33 4.508 19.883 13.323 1.00 32.33 O ATOM 0 H SER A 33 6.457 21.772 13.588 1.00 36.88 H new ATOM 0 HA SER A 33 6.431 20.504 15.881 1.00 36.26 H new ATOM 0 HB2 SER A 33 4.327 19.730 15.264 1.00 36.04 H new ATOM 0 HB3 SER A 33 4.409 21.204 14.761 1.00 36.04 H new ATOM 0 HG SER A 33 4.685 20.501 12.782 1.00 32.33 H new ATOM 149 N TRP A 34 7.686 18.863 13.597 1.00 36.30 N ATOM 150 CA TRP A 34 8.277 17.576 13.211 1.00 34.60 C ATOM 151 C TRP A 34 9.742 17.584 12.830 1.00 33.14 C ATOM 152 O TRP A 34 10.400 16.553 12.903 1.00 31.71 O ATOM 153 CB TRP A 34 7.531 16.980 12.016 1.00 34.75 C ATOM 154 CG TRP A 34 7.844 17.611 10.640 1.00 40.06 C ATOM 155 CD1 TRP A 34 8.996 17.420 9.841 1.00 36.79 C ATOM 156 CD2 TRP A 34 6.995 18.455 9.895 1.00 39.42 C ATOM 157 NE1 TRP A 34 8.877 18.121 8.677 1.00 47.28 N ATOM 158 CE2 TRP A 34 7.665 18.773 8.679 1.00 42.40 C ATOM 159 CE3 TRP A 34 5.727 18.966 10.116 1.00 39.48 C ATOM 160 CZ2 TRP A 34 7.096 19.575 7.705 1.00 48.69 C ATOM 161 CZ3 TRP A 34 5.151 19.768 9.147 1.00 46.76 C ATOM 162 CH2 TRP A 34 5.832 20.081 7.948 1.00 50.98 C ATOM 0 H TRP A 34 7.912 19.524 13.095 1.00 36.30 H new ATOM 0 HA TRP A 34 8.195 17.055 14.025 1.00 34.60 H new ATOM 0 HB2 TRP A 34 7.733 16.032 11.971 1.00 34.75 H new ATOM 0 HB3 TRP A 34 6.578 17.060 12.179 1.00 34.75 H new ATOM 0 HD1 TRP A 34 9.726 16.894 10.075 1.00 36.79 H new ATOM 0 HE1 TRP A 34 9.462 18.151 8.047 1.00 47.28 H new ATOM 0 HE3 TRP A 34 5.270 18.773 10.903 1.00 39.48 H new ATOM 0 HZ2 TRP A 34 7.548 19.767 6.915 1.00 48.69 H new ATOM 0 HZ3 TRP A 34 4.297 20.109 9.287 1.00 46.76 H new ATOM 0 HH2 TRP A 34 5.427 20.632 7.318 1.00 50.98 H new ATOM 163 N ARG A 35 10.253 18.710 12.364 1.00 33.65 N ATOM 164 CA ARG A 35 11.588 18.750 11.801 1.00 31.40 C ATOM 165 C ARG A 35 12.634 18.448 12.821 1.00 32.29 C ATOM 166 O ARG A 35 12.737 19.120 13.859 1.00 31.65 O ATOM 167 CB ARG A 35 11.827 20.107 11.167 1.00 33.26 C ATOM 168 CG ARG A 35 12.878 20.120 10.129 1.00 43.12 C ATOM 169 CD ARG A 35 12.911 21.496 9.493 1.00 47.60 C ATOM 170 NE ARG A 35 14.196 21.731 8.861 1.00 49.96 N ATOM 171 CZ ARG A 35 14.443 21.585 7.569 1.00 57.73 C ATOM 172 NH1 ARG A 35 13.466 21.202 6.728 1.00 60.66 N ATOM 173 NH2 ARG A 35 15.671 21.832 7.111 1.00 55.58 N ATOM 0 H ARG A 35 9.841 19.465 12.365 1.00 33.65 H new ATOM 0 HA ARG A 35 11.653 18.060 11.122 1.00 31.40 H new ATOM 0 HB2 ARG A 35 10.997 20.419 10.775 1.00 33.26 H new ATOM 0 HB3 ARG A 35 12.067 20.739 11.863 1.00 33.26 H new ATOM 0 HG2 ARG A 35 13.740 19.909 10.520 1.00 43.12 H new ATOM 0 HG3 ARG A 35 12.697 19.443 9.458 1.00 43.12 H new ATOM 0 HD2 ARG A 35 12.202 21.572 8.835 1.00 47.60 H new ATOM 0 HD3 ARG A 35 12.747 22.174 10.167 1.00 47.60 H new ATOM 0 HE ARG A 35 14.846 21.984 9.364 1.00 49.96 H new ATOM 0 HH11 ARG A 35 12.675 21.050 7.029 1.00 60.66 H new ATOM 0 HH12 ARG A 35 13.632 21.109 5.889 1.00 60.66 H new ATOM 0 HH21 ARG A 35 16.290 22.083 7.653 1.00 55.58 H new ATOM 0 HH22 ARG A 35 15.844 21.741 6.274 1.00 55.58 H new ATOM 174 N GLY A 36 13.409 17.415 12.561 1.00 31.29 N ATOM 175 CA GLY A 36 14.439 16.976 13.508 1.00 32.02 C ATOM 176 C GLY A 36 13.948 16.225 14.737 1.00 33.00 C ATOM 177 O GLY A 36 14.743 15.855 15.597 1.00 33.15 O ATOM 0 H GLY A 36 13.362 16.946 11.842 1.00 31.29 H new ATOM 0 HA2 GLY A 36 15.066 16.408 13.034 1.00 32.02 H new ATOM 0 HA3 GLY A 36 14.932 17.757 13.805 1.00 32.02 H new ATOM 178 N ARG A 37 12.651 15.974 14.826 1.00 32.76 N ATOM 179 CA ARG A 37 12.091 15.316 15.983 1.00 32.22 C ATOM 180 C ARG A 37 12.012 13.835 15.735 1.00 32.31 C ATOM 181 O ARG A 37 12.075 13.379 14.585 1.00 32.24 O ATOM 182 CB ARG A 37 10.709 15.888 16.310 1.00 33.31 C ATOM 183 CG ARG A 37 10.744 17.387 16.548 1.00 40.87 C ATOM 184 CD ARG A 37 9.397 17.901 16.958 1.00 46.68 C ATOM 185 NE ARG A 37 9.187 17.797 18.391 1.00 45.96 N ATOM 186 CZ ARG A 37 8.015 17.973 19.016 1.00 49.97 C ATOM 187 NH1 ARG A 37 6.887 18.257 18.333 1.00 36.48 N ATOM 188 NH2 ARG A 37 7.971 17.859 20.350 1.00 48.38 N ATOM 0 H ARG A 37 12.077 16.180 14.220 1.00 32.76 H new ATOM 0 HA ARG A 37 12.667 15.474 16.747 1.00 32.22 H new ATOM 0 HB2 ARG A 37 10.100 15.693 15.580 1.00 33.31 H new ATOM 0 HB3 ARG A 37 10.357 15.446 17.099 1.00 33.31 H new ATOM 0 HG2 ARG A 37 11.395 17.593 17.237 1.00 40.87 H new ATOM 0 HG3 ARG A 37 11.033 17.839 15.740 1.00 40.87 H new ATOM 0 HD2 ARG A 37 9.309 18.828 16.686 1.00 46.68 H new ATOM 0 HD3 ARG A 37 8.707 17.402 16.494 1.00 46.68 H new ATOM 0 HE ARG A 37 9.870 17.607 18.878 1.00 45.96 H new ATOM 0 HH11 ARG A 37 6.910 18.329 17.476 1.00 36.48 H new ATOM 0 HH12 ARG A 37 6.145 18.366 18.754 1.00 36.48 H new ATOM 0 HH21 ARG A 37 8.687 17.676 20.790 1.00 48.38 H new ATOM 0 HH22 ARG A 37 7.227 17.969 20.767 1.00 48.38 H new ATOM 189 N ILE A 38 11.867 13.105 16.830 1.00 32.11 N ATOM 190 CA ILE A 38 11.823 11.654 16.816 1.00 31.63 C ATOM 191 C ILE A 38 10.439 11.206 17.267 1.00 32.95 C ATOM 192 O ILE A 38 9.904 11.695 18.279 1.00 32.09 O ATOM 193 CB ILE A 38 12.889 11.064 17.734 1.00 33.21 C ATOM 194 CG1 ILE A 38 14.297 11.529 17.283 1.00 33.69 C ATOM 195 CG2 ILE A 38 12.748 9.549 17.768 1.00 32.59 C ATOM 196 CD1 ILE A 38 15.424 11.252 18.291 1.00 34.41 C ATOM 0 H ILE A 38 11.790 13.446 17.616 1.00 32.11 H new ATOM 0 HA ILE A 38 12.001 11.338 15.916 1.00 31.63 H new ATOM 0 HB ILE A 38 12.767 11.386 18.641 1.00 33.21 H new ATOM 0 HG12 ILE A 38 14.515 11.091 16.445 1.00 33.69 H new ATOM 0 HG13 ILE A 38 14.267 12.482 17.105 1.00 33.69 H new ATOM 0 HG21 ILE A 38 13.426 9.174 18.352 1.00 32.59 H new ATOM 0 HG22 ILE A 38 11.868 9.313 18.101 1.00 32.59 H new ATOM 0 HG23 ILE A 38 12.860 9.193 16.873 1.00 32.59 H new ATOM 0 HD11 ILE A 38 16.266 11.573 17.932 1.00 34.41 H new ATOM 0 HD12 ILE A 38 15.233 11.711 19.124 1.00 34.41 H new ATOM 0 HD13 ILE A 38 15.485 10.298 18.454 1.00 34.41 H new ATOM 197 N PHE A 39 9.844 10.328 16.477 1.00 31.54 N ATOM 198 CA PHE A 39 8.532 9.749 16.783 1.00 32.25 C ATOM 199 C PHE A 39 8.666 8.235 16.955 1.00 32.71 C ATOM 200 O PHE A 39 8.790 7.487 15.974 1.00 33.53 O ATOM 201 CB PHE A 39 7.545 10.055 15.656 1.00 31.45 C ATOM 202 CG PHE A 39 7.302 11.525 15.439 1.00 31.84 C ATOM 203 CD1 PHE A 39 8.226 12.300 14.793 1.00 31.88 C ATOM 204 CD2 PHE A 39 6.160 12.134 15.933 1.00 31.99 C ATOM 205 CE1 PHE A 39 8.024 13.659 14.613 1.00 33.32 C ATOM 206 CE2 PHE A 39 5.940 13.488 15.732 1.00 33.17 C ATOM 207 CZ PHE A 39 6.886 14.248 15.082 1.00 34.30 C ATOM 0 H PHE A 39 10.187 10.045 15.741 1.00 31.54 H new ATOM 0 HA PHE A 39 8.199 10.139 17.606 1.00 32.25 H new ATOM 0 HB2 PHE A 39 7.878 9.666 14.832 1.00 31.45 H new ATOM 0 HB3 PHE A 39 6.699 9.622 15.852 1.00 31.45 H new ATOM 0 HD1 PHE A 39 9.004 11.907 14.469 1.00 31.88 H new ATOM 0 HD2 PHE A 39 5.536 11.630 16.403 1.00 31.99 H new ATOM 0 HE1 PHE A 39 8.664 14.170 14.172 1.00 33.32 H new ATOM 0 HE2 PHE A 39 5.154 13.882 16.036 1.00 33.17 H new ATOM 0 HZ PHE A 39 6.750 15.160 14.963 1.00 34.30 H new ATOM 208 N LEU A 40 8.723 7.778 18.207 1.00 31.49 N ATOM 209 CA LEU A 40 8.807 6.348 18.483 1.00 32.78 C ATOM 210 C LEU A 40 7.410 5.775 18.336 1.00 30.75 C ATOM 211 O LEU A 40 6.432 6.296 18.934 1.00 33.31 O ATOM 212 CB LEU A 40 9.331 6.096 19.899 1.00 32.91 C ATOM 213 CG LEU A 40 10.759 6.549 20.225 1.00 36.47 C ATOM 214 CD1 LEU A 40 11.056 6.369 21.734 1.00 34.61 C ATOM 215 CD2 LEU A 40 11.755 5.795 19.380 1.00 37.26 C ATOM 0 H LEU A 40 8.714 8.279 18.906 1.00 31.49 H new ATOM 0 HA LEU A 40 9.423 5.924 17.865 1.00 32.78 H new ATOM 0 HB2 LEU A 40 8.730 6.534 20.521 1.00 32.91 H new ATOM 0 HB3 LEU A 40 9.274 5.143 20.073 1.00 32.91 H new ATOM 0 HG LEU A 40 10.841 7.493 20.016 1.00 36.47 H new ATOM 0 HD11 LEU A 40 11.962 6.660 21.923 1.00 34.61 H new ATOM 0 HD12 LEU A 40 10.432 6.900 22.253 1.00 34.61 H new ATOM 0 HD13 LEU A 40 10.961 5.434 21.973 1.00 34.61 H new ATOM 0 HD21 LEU A 40 12.653 6.091 19.596 1.00 37.26 H new ATOM 0 HD22 LEU A 40 11.677 4.845 19.558 1.00 37.26 H new ATOM 0 HD23 LEU A 40 11.577 5.964 18.442 1.00 37.26 H new ATOM 216 N THR A 41 7.294 4.739 17.522 1.00 32.24 N ATOM 217 CA THR A 41 6.022 4.092 17.280 1.00 32.20 C ATOM 218 C THR A 41 6.171 2.589 17.537 1.00 34.00 C ATOM 219 O THR A 41 7.220 2.000 17.270 1.00 33.49 O ATOM 220 CB THR A 41 5.462 4.381 15.852 1.00 32.96 C ATOM 221 OG1 THR A 41 6.250 3.709 14.866 1.00 33.07 O ATOM 222 CG2 THR A 41 5.396 5.904 15.559 1.00 31.44 C ATOM 0 H THR A 41 7.954 4.391 17.094 1.00 32.24 H new ATOM 0 HA THR A 41 5.368 4.461 17.894 1.00 32.20 H new ATOM 0 HB THR A 41 4.555 4.040 15.814 1.00 32.96 H new ATOM 0 HG1 THR A 41 7.046 3.971 14.917 1.00 33.07 H new ATOM 0 HG21 THR A 41 5.045 6.047 14.666 1.00 31.44 H new ATOM 0 HG22 THR A 41 4.816 6.334 16.207 1.00 31.44 H new ATOM 0 HG23 THR A 41 6.286 6.284 15.620 1.00 31.44 H new ATOM 223 N PHE A 42 5.102 1.998 18.060 1.00 32.84 N ATOM 224 CA PHE A 42 5.078 0.604 18.429 1.00 32.47 C ATOM 225 C PHE A 42 3.895 -0.110 17.815 1.00 33.17 C ATOM 226 O PHE A 42 2.768 0.217 18.093 1.00 33.07 O ATOM 227 CB PHE A 42 5.046 0.514 19.955 1.00 32.49 C ATOM 228 CG PHE A 42 6.278 1.097 20.590 1.00 32.55 C ATOM 229 CD1 PHE A 42 7.396 0.307 20.795 1.00 36.00 C ATOM 230 CD2 PHE A 42 6.325 2.433 20.931 1.00 32.75 C ATOM 231 CE1 PHE A 42 8.554 0.850 21.304 1.00 34.31 C ATOM 232 CE2 PHE A 42 7.465 2.994 21.452 1.00 36.64 C ATOM 233 CZ PHE A 42 8.584 2.211 21.632 1.00 36.52 C ATOM 0 H PHE A 42 4.362 2.409 18.210 1.00 32.84 H new ATOM 0 HA PHE A 42 5.873 0.164 18.089 1.00 32.47 H new ATOM 0 HB2 PHE A 42 4.263 0.980 20.287 1.00 32.49 H new ATOM 0 HB3 PHE A 42 4.957 -0.415 20.220 1.00 32.49 H new ATOM 0 HD1 PHE A 42 7.365 -0.599 20.587 1.00 36.00 H new ATOM 0 HD2 PHE A 42 5.571 2.963 20.806 1.00 32.75 H new ATOM 0 HE1 PHE A 42 9.307 0.319 21.429 1.00 34.31 H new ATOM 0 HE2 PHE A 42 7.481 3.895 21.681 1.00 36.64 H new ATOM 0 HZ PHE A 42 9.363 2.588 21.973 1.00 36.52 H new ATOM 234 N ASP A 43 4.179 -1.058 16.936 1.00 34.21 N ATOM 235 CA ASP A 43 3.194 -1.943 16.344 1.00 32.37 C ATOM 236 C ASP A 43 3.099 -3.157 17.306 1.00 33.72 C ATOM 237 O ASP A 43 4.043 -3.968 17.429 1.00 34.73 O ATOM 238 CB ASP A 43 3.644 -2.429 14.978 1.00 32.57 C ATOM 239 CG ASP A 43 3.617 -1.330 13.915 1.00 38.48 C ATOM 240 OD1 ASP A 43 3.092 -0.230 14.174 1.00 36.59 O ATOM 241 OD2 ASP A 43 4.120 -1.597 12.803 1.00 37.88 O ATOM 0 H ASP A 43 4.979 -1.208 16.659 1.00 34.21 H new ATOM 0 HA ASP A 43 2.346 -1.487 16.225 1.00 32.37 H new ATOM 0 HB2 ASP A 43 4.544 -2.784 15.047 1.00 32.57 H new ATOM 0 HB3 ASP A 43 3.072 -3.160 14.695 1.00 32.57 H new ATOM 242 N ILE A 44 1.995 -3.234 18.012 1.00 33.61 N ATOM 243 CA ILE A 44 1.852 -4.196 19.118 1.00 33.68 C ATOM 244 C ILE A 44 1.910 -5.648 18.608 1.00 33.62 C ATOM 245 O ILE A 44 2.487 -6.501 19.251 1.00 33.31 O ATOM 246 CB ILE A 44 0.629 -3.828 19.981 1.00 36.37 C ATOM 247 CG1 ILE A 44 0.885 -2.463 20.676 1.00 33.68 C ATOM 248 CG2 ILE A 44 0.298 -4.947 21.032 1.00 32.30 C ATOM 249 CD1 ILE A 44 -0.309 -1.926 21.524 1.00 33.25 C ATOM 0 H ILE A 44 1.303 -2.741 17.878 1.00 33.61 H new ATOM 0 HA ILE A 44 2.611 -4.137 19.720 1.00 33.68 H new ATOM 0 HB ILE A 44 -0.147 -3.753 19.403 1.00 36.37 H new ATOM 0 HG12 ILE A 44 1.661 -2.548 21.251 1.00 33.68 H new ATOM 0 HG13 ILE A 44 1.105 -1.805 19.998 1.00 33.68 H new ATOM 0 HG21 ILE A 44 -0.475 -4.682 21.555 1.00 32.30 H new ATOM 0 HG22 ILE A 44 0.105 -5.778 20.570 1.00 32.30 H new ATOM 0 HG23 ILE A 44 1.059 -5.073 21.621 1.00 32.30 H new ATOM 0 HD11 ILE A 44 -0.067 -1.075 21.921 1.00 33.25 H new ATOM 0 HD12 ILE A 44 -1.084 -1.807 20.953 1.00 33.25 H new ATOM 0 HD13 ILE A 44 -0.519 -2.562 22.226 1.00 33.25 H new ATOM 250 N ASP A 45 1.359 -5.900 17.425 1.00 32.78 N ATOM 251 CA ASP A 45 1.389 -7.219 16.773 1.00 32.50 C ATOM 252 C ASP A 45 1.054 -8.392 17.693 1.00 32.27 C ATOM 253 O ASP A 45 1.789 -9.388 17.751 1.00 33.04 O ATOM 254 CB ASP A 45 2.728 -7.455 16.062 1.00 32.43 C ATOM 255 CG ASP A 45 2.819 -6.681 14.773 1.00 36.30 C ATOM 256 OD1 ASP A 45 2.046 -5.710 14.645 1.00 36.71 O ATOM 257 OD2 ASP A 45 3.652 -7.026 13.909 1.00 37.59 O ATOM 0 H ASP A 45 0.948 -5.301 16.965 1.00 32.78 H new ATOM 0 HA ASP A 45 0.675 -7.191 16.117 1.00 32.50 H new ATOM 0 HB2 ASP A 45 3.456 -7.195 16.648 1.00 32.43 H new ATOM 0 HB3 ASP A 45 2.835 -8.402 15.879 1.00 32.43 H new ATOM 258 N TRP A 46 -0.063 -8.277 18.393 1.00 34.58 N ATOM 259 CA TRP A 46 -0.592 -9.380 19.199 1.00 33.67 C ATOM 260 C TRP A 46 0.341 -9.892 20.293 1.00 34.34 C ATOM 261 O TRP A 46 0.205 -11.021 20.740 1.00 35.27 O ATOM 262 CB TRP A 46 -1.065 -10.549 18.296 1.00 35.40 C ATOM 263 CG TRP A 46 -2.090 -10.080 17.291 1.00 34.38 C ATOM 264 CD1 TRP A 46 -3.431 -9.958 17.496 1.00 35.89 C ATOM 265 CD2 TRP A 46 -1.842 -9.594 15.962 1.00 33.59 C ATOM 266 NE1 TRP A 46 -4.031 -9.446 16.382 1.00 34.61 N ATOM 267 CE2 TRP A 46 -3.088 -9.212 15.422 1.00 39.73 C ATOM 268 CE3 TRP A 46 -0.687 -9.434 15.179 1.00 38.49 C ATOM 269 CZ2 TRP A 46 -3.225 -8.695 14.133 1.00 38.50 C ATOM 270 CZ3 TRP A 46 -0.826 -8.921 13.889 1.00 37.76 C ATOM 271 CH2 TRP A 46 -2.087 -8.562 13.387 1.00 39.49 C ATOM 0 H TRP A 46 -0.539 -7.561 18.418 1.00 34.58 H new ATOM 0 HA TRP A 46 -1.349 -8.999 19.670 1.00 33.67 H new ATOM 0 HB2 TRP A 46 -0.304 -10.931 17.832 1.00 35.40 H new ATOM 0 HB3 TRP A 46 -1.445 -11.253 18.845 1.00 35.40 H new ATOM 0 HD1 TRP A 46 -3.873 -10.190 18.281 1.00 35.89 H new ATOM 0 HE1 TRP A 46 -4.873 -9.294 16.298 1.00 34.61 H new ATOM 0 HE3 TRP A 46 0.150 -9.664 15.512 1.00 38.49 H new ATOM 0 HZ2 TRP A 46 -4.056 -8.451 13.795 1.00 38.50 H new ATOM 0 HZ3 TRP A 46 -0.073 -8.815 13.354 1.00 37.76 H new ATOM 0 HH2 TRP A 46 -2.150 -8.224 12.523 1.00 39.49 H new ATOM 272 N ALA A 47 1.271 -9.064 20.753 1.00 32.93 N ATOM 273 CA ALA A 47 2.154 -9.460 21.858 1.00 33.44 C ATOM 274 C ALA A 47 1.381 -9.858 23.116 1.00 33.04 C ATOM 275 O ALA A 47 0.377 -9.249 23.485 1.00 32.28 O ATOM 276 CB ALA A 47 3.113 -8.317 22.181 1.00 30.62 C ATOM 0 H ALA A 47 1.411 -8.273 20.446 1.00 32.93 H new ATOM 0 HA ALA A 47 2.648 -10.242 21.567 1.00 33.44 H new ATOM 0 HB1 ALA A 47 3.696 -8.580 22.911 1.00 30.62 H new ATOM 0 HB2 ALA A 47 3.648 -8.112 21.398 1.00 30.62 H new ATOM 0 HB3 ALA A 47 2.606 -7.532 22.439 1.00 30.62 H new ATOM 277 N ALA A 48 1.871 -10.877 23.803 1.00 32.18 N ATOM 278 CA ALA A 48 1.330 -11.252 25.075 1.00 29.59 C ATOM 279 C ALA A 48 1.469 -10.042 26.007 1.00 32.11 C ATOM 280 O ALA A 48 2.361 -9.230 25.845 1.00 30.45 O ATOM 281 CB ALA A 48 2.126 -12.457 25.651 1.00 30.50 C ATOM 0 H ALA A 48 2.527 -11.365 23.537 1.00 32.18 H new ATOM 0 HA ALA A 48 0.400 -11.514 24.990 1.00 29.59 H new ATOM 0 HB1 ALA A 48 1.756 -12.707 26.512 1.00 30.50 H new ATOM 0 HB2 ALA A 48 2.062 -13.209 25.041 1.00 30.50 H new ATOM 0 HB3 ALA A 48 3.057 -12.208 25.760 1.00 30.50 H new ATOM 282 N ASP A 49 0.607 -9.957 27.011 1.00 31.95 N ATOM 283 CA ASP A 49 0.634 -8.864 27.966 1.00 32.58 C ATOM 284 C ASP A 49 1.982 -8.653 28.652 1.00 32.64 C ATOM 285 O ASP A 49 2.381 -7.511 28.852 1.00 32.83 O ATOM 286 CB ASP A 49 -0.454 -9.067 29.026 1.00 33.00 C ATOM 287 CG ASP A 49 -1.848 -8.714 28.527 1.00 35.95 C ATOM 288 OD1 ASP A 49 -2.033 -8.213 27.401 1.00 36.86 O ATOM 289 OD2 ASP A 49 -2.797 -8.935 29.288 1.00 34.68 O ATOM 0 H ASP A 49 -0.012 -10.535 27.157 1.00 31.95 H new ATOM 0 HA ASP A 49 0.468 -8.061 27.447 1.00 32.58 H new ATOM 0 HB2 ASP A 49 -0.445 -9.992 29.317 1.00 33.00 H new ATOM 0 HB3 ASP A 49 -0.247 -8.523 29.802 1.00 33.00 H new ATOM 290 N PHE A 50 2.689 -9.725 29.040 1.00 34.03 N ATOM 291 CA PHE A 50 3.960 -9.536 29.759 1.00 31.67 C ATOM 292 C PHE A 50 4.998 -8.896 28.835 1.00 31.68 C ATOM 293 O PHE A 50 5.823 -8.082 29.262 1.00 33.05 O ATOM 294 CB PHE A 50 4.484 -10.846 30.394 1.00 31.82 C ATOM 295 CG PHE A 50 5.042 -11.841 29.413 1.00 30.17 C ATOM 296 CD1 PHE A 50 4.212 -12.759 28.785 1.00 33.89 C ATOM 297 CD2 PHE A 50 6.413 -11.930 29.196 1.00 35.02 C ATOM 298 CE1 PHE A 50 4.719 -13.690 27.894 1.00 35.10 C ATOM 299 CE2 PHE A 50 6.937 -12.872 28.325 1.00 32.60 C ATOM 300 CZ PHE A 50 6.093 -13.749 27.662 1.00 32.62 C ATOM 0 H PHE A 50 2.461 -10.543 28.903 1.00 34.03 H new ATOM 0 HA PHE A 50 3.793 -8.932 30.499 1.00 31.67 H new ATOM 0 HB2 PHE A 50 5.174 -10.625 31.039 1.00 31.82 H new ATOM 0 HB3 PHE A 50 3.760 -11.265 30.885 1.00 31.82 H new ATOM 0 HD1 PHE A 50 3.300 -12.749 28.966 1.00 33.89 H new ATOM 0 HD2 PHE A 50 6.986 -11.349 29.642 1.00 35.02 H new ATOM 0 HE1 PHE A 50 4.145 -14.274 27.452 1.00 35.10 H new ATOM 0 HE2 PHE A 50 7.855 -12.916 28.185 1.00 32.60 H new ATOM 0 HZ PHE A 50 6.441 -14.373 27.066 1.00 32.62 H new ATOM 301 N VAL A 51 4.925 -9.237 27.554 1.00 31.88 N ATOM 302 CA VAL A 51 5.802 -8.653 26.542 1.00 31.51 C ATOM 303 C VAL A 51 5.457 -7.175 26.322 1.00 32.41 C ATOM 304 O VAL A 51 6.344 -6.334 26.303 1.00 32.84 O ATOM 305 CB VAL A 51 5.727 -9.448 25.224 1.00 28.31 C ATOM 306 CG1 VAL A 51 6.466 -8.717 24.065 1.00 31.00 C ATOM 307 CG2 VAL A 51 6.271 -10.867 25.431 1.00 32.34 C ATOM 0 H VAL A 51 4.366 -9.813 27.245 1.00 31.88 H new ATOM 0 HA VAL A 51 6.716 -8.703 26.862 1.00 31.51 H new ATOM 0 HB VAL A 51 4.795 -9.512 24.963 1.00 28.31 H new ATOM 0 HG11 VAL A 51 6.398 -9.245 23.254 1.00 31.00 H new ATOM 0 HG12 VAL A 51 6.060 -7.848 23.920 1.00 31.00 H new ATOM 0 HG13 VAL A 51 7.401 -8.602 24.298 1.00 31.00 H new ATOM 0 HG21 VAL A 51 6.219 -11.359 24.596 1.00 32.34 H new ATOM 0 HG22 VAL A 51 7.195 -10.820 25.722 1.00 32.34 H new ATOM 0 HG23 VAL A 51 5.743 -11.321 26.106 1.00 32.34 H new ATOM 308 N LEU A 52 4.172 -6.856 26.164 1.00 32.61 N ATOM 309 CA LEU A 52 3.770 -5.459 25.955 1.00 31.41 C ATOM 310 C LEU A 52 4.107 -4.648 27.200 1.00 31.94 C ATOM 311 O LEU A 52 4.643 -3.543 27.096 1.00 33.34 O ATOM 312 CB LEU A 52 2.270 -5.363 25.606 1.00 30.79 C ATOM 313 CG LEU A 52 1.685 -3.954 25.468 1.00 33.61 C ATOM 314 CD1 LEU A 52 2.463 -3.113 24.458 1.00 30.40 C ATOM 315 CD2 LEU A 52 0.220 -4.056 25.068 1.00 32.57 C ATOM 0 H LEU A 52 3.525 -7.422 26.174 1.00 32.61 H new ATOM 0 HA LEU A 52 4.260 -5.093 25.202 1.00 31.41 H new ATOM 0 HB2 LEU A 52 2.122 -5.835 24.772 1.00 30.79 H new ATOM 0 HB3 LEU A 52 1.769 -5.833 26.291 1.00 30.79 H new ATOM 0 HG LEU A 52 1.758 -3.506 26.325 1.00 33.61 H new ATOM 0 HD11 LEU A 52 2.065 -2.230 24.397 1.00 30.40 H new ATOM 0 HD12 LEU A 52 3.386 -3.032 24.746 1.00 30.40 H new ATOM 0 HD13 LEU A 52 2.433 -3.541 23.588 1.00 30.40 H new ATOM 0 HD21 LEU A 52 -0.154 -3.165 24.980 1.00 32.57 H new ATOM 0 HD22 LEU A 52 0.147 -4.522 24.221 1.00 32.57 H new ATOM 0 HD23 LEU A 52 -0.268 -4.545 25.749 1.00 32.57 H new ATOM 316 N GLN A 53 3.857 -5.216 28.382 1.00 32.97 N ATOM 317 CA GLN A 53 4.174 -4.502 29.621 1.00 33.41 C ATOM 318 C GLN A 53 5.644 -4.129 29.729 1.00 31.04 C ATOM 319 O GLN A 53 5.986 -3.058 30.212 1.00 32.07 O ATOM 320 CB GLN A 53 3.785 -5.292 30.862 1.00 35.34 C ATOM 321 CG GLN A 53 3.947 -4.439 32.150 1.00 41.27 C ATOM 322 CD GLN A 53 2.972 -3.277 32.195 1.00 39.86 C ATOM 323 OE1 GLN A 53 1.773 -3.496 32.123 1.00 49.45 O ATOM 324 NE2 GLN A 53 3.474 -2.045 32.295 1.00 41.92 N ATOM 0 H GLN A 53 3.512 -5.997 28.488 1.00 32.97 H new ATOM 0 HA GLN A 53 3.646 -3.689 29.578 1.00 33.41 H new ATOM 0 HB2 GLN A 53 2.865 -5.590 30.783 1.00 35.34 H new ATOM 0 HB3 GLN A 53 4.336 -6.087 30.927 1.00 35.34 H new ATOM 0 HG2 GLN A 53 3.812 -5.002 32.928 1.00 41.27 H new ATOM 0 HG3 GLN A 53 4.854 -4.100 32.199 1.00 41.27 H new ATOM 0 HE21 GLN A 53 4.325 -1.930 32.344 1.00 41.92 H new ATOM 0 HE22 GLN A 53 2.947 -1.366 32.311 1.00 41.92 H new ATOM 325 N ASP A 54 6.525 -5.008 29.278 1.00 33.82 N ATOM 326 CA ASP A 54 7.956 -4.743 29.340 1.00 33.11 C ATOM 327 C ASP A 54 8.324 -3.568 28.464 1.00 33.63 C ATOM 328 O ASP A 54 9.137 -2.717 28.852 1.00 34.16 O ATOM 329 CB ASP A 54 8.735 -5.987 28.895 1.00 33.29 C ATOM 330 CG ASP A 54 10.219 -5.689 28.620 1.00 37.68 C ATOM 331 OD1 ASP A 54 10.992 -5.604 29.582 1.00 40.05 O ATOM 332 OD2 ASP A 54 10.603 -5.531 27.452 1.00 41.84 O ATOM 0 H ASP A 54 6.316 -5.767 28.931 1.00 33.82 H new ATOM 0 HA ASP A 54 8.188 -4.527 30.257 1.00 33.11 H new ATOM 0 HB2 ASP A 54 8.667 -6.669 29.581 1.00 33.29 H new ATOM 0 HB3 ASP A 54 8.327 -6.350 28.093 1.00 33.29 H new ATOM 333 N THR A 55 7.729 -3.504 27.268 1.00 34.36 N ATOM 334 CA THR A 55 7.991 -2.375 26.387 1.00 33.84 C ATOM 335 C THR A 55 7.448 -1.081 26.989 1.00 33.66 C ATOM 336 O THR A 55 8.145 -0.087 27.002 1.00 33.04 O ATOM 337 CB THR A 55 7.452 -2.596 24.972 1.00 35.81 C ATOM 338 OG1 THR A 55 8.022 -3.782 24.409 1.00 40.49 O ATOM 339 CG2 THR A 55 7.862 -1.427 24.080 1.00 34.05 C ATOM 0 H THR A 55 7.183 -4.092 26.958 1.00 34.36 H new ATOM 0 HA THR A 55 8.954 -2.296 26.306 1.00 33.84 H new ATOM 0 HB THR A 55 6.486 -2.673 25.022 1.00 35.81 H new ATOM 0 HG1 THR A 55 7.474 -4.415 24.474 1.00 40.49 H new ATOM 0 HG21 THR A 55 7.520 -1.568 23.183 1.00 34.05 H new ATOM 0 HG22 THR A 55 7.498 -0.603 24.439 1.00 34.05 H new ATOM 0 HG23 THR A 55 8.830 -1.366 24.050 1.00 34.05 H new ATOM 340 N ILE A 56 6.201 -1.082 27.456 1.00 33.92 N ATOM 341 CA ILE A 56 5.627 0.083 28.168 1.00 34.46 C ATOM 342 C ILE A 56 6.542 0.552 29.313 1.00 34.42 C ATOM 343 O ILE A 56 6.833 1.744 29.448 1.00 34.23 O ATOM 344 CB ILE A 56 4.204 -0.233 28.725 1.00 35.74 C ATOM 345 CG1 ILE A 56 3.183 -0.360 27.584 1.00 33.12 C ATOM 346 CG2 ILE A 56 3.709 0.878 29.665 1.00 33.56 C ATOM 347 CD1 ILE A 56 1.857 -0.954 28.002 1.00 33.95 C ATOM 0 H ILE A 56 5.661 -1.747 27.375 1.00 33.92 H new ATOM 0 HA ILE A 56 5.553 0.800 27.518 1.00 34.46 H new ATOM 0 HB ILE A 56 4.278 -1.070 29.210 1.00 35.74 H new ATOM 0 HG12 ILE A 56 3.027 0.519 27.204 1.00 33.12 H new ATOM 0 HG13 ILE A 56 3.565 -0.909 26.881 1.00 33.12 H new ATOM 0 HG21 ILE A 56 2.825 0.654 29.994 1.00 33.56 H new ATOM 0 HG22 ILE A 56 4.320 0.965 30.414 1.00 33.56 H new ATOM 0 HG23 ILE A 56 3.670 1.718 29.181 1.00 33.56 H new ATOM 0 HD11 ILE A 56 1.267 -1.003 27.233 1.00 33.95 H new ATOM 0 HD12 ILE A 56 1.999 -1.845 28.357 1.00 33.95 H new ATOM 0 HD13 ILE A 56 1.453 -0.396 28.684 1.00 33.95 H new ATOM 348 N ASP A 57 7.003 -0.382 30.136 1.00 34.15 N ATOM 349 CA ASP A 57 7.881 -0.022 31.260 1.00 35.29 C ATOM 350 C ASP A 57 9.177 0.663 30.821 1.00 33.58 C ATOM 351 O ASP A 57 9.613 1.639 31.418 1.00 32.76 O ATOM 352 CB ASP A 57 8.203 -1.251 32.090 1.00 37.36 C ATOM 353 CG ASP A 57 6.995 -1.784 32.844 1.00 39.58 C ATOM 354 OD1 ASP A 57 6.003 -1.037 33.040 1.00 36.88 O ATOM 355 OD2 ASP A 57 7.056 -2.969 33.223 1.00 41.41 O ATOM 0 H ASP A 57 6.826 -1.221 30.069 1.00 34.15 H new ATOM 0 HA ASP A 57 7.391 0.622 31.795 1.00 35.29 H new ATOM 0 HB2 ASP A 57 8.550 -1.947 31.510 1.00 37.36 H new ATOM 0 HB3 ASP A 57 8.905 -1.034 32.723 1.00 37.36 H new ATOM 356 N LEU A 58 9.751 0.187 29.730 1.00 35.76 N ATOM 357 CA LEU A 58 10.975 0.738 29.192 1.00 37.03 C ATOM 358 C LEU A 58 10.787 2.186 28.719 1.00 36.54 C ATOM 359 O LEU A 58 11.582 3.081 29.060 1.00 35.68 O ATOM 360 CB LEU A 58 11.441 -0.180 28.058 1.00 37.87 C ATOM 361 CG LEU A 58 12.922 -0.384 27.830 1.00 44.21 C ATOM 362 CD1 LEU A 58 13.596 -0.815 29.114 1.00 45.26 C ATOM 363 CD2 LEU A 58 13.156 -1.424 26.722 1.00 40.92 C ATOM 0 H LEU A 58 9.436 -0.473 29.277 1.00 35.76 H new ATOM 0 HA LEU A 58 11.654 0.776 29.883 1.00 37.03 H new ATOM 0 HB2 LEU A 58 11.047 -1.053 28.210 1.00 37.87 H new ATOM 0 HB3 LEU A 58 11.064 0.162 27.233 1.00 37.87 H new ATOM 0 HG LEU A 58 13.311 0.458 27.546 1.00 44.21 H new ATOM 0 HD11 LEU A 58 14.544 -0.942 28.955 1.00 45.26 H new ATOM 0 HD12 LEU A 58 13.471 -0.131 29.791 1.00 45.26 H new ATOM 0 HD13 LEU A 58 13.205 -1.648 29.421 1.00 45.26 H new ATOM 0 HD21 LEU A 58 14.109 -1.544 26.587 1.00 40.92 H new ATOM 0 HD22 LEU A 58 12.757 -2.269 26.982 1.00 40.92 H new ATOM 0 HD23 LEU A 58 12.749 -1.115 25.897 1.00 40.92 H new ATOM 364 N ILE A 59 9.708 2.446 27.980 1.00 34.11 N ATOM 365 CA ILE A 59 9.408 3.815 27.516 1.00 33.83 C ATOM 366 C ILE A 59 8.972 4.747 28.668 1.00 34.97 C ATOM 367 O ILE A 59 9.441 5.888 28.759 1.00 35.03 O ATOM 368 CB ILE A 59 8.371 3.793 26.383 1.00 32.98 C ATOM 369 CG1 ILE A 59 8.851 2.878 25.254 1.00 32.17 C ATOM 370 CG2 ILE A 59 8.127 5.201 25.825 1.00 31.80 C ATOM 371 CD1 ILE A 59 10.320 3.158 24.774 1.00 34.35 C ATOM 0 H ILE A 59 9.137 1.852 27.735 1.00 34.11 H new ATOM 0 HA ILE A 59 10.233 4.185 27.163 1.00 33.83 H new ATOM 0 HB ILE A 59 7.538 3.457 26.748 1.00 32.98 H new ATOM 0 HG12 ILE A 59 8.789 1.957 25.551 1.00 32.17 H new ATOM 0 HG13 ILE A 59 8.251 2.973 24.498 1.00 32.17 H new ATOM 0 HG21 ILE A 59 7.470 5.158 25.113 1.00 31.80 H new ATOM 0 HG22 ILE A 59 7.799 5.777 26.533 1.00 31.80 H new ATOM 0 HG23 ILE A 59 8.958 5.559 25.476 1.00 31.80 H new ATOM 0 HD11 ILE A 59 10.551 2.542 24.061 1.00 34.35 H new ATOM 0 HD12 ILE A 59 10.386 4.069 24.447 1.00 34.35 H new ATOM 0 HD13 ILE A 59 10.932 3.036 25.517 1.00 34.35 H new ATOM 372 N GLU A 60 8.105 4.255 29.567 1.00 35.16 N ATOM 373 CA GLU A 60 7.731 5.011 30.755 1.00 35.51 C ATOM 374 C GLU A 60 8.954 5.380 31.598 1.00 36.08 C ATOM 375 O GLU A 60 9.042 6.489 32.089 1.00 34.15 O ATOM 376 CB GLU A 60 6.667 4.268 31.579 1.00 35.03 C ATOM 377 CG GLU A 60 5.338 4.257 30.809 1.00 41.17 C ATOM 378 CD GLU A 60 4.108 3.858 31.624 1.00 39.01 C ATOM 379 OE1 GLU A 60 4.246 3.116 32.625 1.00 39.12 O ATOM 380 OE2 GLU A 60 2.990 4.269 31.195 1.00 44.41 O ATOM 0 H GLU A 60 7.727 3.485 29.500 1.00 35.16 H new ATOM 0 HA GLU A 60 7.333 5.844 30.458 1.00 35.51 H new ATOM 0 HB2 GLU A 60 6.957 3.359 31.756 1.00 35.03 H new ATOM 0 HB3 GLU A 60 6.550 4.701 32.439 1.00 35.03 H new ATOM 0 HG2 GLU A 60 5.189 5.142 30.440 1.00 41.17 H new ATOM 0 HG3 GLU A 60 5.422 3.647 30.059 1.00 41.17 H new ATOM 381 N GLY A 61 9.916 4.473 31.722 1.00 34.89 N ATOM 382 CA GLY A 61 11.140 4.762 32.464 1.00 34.31 C ATOM 383 C GLY A 61 11.965 5.900 31.885 1.00 34.65 C ATOM 384 O GLY A 61 12.665 6.599 32.621 1.00 32.70 O ATOM 0 H GLY A 61 9.881 3.683 31.384 1.00 34.89 H new ATOM 0 HA2 GLY A 61 10.907 4.978 33.381 1.00 34.31 H new ATOM 0 HA3 GLY A 61 11.686 3.961 32.491 1.00 34.31 H new ATOM 385 N ALA A 62 11.886 6.084 30.570 1.00 35.19 N ATOM 386 CA ALA A 62 12.583 7.160 29.875 1.00 35.16 C ATOM 387 C ALA A 62 11.815 8.460 29.988 1.00 36.70 C ATOM 388 O ALA A 62 12.377 9.537 29.839 1.00 38.52 O ATOM 389 CB ALA A 62 12.778 6.777 28.391 1.00 33.59 C ATOM 0 H ALA A 62 11.420 5.581 30.051 1.00 35.19 H new ATOM 0 HA ALA A 62 13.451 7.289 30.289 1.00 35.16 H new ATOM 0 HB1 ALA A 62 13.242 7.493 27.930 1.00 33.59 H new ATOM 0 HB2 ALA A 62 13.302 5.963 28.333 1.00 33.59 H new ATOM 0 HB3 ALA A 62 11.912 6.634 27.977 1.00 33.59 H new ATOM 390 N GLY A 63 10.514 8.362 30.219 1.00 37.25 N ATOM 391 CA GLY A 63 9.668 9.531 30.349 1.00 35.49 C ATOM 392 C GLY A 63 9.415 10.295 29.066 1.00 36.62 C ATOM 393 O GLY A 63 9.204 11.500 29.112 1.00 34.09 O ATOM 0 H GLY A 63 10.099 7.614 30.305 1.00 37.25 H new ATOM 0 HA2 GLY A 63 8.814 9.254 30.717 1.00 35.49 H new ATOM 0 HA3 GLY A 63 10.072 10.134 30.992 1.00 35.49 H new ATOM 394 N VAL A 64 9.423 9.599 27.929 1.00 36.27 N ATOM 395 CA VAL A 64 9.229 10.226 26.606 1.00 35.49 C ATOM 396 C VAL A 64 7.853 9.886 25.997 1.00 35.32 C ATOM 397 O VAL A 64 7.171 8.938 26.430 1.00 34.89 O ATOM 398 CB VAL A 64 10.352 9.765 25.602 1.00 34.72 C ATOM 399 CG1 VAL A 64 11.738 10.017 26.188 1.00 36.56 C ATOM 400 CG2 VAL A 64 10.230 8.254 25.240 1.00 35.56 C ATOM 0 H VAL A 64 9.541 8.748 27.897 1.00 36.27 H new ATOM 0 HA VAL A 64 9.278 11.185 26.745 1.00 35.49 H new ATOM 0 HB VAL A 64 10.232 10.289 24.794 1.00 34.72 H new ATOM 0 HG11 VAL A 64 12.414 9.727 25.556 1.00 36.56 H new ATOM 0 HG12 VAL A 64 11.847 10.964 26.366 1.00 36.56 H new ATOM 0 HG13 VAL A 64 11.835 9.520 27.015 1.00 36.56 H new ATOM 0 HG21 VAL A 64 10.937 8.011 24.622 1.00 35.56 H new ATOM 0 HG22 VAL A 64 10.308 7.721 26.046 1.00 35.56 H new ATOM 0 HG23 VAL A 64 9.368 8.089 24.826 1.00 35.56 H new ATOM 401 N CYS A 65 7.464 10.676 25.001 1.00 33.66 N ATOM 402 CA CYS A 65 6.263 10.439 24.199 1.00 34.38 C ATOM 403 C CYS A 65 6.434 9.209 23.322 1.00 34.55 C ATOM 404 O CYS A 65 7.551 8.834 22.969 1.00 33.91 O ATOM 405 CB CYS A 65 5.997 11.619 23.253 1.00 35.63 C ATOM 406 SG CYS A 65 5.365 13.086 24.054 1.00 39.32 S ATOM 0 H CYS A 65 7.899 11.380 24.766 1.00 33.66 H new ATOM 0 HA CYS A 65 5.529 10.322 24.822 1.00 34.38 H new ATOM 0 HB2 CYS A 65 6.822 11.844 22.796 1.00 35.63 H new ATOM 0 HB3 CYS A 65 5.364 11.338 22.574 1.00 35.63 H new ATOM 0 HG CYS A 65 4.353 12.818 24.641 1.00 39.32 H new ATOM 407 N ALA A 66 5.313 8.598 22.945 1.00 33.14 N ATOM 408 CA ALA A 66 5.329 7.475 22.031 1.00 32.63 C ATOM 409 C ALA A 66 3.915 7.225 21.505 1.00 35.90 C ATOM 410 O ALA A 66 2.934 7.652 22.113 1.00 31.56 O ATOM 411 CB ALA A 66 5.929 6.209 22.702 1.00 32.10 C ATOM 0 H ALA A 66 4.528 8.826 23.214 1.00 33.14 H new ATOM 0 HA ALA A 66 5.904 7.687 21.279 1.00 32.63 H new ATOM 0 HB1 ALA A 66 5.927 5.475 22.068 1.00 32.10 H new ATOM 0 HB2 ALA A 66 6.840 6.392 22.982 1.00 32.10 H new ATOM 0 HB3 ALA A 66 5.396 5.969 23.476 1.00 32.10 H new ATOM 412 N THR A 67 3.823 6.580 20.349 1.00 33.57 N ATOM 413 CA THR A 67 2.535 6.247 19.746 1.00 33.64 C ATOM 414 C THR A 67 2.462 4.726 19.609 1.00 33.18 C ATOM 415 O THR A 67 3.430 4.103 19.206 1.00 33.80 O ATOM 416 CB THR A 67 2.400 6.900 18.394 1.00 33.27 C ATOM 417 OG1 THR A 67 2.652 8.305 18.534 1.00 34.25 O ATOM 418 CG2 THR A 67 1.008 6.659 17.822 1.00 35.26 C ATOM 0 H THR A 67 4.504 6.322 19.891 1.00 33.57 H new ATOM 0 HA THR A 67 1.811 6.572 20.304 1.00 33.64 H new ATOM 0 HB THR A 67 3.044 6.514 17.779 1.00 33.27 H new ATOM 0 HG1 THR A 67 3.478 8.448 18.482 1.00 34.25 H new ATOM 0 HG21 THR A 67 0.937 7.085 16.953 1.00 35.26 H new ATOM 0 HG22 THR A 67 0.857 5.705 17.728 1.00 35.26 H new ATOM 0 HG23 THR A 67 0.343 7.033 18.420 1.00 35.26 H new ATOM 419 N TRP A 68 1.305 4.145 19.928 1.00 33.09 N ATOM 420 CA TRP A 68 1.156 2.678 20.035 1.00 32.37 C ATOM 421 C TRP A 68 0.034 2.256 19.134 1.00 33.58 C ATOM 422 O TRP A 68 -1.092 2.758 19.280 1.00 34.16 O ATOM 423 CB TRP A 68 0.812 2.279 21.497 1.00 30.54 C ATOM 424 CG TRP A 68 1.852 2.755 22.489 1.00 30.91 C ATOM 425 CD1 TRP A 68 2.011 4.022 22.938 1.00 30.49 C ATOM 426 CD2 TRP A 68 2.914 1.990 23.075 1.00 29.93 C ATOM 427 NE1 TRP A 68 3.054 4.096 23.809 1.00 32.57 N ATOM 428 CE2 TRP A 68 3.639 2.863 23.906 1.00 32.15 C ATOM 429 CE3 TRP A 68 3.278 0.644 23.032 1.00 30.76 C ATOM 430 CZ2 TRP A 68 4.758 2.456 24.629 1.00 31.71 C ATOM 431 CZ3 TRP A 68 4.396 0.229 23.753 1.00 30.26 C ATOM 432 CH2 TRP A 68 5.110 1.137 24.561 1.00 35.73 C ATOM 0 H TRP A 68 0.583 4.583 20.089 1.00 33.09 H new ATOM 0 HA TRP A 68 1.985 2.245 19.780 1.00 32.37 H new ATOM 0 HB2 TRP A 68 -0.052 2.650 21.736 1.00 30.54 H new ATOM 0 HB3 TRP A 68 0.732 1.314 21.555 1.00 30.54 H new ATOM 0 HD1 TRP A 68 1.480 4.743 22.686 1.00 30.49 H new ATOM 0 HE1 TRP A 68 3.305 4.803 24.230 1.00 32.57 H new ATOM 0 HE3 TRP A 68 2.784 0.035 22.532 1.00 30.76 H new ATOM 0 HZ2 TRP A 68 5.248 3.060 25.139 1.00 31.71 H new ATOM 0 HZ3 TRP A 68 4.674 -0.657 23.701 1.00 30.26 H new ATOM 0 HH2 TRP A 68 5.835 0.833 25.058 1.00 35.73 H new ATOM 433 N PHE A 69 0.306 1.345 18.210 1.00 31.51 N ATOM 434 CA PHE A 69 -0.742 0.896 17.291 1.00 32.24 C ATOM 435 C PHE A 69 -1.319 -0.446 17.752 1.00 32.71 C ATOM 436 O PHE A 69 -0.632 -1.459 17.742 1.00 31.49 O ATOM 437 CB PHE A 69 -0.221 0.866 15.861 1.00 32.30 C ATOM 438 CG PHE A 69 0.131 2.212 15.332 1.00 31.55 C ATOM 439 CD1 PHE A 69 -0.864 3.132 14.990 1.00 34.48 C ATOM 440 CD2 PHE A 69 1.448 2.565 15.119 1.00 36.40 C ATOM 441 CE1 PHE A 69 -0.524 4.349 14.491 1.00 32.55 C ATOM 442 CE2 PHE A 69 1.763 3.795 14.606 1.00 35.32 C ATOM 443 CZ PHE A 69 0.779 4.690 14.312 1.00 35.24 C ATOM 0 H PHE A 69 1.075 0.977 18.095 1.00 31.51 H new ATOM 0 HA PHE A 69 -1.476 1.530 17.303 1.00 32.24 H new ATOM 0 HB2 PHE A 69 0.562 0.295 15.821 1.00 32.30 H new ATOM 0 HB3 PHE A 69 -0.893 0.466 15.287 1.00 32.30 H new ATOM 0 HD1 PHE A 69 -1.760 2.911 15.104 1.00 34.48 H new ATOM 0 HD2 PHE A 69 2.126 1.963 15.325 1.00 36.40 H new ATOM 0 HE1 PHE A 69 -1.192 4.957 14.269 1.00 32.55 H new ATOM 0 HE2 PHE A 69 2.653 4.020 14.458 1.00 35.32 H new ATOM 0 HZ PHE A 69 0.999 5.534 13.989 1.00 35.24 H new ATOM 444 N ALA A 70 -2.585 -0.419 18.188 1.00 31.64 N ATOM 445 CA ALA A 70 -3.205 -1.588 18.838 1.00 31.63 C ATOM 446 C ALA A 70 -3.752 -2.607 17.852 1.00 34.29 C ATOM 447 O ALA A 70 -4.407 -2.255 16.847 1.00 33.02 O ATOM 448 CB ALA A 70 -4.344 -1.128 19.786 1.00 31.04 C ATOM 0 H ALA A 70 -3.102 0.264 18.118 1.00 31.64 H new ATOM 0 HA ALA A 70 -2.500 -2.027 19.339 1.00 31.63 H new ATOM 0 HB1 ALA A 70 -4.746 -1.903 20.209 1.00 31.04 H new ATOM 0 HB2 ALA A 70 -3.981 -0.540 20.467 1.00 31.04 H new ATOM 0 HB3 ALA A 70 -5.018 -0.653 19.275 1.00 31.04 H new ATOM 449 N THR A 71 -3.493 -3.872 18.151 1.00 33.11 N ATOM 450 CA THR A 71 -3.956 -4.987 17.344 1.00 33.69 C ATOM 451 C THR A 71 -5.161 -5.691 17.945 1.00 33.40 C ATOM 452 O THR A 71 -5.961 -6.281 17.237 1.00 31.90 O ATOM 453 CB THR A 71 -2.838 -6.047 17.161 1.00 33.30 C ATOM 454 OG1 THR A 71 -2.158 -6.278 18.411 1.00 32.65 O ATOM 455 CG2 THR A 71 -1.828 -5.602 16.104 1.00 29.03 C ATOM 0 H THR A 71 -3.036 -4.109 18.840 1.00 33.11 H new ATOM 0 HA THR A 71 -4.208 -4.599 16.491 1.00 33.69 H new ATOM 0 HB THR A 71 -3.255 -6.871 16.864 1.00 33.30 H new ATOM 0 HG1 THR A 71 -2.617 -6.794 18.889 1.00 32.65 H new ATOM 0 HG21 THR A 71 -1.140 -6.279 16.008 1.00 29.03 H new ATOM 0 HG22 THR A 71 -2.281 -5.479 15.255 1.00 29.03 H new ATOM 0 HG23 THR A 71 -1.421 -4.765 16.377 1.00 29.03 H new ATOM 456 N HIS A 72 -5.279 -5.630 19.257 1.00 33.49 N ATOM 457 CA HIS A 72 -6.241 -6.471 19.952 1.00 33.66 C ATOM 458 C HIS A 72 -6.591 -5.873 21.293 1.00 33.02 C ATOM 459 O HIS A 72 -5.953 -4.933 21.760 1.00 32.97 O ATOM 460 CB HIS A 72 -5.633 -7.851 20.111 1.00 36.46 C ATOM 461 CG HIS A 72 -4.465 -7.878 21.035 1.00 28.24 C ATOM 462 ND1 HIS A 72 -3.185 -7.551 20.626 1.00 30.96 N ATOM 463 CD2 HIS A 72 -4.380 -8.166 22.356 1.00 36.07 C ATOM 464 CE1 HIS A 72 -2.364 -7.664 21.656 1.00 31.86 C ATOM 465 NE2 HIS A 72 -3.066 -8.004 22.722 1.00 32.95 N ATOM 0 H HIS A 72 -4.816 -5.113 19.765 1.00 33.49 H new ATOM 0 HA HIS A 72 -7.063 -6.535 19.442 1.00 33.66 H new ATOM 0 HB2 HIS A 72 -6.312 -8.461 20.440 1.00 36.46 H new ATOM 0 HB3 HIS A 72 -5.356 -8.178 19.241 1.00 36.46 H new ATOM 0 HD2 HIS A 72 -5.080 -8.425 22.911 1.00 36.07 H new ATOM 0 HE1 HIS A 72 -1.444 -7.527 21.634 1.00 31.86 H new ATOM 0 HE2 HIS A 72 -2.752 -8.107 23.516 1.00 32.95 H new ATOM 466 N SER A 73 -7.635 -6.405 21.905 1.00 34.09 N ATOM 467 CA SER A 73 -8.089 -5.870 23.145 1.00 36.17 C ATOM 468 C SER A 73 -7.246 -6.443 24.285 1.00 36.29 C ATOM 469 O SER A 73 -7.022 -7.655 24.341 1.00 37.66 O ATOM 470 CB SER A 73 -9.542 -6.249 23.353 1.00 37.58 C ATOM 471 OG SER A 73 -9.959 -5.725 24.574 1.00 42.82 O ATOM 0 H SER A 73 -8.086 -7.075 21.610 1.00 34.09 H new ATOM 0 HA SER A 73 -8.003 -4.904 23.133 1.00 36.17 H new ATOM 0 HB2 SER A 73 -10.089 -5.901 22.631 1.00 37.58 H new ATOM 0 HB3 SER A 73 -9.644 -7.214 23.346 1.00 37.58 H new ATOM 0 HG SER A 73 -10.764 -5.925 24.705 1.00 42.82 H new ATOM 472 N THR A 74 -6.780 -5.561 25.171 1.00 36.28 N ATOM 473 CA THR A 74 -6.046 -5.932 26.389 1.00 35.54 C ATOM 474 C THR A 74 -6.185 -4.810 27.411 1.00 35.43 C ATOM 475 O THR A 74 -6.235 -3.634 27.051 1.00 33.73 O ATOM 476 CB THR A 74 -4.534 -6.153 26.138 1.00 36.81 C ATOM 477 OG1 THR A 74 -3.833 -6.030 27.391 1.00 36.28 O ATOM 478 CG2 THR A 74 -3.969 -5.131 25.140 1.00 32.09 C ATOM 0 H THR A 74 -6.883 -4.712 25.081 1.00 36.28 H new ATOM 0 HA THR A 74 -6.427 -6.766 26.705 1.00 35.54 H new ATOM 0 HB THR A 74 -4.413 -7.038 25.760 1.00 36.81 H new ATOM 0 HG1 THR A 74 -3.285 -6.662 27.469 1.00 36.28 H new ATOM 0 HG21 THR A 74 -3.023 -5.298 25.006 1.00 32.09 H new ATOM 0 HG22 THR A 74 -4.434 -5.214 24.293 1.00 32.09 H new ATOM 0 HG23 THR A 74 -4.093 -4.235 25.490 1.00 32.09 H new ATOM 479 N PRO A 75 -6.253 -5.154 28.697 1.00 35.60 N ATOM 480 CA PRO A 75 -6.330 -4.067 29.668 1.00 35.02 C ATOM 481 C PRO A 75 -5.135 -3.101 29.630 1.00 35.85 C ATOM 482 O PRO A 75 -5.249 -1.976 30.114 1.00 34.56 O ATOM 483 CB PRO A 75 -6.432 -4.796 31.013 1.00 37.08 C ATOM 484 CG PRO A 75 -6.020 -6.195 30.739 1.00 39.68 C ATOM 485 CD PRO A 75 -6.317 -6.480 29.329 1.00 36.10 C ATOM 0 HA PRO A 75 -7.083 -3.484 29.483 1.00 35.02 H new ATOM 0 HB2 PRO A 75 -5.856 -4.386 31.677 1.00 37.08 H new ATOM 0 HB3 PRO A 75 -7.336 -4.760 31.362 1.00 37.08 H new ATOM 0 HG2 PRO A 75 -5.074 -6.312 30.918 1.00 39.68 H new ATOM 0 HG3 PRO A 75 -6.497 -6.810 31.318 1.00 39.68 H new ATOM 0 HD2 PRO A 75 -5.671 -7.092 28.943 1.00 36.10 H new ATOM 0 HD3 PRO A 75 -7.191 -6.886 29.222 1.00 36.10 H new ATOM 486 N LEU A 76 -4.023 -3.502 29.010 1.00 34.09 N ATOM 487 CA LEU A 76 -2.862 -2.643 28.931 1.00 34.59 C ATOM 488 C LEU A 76 -3.087 -1.436 28.021 1.00 34.86 C ATOM 489 O LEU A 76 -2.383 -0.439 28.138 1.00 35.77 O ATOM 490 CB LEU A 76 -1.628 -3.443 28.500 1.00 35.30 C ATOM 491 CG LEU A 76 -1.169 -4.535 29.472 1.00 35.32 C ATOM 492 CD1 LEU A 76 0.091 -5.224 28.982 1.00 33.99 C ATOM 493 CD2 LEU A 76 -0.960 -3.960 30.816 1.00 39.31 C ATOM 0 H LEU A 76 -3.929 -4.269 28.632 1.00 34.09 H new ATOM 0 HA LEU A 76 -2.705 -2.290 29.821 1.00 34.59 H new ATOM 0 HB2 LEU A 76 -1.814 -3.855 27.642 1.00 35.30 H new ATOM 0 HB3 LEU A 76 -0.893 -2.824 28.365 1.00 35.30 H new ATOM 0 HG LEU A 76 -1.867 -5.207 29.521 1.00 35.32 H new ATOM 0 HD11 LEU A 76 0.354 -5.908 29.618 1.00 33.99 H new ATOM 0 HD12 LEU A 76 -0.079 -5.634 28.119 1.00 33.99 H new ATOM 0 HD13 LEU A 76 0.804 -4.572 28.895 1.00 33.99 H new ATOM 0 HD21 LEU A 76 -0.670 -4.657 31.425 1.00 39.31 H new ATOM 0 HD22 LEU A 76 -0.282 -3.268 30.770 1.00 39.31 H new ATOM 0 HD23 LEU A 76 -1.791 -3.576 31.137 1.00 39.31 H new ATOM 494 N LEU A 77 -4.078 -1.498 27.141 1.00 36.47 N ATOM 495 CA LEU A 77 -4.419 -0.328 26.343 1.00 36.20 C ATOM 496 C LEU A 77 -4.834 0.833 27.252 1.00 36.01 C ATOM 497 O LEU A 77 -4.595 1.995 26.937 1.00 35.74 O ATOM 498 CB LEU A 77 -5.530 -0.641 25.335 1.00 36.53 C ATOM 499 CG LEU A 77 -5.222 -1.686 24.260 1.00 34.42 C ATOM 500 CD1 LEU A 77 -6.292 -1.645 23.163 1.00 30.43 C ATOM 501 CD2 LEU A 77 -3.821 -1.498 23.673 1.00 32.41 C ATOM 0 H LEU A 77 -4.559 -2.195 26.992 1.00 36.47 H new ATOM 0 HA LEU A 77 -3.630 -0.069 25.842 1.00 36.20 H new ATOM 0 HB2 LEU A 77 -6.310 -0.938 25.829 1.00 36.53 H new ATOM 0 HB3 LEU A 77 -5.774 0.186 24.890 1.00 36.53 H new ATOM 0 HG LEU A 77 -5.239 -2.561 24.677 1.00 34.42 H new ATOM 0 HD11 LEU A 77 -6.088 -2.310 22.487 1.00 30.43 H new ATOM 0 HD12 LEU A 77 -7.161 -1.834 23.551 1.00 30.43 H new ATOM 0 HD13 LEU A 77 -6.305 -0.765 22.756 1.00 30.43 H new ATOM 0 HD21 LEU A 77 -3.660 -2.175 22.997 1.00 32.41 H new ATOM 0 HD22 LEU A 77 -3.754 -0.618 23.271 1.00 32.41 H new ATOM 0 HD23 LEU A 77 -3.160 -1.582 24.378 1.00 32.41 H new ATOM 502 N GLU A 78 -5.435 0.519 28.391 1.00 37.21 N ATOM 503 CA GLU A 78 -5.828 1.553 29.349 1.00 39.35 C ATOM 504 C GLU A 78 -4.599 2.254 29.963 1.00 38.18 C ATOM 505 O GLU A 78 -4.649 3.447 30.224 1.00 37.88 O ATOM 506 CB GLU A 78 -6.763 0.960 30.420 1.00 39.35 C ATOM 507 CG GLU A 78 -7.480 1.993 31.295 1.00 46.56 C ATOM 508 CD GLU A 78 -8.174 3.109 30.499 1.00 55.95 C ATOM 509 OE1 GLU A 78 -8.765 2.826 29.431 1.00 50.98 O ATOM 510 OE2 GLU A 78 -8.128 4.276 30.951 1.00 62.36 O ATOM 0 H GLU A 78 -5.626 -0.284 28.632 1.00 37.21 H new ATOM 0 HA GLU A 78 -6.323 2.240 28.876 1.00 39.35 H new ATOM 0 HB2 GLU A 78 -7.430 0.410 29.980 1.00 39.35 H new ATOM 0 HB3 GLU A 78 -6.245 0.373 30.993 1.00 39.35 H new ATOM 0 HG2 GLU A 78 -8.141 1.539 31.841 1.00 46.56 H new ATOM 0 HG3 GLU A 78 -6.837 2.392 31.901 1.00 46.56 H new ATOM 511 N ASN A 79 -3.492 1.529 30.143 1.00 37.65 N ATOM 512 CA ASN A 79 -2.230 2.144 30.587 1.00 38.94 C ATOM 513 C ASN A 79 -1.775 3.201 29.579 1.00 37.91 C ATOM 514 O ASN A 79 -1.349 4.290 29.938 1.00 37.61 O ATOM 515 CB ASN A 79 -1.074 1.125 30.684 1.00 41.23 C ATOM 516 CG ASN A 79 -1.337 -0.008 31.660 1.00 43.73 C ATOM 517 OD1 ASN A 79 -2.462 -0.245 32.063 1.00 54.70 O ATOM 518 ND2 ASN A 79 -0.279 -0.727 32.031 1.00 54.76 N ATOM 0 H ASN A 79 -3.448 0.680 30.014 1.00 37.65 H new ATOM 0 HA ASN A 79 -2.414 2.521 31.462 1.00 38.94 H new ATOM 0 HB2 ASN A 79 -0.909 0.751 29.804 1.00 41.23 H new ATOM 0 HB3 ASN A 79 -0.266 1.590 30.951 1.00 41.23 H new ATOM 0 HD21 ASN A 79 -0.376 -1.386 32.575 1.00 54.76 H new ATOM 0 HD22 ASN A 79 0.501 -0.532 31.727 1.00 54.76 H new ATOM 519 N ILE A 80 -1.858 2.841 28.308 1.00 35.98 N ATOM 520 CA ILE A 80 -1.462 3.710 27.211 1.00 37.21 C ATOM 521 C ILE A 80 -2.389 4.930 27.150 1.00 38.10 C ATOM 522 O ILE A 80 -1.929 6.068 27.061 1.00 38.79 O ATOM 523 CB ILE A 80 -1.474 2.913 25.889 1.00 36.48 C ATOM 524 CG1 ILE A 80 -0.390 1.813 25.950 1.00 39.35 C ATOM 525 CG2 ILE A 80 -1.308 3.865 24.669 1.00 35.17 C ATOM 526 CD1 ILE A 80 -0.468 0.738 24.875 1.00 39.46 C ATOM 0 H ILE A 80 -2.150 2.073 28.054 1.00 35.98 H new ATOM 0 HA ILE A 80 -0.559 4.035 27.356 1.00 37.21 H new ATOM 0 HB ILE A 80 -2.332 2.475 25.771 1.00 36.48 H new ATOM 0 HG12 ILE A 80 0.480 2.238 25.895 1.00 39.35 H new ATOM 0 HG13 ILE A 80 -0.440 1.382 26.818 1.00 39.35 H new ATOM 0 HG21 ILE A 80 -1.318 3.346 23.850 1.00 35.17 H new ATOM 0 HG22 ILE A 80 -2.038 4.504 24.655 1.00 35.17 H new ATOM 0 HG23 ILE A 80 -0.465 4.339 24.741 1.00 35.17 H new ATOM 0 HD11 ILE A 80 0.252 0.100 25.002 1.00 39.46 H new ATOM 0 HD12 ILE A 80 -1.320 0.279 24.937 1.00 39.46 H new ATOM 0 HD13 ILE A 80 -0.385 1.148 24.000 1.00 39.46 H new ATOM 527 N ARG A 81 -3.698 4.710 27.213 1.00 40.26 N ATOM 528 CA ARG A 81 -4.634 5.841 27.233 1.00 41.35 C ATOM 529 C ARG A 81 -4.330 6.817 28.379 1.00 39.89 C ATOM 530 O ARG A 81 -4.267 8.020 28.163 1.00 36.24 O ATOM 531 CB ARG A 81 -6.081 5.360 27.377 1.00 43.91 C ATOM 532 CG ARG A 81 -6.653 4.690 26.144 1.00 49.63 C ATOM 533 CD ARG A 81 -8.161 4.420 26.301 1.00 49.67 C ATOM 534 NE ARG A 81 -8.606 3.305 25.449 1.00 61.18 N ATOM 535 CZ ARG A 81 -8.669 2.019 25.820 1.00 60.20 C ATOM 536 NH1 ARG A 81 -8.328 1.635 27.043 1.00 60.96 N ATOM 537 NH2 ARG A 81 -9.081 1.097 24.952 1.00 61.58 N ATOM 0 H ARG A 81 -4.064 3.932 27.245 1.00 40.26 H new ATOM 0 HA ARG A 81 -4.522 6.301 26.386 1.00 41.35 H new ATOM 0 HB2 ARG A 81 -6.129 4.738 28.120 1.00 43.91 H new ATOM 0 HB3 ARG A 81 -6.640 6.119 27.606 1.00 43.91 H new ATOM 0 HG2 ARG A 81 -6.502 5.253 25.368 1.00 49.63 H new ATOM 0 HG3 ARG A 81 -6.188 3.854 25.983 1.00 49.63 H new ATOM 0 HD2 ARG A 81 -8.359 4.218 27.229 1.00 49.67 H new ATOM 0 HD3 ARG A 81 -8.659 5.221 26.073 1.00 49.67 H new ATOM 0 HE ARG A 81 -8.846 3.495 24.645 1.00 61.18 H new ATOM 0 HH11 ARG A 81 -8.060 2.216 27.617 1.00 60.96 H new ATOM 0 HH12 ARG A 81 -8.375 0.805 27.262 1.00 60.96 H new ATOM 0 HH21 ARG A 81 -9.306 1.327 24.155 1.00 61.58 H new ATOM 0 HH22 ARG A 81 -9.122 0.271 25.189 1.00 61.58 H new ATOM 538 N ARG A 82 -4.172 6.296 29.596 1.00 37.31 N ATOM 539 CA ARG A 82 -3.912 7.133 30.780 1.00 38.84 C ATOM 540 C ARG A 82 -2.696 8.023 30.680 1.00 37.68 C ATOM 541 O ARG A 82 -2.694 9.156 31.167 1.00 37.53 O ATOM 542 CB ARG A 82 -3.670 6.269 32.025 1.00 39.79 C ATOM 543 CG ARG A 82 -4.882 5.837 32.738 1.00 43.04 C ATOM 544 CD ARG A 82 -4.509 5.332 34.116 1.00 44.09 C ATOM 545 NE ARG A 82 -3.529 4.251 34.053 1.00 42.51 N ATOM 546 CZ ARG A 82 -3.833 2.956 33.985 1.00 49.39 C ATOM 547 NH1 ARG A 82 -5.096 2.553 33.967 1.00 52.89 N ATOM 548 NH2 ARG A 82 -2.864 2.044 33.932 1.00 52.63 N ATOM 0 H ARG A 82 -4.211 5.453 29.763 1.00 37.31 H new ATOM 0 HA ARG A 82 -4.709 7.682 30.840 1.00 38.84 H new ATOM 0 HB2 ARG A 82 -3.170 5.481 31.761 1.00 39.79 H new ATOM 0 HB3 ARG A 82 -3.110 6.766 32.642 1.00 39.79 H new ATOM 0 HG2 ARG A 82 -5.505 6.577 32.812 1.00 43.04 H new ATOM 0 HG3 ARG A 82 -5.330 5.137 32.238 1.00 43.04 H new ATOM 0 HD2 ARG A 82 -4.150 6.064 34.642 1.00 44.09 H new ATOM 0 HD3 ARG A 82 -5.306 5.019 34.572 1.00 44.09 H new ATOM 0 HE ARG A 82 -2.696 4.466 34.060 1.00 42.51 H new ATOM 0 HH11 ARG A 82 -5.732 3.131 33.999 1.00 52.89 H new ATOM 0 HH12 ARG A 82 -5.279 1.714 33.923 1.00 52.89 H new ATOM 0 HH21 ARG A 82 -2.040 2.291 33.942 1.00 52.63 H new ATOM 0 HH22 ARG A 82 -3.062 1.208 33.888 1.00 52.63 H new ATOM 549 N ASN A 83 -1.626 7.485 30.124 1.00 36.70 N ATOM 550 CA ASN A 83 -0.395 8.218 30.065 1.00 35.92 C ATOM 551 C ASN A 83 -0.555 9.362 29.061 1.00 36.90 C ATOM 552 O ASN A 83 -0.745 9.127 27.857 1.00 35.88 O ATOM 553 CB ASN A 83 0.755 7.277 29.680 1.00 37.93 C ATOM 554 CG ASN A 83 2.098 7.931 29.807 1.00 42.56 C ATOM 555 OD1 ASN A 83 2.227 9.151 29.625 1.00 39.11 O ATOM 556 ND2 ASN A 83 3.119 7.134 30.124 1.00 42.32 N ATOM 0 H ASN A 83 -1.598 6.698 29.778 1.00 36.70 H new ATOM 0 HA ASN A 83 -0.181 8.596 30.932 1.00 35.92 H new ATOM 0 HB2 ASN A 83 0.727 6.489 30.245 1.00 37.93 H new ATOM 0 HB3 ASN A 83 0.630 6.975 28.767 1.00 37.93 H new ATOM 0 HD21 ASN A 83 3.909 7.462 30.211 1.00 42.32 H new ATOM 0 HD22 ASN A 83 2.987 6.292 30.242 1.00 42.32 H new ATOM 557 N PRO A 84 -0.433 10.607 29.539 1.00 36.32 N ATOM 558 CA PRO A 84 -0.632 11.739 28.638 1.00 37.58 C ATOM 559 C PRO A 84 0.466 11.882 27.581 1.00 38.37 C ATOM 560 O PRO A 84 0.291 12.620 26.609 1.00 39.07 O ATOM 561 CB PRO A 84 -0.644 12.942 29.582 1.00 39.33 C ATOM 562 CG PRO A 84 0.142 12.505 30.764 1.00 40.92 C ATOM 563 CD PRO A 84 -0.080 11.038 30.906 1.00 37.79 C ATOM 0 HA PRO A 84 -1.443 11.638 28.116 1.00 37.58 H new ATOM 0 HB2 PRO A 84 -0.246 13.722 29.164 1.00 39.33 H new ATOM 0 HB3 PRO A 84 -1.549 13.185 29.831 1.00 39.33 H new ATOM 0 HG2 PRO A 84 1.084 12.701 30.643 1.00 40.92 H new ATOM 0 HG3 PRO A 84 -0.145 12.976 31.562 1.00 40.92 H new ATOM 0 HD2 PRO A 84 0.716 10.586 31.228 1.00 37.79 H new ATOM 0 HD3 PRO A 84 -0.791 10.844 31.536 1.00 37.79 H new ATOM 564 N LEU A 85 1.581 11.187 27.759 1.00 35.54 N ATOM 565 CA LEU A 85 2.658 11.226 26.780 1.00 34.97 C ATOM 566 C LEU A 85 2.466 10.183 25.682 1.00 34.40 C ATOM 567 O LEU A 85 3.207 10.172 24.689 1.00 34.59 O ATOM 568 CB LEU A 85 4.005 10.988 27.472 1.00 34.76 C ATOM 569 CG LEU A 85 4.462 11.964 28.554 1.00 38.90 C ATOM 570 CD1 LEU A 85 5.873 11.621 28.980 1.00 43.81 C ATOM 571 CD2 LEU A 85 4.369 13.391 28.076 1.00 40.76 C ATOM 0 H LEU A 85 1.734 10.686 28.441 1.00 35.54 H new ATOM 0 HA LEU A 85 2.645 12.105 26.369 1.00 34.97 H new ATOM 0 HB2 LEU A 85 3.979 10.103 27.868 1.00 34.76 H new ATOM 0 HB3 LEU A 85 4.689 10.971 26.784 1.00 34.76 H new ATOM 0 HG LEU A 85 3.873 11.881 29.320 1.00 38.90 H new ATOM 0 HD11 LEU A 85 6.163 12.241 29.667 1.00 43.81 H new ATOM 0 HD12 LEU A 85 5.895 10.717 29.331 1.00 43.81 H new ATOM 0 HD13 LEU A 85 6.467 11.685 28.216 1.00 43.81 H new ATOM 0 HD21 LEU A 85 4.664 13.988 28.781 1.00 40.76 H new ATOM 0 HD22 LEU A 85 4.933 13.508 27.296 1.00 40.76 H new ATOM 0 HD23 LEU A 85 3.450 13.595 27.844 1.00 40.76 H new ATOM 572 N PHE A 86 1.485 9.303 25.850 1.00 31.75 N ATOM 573 CA PHE A 86 1.270 8.216 24.909 1.00 34.42 C ATOM 574 C PHE A 86 0.019 8.408 24.078 1.00 33.80 C ATOM 575 O PHE A 86 -1.023 8.743 24.594 1.00 32.67 O ATOM 576 CB PHE A 86 1.149 6.878 25.639 1.00 32.66 C ATOM 577 CG PHE A 86 2.438 6.389 26.277 1.00 36.37 C ATOM 578 CD1 PHE A 86 3.662 6.986 26.017 1.00 33.94 C ATOM 579 CD2 PHE A 86 2.422 5.257 27.065 1.00 36.04 C ATOM 580 CE1 PHE A 86 4.820 6.499 26.589 1.00 34.31 C ATOM 581 CE2 PHE A 86 3.585 4.766 27.630 1.00 36.40 C ATOM 582 CZ PHE A 86 4.779 5.384 27.385 1.00 39.78 C ATOM 0 H PHE A 86 0.931 9.320 26.507 1.00 31.75 H new ATOM 0 HA PHE A 86 2.042 8.217 24.322 1.00 34.42 H new ATOM 0 HB2 PHE A 86 0.471 6.959 26.328 1.00 32.66 H new ATOM 0 HB3 PHE A 86 0.837 6.207 25.011 1.00 32.66 H new ATOM 0 HD1 PHE A 86 3.703 7.723 25.451 1.00 33.94 H new ATOM 0 HD2 PHE A 86 1.617 4.817 27.219 1.00 36.04 H new ATOM 0 HE1 PHE A 86 5.630 6.929 26.434 1.00 34.31 H new ATOM 0 HE2 PHE A 86 3.554 4.015 28.177 1.00 36.40 H new ATOM 0 HZ PHE A 86 5.562 5.049 27.758 1.00 39.78 H new ATOM 583 N GLU A 87 0.119 8.134 22.794 1.00 31.43 N ATOM 584 CA GLU A 87 -1.036 8.174 21.916 1.00 31.17 C ATOM 585 C GLU A 87 -1.372 6.730 21.532 1.00 32.62 C ATOM 586 O GLU A 87 -0.480 5.930 21.253 1.00 32.12 O ATOM 587 CB GLU A 87 -0.725 8.986 20.672 1.00 31.78 C ATOM 588 CG GLU A 87 -1.780 8.862 19.585 1.00 33.88 C ATOM 589 CD GLU A 87 -1.459 9.688 18.348 1.00 37.74 C ATOM 590 OE1 GLU A 87 -0.472 10.458 18.381 1.00 38.97 O ATOM 591 OE2 GLU A 87 -2.194 9.521 17.343 1.00 36.60 O ATOM 0 H GLU A 87 0.855 7.920 22.404 1.00 31.43 H new ATOM 0 HA GLU A 87 -1.788 8.593 22.364 1.00 31.17 H new ATOM 0 HB2 GLU A 87 -0.634 9.920 20.919 1.00 31.78 H new ATOM 0 HB3 GLU A 87 0.131 8.702 20.315 1.00 31.78 H new ATOM 0 HG2 GLU A 87 -1.868 7.930 19.331 1.00 33.88 H new ATOM 0 HG3 GLU A 87 -2.638 9.141 19.941 1.00 33.88 H new ATOM 592 N LEU A 88 -2.656 6.400 21.545 1.00 33.35 N ATOM 593 CA LEU A 88 -3.117 5.086 21.125 1.00 34.83 C ATOM 594 C LEU A 88 -3.711 5.240 19.721 1.00 34.61 C ATOM 595 O LEU A 88 -4.584 6.086 19.493 1.00 31.90 O ATOM 596 CB LEU A 88 -4.174 4.545 22.083 1.00 34.85 C ATOM 597 CG LEU A 88 -4.718 3.127 21.807 1.00 36.48 C ATOM 598 CD1 LEU A 88 -3.612 2.058 21.873 1.00 34.67 C ATOM 599 CD2 LEU A 88 -5.898 2.762 22.742 1.00 34.71 C ATOM 0 H LEU A 88 -3.284 6.931 21.797 1.00 33.35 H new ATOM 0 HA LEU A 88 -2.378 4.458 21.125 1.00 34.83 H new ATOM 0 HB2 LEU A 88 -3.801 4.555 22.978 1.00 34.85 H new ATOM 0 HB3 LEU A 88 -4.924 5.160 22.081 1.00 34.85 H new ATOM 0 HG LEU A 88 -5.058 3.139 20.899 1.00 36.48 H new ATOM 0 HD11 LEU A 88 -3.995 1.185 21.694 1.00 34.67 H new ATOM 0 HD12 LEU A 88 -2.932 2.254 21.210 1.00 34.67 H new ATOM 0 HD13 LEU A 88 -3.212 2.061 22.756 1.00 34.67 H new ATOM 0 HD21 LEU A 88 -6.209 1.867 22.536 1.00 34.71 H new ATOM 0 HD22 LEU A 88 -5.602 2.797 23.665 1.00 34.71 H new ATOM 0 HD23 LEU A 88 -6.622 3.394 22.611 1.00 34.71 H new ATOM 600 N GLY A 89 -3.212 4.431 18.793 1.00 33.91 N ATOM 601 CA GLY A 89 -3.749 4.346 17.450 1.00 32.65 C ATOM 602 C GLY A 89 -4.124 2.898 17.168 1.00 34.17 C ATOM 603 O GLY A 89 -4.117 2.044 18.083 1.00 32.84 O ATOM 0 H GLY A 89 -2.542 3.910 18.932 1.00 33.91 H new ATOM 0 HA2 GLY A 89 -4.527 4.919 17.362 1.00 32.65 H new ATOM 0 HA3 GLY A 89 -3.094 4.656 16.805 1.00 32.65 H new ATOM 604 N VAL A 90 -4.469 2.615 15.915 1.00 32.38 N ATOM 605 CA VAL A 90 -4.919 1.269 15.512 1.00 34.31 C ATOM 606 C VAL A 90 -4.010 0.615 14.489 1.00 34.59 C ATOM 607 O VAL A 90 -3.362 1.299 13.686 1.00 34.72 O ATOM 608 CB VAL A 90 -6.415 1.310 15.007 1.00 35.75 C ATOM 609 CG1 VAL A 90 -7.334 1.551 16.181 1.00 33.97 C ATOM 610 CG2 VAL A 90 -6.605 2.374 13.904 1.00 31.29 C ATOM 0 H VAL A 90 -4.452 3.188 15.274 1.00 32.38 H new ATOM 0 HA VAL A 90 -4.872 0.712 16.304 1.00 34.31 H new ATOM 0 HB VAL A 90 -6.639 0.454 14.609 1.00 35.75 H new ATOM 0 HG11 VAL A 90 -8.253 1.577 15.873 1.00 33.97 H new ATOM 0 HG12 VAL A 90 -7.230 0.834 16.826 1.00 33.97 H new ATOM 0 HG13 VAL A 90 -7.110 2.397 16.599 1.00 33.97 H new ATOM 0 HG21 VAL A 90 -7.530 2.377 13.613 1.00 31.29 H new ATOM 0 HG22 VAL A 90 -6.373 3.248 14.254 1.00 31.29 H new ATOM 0 HG23 VAL A 90 -6.031 2.166 13.151 1.00 31.29 H new ATOM 611 N HIS A 91 -3.976 -0.717 14.558 1.00 33.19 N ATOM 612 CA HIS A 91 -3.198 -1.569 13.685 1.00 33.30 C ATOM 613 C HIS A 91 -4.102 -2.651 13.071 1.00 35.48 C ATOM 614 O HIS A 91 -4.032 -3.828 13.428 1.00 33.12 O ATOM 615 CB HIS A 91 -2.049 -2.182 14.482 1.00 34.13 C ATOM 616 CG HIS A 91 -0.886 -2.632 13.653 1.00 33.21 C ATOM 617 ND1 HIS A 91 -0.161 -1.782 12.848 1.00 37.36 N ATOM 618 CD2 HIS A 91 -0.273 -3.841 13.573 1.00 38.51 C ATOM 619 CE1 HIS A 91 0.826 -2.456 12.278 1.00 34.34 C ATOM 620 NE2 HIS A 91 0.774 -3.707 12.697 1.00 34.62 N ATOM 0 H HIS A 91 -4.427 -1.159 15.142 1.00 33.19 H new ATOM 0 HA HIS A 91 -2.823 -1.051 12.956 1.00 33.30 H new ATOM 0 HB2 HIS A 91 -1.737 -1.531 15.130 1.00 34.13 H new ATOM 0 HB3 HIS A 91 -2.387 -2.941 14.983 1.00 34.13 H new ATOM 0 HD1 HIS A 91 -0.324 -0.945 12.733 1.00 37.36 H new ATOM 0 HD2 HIS A 91 -0.517 -4.615 14.027 1.00 38.51 H new ATOM 0 HE1 HIS A 91 1.450 -2.107 11.683 1.00 34.34 H new ATOM 621 N PRO A 92 -4.951 -2.248 12.120 1.00 34.90 N ATOM 622 CA PRO A 92 -5.884 -3.163 11.478 1.00 33.92 C ATOM 623 C PRO A 92 -5.137 -4.198 10.634 1.00 34.75 C ATOM 624 O PRO A 92 -4.082 -3.884 10.055 1.00 35.32 O ATOM 625 CB PRO A 92 -6.708 -2.233 10.572 1.00 35.41 C ATOM 626 CG PRO A 92 -5.796 -1.135 10.256 1.00 34.26 C ATOM 627 CD PRO A 92 -5.048 -0.891 11.541 1.00 32.76 C ATOM 0 HA PRO A 92 -6.420 -3.666 12.111 1.00 33.92 H new ATOM 0 HB2 PRO A 92 -7.002 -2.691 9.769 1.00 35.41 H new ATOM 0 HB3 PRO A 92 -7.504 -1.913 11.024 1.00 35.41 H new ATOM 0 HG2 PRO A 92 -5.192 -1.373 9.535 1.00 34.26 H new ATOM 0 HG3 PRO A 92 -6.280 -0.344 9.972 1.00 34.26 H new ATOM 0 HD2 PRO A 92 -4.173 -0.504 11.381 1.00 32.76 H new ATOM 0 HD3 PRO A 92 -5.525 -0.282 12.126 1.00 32.76 H new ATOM 628 N ASN A 93 -5.690 -5.411 10.576 1.00 35.52 N ATOM 629 CA ASN A 93 -5.101 -6.502 9.822 1.00 35.76 C ATOM 630 C ASN A 93 -5.940 -6.921 8.637 1.00 36.46 C ATOM 631 O ASN A 93 -6.957 -7.636 8.792 1.00 32.48 O ATOM 632 CB ASN A 93 -4.918 -7.711 10.716 1.00 37.20 C ATOM 633 CG ASN A 93 -4.222 -8.851 10.001 1.00 39.30 C ATOM 634 OD1 ASN A 93 -3.567 -8.668 8.965 1.00 36.60 O ATOM 635 ND2 ASN A 93 -4.325 -10.024 10.575 1.00 36.10 N ATOM 0 H ASN A 93 -6.422 -5.619 10.978 1.00 35.52 H new ATOM 0 HA ASN A 93 -4.250 -6.174 9.492 1.00 35.76 H new ATOM 0 HB2 ASN A 93 -4.402 -7.458 11.497 1.00 37.20 H new ATOM 0 HB3 ASN A 93 -5.784 -8.011 11.033 1.00 37.20 H new ATOM 0 HD21 ASN A 93 -3.929 -10.706 10.233 1.00 36.10 H new ATOM 0 HD22 ASN A 93 -4.789 -10.112 11.294 1.00 36.10 H new ATOM 636 N PHE A 94 -5.524 -6.472 7.452 1.00 32.12 N ATOM 637 CA PHE A 94 -6.247 -6.773 6.231 1.00 34.37 C ATOM 638 C PHE A 94 -5.634 -7.932 5.452 1.00 34.70 C ATOM 639 O PHE A 94 -6.149 -8.275 4.387 1.00 37.63 O ATOM 640 CB PHE A 94 -6.303 -5.549 5.313 1.00 33.75 C ATOM 641 CG PHE A 94 -6.868 -4.297 5.958 1.00 32.69 C ATOM 642 CD1 PHE A 94 -8.177 -4.257 6.424 1.00 35.75 C ATOM 643 CD2 PHE A 94 -6.095 -3.135 6.034 1.00 32.73 C ATOM 644 CE1 PHE A 94 -8.704 -3.093 6.999 1.00 33.55 C ATOM 645 CE2 PHE A 94 -6.624 -1.963 6.584 1.00 33.98 C ATOM 646 CZ PHE A 94 -7.926 -1.941 7.077 1.00 35.40 C ATOM 0 H PHE A 94 -4.821 -5.989 7.340 1.00 32.12 H new ATOM 0 HA PHE A 94 -7.141 -7.029 6.509 1.00 34.37 H new ATOM 0 HB2 PHE A 94 -5.407 -5.358 4.995 1.00 33.75 H new ATOM 0 HB3 PHE A 94 -6.840 -5.768 4.535 1.00 33.75 H new ATOM 0 HD1 PHE A 94 -8.711 -5.015 6.353 1.00 35.75 H new ATOM 0 HD2 PHE A 94 -5.221 -3.141 5.716 1.00 32.73 H new ATOM 0 HE1 PHE A 94 -9.574 -3.090 7.329 1.00 33.55 H new ATOM 0 HE2 PHE A 94 -6.103 -1.194 6.621 1.00 33.98 H new ATOM 0 HZ PHE A 94 -8.272 -1.165 7.454 1.00 35.40 H new ATOM 647 N ASN A 95 -4.600 -8.569 6.000 1.00 34.52 N ATOM 648 CA ASN A 95 -3.945 -9.698 5.335 1.00 35.76 C ATOM 649 C ASN A 95 -4.888 -10.820 4.935 1.00 36.34 C ATOM 650 O ASN A 95 -4.768 -11.359 3.843 1.00 39.77 O ATOM 651 CB ASN A 95 -2.792 -10.274 6.187 1.00 35.48 C ATOM 652 CG ASN A 95 -1.510 -9.485 6.052 1.00 39.96 C ATOM 653 OD1 ASN A 95 -1.340 -8.694 5.108 1.00 41.97 O ATOM 654 ND2 ASN A 95 -0.580 -9.699 6.996 1.00 42.42 N ATOM 0 H ASN A 95 -4.260 -8.362 6.762 1.00 34.52 H new ATOM 0 HA ASN A 95 -3.590 -9.322 4.515 1.00 35.76 H new ATOM 0 HB2 ASN A 95 -3.061 -10.289 7.119 1.00 35.48 H new ATOM 0 HB3 ASN A 95 -2.630 -11.193 5.924 1.00 35.48 H new ATOM 0 HD21 ASN A 95 0.171 -9.281 6.963 1.00 42.42 H new ATOM 0 HD22 ASN A 95 -0.735 -10.255 7.634 1.00 42.42 H new ATOM 655 N PRO A 96 -5.839 -11.182 5.797 1.00 35.40 N ATOM 656 CA PRO A 96 -6.759 -12.256 5.366 1.00 37.30 C ATOM 657 C PRO A 96 -7.504 -11.964 4.058 1.00 38.15 C ATOM 658 O PRO A 96 -7.925 -12.877 3.360 1.00 36.77 O ATOM 659 CB PRO A 96 -7.745 -12.352 6.532 1.00 37.26 C ATOM 660 CG PRO A 96 -6.946 -11.843 7.725 1.00 36.91 C ATOM 661 CD PRO A 96 -6.118 -10.734 7.174 1.00 35.76 C ATOM 0 HA PRO A 96 -6.273 -13.073 5.174 1.00 37.30 H new ATOM 0 HB2 PRO A 96 -8.535 -11.811 6.376 1.00 37.26 H new ATOM 0 HB3 PRO A 96 -8.047 -13.263 6.669 1.00 37.26 H new ATOM 0 HG2 PRO A 96 -7.530 -11.529 8.433 1.00 36.91 H new ATOM 0 HG3 PRO A 96 -6.392 -12.543 8.103 1.00 36.91 H new ATOM 0 HD2 PRO A 96 -6.594 -9.889 7.187 1.00 35.76 H new ATOM 0 HD3 PRO A 96 -5.302 -10.608 7.683 1.00 35.76 H new ATOM 662 N LEU A 97 -7.646 -10.690 3.712 1.00 37.78 N ATOM 663 CA LEU A 97 -8.321 -10.333 2.482 1.00 37.03 C ATOM 664 C LEU A 97 -7.452 -10.691 1.280 1.00 37.86 C ATOM 665 O LEU A 97 -7.952 -11.006 0.194 1.00 37.71 O ATOM 666 CB LEU A 97 -8.649 -8.844 2.475 1.00 36.76 C ATOM 667 CG LEU A 97 -9.488 -8.317 3.642 1.00 39.32 C ATOM 668 CD1 LEU A 97 -9.685 -6.818 3.467 1.00 36.57 C ATOM 669 CD2 LEU A 97 -10.821 -9.030 3.751 1.00 35.68 C ATOM 0 H LEU A 97 -7.359 -10.024 4.175 1.00 37.78 H new ATOM 0 HA LEU A 97 -9.150 -10.833 2.424 1.00 37.03 H new ATOM 0 HB2 LEU A 97 -7.814 -8.351 2.456 1.00 36.76 H new ATOM 0 HB3 LEU A 97 -9.117 -8.641 1.650 1.00 36.76 H new ATOM 0 HG LEU A 97 -9.014 -8.492 4.470 1.00 39.32 H new ATOM 0 HD11 LEU A 97 -10.216 -6.473 4.202 1.00 36.57 H new ATOM 0 HD12 LEU A 97 -8.821 -6.377 3.458 1.00 36.57 H new ATOM 0 HD13 LEU A 97 -10.144 -6.647 2.629 1.00 36.57 H new ATOM 0 HD21 LEU A 97 -11.321 -8.669 4.500 1.00 35.68 H new ATOM 0 HD22 LEU A 97 -11.326 -8.900 2.933 1.00 35.68 H new ATOM 0 HD23 LEU A 97 -10.671 -9.978 3.890 1.00 35.68 H new ATOM 670 N LEU A 98 -6.147 -10.640 1.484 1.00 35.85 N ATOM 671 CA LEU A 98 -5.182 -10.875 0.417 1.00 37.19 C ATOM 672 C LEU A 98 -4.804 -12.353 0.328 1.00 39.51 C ATOM 673 O LEU A 98 -4.431 -12.856 -0.744 1.00 39.21 O ATOM 674 CB LEU A 98 -3.916 -10.075 0.694 1.00 36.83 C ATOM 675 CG LEU A 98 -4.110 -8.589 0.992 1.00 30.20 C ATOM 676 CD1 LEU A 98 -2.723 -7.956 1.231 1.00 34.99 C ATOM 677 CD2 LEU A 98 -4.856 -7.935 -0.133 1.00 28.78 C ATOM 0 H LEU A 98 -5.791 -10.468 2.248 1.00 35.85 H new ATOM 0 HA LEU A 98 -5.589 -10.601 -0.419 1.00 37.19 H new ATOM 0 HB2 LEU A 98 -3.458 -10.480 1.447 1.00 36.83 H new ATOM 0 HB3 LEU A 98 -3.329 -10.158 -0.073 1.00 36.83 H new ATOM 0 HG LEU A 98 -4.644 -8.461 1.791 1.00 30.20 H new ATOM 0 HD11 LEU A 98 -2.827 -7.011 1.422 1.00 34.99 H new ATOM 0 HD12 LEU A 98 -2.293 -8.392 1.983 1.00 34.99 H new ATOM 0 HD13 LEU A 98 -2.176 -8.067 0.438 1.00 34.99 H new ATOM 0 HD21 LEU A 98 -4.976 -6.992 0.063 1.00 28.78 H new ATOM 0 HD22 LEU A 98 -4.352 -8.033 -0.956 1.00 28.78 H new ATOM 0 HD23 LEU A 98 -5.724 -8.356 -0.234 1.00 28.78 H new ATOM 678 N ALA A 99 -4.942 -13.038 1.457 1.00 40.79 N ATOM 679 CA ALA A 99 -4.512 -14.432 1.606 1.00 43.42 C ATOM 680 C ALA A 99 -5.266 -15.461 0.785 1.00 44.04 C ATOM 681 O ALA A 99 -4.720 -16.513 0.473 1.00 46.70 O ATOM 682 CB ALA A 99 -4.553 -14.831 3.095 1.00 43.72 C ATOM 0 H ALA A 99 -5.292 -12.706 2.169 1.00 40.79 H new ATOM 0 HA ALA A 99 -3.610 -14.447 1.250 1.00 43.42 H new ATOM 0 HB1 ALA A 99 -4.268 -15.753 3.191 1.00 43.72 H new ATOM 0 HB2 ALA A 99 -3.959 -14.255 3.601 1.00 43.72 H new ATOM 0 HB3 ALA A 99 -5.458 -14.736 3.431 1.00 43.72 H new ATOM 683 N GLY A 100 -6.517 -15.180 0.465 1.00 42.32 N ATOM 684 CA GLY A 100 -7.335 -16.103 -0.284 1.00 42.71 C ATOM 685 C GLY A 100 -8.779 -15.736 -0.047 1.00 43.70 C ATOM 686 O GLY A 100 -9.066 -14.648 0.442 1.00 43.72 O ATOM 0 H GLY A 100 -6.913 -14.447 0.678 1.00 42.32 H new ATOM 0 HA2 GLY A 100 -7.123 -16.055 -1.229 1.00 42.71 H new ATOM 0 HA3 GLY A 100 -7.165 -17.015 -0.001 1.00 42.71 H new ATOM 687 N ALA A 101 -9.698 -16.646 -0.357 1.00 42.53 N ATOM 688 CA ALA A 101 -11.109 -16.339 -0.232 1.00 41.39 C ATOM 689 C ALA A 101 -11.435 -15.852 1.178 1.00 39.38 C ATOM 690 O ALA A 101 -10.840 -16.301 2.149 1.00 40.14 O ATOM 691 CB ALA A 101 -11.969 -17.574 -0.596 1.00 41.10 C ATOM 0 H ALA A 101 -9.523 -17.439 -0.639 1.00 42.53 H new ATOM 0 HA ALA A 101 -11.320 -15.625 -0.854 1.00 41.39 H new ATOM 0 HB1 ALA A 101 -12.909 -17.352 -0.507 1.00 41.10 H new ATOM 0 HB2 ALA A 101 -11.785 -17.839 -1.511 1.00 41.10 H new ATOM 0 HB3 ALA A 101 -11.753 -18.307 0.002 1.00 41.10 H new ATOM 692 N AHIS A 102 -12.370 -14.909 1.280 0.50 41.00 N ATOM 693 N BHIS A 102 -12.413 -14.960 1.275 0.50 40.59 N ATOM 694 CA AHIS A 102 -12.743 -14.321 2.572 0.50 41.26 C ATOM 695 CA BHIS A 102 -12.773 -14.358 2.551 0.50 40.53 C ATOM 696 C AHIS A 102 -14.176 -13.810 2.485 0.50 41.30 C ATOM 697 C BHIS A 102 -14.188 -13.812 2.479 0.50 40.88 C ATOM 698 O AHIS A 102 -14.653 -13.477 1.402 0.50 41.09 O ATOM 699 O BHIS A 102 -14.664 -13.453 1.403 0.50 40.71 O ATOM 700 CB AHIS A 102 -11.789 -13.169 2.924 0.50 41.80 C ATOM 701 CB BHIS A 102 -11.781 -13.243 2.880 0.50 40.50 C ATOM 702 CG AHIS A 102 -11.788 -12.787 4.374 0.50 40.95 C ATOM 703 CG BHIS A 102 -11.437 -12.386 1.701 0.50 38.40 C ATOM 704 ND1AHIS A 102 -12.715 -11.929 4.924 0.50 40.51 N ATOM 705 ND1BHIS A 102 -10.512 -12.763 0.752 0.50 31.85 N ATOM 706 CD2AHIS A 102 -10.949 -13.120 5.380 0.50 42.80 C ATOM 707 CD2BHIS A 102 -11.896 -11.173 1.316 0.50 33.49 C ATOM 708 CE1AHIS A 102 -12.457 -11.762 6.207 0.50 37.38 C ATOM 709 CE1BHIS A 102 -10.424 -11.822 -0.171 0.50 41.15 C ATOM 710 NE2AHIS A 102 -11.391 -12.475 6.510 0.50 41.62 N ATOM 711 NE2BHIS A 102 -11.242 -10.840 0.156 0.50 31.90 N ATOM 0 H AHIS A 102 -12.805 -14.592 0.609 0.50 40.59 H new ATOM 0 H BHIS A 102 -12.883 -14.688 0.608 0.50 40.59 H new ATOM 0 HA AHIS A 102 -12.679 -14.994 3.268 0.50 40.53 H new ATOM 0 HA BHIS A 102 -12.738 -15.027 3.252 0.50 40.53 H new ATOM 0 HB2AHIS A 102 -10.888 -13.419 2.666 0.50 40.50 H new ATOM 0 HB2BHIS A 102 -12.153 -12.684 3.580 0.50 40.50 H new ATOM 0 HB3AHIS A 102 -12.029 -12.392 2.396 0.50 40.50 H new ATOM 0 HB3BHIS A 102 -10.968 -13.637 3.234 0.50 40.50 H new ATOM 0 HD1BHIS A 102 -10.062 -13.496 0.759 0.50 31.85 H new ATOM 0 HD2AHIS A 102 -10.210 -13.681 5.319 0.50 33.49 H new ATOM 0 HD2BHIS A 102 -12.535 -10.660 1.755 0.50 33.49 H new ATOM 0 HE1AHIS A 102 -12.944 -11.232 6.796 0.50 41.15 H new ATOM 0 HE1BHIS A 102 -9.878 -11.847 -0.923 0.50 41.15 H new ATOM 0 HE2AHIS A 102 -11.030 -12.528 7.289 0.50 31.90 H new ATOM 712 N ALA A 103 -14.843 -13.731 3.634 1.00 41.60 N ATOM 713 CA ALA A 103 -16.255 -13.309 3.714 1.00 42.62 C ATOM 714 C ALA A 103 -16.486 -11.809 3.869 1.00 43.92 C ATOM 715 O ALA A 103 -17.609 -11.333 3.719 1.00 45.94 O ATOM 716 CB ALA A 103 -16.925 -14.050 4.882 1.00 43.49 C ATOM 0 H AALA A 103 -14.494 -13.920 4.397 0.50 41.60 H new ATOM 0 H BALA A 103 -14.489 -13.917 4.395 0.50 41.60 H new ATOM 0 HA ALA A 103 -16.647 -13.537 2.857 1.00 42.62 H new ATOM 0 HB1 ALA A 103 -17.855 -13.781 4.945 1.00 43.49 H new ATOM 0 HB2 ALA A 103 -16.875 -15.007 4.730 1.00 43.49 H new ATOM 0 HB3 ALA A 103 -16.468 -13.831 5.709 1.00 43.49 H new ATOM 717 N GLU A 104 -15.425 -11.060 4.150 1.00 43.72 N ATOM 718 CA GLU A 104 -15.533 -9.644 4.455 1.00 44.78 C ATOM 719 C GLU A 104 -14.592 -8.827 3.615 1.00 41.94 C ATOM 720 O GLU A 104 -13.751 -9.375 2.934 1.00 41.41 O ATOM 721 CB GLU A 104 -15.080 -9.392 5.880 1.00 45.06 C ATOM 722 CG GLU A 104 -15.891 -10.066 6.906 1.00 49.81 C ATOM 723 CD GLU A 104 -15.436 -9.688 8.274 1.00 48.59 C ATOM 724 OE1 GLU A 104 -14.221 -9.516 8.460 1.00 45.94 O ATOM 725 OE2 GLU A 104 -16.308 -9.555 9.149 1.00 61.07 O ATOM 0 H GLU A 104 -14.620 -11.363 4.168 1.00 43.72 H new ATOM 0 HA GLU A 104 -16.458 -9.399 4.297 1.00 44.78 H new ATOM 0 HB2 GLU A 104 -14.159 -9.682 5.970 1.00 45.06 H new ATOM 0 HB3 GLU A 104 -15.095 -8.437 6.048 1.00 45.06 H new ATOM 0 HG2 GLU A 104 -16.825 -9.828 6.794 1.00 49.81 H new ATOM 0 HG3 GLU A 104 -15.828 -11.027 6.794 1.00 49.81 H new ATOM 726 N GLY A 105 -14.739 -7.510 3.710 1.00 41.23 N ATOM 727 CA GLY A 105 -13.794 -6.570 3.101 1.00 39.73 C ATOM 728 C GLY A 105 -13.120 -5.712 4.161 1.00 38.99 C ATOM 729 O GLY A 105 -13.171 -5.998 5.369 1.00 37.33 O ATOM 0 H GLY A 105 -15.389 -7.133 4.129 1.00 41.23 H new ATOM 0 HA2 GLY A 105 -13.122 -7.060 2.601 1.00 39.73 H new ATOM 0 HA3 GLY A 105 -14.260 -6.002 2.468 1.00 39.73 H new ATOM 730 N VAL A 106 -12.487 -4.648 3.692 1.00 38.01 N ATOM 731 CA VAL A 106 -11.786 -3.721 4.550 1.00 37.94 C ATOM 732 C VAL A 106 -12.705 -3.111 5.622 1.00 37.35 C ATOM 733 O VAL A 106 -12.330 -3.043 6.785 1.00 35.70 O ATOM 734 CB VAL A 106 -11.093 -2.605 3.698 1.00 36.51 C ATOM 735 CG1 VAL A 106 -10.761 -1.390 4.546 1.00 39.09 C ATOM 736 CG2 VAL A 106 -9.819 -3.174 3.007 1.00 34.58 C ATOM 0 H VAL A 106 -12.454 -4.445 2.857 1.00 38.01 H new ATOM 0 HA VAL A 106 -11.102 -4.221 5.022 1.00 37.94 H new ATOM 0 HB VAL A 106 -11.713 -2.315 3.011 1.00 36.51 H new ATOM 0 HG11 VAL A 106 -10.334 -0.717 3.994 1.00 39.09 H new ATOM 0 HG12 VAL A 106 -11.577 -1.027 4.925 1.00 39.09 H new ATOM 0 HG13 VAL A 106 -10.160 -1.649 5.262 1.00 39.09 H new ATOM 0 HG21 VAL A 106 -9.397 -2.476 2.482 1.00 34.58 H new ATOM 0 HG22 VAL A 106 -9.199 -3.491 3.682 1.00 34.58 H new ATOM 0 HG23 VAL A 106 -10.067 -3.910 2.426 1.00 34.58 H new ATOM 737 N GLN A 107 -13.902 -2.694 5.229 1.00 37.48 N ATOM 738 CA GLN A 107 -14.789 -1.959 6.124 1.00 37.22 C ATOM 739 C GLN A 107 -15.070 -2.666 7.441 1.00 38.09 C ATOM 740 O GLN A 107 -14.970 -2.061 8.511 1.00 37.98 O ATOM 741 CB GLN A 107 -16.104 -1.630 5.416 1.00 37.91 C ATOM 742 CG GLN A 107 -17.092 -0.884 6.303 1.00 40.06 C ATOM 0 H GLN A 107 -14.222 -2.827 4.442 1.00 37.48 H new ATOM 0 HA GLN A 107 -14.316 -1.143 6.352 1.00 37.22 H new ATOM 0 HB2 GLN A 107 -15.916 -1.094 4.629 1.00 37.91 H new ATOM 0 HB3 GLN A 107 -16.513 -2.453 5.107 1.00 37.91 H new ATOM 743 N GLU A 108 -15.434 -3.942 7.361 1.00 36.95 N ATOM 744 CA GLU A 108 -15.759 -4.711 8.546 1.00 36.29 C ATOM 745 C GLU A 108 -14.551 -4.799 9.461 1.00 36.24 C ATOM 746 O GLU A 108 -14.679 -4.605 10.676 1.00 34.81 O ATOM 747 CB GLU A 108 -16.226 -6.122 8.189 1.00 34.29 C ATOM 748 CG GLU A 108 -17.560 -6.197 7.432 1.00 39.34 C ATOM 749 CD GLU A 108 -17.421 -6.159 5.917 1.00 45.31 C ATOM 750 OE1 GLU A 108 -16.373 -5.720 5.394 1.00 40.49 O ATOM 751 OE2 GLU A 108 -18.388 -6.564 5.236 1.00 52.60 O ATOM 0 H GLU A 108 -15.498 -4.379 6.623 1.00 36.95 H new ATOM 0 HA GLU A 108 -16.484 -4.254 9.001 1.00 36.29 H new ATOM 0 HB2 GLU A 108 -15.541 -6.548 7.650 1.00 34.29 H new ATOM 0 HB3 GLU A 108 -16.305 -6.638 9.007 1.00 34.29 H new ATOM 0 HG2 GLU A 108 -18.018 -7.014 7.684 1.00 39.34 H new ATOM 0 HG3 GLU A 108 -18.122 -5.458 7.714 1.00 39.34 H new ATOM 752 N ILE A 109 -13.385 -5.079 8.880 1.00 35.56 N ATOM 753 CA ILE A 109 -12.155 -5.231 9.673 1.00 35.22 C ATOM 754 C ILE A 109 -11.730 -3.906 10.338 1.00 36.25 C ATOM 755 O ILE A 109 -11.333 -3.879 11.510 1.00 34.22 O ATOM 756 CB ILE A 109 -10.988 -5.819 8.811 1.00 35.14 C ATOM 757 CG1 ILE A 109 -11.273 -7.278 8.403 1.00 36.95 C ATOM 758 CG2 ILE A 109 -9.649 -5.736 9.566 1.00 33.64 C ATOM 759 CD1 ILE A 109 -10.346 -7.822 7.316 1.00 33.57 C ATOM 0 H ILE A 109 -13.281 -5.185 8.033 1.00 35.56 H new ATOM 0 HA ILE A 109 -12.354 -5.863 10.382 1.00 35.22 H new ATOM 0 HB ILE A 109 -10.925 -5.283 8.005 1.00 35.14 H new ATOM 0 HG12 ILE A 109 -11.199 -7.842 9.188 1.00 36.95 H new ATOM 0 HG13 ILE A 109 -12.190 -7.343 8.093 1.00 36.95 H new ATOM 0 HG21 ILE A 109 -8.942 -6.105 9.014 1.00 33.64 H new ATOM 0 HG22 ILE A 109 -9.449 -4.809 9.769 1.00 33.64 H new ATOM 0 HG23 ILE A 109 -9.711 -6.241 10.392 1.00 33.64 H new ATOM 0 HD11 ILE A 109 -10.587 -8.740 7.115 1.00 33.57 H new ATOM 0 HD12 ILE A 109 -10.434 -7.282 6.515 1.00 33.57 H new ATOM 0 HD13 ILE A 109 -9.428 -7.790 7.627 1.00 33.57 H new ATOM 760 N LEU A 110 -11.805 -2.825 9.573 1.00 34.60 N ATOM 761 CA LEU A 110 -11.441 -1.502 10.051 1.00 35.21 C ATOM 762 C LEU A 110 -12.359 -1.070 11.171 1.00 35.64 C ATOM 763 O LEU A 110 -11.899 -0.571 12.186 1.00 37.92 O ATOM 764 CB LEU A 110 -11.518 -0.479 8.912 1.00 35.22 C ATOM 765 CG LEU A 110 -11.251 1.009 9.219 1.00 35.24 C ATOM 766 CD1 LEU A 110 -9.845 1.228 9.912 1.00 31.71 C ATOM 767 CD2 LEU A 110 -11.402 1.889 7.925 1.00 34.69 C ATOM 0 H LEU A 110 -12.071 -2.840 8.755 1.00 34.60 H new ATOM 0 HA LEU A 110 -10.530 -1.545 10.383 1.00 35.21 H new ATOM 0 HB2 LEU A 110 -10.887 -0.754 8.229 1.00 35.22 H new ATOM 0 HB3 LEU A 110 -12.404 -0.542 8.522 1.00 35.22 H new ATOM 0 HG LEU A 110 -11.924 1.299 9.854 1.00 35.24 H new ATOM 0 HD11 LEU A 110 -9.715 2.173 10.088 1.00 31.71 H new ATOM 0 HD12 LEU A 110 -9.816 0.736 10.748 1.00 31.71 H new ATOM 0 HD13 LEU A 110 -9.142 0.909 9.325 1.00 31.71 H new ATOM 0 HD21 LEU A 110 -11.230 2.818 8.143 1.00 34.69 H new ATOM 0 HD22 LEU A 110 -10.767 1.592 7.255 1.00 34.69 H new ATOM 0 HD23 LEU A 110 -12.303 1.801 7.577 1.00 34.69 H new ATOM 768 N ASP A 111 -13.659 -1.239 10.975 1.00 36.59 N ATOM 769 CA ASP A 111 -14.623 -0.842 11.990 1.00 38.83 C ATOM 770 C ASP A 111 -14.433 -1.643 13.277 1.00 37.92 C ATOM 771 O ASP A 111 -14.499 -1.088 14.364 1.00 37.80 O ATOM 772 CB ASP A 111 -16.043 -0.966 11.459 1.00 37.99 C ATOM 773 CG ASP A 111 -16.402 0.149 10.456 1.00 43.90 C ATOM 774 OD1 ASP A 111 -15.706 1.206 10.399 1.00 39.91 O ATOM 775 OD2 ASP A 111 -17.402 -0.049 9.729 1.00 45.50 O ATOM 0 H ASP A 111 -14.003 -1.580 10.264 1.00 36.59 H new ATOM 0 HA ASP A 111 -14.467 0.091 12.207 1.00 38.83 H new ATOM 0 HB2 ASP A 111 -16.150 -1.829 11.029 1.00 37.99 H new ATOM 0 HB3 ASP A 111 -16.666 -0.940 12.202 1.00 37.99 H new ATOM 776 N ARG A 112 -14.160 -2.936 13.163 1.00 38.74 N ATOM 777 CA ARG A 112 -13.892 -3.726 14.354 1.00 37.51 C ATOM 778 C ARG A 112 -12.647 -3.258 15.072 1.00 35.93 C ATOM 779 O ARG A 112 -12.634 -3.179 16.285 1.00 33.43 O ATOM 780 CB ARG A 112 -13.729 -5.205 14.035 1.00 39.32 C ATOM 781 CG ARG A 112 -14.987 -5.997 14.092 1.00 45.18 C ATOM 782 CD ARG A 112 -14.658 -7.462 14.300 1.00 49.30 C ATOM 783 NE ARG A 112 -13.822 -8.002 13.235 1.00 50.73 N ATOM 784 CZ ARG A 112 -14.274 -8.373 12.038 1.00 43.09 C ATOM 785 NH1 ARG A 112 -15.541 -8.240 11.736 1.00 47.70 N ATOM 786 NH2 ARG A 112 -13.439 -8.856 11.128 1.00 52.88 N ATOM 0 H ARG A 112 -14.125 -3.368 12.420 1.00 38.74 H new ATOM 0 HA ARG A 112 -14.665 -3.603 14.927 1.00 37.51 H new ATOM 0 HB2 ARG A 112 -13.347 -5.291 13.148 1.00 39.32 H new ATOM 0 HB3 ARG A 112 -13.091 -5.589 14.657 1.00 39.32 H new ATOM 0 HG2 ARG A 112 -15.549 -5.677 14.815 1.00 45.18 H new ATOM 0 HG3 ARG A 112 -15.489 -5.883 13.270 1.00 45.18 H new ATOM 0 HD2 ARG A 112 -14.204 -7.571 15.150 1.00 49.30 H new ATOM 0 HD3 ARG A 112 -15.482 -7.972 14.351 1.00 49.30 H new ATOM 0 HE ARG A 112 -12.980 -8.087 13.390 1.00 50.73 H new ATOM 0 HH11 ARG A 112 -16.088 -7.911 12.312 1.00 47.70 H new ATOM 0 HH12 ARG A 112 -15.826 -8.482 10.961 1.00 47.70 H new ATOM 0 HH21 ARG A 112 -12.602 -8.931 11.309 1.00 52.88 H new ATOM 0 HH22 ARG A 112 -13.735 -9.094 10.356 1.00 52.88 H new ATOM 787 N THR A 113 -11.588 -2.966 14.326 1.00 35.67 N ATOM 788 CA THR A 113 -10.330 -2.510 14.930 1.00 34.43 C ATOM 789 C THR A 113 -10.496 -1.160 15.637 1.00 35.15 C ATOM 790 O THR A 113 -9.914 -0.916 16.705 1.00 34.32 O ATOM 791 CB THR A 113 -9.240 -2.367 13.862 1.00 36.22 C ATOM 792 OG1 THR A 113 -9.214 -3.553 13.054 1.00 36.02 O ATOM 793 CG2 THR A 113 -7.876 -2.133 14.503 1.00 29.22 C ATOM 0 H THR A 113 -11.572 -3.024 13.468 1.00 35.67 H new ATOM 0 HA THR A 113 -10.074 -3.180 15.583 1.00 34.43 H new ATOM 0 HB THR A 113 -9.442 -1.598 13.306 1.00 36.22 H new ATOM 0 HG1 THR A 113 -9.807 -3.501 12.461 1.00 36.02 H new ATOM 0 HG21 THR A 113 -7.203 -2.046 13.810 1.00 29.22 H new ATOM 0 HG22 THR A 113 -7.902 -1.320 15.032 1.00 29.22 H new ATOM 0 HG23 THR A 113 -7.654 -2.884 15.075 1.00 29.22 H new ATOM 794 N LEU A 114 -11.293 -0.279 15.037 1.00 34.79 N ATOM 795 CA LEU A 114 -11.519 1.047 15.606 1.00 33.87 C ATOM 796 C LEU A 114 -12.216 0.979 16.961 1.00 35.45 C ATOM 797 O LEU A 114 -12.095 1.911 17.751 1.00 36.40 O ATOM 798 CB LEU A 114 -12.318 1.923 14.633 1.00 33.54 C ATOM 799 CG LEU A 114 -11.485 2.421 13.450 1.00 39.49 C ATOM 800 CD1 LEU A 114 -12.380 2.980 12.349 1.00 38.75 C ATOM 801 CD2 LEU A 114 -10.504 3.455 13.948 1.00 37.44 C ATOM 0 H LEU A 114 -11.712 -0.429 14.301 1.00 34.79 H new ATOM 0 HA LEU A 114 -10.649 1.450 15.749 1.00 33.87 H new ATOM 0 HB2 LEU A 114 -13.075 1.417 14.298 1.00 33.54 H new ATOM 0 HB3 LEU A 114 -12.676 2.686 15.113 1.00 33.54 H new ATOM 0 HG LEU A 114 -10.994 1.680 13.061 1.00 39.49 H new ATOM 0 HD11 LEU A 114 -11.831 3.289 11.611 1.00 38.75 H new ATOM 0 HD12 LEU A 114 -12.981 2.285 12.036 1.00 38.75 H new ATOM 0 HD13 LEU A 114 -12.898 3.722 12.698 1.00 38.75 H new ATOM 0 HD21 LEU A 114 -9.970 3.778 13.206 1.00 37.44 H new ATOM 0 HD22 LEU A 114 -10.988 4.196 14.344 1.00 37.44 H new ATOM 0 HD23 LEU A 114 -9.923 3.056 14.614 1.00 37.44 H new ATOM 802 N GLU A 115 -12.931 -0.120 17.235 1.00 33.47 N ATOM 803 CA GLU A 115 -13.580 -0.283 18.511 1.00 35.45 C ATOM 804 C GLU A 115 -12.538 -0.322 19.627 1.00 36.00 C ATOM 805 O GLU A 115 -12.860 -0.069 20.780 1.00 34.70 O ATOM 806 CB GLU A 115 -14.398 -1.569 18.537 1.00 35.52 C ATOM 807 CG GLU A 115 -15.528 -1.591 17.540 1.00 45.07 C ATOM 808 CD GLU A 115 -16.381 -2.848 17.612 1.00 44.17 C ATOM 809 OE1 GLU A 115 -16.186 -3.687 18.516 1.00 60.14 O ATOM 810 OE2 GLU A 115 -17.268 -2.984 16.744 1.00 68.06 O ATOM 0 H GLU A 115 -13.044 -0.774 16.688 1.00 33.47 H new ATOM 0 HA GLU A 115 -14.174 0.471 18.649 1.00 35.45 H new ATOM 0 HB2 GLU A 115 -13.810 -2.320 18.363 1.00 35.52 H new ATOM 0 HB3 GLU A 115 -14.761 -1.693 19.428 1.00 35.52 H new ATOM 0 HG2 GLU A 115 -16.094 -0.817 17.687 1.00 45.07 H new ATOM 0 HG3 GLU A 115 -15.162 -1.509 16.646 1.00 45.07 H new ATOM 811 N LEU A 116 -11.292 -0.650 19.299 1.00 34.85 N ATOM 812 CA LEU A 116 -10.226 -0.681 20.292 1.00 35.63 C ATOM 813 C LEU A 116 -9.762 0.713 20.754 1.00 36.41 C ATOM 814 O LEU A 116 -9.179 0.850 21.822 1.00 35.16 O ATOM 815 CB LEU A 116 -9.012 -1.406 19.727 1.00 36.85 C ATOM 816 CG LEU A 116 -9.120 -2.850 19.258 1.00 36.18 C ATOM 817 CD1 LEU A 116 -7.784 -3.261 18.596 1.00 34.62 C ATOM 818 CD2 LEU A 116 -9.468 -3.745 20.418 1.00 38.11 C ATOM 0 H LEU A 116 -11.043 -0.859 18.503 1.00 34.85 H new ATOM 0 HA LEU A 116 -10.600 -1.140 21.060 1.00 35.63 H new ATOM 0 HB2 LEU A 116 -8.692 -0.884 18.974 1.00 36.85 H new ATOM 0 HB3 LEU A 116 -8.320 -1.377 20.406 1.00 36.85 H new ATOM 0 HG LEU A 116 -9.829 -2.939 18.602 1.00 36.18 H new ATOM 0 HD11 LEU A 116 -7.842 -4.181 18.293 1.00 34.62 H new ATOM 0 HD12 LEU A 116 -7.607 -2.682 17.838 1.00 34.62 H new ATOM 0 HD13 LEU A 116 -7.064 -3.178 19.241 1.00 34.62 H new ATOM 0 HD21 LEU A 116 -9.535 -4.663 20.110 1.00 38.11 H new ATOM 0 HD22 LEU A 116 -8.776 -3.681 21.095 1.00 38.11 H new ATOM 0 HD23 LEU A 116 -10.317 -3.469 20.797 1.00 38.11 H new ATOM 819 N ALA A 117 -9.995 1.742 19.957 1.00 35.75 N ATOM 820 CA ALA A 117 -9.555 3.091 20.321 1.00 35.20 C ATOM 821 C ALA A 117 -10.493 4.116 19.720 1.00 36.47 C ATOM 822 O ALA A 117 -10.120 4.817 18.785 1.00 38.59 O ATOM 823 CB ALA A 117 -8.107 3.335 19.829 1.00 32.43 C ATOM 0 H ALA A 117 -10.404 1.688 19.202 1.00 35.75 H new ATOM 0 HA ALA A 117 -9.570 3.177 21.287 1.00 35.20 H new ATOM 0 HB1 ALA A 117 -7.828 4.231 20.076 1.00 32.43 H new ATOM 0 HB2 ALA A 117 -7.512 2.687 20.238 1.00 32.43 H new ATOM 0 HB3 ALA A 117 -8.073 3.241 18.864 1.00 32.43 H new ATOM 824 N PRO A 118 -11.729 4.206 20.233 1.00 39.35 N ATOM 825 CA PRO A 118 -12.640 5.153 19.593 1.00 40.90 C ATOM 826 C PRO A 118 -12.095 6.569 19.622 1.00 39.91 C ATOM 827 O PRO A 118 -11.496 6.993 20.611 1.00 40.45 O ATOM 828 CB PRO A 118 -13.931 5.040 20.423 1.00 41.05 C ATOM 829 CG PRO A 118 -13.561 4.341 21.653 1.00 41.08 C ATOM 830 CD PRO A 118 -12.363 3.493 21.348 1.00 40.83 C ATOM 0 HA PRO A 118 -12.775 4.953 18.653 1.00 40.90 H new ATOM 0 HB2 PRO A 118 -14.296 5.917 20.619 1.00 41.05 H new ATOM 0 HB3 PRO A 118 -14.614 4.551 19.938 1.00 41.05 H new ATOM 0 HG2 PRO A 118 -13.359 4.976 22.358 1.00 41.08 H new ATOM 0 HG3 PRO A 118 -14.296 3.792 21.968 1.00 41.08 H new ATOM 0 HD2 PRO A 118 -11.770 3.421 22.112 1.00 40.83 H new ATOM 0 HD3 PRO A 118 -12.616 2.590 21.100 1.00 40.83 H new ATOM 831 N GLY A 119 -12.279 7.275 18.522 1.00 42.55 N ATOM 832 CA GLY A 119 -11.808 8.643 18.396 1.00 43.67 C ATOM 833 C GLY A 119 -10.334 8.791 18.059 1.00 43.18 C ATOM 834 O GLY A 119 -9.844 9.902 17.920 1.00 43.47 O ATOM 0 H GLY A 119 -12.682 6.975 17.824 1.00 42.55 H new ATOM 0 HA2 GLY A 119 -12.328 9.087 17.708 1.00 43.67 H new ATOM 0 HA3 GLY A 119 -11.983 9.108 19.229 1.00 43.67 H new ATOM 835 N CYS A 120 -9.604 7.693 17.926 1.00 41.15 N ATOM 836 CA CYS A 120 -8.205 7.819 17.599 1.00 37.92 C ATOM 837 C CYS A 120 -8.050 8.475 16.232 1.00 36.99 C ATOM 838 O CYS A 120 -9.017 8.583 15.450 1.00 35.76 O ATOM 839 CB CYS A 120 -7.510 6.474 17.665 1.00 38.20 C ATOM 840 SG CYS A 120 -7.940 5.349 16.345 1.00 42.53 S ATOM 0 H CYS A 120 -9.894 6.889 18.019 1.00 41.15 H new ATOM 0 HA CYS A 120 -7.776 8.390 18.256 1.00 37.92 H new ATOM 0 HB2 CYS A 120 -6.551 6.618 17.652 1.00 38.20 H new ATOM 0 HB3 CYS A 120 -7.722 6.055 18.514 1.00 38.20 H new ATOM 0 HG CYS A 120 -7.009 4.628 16.114 1.00 42.53 H new ATOM 841 N VAL A 121 -6.835 8.954 15.977 1.00 33.88 N ATOM 842 CA VAL A 121 -6.512 9.703 14.766 1.00 33.06 C ATOM 843 C VAL A 121 -5.375 9.121 13.952 1.00 31.98 C ATOM 844 O VAL A 121 -5.158 9.529 12.818 1.00 33.22 O ATOM 845 CB VAL A 121 -6.174 11.190 15.099 1.00 34.35 C ATOM 846 CG1 VAL A 121 -7.427 11.890 15.723 1.00 35.14 C ATOM 847 CG2 VAL A 121 -4.962 11.297 16.017 1.00 34.81 C ATOM 0 H VAL A 121 -6.167 8.852 16.509 1.00 33.88 H new ATOM 0 HA VAL A 121 -7.314 9.643 14.223 1.00 33.06 H new ATOM 0 HB VAL A 121 -5.942 11.645 14.275 1.00 34.35 H new ATOM 0 HG11 VAL A 121 -7.213 12.814 15.929 1.00 35.14 H new ATOM 0 HG12 VAL A 121 -8.162 11.862 15.091 1.00 35.14 H new ATOM 0 HG13 VAL A 121 -7.683 11.429 16.537 1.00 35.14 H new ATOM 0 HG21 VAL A 121 -4.779 12.231 16.204 1.00 34.81 H new ATOM 0 HG22 VAL A 121 -5.143 10.831 16.848 1.00 34.81 H new ATOM 0 HG23 VAL A 121 -4.191 10.897 15.584 1.00 34.81 H new ATOM 848 N SER A 122 -4.646 8.162 14.502 1.00 31.12 N ATOM 849 CA SER A 122 -3.474 7.618 13.816 1.00 33.66 C ATOM 850 C SER A 122 -3.602 6.130 13.514 1.00 34.13 C ATOM 851 O SER A 122 -4.107 5.362 14.329 1.00 32.79 O ATOM 852 CB SER A 122 -2.183 7.906 14.603 1.00 34.59 C ATOM 853 OG SER A 122 -1.964 9.304 14.755 1.00 37.19 O ATOM 0 H SER A 122 -4.809 7.810 15.270 1.00 31.12 H new ATOM 0 HA SER A 122 -3.423 8.074 12.962 1.00 33.66 H new ATOM 0 HB2 SER A 122 -2.236 7.489 15.477 1.00 34.59 H new ATOM 0 HB3 SER A 122 -1.427 7.507 14.144 1.00 34.59 H new ATOM 0 HG SER A 122 -2.161 9.535 15.538 1.00 37.19 H new ATOM 854 N VAL A 123 -3.123 5.725 12.335 1.00 34.00 N ATOM 855 CA VAL A 123 -3.205 4.347 11.915 1.00 34.75 C ATOM 856 C VAL A 123 -1.986 3.889 11.136 1.00 33.89 C ATOM 857 O VAL A 123 -1.415 4.644 10.338 1.00 32.67 O ATOM 858 CB VAL A 123 -4.476 4.105 11.017 1.00 35.88 C ATOM 859 CG1 VAL A 123 -4.479 5.049 9.783 1.00 34.24 C ATOM 860 CG2 VAL A 123 -4.562 2.644 10.561 1.00 35.90 C ATOM 0 H VAL A 123 -2.745 6.247 11.766 1.00 34.00 H new ATOM 0 HA VAL A 123 -3.260 3.831 12.734 1.00 34.75 H new ATOM 0 HB VAL A 123 -5.255 4.305 11.559 1.00 35.88 H new ATOM 0 HG11 VAL A 123 -5.270 4.880 9.248 1.00 34.24 H new ATOM 0 HG12 VAL A 123 -4.482 5.972 10.081 1.00 34.24 H new ATOM 0 HG13 VAL A 123 -3.687 4.885 9.248 1.00 34.24 H new ATOM 0 HG21 VAL A 123 -5.352 2.522 10.011 1.00 35.90 H new ATOM 0 HG22 VAL A 123 -3.772 2.419 10.046 1.00 35.90 H new ATOM 0 HG23 VAL A 123 -4.617 2.065 11.337 1.00 35.90 H new ATOM 861 N ARG A 124 -1.587 2.644 11.383 1.00 32.51 N ATOM 862 CA ARG A 124 -0.616 1.952 10.543 1.00 32.64 C ATOM 863 C ARG A 124 -1.201 0.576 10.342 1.00 35.29 C ATOM 864 O ARG A 124 -1.686 -0.032 11.310 1.00 37.04 O ATOM 865 CB ARG A 124 0.768 1.834 11.167 1.00 31.50 C ATOM 866 CG ARG A 124 1.765 1.163 10.219 1.00 31.75 C ATOM 867 CD ARG A 124 3.096 1.083 10.890 1.00 37.39 C ATOM 868 NE ARG A 124 3.755 2.372 10.996 1.00 36.40 N ATOM 869 CZ ARG A 124 4.479 2.765 12.044 1.00 38.91 C ATOM 870 NH1 ARG A 124 4.556 2.028 13.144 1.00 36.70 N ATOM 871 NH2 ARG A 124 5.094 3.936 12.009 1.00 36.07 N ATOM 0 H ARG A 124 -1.873 2.176 12.045 1.00 32.51 H new ATOM 0 HA ARG A 124 -0.477 2.448 9.721 1.00 32.64 H new ATOM 0 HB2 ARG A 124 1.092 2.717 11.405 1.00 31.50 H new ATOM 0 HB3 ARG A 124 0.709 1.323 11.989 1.00 31.50 H new ATOM 0 HG2 ARG A 124 1.456 0.275 9.982 1.00 31.75 H new ATOM 0 HG3 ARG A 124 1.835 1.669 9.394 1.00 31.75 H new ATOM 0 HD2 ARG A 124 2.983 0.709 11.778 1.00 37.39 H new ATOM 0 HD3 ARG A 124 3.666 0.473 10.396 1.00 37.39 H new ATOM 0 HE ARG A 124 3.673 2.919 10.338 1.00 36.40 H new ATOM 0 HH11 ARG A 124 4.134 1.280 13.191 1.00 36.70 H new ATOM 0 HH12 ARG A 124 5.028 2.298 13.810 1.00 36.70 H new ATOM 0 HH21 ARG A 124 5.025 4.437 11.314 1.00 36.07 H new ATOM 0 HH22 ARG A 124 5.563 4.196 12.682 1.00 36.07 H new ATOM 872 N SER A 125 -1.211 0.117 9.087 1.00 35.13 N ATOM 873 CA SER A 125 -1.771 -1.196 8.752 1.00 34.73 C ATOM 874 C SER A 125 -0.780 -2.307 9.013 1.00 34.70 C ATOM 875 O SER A 125 0.403 -2.171 8.713 1.00 34.50 O ATOM 876 CB SER A 125 -2.174 -1.263 7.285 1.00 36.86 C ATOM 877 OG SER A 125 -3.178 -0.309 6.984 1.00 36.96 O ATOM 0 H SER A 125 -0.898 0.552 8.414 1.00 35.13 H new ATOM 0 HA SER A 125 -2.550 -1.313 9.318 1.00 34.73 H new ATOM 0 HB2 SER A 125 -1.397 -1.105 6.726 1.00 36.86 H new ATOM 0 HB3 SER A 125 -2.498 -2.153 7.076 1.00 36.86 H new ATOM 0 HG SER A 125 -3.308 -0.291 6.154 1.00 36.96 H new ATOM 878 N HIS A 126 -1.266 -3.429 9.561 1.00 32.98 N ATOM 879 CA HIS A 126 -0.436 -4.599 9.694 1.00 34.98 C ATOM 880 C HIS A 126 0.005 -4.983 8.291 1.00 35.99 C ATOM 881 O HIS A 126 -0.802 -4.938 7.343 1.00 33.95 O ATOM 882 CB HIS A 126 -1.147 -5.780 10.346 1.00 35.53 C ATOM 883 CG HIS A 126 -0.233 -6.944 10.538 1.00 37.97 C ATOM 884 ND1 HIS A 126 0.920 -6.845 11.288 1.00 39.53 N ATOM 885 CD2 HIS A 126 -0.253 -8.200 10.028 1.00 37.10 C ATOM 886 CE1 HIS A 126 1.548 -8.012 11.271 1.00 39.81 C ATOM 887 NE2 HIS A 126 0.865 -8.844 10.501 1.00 39.49 N ATOM 0 H HIS A 126 -2.069 -3.519 9.856 1.00 32.98 H new ATOM 0 HA HIS A 126 0.310 -4.386 10.277 1.00 34.98 H new ATOM 0 HB2 HIS A 126 -1.506 -5.507 11.204 1.00 35.53 H new ATOM 0 HB3 HIS A 126 -1.900 -6.048 9.796 1.00 35.53 H new ATOM 0 HD2 HIS A 126 -0.901 -8.558 9.465 1.00 37.10 H new ATOM 0 HE1 HIS A 126 2.335 -8.212 11.724 1.00 39.81 H new ATOM 0 HE2 HIS A 126 1.085 -9.656 10.325 1.00 39.49 H new ATOM 888 N SER A 127 1.297 -5.275 8.154 1.00 33.58 N ATOM 889 CA SER A 127 1.923 -5.588 6.852 1.00 34.52 C ATOM 890 C SER A 127 1.831 -4.451 5.821 1.00 35.10 C ATOM 891 O SER A 127 2.017 -4.675 4.623 1.00 35.17 O ATOM 892 CB SER A 127 1.393 -6.898 6.281 1.00 37.24 C ATOM 893 OG SER A 127 1.792 -7.947 7.169 1.00 42.09 O ATOM 0 H SER A 127 1.846 -5.299 8.815 1.00 33.58 H new ATOM 0 HA SER A 127 2.869 -5.692 7.039 1.00 34.52 H new ATOM 0 HB2 SER A 127 0.427 -6.869 6.200 1.00 37.24 H new ATOM 0 HB3 SER A 127 1.748 -7.051 5.391 1.00 37.24 H new ATOM 0 HG SER A 127 2.152 -8.565 6.729 1.00 42.09 H new ATOM 894 N LEU A 128 1.533 -3.248 6.309 1.00 32.04 N ATOM 895 CA LEU A 128 1.507 -2.044 5.480 1.00 33.66 C ATOM 896 C LEU A 128 0.553 -2.194 4.319 1.00 32.47 C ATOM 897 O LEU A 128 0.799 -1.715 3.204 1.00 33.23 O ATOM 898 CB LEU A 128 2.946 -1.702 5.031 1.00 34.58 C ATOM 899 CG LEU A 128 3.955 -1.474 6.171 1.00 37.02 C ATOM 900 CD1 LEU A 128 5.314 -0.979 5.651 1.00 30.23 C ATOM 901 CD2 LEU A 128 3.412 -0.492 7.221 1.00 34.23 C ATOM 0 H LEU A 128 1.339 -3.107 7.135 1.00 32.04 H new ATOM 0 HA LEU A 128 1.170 -1.299 6.003 1.00 33.66 H new ATOM 0 HB2 LEU A 128 3.273 -2.422 4.469 1.00 34.58 H new ATOM 0 HB3 LEU A 128 2.916 -0.904 4.481 1.00 34.58 H new ATOM 0 HG LEU A 128 4.087 -2.338 6.591 1.00 37.02 H new ATOM 0 HD11 LEU A 128 5.918 -0.848 6.398 1.00 30.23 H new ATOM 0 HD12 LEU A 128 5.688 -1.637 5.045 1.00 30.23 H new ATOM 0 HD13 LEU A 128 5.194 -0.139 5.182 1.00 30.23 H new ATOM 0 HD21 LEU A 128 4.071 -0.371 7.923 1.00 34.23 H new ATOM 0 HD22 LEU A 128 3.228 0.363 6.801 1.00 34.23 H new ATOM 0 HD23 LEU A 128 2.594 -0.846 7.603 1.00 34.23 H new ATOM 902 N VAL A 129 -0.566 -2.870 4.587 1.00 33.68 N ATOM 903 CA VAL A 129 -1.601 -3.009 3.588 1.00 30.22 C ATOM 904 C VAL A 129 -2.271 -1.644 3.393 1.00 31.72 C ATOM 905 O VAL A 129 -2.799 -1.041 4.339 1.00 31.38 O ATOM 906 CB VAL A 129 -2.681 -4.078 3.956 1.00 30.60 C ATOM 907 CG1 VAL A 129 -3.736 -4.148 2.813 1.00 31.91 C ATOM 908 CG2 VAL A 129 -2.085 -5.470 4.248 1.00 30.43 C ATOM 0 H VAL A 129 -0.736 -3.250 5.339 1.00 33.68 H new ATOM 0 HA VAL A 129 -1.180 -3.319 2.771 1.00 30.22 H new ATOM 0 HB VAL A 129 -3.105 -3.798 4.783 1.00 30.60 H new ATOM 0 HG11 VAL A 129 -4.410 -4.810 3.034 1.00 31.91 H new ATOM 0 HG12 VAL A 129 -4.157 -3.281 2.708 1.00 31.91 H new ATOM 0 HG13 VAL A 129 -3.299 -4.397 1.984 1.00 31.91 H new ATOM 0 HG21 VAL A 129 -2.799 -6.088 4.469 1.00 30.43 H new ATOM 0 HG22 VAL A 129 -1.612 -5.790 3.464 1.00 30.43 H new ATOM 0 HG23 VAL A 129 -1.469 -5.408 4.995 1.00 30.43 H new ATOM 909 N GLN A 130 -2.270 -1.150 2.160 1.00 32.68 N ATOM 910 CA GLN A 130 -2.815 0.176 1.861 1.00 33.03 C ATOM 911 C GLN A 130 -3.291 0.206 0.418 1.00 33.76 C ATOM 912 O GLN A 130 -2.930 -0.677 -0.387 1.00 31.15 O ATOM 913 CB GLN A 130 -1.746 1.236 2.112 1.00 37.20 C ATOM 914 CG GLN A 130 -0.477 1.001 1.323 1.00 36.56 C ATOM 915 CD GLN A 130 0.721 1.733 1.897 1.00 33.71 C ATOM 916 OE1 GLN A 130 0.889 2.934 1.668 1.00 34.85 O ATOM 917 NE2 GLN A 130 1.577 0.998 2.635 1.00 31.99 N ATOM 0 H GLN A 130 -1.957 -1.567 1.476 1.00 32.68 H new ATOM 0 HA GLN A 130 -3.570 0.366 2.439 1.00 33.03 H new ATOM 0 HB2 GLN A 130 -2.104 2.108 1.885 1.00 37.20 H new ATOM 0 HB3 GLN A 130 -1.533 1.254 3.058 1.00 37.20 H new ATOM 0 HG2 GLN A 130 -0.288 0.050 1.300 1.00 36.56 H new ATOM 0 HG3 GLN A 130 -0.615 1.285 0.406 1.00 36.56 H new ATOM 0 HE21 GLN A 130 1.421 0.163 2.770 1.00 31.99 H new ATOM 0 HE22 GLN A 130 2.279 1.364 2.971 1.00 31.99 H new ATOM 918 N ALA A 131 -4.157 1.187 0.127 1.00 31.79 N ATOM 919 CA ALA A 131 -4.744 1.375 -1.178 1.00 30.30 C ATOM 920 C ALA A 131 -5.460 2.725 -1.105 1.00 31.08 C ATOM 921 O ALA A 131 -5.804 3.211 -0.020 1.00 31.26 O ATOM 922 CB ALA A 131 -5.817 0.250 -1.471 1.00 29.03 C ATOM 0 H ALA A 131 -4.417 1.768 0.706 1.00 31.79 H new ATOM 0 HA ALA A 131 -4.071 1.338 -1.876 1.00 30.30 H new ATOM 0 HB1 ALA A 131 -6.202 0.390 -2.350 1.00 29.03 H new ATOM 0 HB2 ALA A 131 -5.390 -0.620 -1.440 1.00 29.03 H new ATOM 0 HB3 ALA A 131 -6.518 0.289 -0.802 1.00 29.03 H new ATOM 923 N THR A 132 -5.734 3.303 -2.255 1.00 30.82 N ATOM 924 CA THR A 132 -6.521 4.517 -2.282 1.00 30.95 C ATOM 925 C THR A 132 -7.857 4.355 -1.548 1.00 33.62 C ATOM 926 O THR A 132 -8.249 5.259 -0.801 1.00 36.33 O ATOM 927 CB THR A 132 -6.684 5.015 -3.705 1.00 32.30 C ATOM 928 OG1 THR A 132 -5.369 5.375 -4.204 1.00 35.24 O ATOM 929 CG2 THR A 132 -7.635 6.253 -3.766 1.00 32.88 C ATOM 0 H THR A 132 -5.478 3.014 -3.024 1.00 30.82 H new ATOM 0 HA THR A 132 -6.038 5.201 -1.793 1.00 30.95 H new ATOM 0 HB THR A 132 -7.081 4.317 -4.250 1.00 32.30 H new ATOM 0 HG1 THR A 132 -5.300 6.212 -4.235 1.00 35.24 H new ATOM 0 HG21 THR A 132 -7.721 6.550 -4.685 1.00 32.88 H new ATOM 0 HG22 THR A 132 -8.508 6.008 -3.423 1.00 32.88 H new ATOM 0 HG23 THR A 132 -7.267 6.971 -3.228 1.00 32.88 H new ATOM 930 N SER A 133 -8.585 3.250 -1.748 1.00 32.10 N ATOM 931 CA SER A 133 -9.881 3.114 -1.081 1.00 33.59 C ATOM 932 C SER A 133 -9.698 2.936 0.428 1.00 32.91 C ATOM 933 O SER A 133 -10.508 3.415 1.221 1.00 33.84 O ATOM 934 CB SER A 133 -10.654 1.929 -1.632 1.00 34.04 C ATOM 935 OG SER A 133 -9.938 0.755 -1.347 1.00 34.43 O ATOM 0 H SER A 133 -8.355 2.590 -2.249 1.00 32.10 H new ATOM 0 HA SER A 133 -10.382 3.927 -1.250 1.00 33.59 H new ATOM 0 HB2 SER A 133 -11.538 1.889 -1.234 1.00 34.04 H new ATOM 0 HB3 SER A 133 -10.778 2.024 -2.589 1.00 34.04 H new ATOM 0 HG SER A 133 -10.357 0.091 -1.646 1.00 34.43 H new ATOM 936 N ILE A 134 -8.623 2.265 0.823 1.00 31.89 N ATOM 937 CA ILE A 134 -8.326 2.081 2.249 1.00 33.12 C ATOM 938 C ILE A 134 -8.110 3.457 2.902 1.00 33.00 C ATOM 939 O ILE A 134 -8.723 3.758 3.927 1.00 34.34 O ATOM 940 CB ILE A 134 -7.137 1.132 2.488 1.00 33.06 C ATOM 941 CG1 ILE A 134 -7.517 -0.297 2.057 1.00 31.92 C ATOM 942 CG2 ILE A 134 -6.710 1.158 3.958 1.00 34.94 C ATOM 943 CD1 ILE A 134 -6.362 -1.309 2.135 1.00 31.62 C ATOM 0 H ILE A 134 -8.052 1.908 0.288 1.00 31.89 H new ATOM 0 HA ILE A 134 -9.086 1.649 2.668 1.00 33.12 H new ATOM 0 HB ILE A 134 -6.385 1.432 1.954 1.00 33.06 H new ATOM 0 HG12 ILE A 134 -8.245 -0.609 2.616 1.00 31.92 H new ATOM 0 HG13 ILE A 134 -7.850 -0.271 1.146 1.00 31.92 H new ATOM 0 HG21 ILE A 134 -5.961 0.555 4.088 1.00 34.94 H new ATOM 0 HG22 ILE A 134 -6.446 2.059 4.203 1.00 34.94 H new ATOM 0 HG23 ILE A 134 -7.452 0.877 4.516 1.00 34.94 H new ATOM 0 HD11 ILE A 134 -6.676 -2.181 1.850 1.00 31.62 H new ATOM 0 HD12 ILE A 134 -5.639 -1.021 1.556 1.00 31.62 H new ATOM 0 HD13 ILE A 134 -6.041 -1.364 3.049 1.00 31.62 H new ATOM 944 N LEU A 135 -7.268 4.295 2.302 1.00 34.02 N ATOM 945 CA LEU A 135 -7.047 5.649 2.833 1.00 33.68 C ATOM 946 C LEU A 135 -8.349 6.459 2.812 1.00 34.88 C ATOM 947 O LEU A 135 -8.597 7.208 3.734 1.00 34.90 O ATOM 948 CB LEU A 135 -5.951 6.388 2.092 1.00 34.58 C ATOM 949 CG LEU A 135 -4.544 6.230 2.704 1.00 36.17 C ATOM 950 CD1 LEU A 135 -4.150 4.768 2.830 1.00 40.48 C ATOM 951 CD2 LEU A 135 -3.539 7.022 1.897 1.00 38.63 C ATOM 0 H LEU A 135 -6.817 4.107 1.594 1.00 34.02 H new ATOM 0 HA LEU A 135 -6.753 5.547 3.752 1.00 33.68 H new ATOM 0 HB2 LEU A 135 -5.929 6.074 1.174 1.00 34.58 H new ATOM 0 HB3 LEU A 135 -6.175 7.331 2.064 1.00 34.58 H new ATOM 0 HG LEU A 135 -4.556 6.588 3.606 1.00 36.17 H new ATOM 0 HD11 LEU A 135 -3.263 4.704 3.217 1.00 40.48 H new ATOM 0 HD12 LEU A 135 -4.786 4.309 3.402 1.00 40.48 H new ATOM 0 HD13 LEU A 135 -4.150 4.356 1.952 1.00 40.48 H new ATOM 0 HD21 LEU A 135 -2.657 6.918 2.287 1.00 38.63 H new ATOM 0 HD22 LEU A 135 -3.529 6.696 0.983 1.00 38.63 H new ATOM 0 HD23 LEU A 135 -3.786 7.960 1.903 1.00 38.63 H new ATOM 952 N ASN A 136 -9.181 6.287 1.793 1.00 36.66 N ATOM 953 CA ASN A 136 -10.494 6.980 1.755 1.00 36.18 C ATOM 954 C ASN A 136 -11.335 6.564 2.960 1.00 34.58 C ATOM 955 O ASN A 136 -11.968 7.396 3.624 1.00 34.45 O ATOM 956 CB ASN A 136 -11.266 6.651 0.456 1.00 36.83 C ATOM 957 CG ASN A 136 -10.712 7.368 -0.774 1.00 41.84 C ATOM 958 OD1 ASN A 136 -9.890 8.269 -0.671 1.00 48.38 O ATOM 959 ND2 ASN A 136 -11.178 6.967 -1.952 1.00 46.89 N ATOM 0 H ASN A 136 -9.020 5.783 1.115 1.00 36.66 H new ATOM 0 HA ASN A 136 -10.328 7.935 1.780 1.00 36.18 H new ATOM 0 HB2 ASN A 136 -11.238 5.693 0.304 1.00 36.83 H new ATOM 0 HB3 ASN A 136 -12.198 6.893 0.571 1.00 36.83 H new ATOM 0 HD21 ASN A 136 -10.902 7.344 -2.674 1.00 46.89 H new ATOM 0 HD22 ASN A 136 -11.755 6.331 -1.992 1.00 46.89 H new HETATM 960 N AMSE A 137 -11.342 5.270 3.247 0.50 34.32 N HETATM 961 N BMSE A 137 -11.332 5.262 3.238 0.50 33.34 N HETATM 962 CA AMSE A 137 -12.129 4.756 4.343 0.50 35.70 C HETATM 963 CA BMSE A 137 -12.096 4.697 4.335 0.50 33.92 C HETATM 964 C AMSE A 137 -11.553 5.166 5.695 0.50 34.98 C HETATM 965 C BMSE A 137 -11.550 5.154 5.685 0.50 34.03 C HETATM 966 O AMSE A 137 -12.311 5.381 6.650 0.50 34.03 O HETATM 967 O BMSE A 137 -12.323 5.390 6.622 0.50 33.14 O HETATM 968 CB AMSE A 137 -12.289 3.233 4.236 0.50 34.83 C HETATM 969 CB BMSE A 137 -12.135 3.156 4.235 0.50 32.13 C HETATM 970 CG AMSE A 137 -13.319 2.795 3.164 0.50 38.95 C HETATM 971 CG BMSE A 137 -13.029 2.652 3.091 0.50 36.38 C HETATM 972 SE AMSE A 137 -13.772 0.911 3.313 0.38 41.02 SE HETATM 973 SE BMSE A 137 -13.159 0.711 2.900 0.37 37.23 SE HETATM 974 CE AMSE A 137 -13.310 0.781 5.103 0.50 31.92 C HETATM 975 CE BMSE A 137 -11.659 0.309 1.548 0.50 26.66 C HETATM 0 H AMSE A 137 -10.895 4.676 2.815 0.50 33.34 H new HETATM 0 H BMSE A 137 -10.882 4.682 2.790 0.50 33.34 H new HETATM 0 HA AMSE A 137 -13.012 5.152 4.281 0.50 33.92 H new HETATM 0 HA BMSE A 137 -13.007 5.024 4.267 0.50 33.92 H new HETATM 0 HB2AMSE A 137 -11.428 2.838 4.028 0.50 32.13 H new HETATM 0 HB2BMSE A 137 -11.233 2.822 4.106 0.50 32.13 H new HETATM 0 HB3AMSE A 137 -12.561 2.882 5.098 0.50 32.13 H new HETATM 0 HB3BMSE A 137 -12.455 2.790 5.074 0.50 32.13 H new HETATM 0 HG2AMSE A 137 -14.124 3.328 3.254 0.50 36.38 H new HETATM 0 HG2BMSE A 137 -13.922 3.007 3.221 0.50 36.38 H new HETATM 0 HG3AMSE A 137 -12.959 2.971 2.281 0.50 36.38 H new HETATM 0 HG3BMSE A 137 -12.696 3.020 2.258 0.50 36.38 H new HETATM 0 HE1AMSE A 137 -13.462 -0.126 5.412 0.50 26.66 H new HETATM 0 HE1BMSE A 137 -11.628 -0.645 1.373 0.50 26.66 H new HETATM 0 HE2AMSE A 137 -12.373 1.006 5.213 0.50 26.66 H new HETATM 0 HE2BMSE A 137 -11.833 0.784 0.720 0.50 26.66 H new HETATM 0 HE3AMSE A 137 -13.853 1.394 5.623 0.50 26.66 H new HETATM 0 HE3BMSE A 137 -10.808 0.598 1.913 0.50 26.66 H new ATOM 976 N PHE A 138 -10.224 5.263 5.789 1.00 34.55 N ATOM 977 CA PHE A 138 -9.589 5.759 7.007 1.00 34.27 C ATOM 978 C PHE A 138 -10.131 7.163 7.276 1.00 35.34 C ATOM 979 O PHE A 138 -10.593 7.470 8.374 1.00 34.53 O ATOM 980 CB PHE A 138 -8.066 5.894 6.846 1.00 33.35 C ATOM 981 CG PHE A 138 -7.291 4.593 6.891 1.00 35.64 C ATOM 982 CD1 PHE A 138 -7.823 3.436 7.413 1.00 34.35 C ATOM 983 CD2 PHE A 138 -5.957 4.597 6.533 1.00 32.86 C ATOM 984 CE1 PHE A 138 -7.042 2.267 7.490 1.00 36.55 C ATOM 985 CE2 PHE A 138 -5.194 3.456 6.613 1.00 37.51 C ATOM 986 CZ PHE A 138 -5.755 2.281 7.086 1.00 31.50 C ATOM 0 H APHE A 138 -9.677 5.047 5.161 0.50 34.55 H new ATOM 0 H BPHE A 138 -9.674 5.053 5.162 0.50 34.55 H new ATOM 0 HA PHE A 138 -9.778 5.133 7.723 1.00 34.27 H new ATOM 0 HB2 PHE A 138 -7.883 6.333 6.001 1.00 33.35 H new ATOM 0 HB3 PHE A 138 -7.732 6.476 7.546 1.00 33.35 H new ATOM 0 HD1 PHE A 138 -8.702 3.426 7.716 1.00 34.35 H new ATOM 0 HD2 PHE A 138 -5.568 5.386 6.232 1.00 32.86 H new ATOM 0 HE1 PHE A 138 -7.415 1.482 7.821 1.00 36.55 H new ATOM 0 HE2 PHE A 138 -4.302 3.473 6.350 1.00 37.51 H new ATOM 0 HZ PHE A 138 -5.246 1.504 7.125 1.00 31.50 H new ATOM 987 N GLY A 139 -10.099 7.992 6.238 1.00 36.04 N ATOM 988 CA GLY A 139 -10.535 9.387 6.323 1.00 37.25 C ATOM 989 C GLY A 139 -11.997 9.581 6.677 1.00 37.74 C ATOM 990 O GLY A 139 -12.322 10.429 7.483 1.00 36.91 O ATOM 0 H GLY A 139 -9.822 7.761 5.457 1.00 36.04 H new ATOM 0 HA2 GLY A 139 -9.992 9.842 6.986 1.00 37.25 H new ATOM 0 HA3 GLY A 139 -10.362 9.818 5.471 1.00 37.25 H new ATOM 991 N GLU A 140 -12.867 8.782 6.083 1.00 37.49 N ATOM 992 CA GLU A 140 -14.283 8.796 6.428 1.00 40.53 C ATOM 993 C GLU A 140 -14.469 8.485 7.912 1.00 38.45 C ATOM 994 O GLU A 140 -15.358 9.020 8.523 1.00 35.47 O ATOM 995 CB GLU A 140 -15.052 7.729 5.659 1.00 40.52 C ATOM 996 CG GLU A 140 -15.151 7.900 4.161 1.00 50.09 C ATOM 997 CD GLU A 140 -15.678 6.627 3.460 1.00 51.85 C ATOM 998 OE1 GLU A 140 -16.120 5.666 4.160 1.00 60.07 O ATOM 999 OE2 GLU A 140 -15.640 6.601 2.200 1.00 74.37 O ATOM 0 H GLU A 140 -12.657 8.217 5.470 1.00 37.49 H new ATOM 0 HA GLU A 140 -14.617 9.679 6.206 1.00 40.53 H new ATOM 0 HB2 GLU A 140 -14.637 6.871 5.838 1.00 40.52 H new ATOM 0 HB3 GLU A 140 -15.952 7.689 6.018 1.00 40.52 H new ATOM 0 HG2 GLU A 140 -15.740 8.645 3.961 1.00 50.09 H new ATOM 0 HG3 GLU A 140 -14.277 8.125 3.805 1.00 50.09 H new ATOM 1000 N ARG A 141 -13.649 7.608 8.480 1.00 36.55 N ATOM 1001 CA ARG A 141 -13.752 7.261 9.908 1.00 37.75 C ATOM 1002 C ARG A 141 -12.984 8.218 10.821 1.00 36.83 C ATOM 1003 O ARG A 141 -12.743 7.930 11.995 1.00 39.68 O ATOM 1004 CB ARG A 141 -13.302 5.819 10.163 1.00 39.12 C ATOM 1005 CG ARG A 141 -14.360 4.761 9.915 1.00 46.70 C ATOM 1006 CD ARG A 141 -14.413 4.385 8.491 1.00 59.37 C ATOM 1007 NE ARG A 141 -15.361 3.322 8.166 1.00 66.15 N ATOM 1008 CZ ARG A 141 -15.652 2.987 6.909 1.00 65.69 C ATOM 1009 NH1 ARG A 141 -15.077 3.639 5.891 1.00 57.92 N ATOM 1010 NH2 ARG A 141 -16.512 2.006 6.660 1.00 55.07 N ATOM 0 H ARG A 141 -13.021 7.197 8.060 1.00 36.55 H new ATOM 0 HA ARG A 141 -14.692 7.348 10.132 1.00 37.75 H new ATOM 0 HB2 ARG A 141 -12.536 5.629 9.598 1.00 39.12 H new ATOM 0 HB3 ARG A 141 -13.001 5.747 11.082 1.00 39.12 H new ATOM 0 HG2 ARG A 141 -14.169 3.976 10.453 1.00 46.70 H new ATOM 0 HG3 ARG A 141 -15.226 5.094 10.197 1.00 46.70 H new ATOM 0 HD2 ARG A 141 -14.640 5.172 7.971 1.00 59.37 H new ATOM 0 HD3 ARG A 141 -13.527 4.106 8.211 1.00 59.37 H new ATOM 0 HE ARG A 141 -15.745 2.898 8.808 1.00 66.15 H new ATOM 0 HH11 ARG A 141 -14.519 4.275 6.048 1.00 57.92 H new ATOM 0 HH12 ARG A 141 -15.265 3.422 5.080 1.00 57.92 H new ATOM 0 HH21 ARG A 141 -16.883 1.584 7.311 1.00 55.07 H new ATOM 0 HH22 ARG A 141 -16.697 1.793 5.848 1.00 55.07 H new ATOM 1011 N ARG A 142 -12.584 9.345 10.270 1.00 38.61 N ATOM 1012 CA ARG A 142 -11.954 10.414 11.023 1.00 41.26 C ATOM 1013 C ARG A 142 -10.546 10.137 11.511 1.00 39.93 C ATOM 1014 O ARG A 142 -10.091 10.776 12.448 1.00 38.80 O ATOM 1015 CB ARG A 142 -12.867 10.872 12.177 1.00 43.46 C ATOM 1016 CG ARG A 142 -14.245 11.355 11.709 1.00 48.56 C ATOM 1017 CD ARG A 142 -15.070 11.908 12.881 1.00 48.96 C ATOM 1018 NE ARG A 142 -15.014 11.016 14.044 1.00 58.41 N ATOM 0 H ARG A 142 -12.671 9.517 9.432 1.00 38.61 H new ATOM 0 HA ARG A 142 -11.841 11.135 10.384 1.00 41.26 H new ATOM 0 HB2 ARG A 142 -12.984 10.137 12.799 1.00 43.46 H new ATOM 0 HB3 ARG A 142 -12.429 11.588 12.663 1.00 43.46 H new ATOM 0 HG2 ARG A 142 -14.137 12.043 11.034 1.00 48.56 H new ATOM 0 HG3 ARG A 142 -14.723 10.621 11.292 1.00 48.56 H new ATOM 0 HD2 ARG A 142 -14.737 12.785 13.128 1.00 48.96 H new ATOM 0 HD3 ARG A 142 -15.992 12.023 12.604 1.00 48.96 H new ATOM 1019 N LEU A 143 -9.847 9.196 10.872 1.00 38.73 N ATOM 1020 CA LEU A 143 -8.423 9.036 11.075 1.00 37.55 C ATOM 1021 C LEU A 143 -7.749 10.193 10.330 1.00 39.30 C ATOM 1022 O LEU A 143 -8.220 10.595 9.267 1.00 37.59 O ATOM 1023 CB LEU A 143 -7.943 7.666 10.551 1.00 36.28 C ATOM 1024 CG LEU A 143 -8.468 6.443 11.329 1.00 39.48 C ATOM 1025 CD1 LEU A 143 -8.130 5.120 10.645 1.00 33.25 C ATOM 1026 CD2 LEU A 143 -7.925 6.444 12.754 1.00 40.28 C ATOM 0 H LEU A 143 -10.191 8.640 10.313 1.00 38.73 H new ATOM 0 HA LEU A 143 -8.196 9.058 12.018 1.00 37.55 H new ATOM 0 HB2 LEU A 143 -8.210 7.579 9.623 1.00 36.28 H new ATOM 0 HB3 LEU A 143 -6.973 7.651 10.569 1.00 36.28 H new ATOM 0 HG LEU A 143 -9.435 6.519 11.348 1.00 39.48 H new ATOM 0 HD11 LEU A 143 -8.480 4.385 11.171 1.00 33.25 H new ATOM 0 HD12 LEU A 143 -8.527 5.102 9.760 1.00 33.25 H new ATOM 0 HD13 LEU A 143 -7.167 5.032 10.568 1.00 33.25 H new ATOM 0 HD21 LEU A 143 -8.264 5.670 13.230 1.00 40.28 H new ATOM 0 HD22 LEU A 143 -6.956 6.411 12.731 1.00 40.28 H new ATOM 0 HD23 LEU A 143 -8.210 7.252 13.208 1.00 40.28 H new ATOM 1027 N ARG A 144 -6.687 10.761 10.898 1.00 36.53 N ATOM 1028 CA ARG A 144 -6.006 11.887 10.284 1.00 34.91 C ATOM 1029 C ARG A 144 -4.592 11.589 9.894 1.00 33.85 C ATOM 1030 O ARG A 144 -4.045 12.263 9.032 1.00 38.66 O ATOM 1031 CB ARG A 144 -5.965 13.108 11.206 1.00 35.78 C ATOM 0 H ARG A 144 -6.346 10.504 11.645 1.00 36.53 H new ATOM 0 HA ARG A 144 -6.529 12.071 9.488 1.00 34.91 H new ATOM 1032 N TYR A 145 -3.938 10.638 10.544 1.00 32.32 N ATOM 1033 CA TYR A 145 -2.562 10.378 10.216 1.00 31.38 C ATOM 1034 C TYR A 145 -2.347 8.959 9.702 1.00 31.85 C ATOM 1035 O TYR A 145 -2.521 7.994 10.459 1.00 34.93 O ATOM 1036 CB TYR A 145 -1.699 10.564 11.459 1.00 34.19 C ATOM 1037 CG TYR A 145 -1.767 11.945 12.008 1.00 34.60 C ATOM 1038 CD1 TYR A 145 -0.954 12.951 11.505 1.00 38.59 C ATOM 1039 CD2 TYR A 145 -2.674 12.272 12.984 1.00 33.73 C ATOM 1040 CE1 TYR A 145 -1.028 14.230 12.000 1.00 35.43 C ATOM 1041 CE2 TYR A 145 -2.749 13.554 13.486 1.00 36.85 C ATOM 1042 CZ TYR A 145 -1.921 14.522 12.991 1.00 36.12 C ATOM 1043 OH TYR A 145 -1.988 15.792 13.470 1.00 37.92 O ATOM 0 H TYR A 145 -4.270 10.145 11.165 1.00 32.32 H new ATOM 0 HA TYR A 145 -2.314 11.001 9.515 1.00 31.38 H new ATOM 0 HB2 TYR A 145 -1.982 9.935 12.141 1.00 34.19 H new ATOM 0 HB3 TYR A 145 -0.778 10.352 11.242 1.00 34.19 H new ATOM 0 HD1 TYR A 145 -0.351 12.757 10.824 1.00 38.59 H new ATOM 0 HD2 TYR A 145 -3.248 11.618 13.313 1.00 33.73 H new ATOM 0 HE1 TYR A 145 -0.472 14.894 11.662 1.00 35.43 H new ATOM 0 HE2 TYR A 145 -3.359 13.759 14.157 1.00 36.85 H new ATOM 0 HH TYR A 145 -1.263 16.188 13.317 1.00 37.92 H new ATOM 1044 N ASP A 146 -1.921 8.840 8.449 1.00 30.94 N ATOM 1045 CA ASP A 146 -1.554 7.551 7.889 1.00 31.56 C ATOM 1046 C ASP A 146 -0.037 7.316 8.037 1.00 32.82 C ATOM 1047 O ASP A 146 0.763 8.166 7.648 1.00 35.53 O ATOM 1048 CB ASP A 146 -1.974 7.452 6.421 1.00 32.79 C ATOM 1049 CG ASP A 146 -1.441 6.202 5.765 1.00 34.85 C ATOM 1050 OD1 ASP A 146 -0.271 6.252 5.286 1.00 35.85 O ATOM 1051 OD2 ASP A 146 -2.190 5.193 5.749 1.00 41.08 O ATOM 0 H ASP A 146 -1.838 9.501 7.905 1.00 30.94 H new ATOM 0 HA ASP A 146 -2.024 6.860 8.381 1.00 31.56 H new ATOM 0 HB2 ASP A 146 -2.942 7.460 6.361 1.00 32.79 H new ATOM 0 HB3 ASP A 146 -1.653 8.231 5.940 1.00 32.79 H new ATOM 1052 N CYS A 147 0.344 6.181 8.621 1.00 31.76 N ATOM 1053 CA CYS A 147 1.730 5.858 8.918 1.00 32.62 C ATOM 1054 C CYS A 147 2.197 4.627 8.154 1.00 35.01 C ATOM 1055 O CYS A 147 3.035 3.889 8.633 1.00 33.01 O ATOM 1056 CB CYS A 147 1.906 5.636 10.422 1.00 32.69 C ATOM 1057 SG CYS A 147 1.515 7.166 11.335 1.00 37.06 S ATOM 0 H CYS A 147 -0.210 5.568 8.859 1.00 31.76 H new ATOM 0 HA CYS A 147 2.275 6.608 8.634 1.00 32.62 H new ATOM 0 HB2 CYS A 147 1.327 4.917 10.719 1.00 32.69 H new ATOM 0 HB3 CYS A 147 2.817 5.363 10.611 1.00 32.69 H new ATOM 0 HG CYS A 147 1.655 6.977 12.512 1.00 37.06 H new ATOM 1058 N ASN A 148 1.697 4.462 6.929 1.00 35.06 N ATOM 1059 CA ASN A 148 1.940 3.245 6.122 1.00 34.74 C ATOM 1060 C ASN A 148 3.085 3.271 5.093 1.00 33.95 C ATOM 1061 O ASN A 148 3.410 2.245 4.523 1.00 35.31 O ATOM 1062 CB ASN A 148 0.643 2.891 5.389 1.00 33.53 C ATOM 1063 CG ASN A 148 -0.335 2.155 6.296 1.00 35.94 C ATOM 1064 OD1 ASN A 148 0.043 1.186 6.913 1.00 34.38 O ATOM 1065 ND2 ASN A 148 -1.580 2.584 6.335 1.00 33.97 N ATOM 0 H ASN A 148 1.206 5.048 6.535 1.00 35.06 H new ATOM 0 HA ASN A 148 2.229 2.587 6.773 1.00 34.74 H new ATOM 0 HB2 ASN A 148 0.228 3.702 5.056 1.00 33.53 H new ATOM 0 HB3 ASN A 148 0.847 2.339 4.618 1.00 33.53 H new ATOM 0 HD21 ASN A 148 -2.163 2.170 6.814 1.00 33.97 H new ATOM 0 HD22 ASN A 148 -1.810 3.278 5.882 1.00 33.97 H new ATOM 1066 N ILE A 149 3.678 4.437 4.855 1.00 31.87 N ATOM 1067 CA ILE A 149 4.803 4.571 3.898 1.00 32.46 C ATOM 1068 C ILE A 149 6.140 4.437 4.629 1.00 34.23 C ATOM 1069 O ILE A 149 6.454 5.244 5.528 1.00 33.70 O ATOM 1070 CB ILE A 149 4.817 5.950 3.195 1.00 34.47 C ATOM 1071 CG1 ILE A 149 3.560 6.166 2.323 1.00 40.21 C ATOM 1072 CG2 ILE A 149 6.082 6.096 2.266 1.00 30.58 C ATOM 1073 CD1 ILE A 149 3.526 5.357 1.111 1.00 41.80 C ATOM 0 H ILE A 149 3.450 5.174 5.235 1.00 31.87 H new ATOM 0 HA ILE A 149 4.680 3.869 3.240 1.00 32.46 H new ATOM 0 HB ILE A 149 4.837 6.615 3.901 1.00 34.47 H new ATOM 0 HG12 ILE A 149 2.773 5.968 2.854 1.00 40.21 H new ATOM 0 HG13 ILE A 149 3.507 7.103 2.076 1.00 40.21 H new ATOM 0 HG21 ILE A 149 6.070 6.966 1.837 1.00 30.58 H new ATOM 0 HG22 ILE A 149 6.887 6.011 2.800 1.00 30.58 H new ATOM 0 HG23 ILE A 149 6.068 5.402 1.589 1.00 30.58 H new ATOM 0 HD11 ILE A 149 2.712 5.546 0.618 1.00 41.80 H new ATOM 0 HD12 ILE A 149 4.295 5.569 0.559 1.00 41.80 H new ATOM 0 HD13 ILE A 149 3.549 4.417 1.349 1.00 41.80 H new ATOM 1074 N LEU A 150 6.927 3.442 4.234 1.00 33.20 N ATOM 1075 CA LEU A 150 8.238 3.240 4.781 1.00 33.16 C ATOM 1076 C LEU A 150 9.257 3.606 3.722 1.00 33.99 C ATOM 1077 O LEU A 150 9.367 2.950 2.711 1.00 32.50 O ATOM 1078 CB LEU A 150 8.426 1.793 5.233 1.00 36.75 C ATOM 1079 CG LEU A 150 9.619 1.433 6.145 1.00 35.54 C ATOM 1080 CD1 LEU A 150 9.479 -0.034 6.626 1.00 31.41 C ATOM 1081 CD2 LEU A 150 11.020 1.651 5.545 1.00 33.96 C ATOM 0 H LEU A 150 6.703 2.866 3.636 1.00 33.20 H new ATOM 0 HA LEU A 150 8.355 3.803 5.562 1.00 33.16 H new ATOM 0 HB2 LEU A 150 7.616 1.524 5.694 1.00 36.75 H new ATOM 0 HB3 LEU A 150 8.494 1.245 4.435 1.00 36.75 H new ATOM 0 HG LEU A 150 9.567 2.062 6.882 1.00 35.54 H new ATOM 0 HD11 LEU A 150 10.229 -0.260 7.199 1.00 31.41 H new ATOM 0 HD12 LEU A 150 8.652 -0.134 7.122 1.00 31.41 H new ATOM 0 HD13 LEU A 150 9.469 -0.627 5.858 1.00 31.41 H new ATOM 0 HD21 LEU A 150 11.694 1.396 6.195 1.00 33.96 H new ATOM 0 HD22 LEU A 150 11.119 1.108 4.747 1.00 33.96 H new ATOM 0 HD23 LEU A 150 11.131 2.587 5.314 1.00 33.96 H new ATOM 1082 N VAL A 151 9.995 4.697 3.945 1.00 31.88 N ATOM 1083 CA VAL A 151 11.100 5.055 3.085 1.00 30.54 C ATOM 1084 C VAL A 151 12.370 4.885 3.920 1.00 31.64 C ATOM 1085 O VAL A 151 12.584 5.602 4.883 1.00 32.86 O ATOM 1086 CB VAL A 151 10.997 6.530 2.595 1.00 33.18 C ATOM 1087 CG1 VAL A 151 12.210 6.853 1.729 1.00 32.72 C ATOM 1088 CG2 VAL A 151 9.657 6.762 1.842 1.00 30.31 C ATOM 0 H VAL A 151 9.862 5.241 4.598 1.00 31.88 H new ATOM 0 HA VAL A 151 11.100 4.493 2.295 1.00 30.54 H new ATOM 0 HB VAL A 151 10.998 7.133 3.355 1.00 33.18 H new ATOM 0 HG11 VAL A 151 12.152 7.771 1.420 1.00 32.72 H new ATOM 0 HG12 VAL A 151 13.020 6.738 2.250 1.00 32.72 H new ATOM 0 HG13 VAL A 151 12.230 6.256 0.965 1.00 32.72 H new ATOM 0 HG21 VAL A 151 9.608 7.684 1.544 1.00 30.31 H new ATOM 0 HG22 VAL A 151 9.611 6.171 1.074 1.00 30.31 H new ATOM 0 HG23 VAL A 151 8.914 6.576 2.438 1.00 30.31 H new ATOM 1089 N PRO A 152 13.222 3.932 3.560 1.00 32.56 N ATOM 1090 CA PRO A 152 14.396 3.655 4.387 1.00 32.38 C ATOM 1091 C PRO A 152 15.312 4.841 4.620 1.00 34.81 C ATOM 1092 O PRO A 152 15.559 5.643 3.717 1.00 32.32 O ATOM 1093 CB PRO A 152 15.138 2.565 3.602 1.00 32.49 C ATOM 1094 CG PRO A 152 14.096 1.942 2.734 1.00 36.43 C ATOM 1095 CD PRO A 152 13.112 3.028 2.403 1.00 33.46 C ATOM 0 HA PRO A 152 14.120 3.402 5.282 1.00 32.38 H new ATOM 0 HB2 PRO A 152 15.858 2.941 3.072 1.00 32.49 H new ATOM 0 HB3 PRO A 152 15.536 1.911 4.198 1.00 32.49 H new ATOM 0 HG2 PRO A 152 14.492 1.577 1.927 1.00 36.43 H new ATOM 0 HG3 PRO A 152 13.659 1.208 3.193 1.00 36.43 H new ATOM 0 HD2 PRO A 152 13.337 3.477 1.573 1.00 33.46 H new ATOM 0 HD3 PRO A 152 12.212 2.680 2.302 1.00 33.46 H new ATOM 1096 N TRP A 153 15.813 4.949 5.837 1.00 33.09 N ATOM 1097 CA TRP A 153 16.742 6.005 6.217 1.00 34.02 C ATOM 1098 C TRP A 153 17.957 6.124 5.312 1.00 33.96 C ATOM 1099 O TRP A 153 18.578 7.199 5.248 1.00 33.93 O ATOM 1100 CB TRP A 153 17.232 5.781 7.671 1.00 35.45 C ATOM 1101 CG TRP A 153 18.083 4.617 7.819 1.00 31.16 C ATOM 1102 CD1 TRP A 153 17.693 3.345 8.126 1.00 34.60 C ATOM 1103 CD2 TRP A 153 19.493 4.563 7.623 1.00 29.21 C ATOM 1104 NE1 TRP A 153 18.782 2.513 8.143 1.00 32.87 N ATOM 1105 CE2 TRP A 153 19.893 3.235 7.817 1.00 34.43 C ATOM 1106 CE3 TRP A 153 20.462 5.512 7.278 1.00 34.94 C ATOM 1107 CZ2 TRP A 153 21.199 2.833 7.691 1.00 34.73 C ATOM 1108 CZ3 TRP A 153 21.756 5.109 7.183 1.00 37.38 C ATOM 1109 CH2 TRP A 153 22.118 3.780 7.379 1.00 37.68 C ATOM 0 H TRP A 153 15.623 4.406 6.476 1.00 33.09 H new ATOM 0 HA TRP A 153 16.242 6.832 6.132 1.00 34.02 H new ATOM 0 HB2 TRP A 153 17.717 6.567 7.967 1.00 35.45 H new ATOM 0 HB3 TRP A 153 16.462 5.687 8.254 1.00 35.45 H new ATOM 0 HD1 TRP A 153 16.818 3.082 8.298 1.00 34.60 H new ATOM 0 HE1 TRP A 153 18.767 1.673 8.329 1.00 32.87 H new ATOM 0 HE3 TRP A 153 20.226 6.397 7.118 1.00 34.94 H new ATOM 0 HZ2 TRP A 153 21.445 1.945 7.815 1.00 34.73 H new ATOM 0 HZ3 TRP A 153 22.414 5.735 6.983 1.00 37.38 H new ATOM 0 HH2 TRP A 153 23.011 3.535 7.294 1.00 37.68 H new ATOM 1110 N ASP A 154 18.318 5.034 4.635 1.00 32.92 N ATOM 1111 CA ASP A 154 19.512 5.013 3.797 1.00 33.94 C ATOM 1112 C ASP A 154 19.205 5.148 2.305 1.00 36.29 C ATOM 1113 O ASP A 154 20.081 4.960 1.466 1.00 34.44 O ATOM 1114 CB ASP A 154 20.378 3.779 4.069 1.00 35.68 C ATOM 1115 CG ASP A 154 19.678 2.470 3.759 1.00 38.05 C ATOM 1116 OD1 ASP A 154 18.460 2.471 3.573 1.00 37.41 O ATOM 1117 OD2 ASP A 154 20.374 1.417 3.737 1.00 37.92 O ATOM 0 H ASP A 154 17.881 4.293 4.649 1.00 32.92 H new ATOM 0 HA ASP A 154 20.020 5.800 4.048 1.00 33.94 H new ATOM 0 HB2 ASP A 154 21.188 3.838 3.539 1.00 35.68 H new ATOM 0 HB3 ASP A 154 20.648 3.781 5.001 1.00 35.68 H new ATOM 1118 N ALA A 155 17.972 5.496 1.969 1.00 33.54 N ATOM 1119 CA ALA A 155 17.579 5.721 0.569 1.00 34.18 C ATOM 1120 C ALA A 155 18.097 7.048 -0.018 1.00 34.76 C ATOM 1121 O ALA A 155 17.986 7.293 -1.222 1.00 34.21 O ATOM 1122 CB ALA A 155 16.001 5.628 0.454 1.00 33.09 C ATOM 0 H ALA A 155 17.336 5.610 2.537 1.00 33.54 H new ATOM 0 HA ALA A 155 17.998 5.027 0.037 1.00 34.18 H new ATOM 0 HB1 ALA A 155 15.734 5.775 -0.467 1.00 33.09 H new ATOM 0 HB2 ALA A 155 15.707 4.749 0.739 1.00 33.09 H new ATOM 0 HB3 ALA A 155 15.595 6.303 1.020 1.00 33.09 H new ATOM 1123 N GLY A 156 18.617 7.936 0.827 1.00 35.29 N ATOM 1124 CA GLY A 156 19.154 9.228 0.399 1.00 32.00 C ATOM 1125 C GLY A 156 18.082 10.294 0.289 1.00 31.62 C ATOM 1126 O GLY A 156 18.255 11.278 -0.434 1.00 34.23 O ATOM 0 H GLY A 156 18.669 7.804 1.675 1.00 35.29 H new ATOM 0 HA2 GLY A 156 19.831 9.518 1.030 1.00 32.00 H new ATOM 0 HA3 GLY A 156 19.592 9.124 -0.460 1.00 32.00 H new ATOM 1127 N ILE A 157 16.957 10.067 0.955 1.00 30.88 N ATOM 1128 CA ILE A 157 15.782 10.922 0.883 1.00 29.59 C ATOM 1129 C ILE A 157 15.510 11.537 2.248 1.00 32.95 C ATOM 1130 O ILE A 157 15.289 10.813 3.247 1.00 34.45 O ATOM 1131 CB ILE A 157 14.537 10.118 0.437 1.00 32.18 C ATOM 1132 CG1 ILE A 157 14.775 9.512 -0.963 1.00 35.36 C ATOM 1133 CG2 ILE A 157 13.297 11.043 0.412 1.00 30.52 C ATOM 1134 CD1 ILE A 157 13.750 8.463 -1.410 1.00 29.58 C ATOM 0 H ILE A 157 16.854 9.391 1.477 1.00 30.88 H new ATOM 0 HA ILE A 157 15.956 11.619 0.231 1.00 29.59 H new ATOM 0 HB ILE A 157 14.381 9.398 1.068 1.00 32.18 H new ATOM 0 HG12 ILE A 157 14.783 10.232 -1.613 1.00 35.36 H new ATOM 0 HG13 ILE A 157 15.656 9.107 -0.978 1.00 35.36 H new ATOM 0 HG21 ILE A 157 12.520 10.535 0.132 1.00 30.52 H new ATOM 0 HG22 ILE A 157 13.144 11.404 1.299 1.00 30.52 H new ATOM 0 HG23 ILE A 157 13.449 11.771 -0.211 1.00 30.52 H new ATOM 0 HD11 ILE A 157 13.981 8.142 -2.296 1.00 29.58 H new ATOM 0 HD12 ILE A 157 13.754 7.720 -0.786 1.00 29.58 H new ATOM 0 HD13 ILE A 157 12.866 8.862 -1.431 1.00 29.58 H new ATOM 1135 N VAL A 158 15.470 12.864 2.276 1.00 32.98 N ATOM 1136 CA VAL A 158 15.086 13.600 3.489 1.00 33.25 C ATOM 1137 C VAL A 158 13.588 13.649 3.500 1.00 33.47 C ATOM 1138 O VAL A 158 12.938 14.151 2.565 1.00 31.59 O ATOM 1139 CB VAL A 158 15.654 14.998 3.532 1.00 34.09 C ATOM 1140 CG1 VAL A 158 15.209 15.759 4.804 1.00 31.27 C ATOM 1141 CG2 VAL A 158 17.173 14.942 3.458 1.00 33.52 C ATOM 0 H VAL A 158 15.661 13.364 1.603 1.00 32.98 H new ATOM 0 HA VAL A 158 15.444 13.147 4.269 1.00 33.25 H new ATOM 0 HB VAL A 158 15.310 15.483 2.766 1.00 34.09 H new ATOM 0 HG11 VAL A 158 15.591 16.650 4.798 1.00 31.27 H new ATOM 0 HG12 VAL A 158 14.241 15.823 4.821 1.00 31.27 H new ATOM 0 HG13 VAL A 158 15.515 15.281 5.591 1.00 31.27 H new ATOM 0 HG21 VAL A 158 17.532 15.843 3.486 1.00 33.52 H new ATOM 0 HG22 VAL A 158 17.515 14.434 4.210 1.00 33.52 H new ATOM 0 HG23 VAL A 158 17.441 14.513 2.630 1.00 33.52 H new ATOM 1142 N LEU A 159 13.026 13.155 4.594 1.00 33.91 N ATOM 1143 CA LEU A 159 11.583 12.947 4.692 1.00 33.97 C ATOM 1144 C LEU A 159 10.844 14.036 5.399 1.00 34.52 C ATOM 1145 O LEU A 159 11.386 14.651 6.342 1.00 30.49 O ATOM 1146 CB LEU A 159 11.333 11.674 5.421 1.00 33.90 C ATOM 1147 CG LEU A 159 11.774 10.393 4.712 1.00 37.88 C ATOM 1148 CD1 LEU A 159 11.579 9.216 5.640 1.00 33.98 C ATOM 1149 CD2 LEU A 159 10.994 10.218 3.380 1.00 35.46 C ATOM 0 H LEU A 159 13.465 12.931 5.299 1.00 33.91 H new ATOM 0 HA LEU A 159 11.252 12.931 3.780 1.00 33.97 H new ATOM 0 HB2 LEU A 159 11.785 11.719 6.278 1.00 33.90 H new ATOM 0 HB3 LEU A 159 10.383 11.609 5.605 1.00 33.90 H new ATOM 0 HG LEU A 159 12.716 10.448 4.486 1.00 37.88 H new ATOM 0 HD11 LEU A 159 11.858 8.402 5.193 1.00 33.98 H new ATOM 0 HD12 LEU A 159 12.111 9.343 6.441 1.00 33.98 H new ATOM 0 HD13 LEU A 159 10.642 9.147 5.883 1.00 33.98 H new ATOM 0 HD21 LEU A 159 11.283 9.403 2.940 1.00 35.46 H new ATOM 0 HD22 LEU A 159 10.043 10.166 3.566 1.00 35.46 H new ATOM 0 HD23 LEU A 159 11.168 10.976 2.801 1.00 35.46 H new ATOM 1150 N AGLN A 160 9.597 14.239 4.967 0.50 33.96 N ATOM 1151 N BGLN A 160 9.626 14.305 4.916 0.50 34.62 N ATOM 1152 CA AGLN A 160 8.678 15.239 5.504 0.50 34.51 C ATOM 1153 CA BGLN A 160 8.647 15.193 5.559 0.50 35.68 C ATOM 1154 C AGLN A 160 7.256 14.640 5.378 0.50 33.71 C ATOM 1155 C BGLN A 160 7.294 14.497 5.485 0.50 35.56 C ATOM 1156 O AGLN A 160 6.956 13.968 4.378 0.50 31.59 O ATOM 1157 O BGLN A 160 7.076 13.617 4.634 0.50 36.65 O ATOM 1158 CB AGLN A 160 8.746 16.536 4.645 0.50 35.61 C ATOM 1159 CB BGLN A 160 8.437 16.521 4.795 0.50 37.03 C ATOM 1160 CG AGLN A 160 10.172 17.041 4.256 0.50 39.67 C ATOM 1161 CG BGLN A 160 9.642 17.330 4.461 0.50 41.11 C ATOM 1162 CD AGLN A 160 10.910 17.671 5.421 0.50 35.29 C ATOM 1163 CD BGLN A 160 9.282 18.638 3.757 0.50 35.94 C ATOM 1164 OE1AGLN A 160 10.292 17.962 6.435 0.50 36.98 O ATOM 1165 OE1BGLN A 160 8.227 19.256 4.006 0.50 37.07 O ATOM 1166 NE2AGLN A 160 12.231 17.906 5.277 0.50 24.95 N ATOM 1167 NE2BGLN A 160 10.168 19.080 2.910 0.50 43.80 N ATOM 0 H AGLN A 160 9.252 13.778 4.328 0.50 34.62 H new ATOM 0 H BGLN A 160 9.337 13.965 4.181 0.50 34.62 H new ATOM 0 HA AGLN A 160 8.903 15.458 6.422 0.50 35.68 H new ATOM 0 HA BGLN A 160 8.974 15.378 6.453 0.50 35.68 H new ATOM 0 HB2AGLN A 160 8.244 16.386 3.829 0.50 37.03 H new ATOM 0 HB2BGLN A 160 7.976 16.318 3.966 0.50 37.03 H new ATOM 0 HB3AGLN A 160 8.295 17.245 5.129 0.50 37.03 H new ATOM 0 HB3BGLN A 160 7.842 17.077 5.322 0.50 37.03 H new ATOM 0 HG2AGLN A 160 10.692 16.297 3.913 0.50 41.11 H new ATOM 0 HG2BGLN A 160 10.133 17.527 5.274 0.50 41.11 H new ATOM 0 HG3AGLN A 160 10.097 17.689 3.538 0.50 41.11 H new ATOM 0 HG3BGLN A 160 10.231 16.810 3.892 0.50 41.11 H new ATOM 0 HE21AGLN A 160 12.630 17.686 4.547 0.50 43.80 H new ATOM 0 HE21BGLN A 160 10.885 18.628 2.762 0.50 43.80 H new ATOM 0 HE22AGLN A 160 12.674 18.275 5.915 0.50 43.80 H new ATOM 0 HE22BGLN A 160 10.036 19.824 2.499 0.50 43.80 H new ATOM 1168 N PRO A 161 6.359 14.902 6.348 1.00 34.83 N ATOM 1169 CA PRO A 161 4.990 14.431 6.174 1.00 34.08 C ATOM 1170 C PRO A 161 4.353 15.322 5.086 1.00 34.10 C ATOM 1171 O PRO A 161 4.875 16.394 4.787 1.00 31.81 O ATOM 1172 CB PRO A 161 4.349 14.710 7.547 1.00 34.17 C ATOM 1173 CG PRO A 161 5.082 15.944 8.003 1.00 37.85 C ATOM 1174 CD PRO A 161 6.495 15.730 7.550 1.00 34.77 C ATOM 0 HA PRO A 161 4.895 13.502 5.911 1.00 34.08 H new ATOM 0 HB2 PRO A 161 3.394 14.863 7.475 1.00 34.17 H new ATOM 0 HB3 PRO A 161 4.472 13.969 8.161 1.00 34.17 H new ATOM 0 HG2 PRO A 161 4.703 16.746 7.610 1.00 37.85 H new ATOM 0 HG3 PRO A 161 5.032 16.049 8.966 1.00 37.85 H new ATOM 0 HD2 PRO A 161 6.937 16.571 7.354 1.00 34.77 H new ATOM 0 HD3 PRO A 161 7.023 15.284 8.231 1.00 34.77 H new ATOM 1175 N TRP A 162 3.254 14.876 4.492 1.00 32.51 N ATOM 1176 CA TRP A 162 2.575 15.636 3.464 1.00 31.00 C ATOM 1177 C TRP A 162 1.065 15.454 3.531 1.00 31.60 C ATOM 1178 O TRP A 162 0.570 14.519 4.149 1.00 31.32 O ATOM 1179 CB TRP A 162 3.126 15.269 2.073 1.00 32.74 C ATOM 1180 CG TRP A 162 2.839 13.927 1.557 1.00 31.59 C ATOM 1181 CD1 TRP A 162 1.728 13.558 0.866 1.00 34.15 C ATOM 1182 CD2 TRP A 162 3.669 12.748 1.635 1.00 30.91 C ATOM 1183 NE1 TRP A 162 1.804 12.248 0.518 1.00 31.89 N ATOM 1184 CE2 TRP A 162 2.987 11.723 0.963 1.00 31.40 C ATOM 1185 CE3 TRP A 162 4.905 12.469 2.214 1.00 34.12 C ATOM 1186 CZ2 TRP A 162 3.491 10.444 0.848 1.00 28.63 C ATOM 1187 CZ3 TRP A 162 5.420 11.211 2.103 1.00 33.04 C ATOM 1188 CH2 TRP A 162 4.710 10.190 1.427 1.00 34.00 C ATOM 0 H TRP A 162 2.883 14.122 4.677 1.00 32.51 H new ATOM 0 HA TRP A 162 2.751 16.577 3.623 1.00 31.00 H new ATOM 0 HB2 TRP A 162 2.780 15.914 1.436 1.00 32.74 H new ATOM 0 HB3 TRP A 162 4.089 15.380 2.095 1.00 32.74 H new ATOM 0 HD1 TRP A 162 1.018 14.122 0.661 1.00 34.15 H new ATOM 0 HE1 TRP A 162 1.201 11.814 0.084 1.00 31.89 H new ATOM 0 HE3 TRP A 162 5.372 13.131 2.670 1.00 34.12 H new ATOM 0 HZ2 TRP A 162 3.023 9.779 0.396 1.00 28.63 H new ATOM 0 HZ3 TRP A 162 6.250 11.021 2.477 1.00 33.04 H new ATOM 0 HH2 TRP A 162 5.074 9.336 1.374 1.00 34.00 H new ATOM 1189 N ARG A 163 0.331 16.372 2.905 1.00 32.31 N ATOM 1190 CA ARG A 163 -1.113 16.286 2.865 1.00 33.16 C ATOM 1191 C ARG A 163 -1.569 15.253 1.842 1.00 33.42 C ATOM 1192 O ARG A 163 -1.157 15.310 0.681 1.00 31.90 O ATOM 1193 CB ARG A 163 -1.730 17.604 2.438 1.00 34.79 C ATOM 1194 CG ARG A 163 -1.502 18.713 3.398 1.00 44.07 C ATOM 1195 CD ARG A 163 -1.940 20.024 2.803 1.00 56.26 C ATOM 1196 NE ARG A 163 -1.120 21.126 3.321 1.00 59.35 N ATOM 1197 CZ ARG A 163 -1.402 21.858 4.396 1.00 66.39 C ATOM 1198 NH1 ARG A 163 -2.507 21.646 5.120 1.00 69.28 N ATOM 1199 NH2 ARG A 163 -0.562 22.829 4.742 1.00 70.45 N ATOM 0 H ARG A 163 0.659 17.054 2.497 1.00 32.31 H new ATOM 0 HA ARG A 163 -1.395 16.044 3.761 1.00 33.16 H new ATOM 0 HB2 ARG A 163 -1.368 17.856 1.574 1.00 34.79 H new ATOM 0 HB3 ARG A 163 -2.685 17.481 2.320 1.00 34.79 H new ATOM 0 HG2 ARG A 163 -1.992 18.544 4.218 1.00 44.07 H new ATOM 0 HG3 ARG A 163 -0.562 18.756 3.633 1.00 44.07 H new ATOM 0 HD2 ARG A 163 -1.867 19.987 1.836 1.00 56.26 H new ATOM 0 HD3 ARG A 163 -2.874 20.183 3.011 1.00 56.26 H new ATOM 0 HE ARG A 163 -0.397 21.314 2.894 1.00 59.35 H new ATOM 0 HH11 ARG A 163 -3.056 21.024 4.894 1.00 69.28 H new ATOM 0 HH12 ARG A 163 -2.668 22.132 5.811 1.00 69.28 H new ATOM 0 HH21 ARG A 163 0.145 22.973 4.274 1.00 70.45 H new ATOM 0 HH22 ARG A 163 -0.726 23.313 5.433 1.00 70.45 H new ATOM 1200 N HIS A 164 -2.472 14.366 2.258 1.00 33.56 N ATOM 1201 CA HIS A 164 -3.105 13.436 1.326 1.00 33.94 C ATOM 1202 C HIS A 164 -4.215 14.176 0.574 1.00 34.62 C ATOM 1203 O HIS A 164 -4.724 15.189 1.065 1.00 35.11 O ATOM 1204 CB HIS A 164 -3.650 12.232 2.063 1.00 34.01 C ATOM 1205 CG HIS A 164 -4.116 11.141 1.157 1.00 35.56 C ATOM 1206 ND1 HIS A 164 -3.327 10.641 0.148 1.00 33.22 N ATOM 1207 CD2 HIS A 164 -5.273 10.442 1.115 1.00 34.02 C ATOM 1208 CE1 HIS A 164 -3.993 9.706 -0.500 1.00 36.39 C ATOM 1209 NE2 HIS A 164 -5.179 9.568 0.058 1.00 33.22 N ATOM 0 H HIS A 164 -2.731 14.287 3.074 1.00 33.56 H new ATOM 0 HA HIS A 164 -2.450 13.110 0.689 1.00 33.94 H new ATOM 0 HB2 HIS A 164 -2.962 11.883 2.651 1.00 34.01 H new ATOM 0 HB3 HIS A 164 -4.388 12.513 2.626 1.00 34.01 H new ATOM 0 HD2 HIS A 164 -5.996 10.535 1.692 1.00 34.02 H new ATOM 0 HE1 HIS A 164 -3.678 9.224 -1.230 1.00 36.39 H new ATOM 0 HE2 HIS A 164 -5.792 9.022 -0.197 1.00 33.22 H new ATOM 1210 N TRP A 165 -4.623 13.667 -0.584 1.00 33.33 N ATOM 1211 CA TRP A 165 -5.635 14.341 -1.398 1.00 33.46 C ATOM 1212 C TRP A 165 -7.075 14.196 -0.908 1.00 38.51 C ATOM 1213 O TRP A 165 -7.960 14.826 -1.495 1.00 37.91 O ATOM 1214 CB TRP A 165 -5.551 13.902 -2.864 1.00 35.93 C ATOM 1215 CG TRP A 165 -5.781 12.439 -3.122 1.00 30.29 C ATOM 1216 CD1 TRP A 165 -6.972 11.795 -3.160 1.00 38.17 C ATOM 1217 CD2 TRP A 165 -4.778 11.446 -3.399 1.00 33.54 C ATOM 1218 NE1 TRP A 165 -6.779 10.457 -3.422 1.00 36.41 N ATOM 1219 CE2 TRP A 165 -5.441 10.221 -3.581 1.00 33.68 C ATOM 1220 CE3 TRP A 165 -3.393 11.471 -3.492 1.00 32.21 C ATOM 1221 CZ2 TRP A 165 -4.767 9.043 -3.865 1.00 35.46 C ATOM 1222 CZ3 TRP A 165 -2.722 10.297 -3.785 1.00 35.57 C ATOM 1223 CH2 TRP A 165 -3.403 9.093 -3.950 1.00 35.69 C ATOM 0 H TRP A 165 -4.327 12.932 -0.918 1.00 33.33 H new ATOM 0 HA TRP A 165 -5.416 15.282 -1.309 1.00 33.46 H new ATOM 0 HB2 TRP A 165 -6.202 14.409 -3.374 1.00 35.93 H new ATOM 0 HB3 TRP A 165 -4.675 14.140 -3.206 1.00 35.93 H new ATOM 0 HD1 TRP A 165 -7.800 12.198 -3.028 1.00 38.17 H new ATOM 0 HE1 TRP A 165 -7.400 9.865 -3.477 1.00 36.41 H new ATOM 0 HE3 TRP A 165 -2.924 12.263 -3.360 1.00 32.21 H new ATOM 0 HZ2 TRP A 165 -5.227 8.245 -3.993 1.00 35.46 H new ATOM 0 HZ3 TRP A 165 -1.796 10.312 -3.874 1.00 35.57 H new ATOM 0 HH2 TRP A 165 -2.924 8.314 -4.120 1.00 35.69 H new ATOM 1224 N THR A 166 -7.327 13.369 0.107 1.00 39.35 N ATOM 1225 CA THR A 166 -8.657 13.236 0.688 1.00 46.28 C ATOM 1226 C THR A 166 -8.603 13.120 2.201 1.00 49.14 C ATOM 1227 O THR A 166 -7.586 12.737 2.773 1.00 47.80 O ATOM 1228 CB THR A 166 -9.428 11.960 0.226 1.00 48.20 C ATOM 1229 OG1 THR A 166 -8.749 10.788 0.671 1.00 47.98 O ATOM 1230 CG2 THR A 166 -9.635 11.907 -1.288 1.00 54.74 C ATOM 0 H THR A 166 -6.731 12.871 0.476 1.00 39.35 H new ATOM 0 HA THR A 166 -9.111 14.038 0.386 1.00 46.28 H new ATOM 0 HB THR A 166 -10.309 12.001 0.629 1.00 48.20 H new ATOM 0 HG1 THR A 166 -9.086 10.112 0.304 1.00 47.98 H new ATOM 0 HG21 THR A 166 -10.117 11.098 -1.521 1.00 54.74 H new ATOM 0 HG22 THR A 166 -10.147 12.681 -1.572 1.00 54.74 H new ATOM 0 HG23 THR A 166 -8.773 11.909 -1.733 1.00 54.74 H new ATOM 1231 N GLY A 167 -9.736 13.437 2.830 1.00 53.36 N ATOM 1232 CA GLY A 167 -9.926 13.303 4.286 1.00 52.88 C ATOM 1233 C GLY A 167 -9.164 14.293 5.168 1.00 51.93 C ATOM 1234 O GLY A 167 -9.123 14.106 6.372 1.00 56.17 O ATOM 0 H GLY A 167 -10.429 13.741 2.421 1.00 53.36 H new ATOM 0 HA2 GLY A 167 -10.873 13.392 4.478 1.00 52.88 H new ATOM 0 HA3 GLY A 167 -9.667 12.405 4.544 1.00 52.88 H new ATOM 1235 N ASP A 168 -8.595 15.367 4.608 1.00 48.22 N ATOM 1236 CA ASP A 168 -7.636 16.187 5.378 1.00 46.16 C ATOM 1237 C ASP A 168 -6.567 15.288 6.077 1.00 42.43 C ATOM 1238 O ASP A 168 -6.006 15.674 7.096 1.00 43.50 O ATOM 1239 CB ASP A 168 -8.315 17.044 6.449 1.00 47.30 C ATOM 0 H ASP A 168 -8.743 15.636 3.805 1.00 48.22 H new ATOM 0 HA ASP A 168 -7.215 16.775 4.732 1.00 46.16 H new HETATM 1240 N AMSE A 169 -6.304 14.110 5.526 0.50 38.44 N HETATM 1241 N BMSE A 169 -6.276 14.127 5.502 0.50 41.12 N HETATM 1242 CA AMSE A 169 -5.331 13.211 6.126 0.50 35.82 C HETATM 1243 CA BMSE A 169 -5.314 13.211 6.100 0.50 41.11 C HETATM 1244 C AMSE A 169 -3.922 13.710 5.830 0.50 33.75 C HETATM 1245 C BMSE A 169 -3.910 13.716 5.825 0.50 36.48 C HETATM 1246 O AMSE A 169 -3.696 14.426 4.846 0.50 29.91 O HETATM 1247 O BMSE A 169 -3.674 14.440 4.850 0.50 33.14 O HETATM 1248 CB AMSE A 169 -5.503 11.797 5.581 0.50 34.31 C HETATM 1249 CB BMSE A 169 -5.475 11.814 5.508 0.50 40.21 C HETATM 1250 CG AMSE A 169 -6.856 11.163 5.891 0.50 31.29 C HETATM 1251 CG BMSE A 169 -5.106 10.671 6.451 0.50 45.84 C HETATM 1252 SE AMSE A 169 -6.686 9.204 5.846 0.37 38.12 SE HETATM 1253 SE BMSE A 169 -6.032 9.053 5.899 0.38 49.95 SE HETATM 1254 CE AMSE A 169 -5.585 8.950 7.397 0.50 34.36 C HETATM 1255 CE BMSE A 169 -7.402 9.862 4.734 0.50 27.00 C HETATM 0 H AMSE A 169 -6.676 13.814 4.809 0.50 41.12 H new HETATM 0 H BMSE A 169 -6.624 13.851 4.766 0.50 41.12 H new HETATM 0 HA AMSE A 169 -5.473 13.193 7.085 0.50 41.11 H new HETATM 0 HA BMSE A 169 -5.470 13.166 7.056 0.50 41.11 H new HETATM 0 HB2AMSE A 169 -5.379 11.815 4.619 0.50 40.21 H new HETATM 0 HB2BMSE A 169 -6.396 11.700 5.227 0.50 40.21 H new HETATM 0 HB3AMSE A 169 -4.803 11.234 5.946 0.50 40.21 H new HETATM 0 HB3BMSE A 169 -4.926 11.749 4.711 0.50 40.21 H new HETATM 0 HG2AMSE A 169 -7.167 11.451 6.764 0.50 45.84 H new HETATM 0 HG2BMSE A 169 -4.147 10.526 6.440 0.50 45.84 H new HETATM 0 HG3AMSE A 169 -7.517 11.455 5.244 0.50 45.84 H new HETATM 0 HG3BMSE A 169 -5.348 10.899 7.362 0.50 45.84 H new HETATM 0 HE1AMSE A 169 -5.406 8.004 7.515 0.50 27.00 H new HETATM 0 HE1BMSE A 169 -7.967 9.165 4.366 0.50 27.00 H new HETATM 0 HE2AMSE A 169 -4.747 9.425 7.281 0.50 27.00 H new HETATM 0 HE2BMSE A 169 -7.945 10.477 5.251 0.50 27.00 H new HETATM 0 HE3AMSE A 169 -6.044 9.292 8.180 0.50 27.00 H new HETATM 0 HE3BMSE A 169 -6.969 10.342 4.011 0.50 27.00 H new ATOM 1256 N VAL A 170 -2.992 13.322 6.695 1.00 33.13 N ATOM 1257 CA VAL A 170 -1.591 13.613 6.547 1.00 31.80 C ATOM 1258 C VAL A 170 -0.872 12.258 6.432 1.00 33.54 C ATOM 1259 O VAL A 170 -1.152 11.310 7.201 1.00 36.02 O ATOM 1260 CB VAL A 170 -1.085 14.401 7.754 1.00 36.42 C ATOM 1261 CG1 VAL A 170 0.454 14.445 7.771 1.00 32.52 C ATOM 1262 CG2 VAL A 170 -1.707 15.811 7.759 1.00 30.87 C ATOM 0 H AVAL A 170 -3.174 12.869 7.403 0.50 33.13 H new ATOM 0 H BVAL A 170 -3.178 12.868 7.401 0.50 33.13 H new ATOM 0 HA VAL A 170 -1.423 14.157 5.762 1.00 31.80 H new ATOM 0 HB VAL A 170 -1.363 13.952 8.568 1.00 36.42 H new ATOM 0 HG11 VAL A 170 0.755 14.949 8.543 1.00 32.52 H new ATOM 0 HG12 VAL A 170 0.803 13.541 7.819 1.00 32.52 H new ATOM 0 HG13 VAL A 170 0.775 14.873 6.962 1.00 32.52 H new ATOM 0 HG21 VAL A 170 -1.382 16.306 8.527 1.00 30.87 H new ATOM 0 HG22 VAL A 170 -1.458 16.278 6.946 1.00 30.87 H new ATOM 0 HG23 VAL A 170 -2.673 15.739 7.807 1.00 30.87 H new ATOM 1263 N ARG A 171 -0.027 12.104 5.418 1.00 31.60 N ATOM 1264 CA ARG A 171 0.771 10.905 5.310 1.00 30.51 C ATOM 1265 C ARG A 171 2.100 11.158 6.008 1.00 32.45 C ATOM 1266 O ARG A 171 2.794 12.160 5.762 1.00 31.28 O ATOM 1267 CB ARG A 171 0.978 10.503 3.854 1.00 32.96 C ATOM 1268 CG ARG A 171 -0.314 10.302 3.121 1.00 33.48 C ATOM 1269 CD ARG A 171 -0.105 9.284 2.044 1.00 32.63 C ATOM 1270 NE ARG A 171 -0.069 7.947 2.614 1.00 32.11 N ATOM 1271 CZ ARG A 171 -0.032 6.837 1.902 1.00 36.39 C ATOM 1272 NH1 ARG A 171 0.002 6.908 0.584 1.00 33.74 N ATOM 1273 NH2 ARG A 171 -0.039 5.658 2.498 1.00 33.74 N ATOM 0 H ARG A 171 0.094 12.680 4.791 1.00 31.60 H new ATOM 0 HA ARG A 171 0.310 10.165 5.736 1.00 30.51 H new ATOM 0 HB2 ARG A 171 1.498 11.187 3.404 1.00 32.96 H new ATOM 0 HB3 ARG A 171 1.496 9.684 3.819 1.00 32.96 H new ATOM 0 HG2 ARG A 171 -1.005 10.005 3.734 1.00 33.48 H new ATOM 0 HG3 ARG A 171 -0.616 11.140 2.737 1.00 33.48 H new ATOM 0 HD2 ARG A 171 -0.819 9.345 1.390 1.00 32.63 H new ATOM 0 HD3 ARG A 171 0.725 9.465 1.576 1.00 32.63 H new ATOM 0 HE ARG A 171 -0.072 7.875 3.471 1.00 32.11 H new ATOM 0 HH11 ARG A 171 -0.000 7.675 0.194 1.00 33.74 H new ATOM 0 HH12 ARG A 171 0.026 6.188 0.115 1.00 33.74 H new ATOM 0 HH21 ARG A 171 -0.068 5.610 3.356 1.00 33.74 H new ATOM 0 HH22 ARG A 171 -0.015 4.938 2.028 1.00 33.74 H new ATOM 1274 N VAL A 172 2.449 10.243 6.912 1.00 31.78 N ATOM 1275 CA VAL A 172 3.638 10.337 7.700 1.00 32.19 C ATOM 1276 C VAL A 172 4.601 9.170 7.350 1.00 32.39 C ATOM 1277 O VAL A 172 4.338 8.043 7.709 1.00 32.46 O ATOM 1278 CB VAL A 172 3.289 10.287 9.215 1.00 33.59 C ATOM 1279 CG1 VAL A 172 4.597 10.422 10.064 1.00 31.55 C ATOM 1280 CG2 VAL A 172 2.218 11.365 9.579 1.00 29.50 C ATOM 0 H VAL A 172 1.980 9.541 7.076 1.00 31.78 H new ATOM 0 HA VAL A 172 4.072 11.182 7.504 1.00 32.19 H new ATOM 0 HB VAL A 172 2.891 9.428 9.426 1.00 33.59 H new ATOM 0 HG11 VAL A 172 4.375 10.390 11.008 1.00 31.55 H new ATOM 0 HG12 VAL A 172 5.199 9.693 9.849 1.00 31.55 H new ATOM 0 HG13 VAL A 172 5.028 11.267 9.862 1.00 31.55 H new ATOM 0 HG21 VAL A 172 2.017 11.315 10.527 1.00 29.50 H new ATOM 0 HG22 VAL A 172 2.562 12.247 9.368 1.00 29.50 H new ATOM 0 HG23 VAL A 172 1.409 11.203 9.068 1.00 29.50 H new ATOM 1281 N PRO A 173 5.715 9.450 6.633 1.00 31.76 N ATOM 1282 CA PRO A 173 6.583 8.344 6.248 1.00 32.10 C ATOM 1283 C PRO A 173 7.532 7.987 7.391 1.00 33.77 C ATOM 1284 O PRO A 173 7.917 8.867 8.155 1.00 33.55 O ATOM 1285 CB PRO A 173 7.380 8.933 5.096 1.00 32.25 C ATOM 1286 CG PRO A 173 7.548 10.364 5.483 1.00 33.49 C ATOM 1287 CD PRO A 173 6.210 10.728 6.108 1.00 34.62 C ATOM 0 HA PRO A 173 6.096 7.536 6.023 1.00 32.10 H new ATOM 0 HB2 PRO A 173 8.236 8.489 4.990 1.00 32.25 H new ATOM 0 HB3 PRO A 173 6.908 8.844 4.253 1.00 32.25 H new ATOM 0 HG2 PRO A 173 8.278 10.480 6.111 1.00 33.49 H new ATOM 0 HG3 PRO A 173 7.745 10.921 4.713 1.00 33.49 H new ATOM 0 HD2 PRO A 173 6.313 11.387 6.812 1.00 34.62 H new ATOM 0 HD3 PRO A 173 5.601 11.105 5.453 1.00 34.62 H new ATOM 1288 N TYR A 174 7.929 6.718 7.480 1.00 33.35 N ATOM 1289 CA TYR A 174 8.846 6.292 8.522 1.00 31.67 C ATOM 1290 C TYR A 174 10.047 5.612 7.933 1.00 33.83 C ATOM 1291 O TYR A 174 10.009 5.137 6.792 1.00 32.95 O ATOM 1292 CB TYR A 174 8.166 5.447 9.591 1.00 31.51 C ATOM 1293 CG TYR A 174 7.739 4.034 9.280 1.00 34.11 C ATOM 1294 CD1 TYR A 174 6.565 3.767 8.580 1.00 33.65 C ATOM 1295 CD2 TYR A 174 8.436 2.979 9.790 1.00 33.60 C ATOM 1296 CE1 TYR A 174 6.135 2.475 8.365 1.00 31.52 C ATOM 1297 CE2 TYR A 174 8.000 1.673 9.610 1.00 33.63 C ATOM 1298 CZ TYR A 174 6.849 1.427 8.898 1.00 35.66 C ATOM 1299 OH TYR A 174 6.386 0.134 8.752 1.00 34.67 O ATOM 0 H TYR A 174 7.677 6.093 6.946 1.00 33.35 H new ATOM 0 HA TYR A 174 9.156 7.090 8.978 1.00 31.67 H new ATOM 0 HB2 TYR A 174 8.767 5.406 10.351 1.00 31.51 H new ATOM 0 HB3 TYR A 174 7.376 5.930 9.880 1.00 31.51 H new ATOM 0 HD1 TYR A 174 6.060 4.475 8.251 1.00 33.65 H new ATOM 0 HD2 TYR A 174 9.218 3.137 10.267 1.00 33.60 H new ATOM 0 HE1 TYR A 174 5.369 2.313 7.864 1.00 31.52 H new ATOM 0 HE2 TYR A 174 8.485 0.966 9.970 1.00 33.63 H new ATOM 0 HH TYR A 174 6.952 -0.403 9.063 1.00 34.67 H new ATOM 1300 N LEU A 175 11.155 5.694 8.671 1.00 31.89 N ATOM 1301 CA LEU A 175 12.459 5.407 8.081 1.00 31.27 C ATOM 1302 C LEU A 175 13.294 4.262 8.693 1.00 31.22 C ATOM 1303 O LEU A 175 14.359 3.914 8.180 1.00 32.78 O ATOM 1304 CB LEU A 175 13.286 6.712 8.064 1.00 32.64 C ATOM 1305 CG LEU A 175 13.518 7.555 9.338 1.00 32.76 C ATOM 1306 CD1 LEU A 175 14.105 6.752 10.520 1.00 30.94 C ATOM 1307 CD2 LEU A 175 14.380 8.803 9.008 1.00 33.09 C ATOM 0 H LEU A 175 11.172 5.911 9.503 1.00 31.89 H new ATOM 0 HA LEU A 175 12.254 5.071 7.195 1.00 31.27 H new ATOM 0 HB2 LEU A 175 14.163 6.482 7.718 1.00 32.64 H new ATOM 0 HB3 LEU A 175 12.869 7.298 7.414 1.00 32.64 H new ATOM 0 HG LEU A 175 12.644 7.846 9.641 1.00 32.76 H new ATOM 0 HD11 LEU A 175 14.225 7.339 11.283 1.00 30.94 H new ATOM 0 HD12 LEU A 175 13.497 6.034 10.757 1.00 30.94 H new ATOM 0 HD13 LEU A 175 14.962 6.378 10.263 1.00 30.94 H new ATOM 0 HD21 LEU A 175 14.518 9.323 9.815 1.00 33.09 H new ATOM 0 HD22 LEU A 175 15.238 8.520 8.655 1.00 33.09 H new ATOM 0 HD23 LEU A 175 13.923 9.347 8.347 1.00 33.09 H new ATOM 1308 N TRP A 176 12.789 3.666 9.760 1.00 33.69 N ATOM 1309 CA TRP A 176 13.480 2.582 10.455 1.00 32.81 C ATOM 1310 C TRP A 176 12.466 1.689 11.154 1.00 33.55 C ATOM 1311 O TRP A 176 11.448 2.177 11.694 1.00 32.64 O ATOM 1312 CB TRP A 176 14.486 3.156 11.459 1.00 33.78 C ATOM 1313 CG TRP A 176 15.479 2.123 12.004 1.00 32.63 C ATOM 1314 CD1 TRP A 176 16.776 1.956 11.608 1.00 32.87 C ATOM 1315 CD2 TRP A 176 15.284 1.229 13.112 1.00 32.01 C ATOM 1316 NE1 TRP A 176 17.377 0.961 12.346 1.00 33.22 N ATOM 1317 CE2 TRP A 176 16.485 0.500 13.276 1.00 30.58 C ATOM 1318 CE3 TRP A 176 14.190 0.911 13.923 1.00 34.30 C ATOM 1319 CZ2 TRP A 176 16.638 -0.504 14.257 1.00 37.02 C ATOM 1320 CZ3 TRP A 176 14.344 -0.076 14.901 1.00 35.44 C ATOM 1321 CH2 TRP A 176 15.552 -0.779 15.042 1.00 33.64 C ATOM 0 H TRP A 176 12.031 3.877 10.107 1.00 33.69 H new ATOM 0 HA TRP A 176 13.968 2.047 9.809 1.00 32.81 H new ATOM 0 HB2 TRP A 176 14.981 3.874 11.033 1.00 33.78 H new ATOM 0 HB3 TRP A 176 14.000 3.548 12.202 1.00 33.78 H new ATOM 0 HD1 TRP A 176 17.193 2.445 10.936 1.00 32.87 H new ATOM 0 HE1 TRP A 176 18.181 0.676 12.240 1.00 33.22 H new ATOM 0 HE3 TRP A 176 13.376 1.348 13.814 1.00 34.30 H new ATOM 0 HZ2 TRP A 176 17.442 -0.959 14.365 1.00 37.02 H new ATOM 0 HZ3 TRP A 176 13.634 -0.271 15.469 1.00 35.44 H new ATOM 0 HH2 TRP A 176 15.615 -1.448 15.685 1.00 33.64 H new ATOM 1322 N GLU A 177 12.718 0.376 11.107 1.00 32.98 N ATOM 1323 CA GLU A 177 11.860 -0.629 11.747 1.00 32.57 C ATOM 1324 C GLU A 177 12.765 -1.792 12.156 1.00 31.55 C ATOM 1325 O GLU A 177 13.719 -2.159 11.429 1.00 34.07 O ATOM 1326 CB GLU A 177 10.723 -1.064 10.825 1.00 34.73 C ATOM 1327 CG GLU A 177 9.814 -2.164 11.369 1.00 35.07 C ATOM 1328 CD GLU A 177 8.674 -2.500 10.439 1.00 37.97 C ATOM 1329 OE1 GLU A 177 8.171 -1.574 9.745 1.00 39.23 O ATOM 1330 OE2 GLU A 177 8.281 -3.693 10.395 1.00 38.80 O ATOM 0 H GLU A 177 13.397 0.041 10.699 1.00 32.98 H new ATOM 0 HA GLU A 177 11.422 -0.263 12.531 1.00 32.57 H new ATOM 0 HB2 GLU A 177 10.178 -0.288 10.622 1.00 34.73 H new ATOM 0 HB3 GLU A 177 11.106 -1.368 9.987 1.00 34.73 H new ATOM 0 HG2 GLU A 177 10.341 -2.963 11.529 1.00 35.07 H new ATOM 0 HG3 GLU A 177 9.455 -1.885 12.226 1.00 35.07 H new ATOM 1331 N ASP A 178 12.482 -2.354 13.316 1.00 33.56 N ATOM 1332 CA ASP A 178 13.344 -3.406 13.881 1.00 36.80 C ATOM 1333 C ASP A 178 13.474 -4.638 13.019 1.00 33.85 C ATOM 1334 O ASP A 178 14.615 -5.076 12.730 1.00 36.02 O ATOM 1335 CB ASP A 178 13.045 -3.734 15.377 1.00 37.21 C ATOM 1336 CG ASP A 178 11.576 -4.049 15.676 1.00 34.03 C ATOM 1337 OD1 ASP A 178 10.797 -4.289 14.750 1.00 36.51 O ATOM 1338 OD2 ASP A 178 11.208 -4.062 16.878 1.00 33.65 O ATOM 0 H ASP A 178 11.801 -2.150 13.799 1.00 33.56 H new ATOM 0 HA ASP A 178 14.228 -3.007 13.876 1.00 36.80 H new ATOM 0 HB2 ASP A 178 13.588 -4.492 15.645 1.00 37.21 H new ATOM 0 HB3 ASP A 178 13.320 -2.981 15.923 1.00 37.21 H new ATOM 1339 N ASP A 179 12.364 -5.240 12.618 1.00 35.03 N ATOM 1340 CA ASP A 179 12.454 -6.424 11.771 1.00 35.73 C ATOM 1341 C ASP A 179 13.009 -6.096 10.383 1.00 35.59 C ATOM 1342 O ASP A 179 13.774 -6.883 9.811 1.00 36.77 O ATOM 1343 CB ASP A 179 11.142 -7.223 11.720 1.00 37.01 C ATOM 1344 CG ASP A 179 9.942 -6.398 11.344 1.00 46.65 C ATOM 1345 OD1 ASP A 179 10.034 -5.168 11.197 1.00 40.10 O ATOM 1346 OD2 ASP A 179 8.858 -6.992 11.252 1.00 56.94 O ATOM 0 H ASP A 179 11.566 -4.989 12.818 1.00 35.03 H new ATOM 0 HA ASP A 179 13.099 -7.015 12.190 1.00 35.73 H new ATOM 0 HB2 ASP A 179 11.239 -7.947 11.082 1.00 37.01 H new ATOM 0 HB3 ASP A 179 10.986 -7.628 12.587 1.00 37.01 H new ATOM 1347 N VAL A 180 12.713 -4.898 9.880 1.00 36.59 N ATOM 1348 CA VAL A 180 13.290 -4.429 8.603 1.00 36.38 C ATOM 1349 C VAL A 180 14.809 -4.220 8.691 1.00 35.70 C ATOM 1350 O VAL A 180 15.548 -4.483 7.723 1.00 39.21 O ATOM 1351 CB VAL A 180 12.551 -3.163 8.093 1.00 35.70 C ATOM 1352 CG1 VAL A 180 13.207 -2.606 6.846 1.00 38.64 C ATOM 1353 CG2 VAL A 180 11.098 -3.527 7.790 1.00 36.13 C ATOM 0 H VAL A 180 12.181 -4.337 10.257 1.00 36.59 H new ATOM 0 HA VAL A 180 13.155 -5.131 7.947 1.00 36.38 H new ATOM 0 HB VAL A 180 12.592 -2.481 8.781 1.00 35.70 H new ATOM 0 HG11 VAL A 180 12.725 -1.818 6.551 1.00 38.64 H new ATOM 0 HG12 VAL A 180 14.126 -2.368 7.043 1.00 38.64 H new ATOM 0 HG13 VAL A 180 13.190 -3.276 6.145 1.00 38.64 H new ATOM 0 HG21 VAL A 180 10.627 -2.741 7.470 1.00 36.13 H new ATOM 0 HG22 VAL A 180 11.072 -4.218 7.110 1.00 36.13 H new ATOM 0 HG23 VAL A 180 10.671 -3.853 8.597 1.00 36.13 H new ATOM 1354 N ALA A 181 15.286 -3.804 9.865 1.00 34.45 N ATOM 1355 CA ALA A 181 16.703 -3.632 10.083 1.00 33.92 C ATOM 1356 C ALA A 181 17.377 -4.994 9.949 1.00 34.87 C ATOM 1357 O ALA A 181 18.475 -5.115 9.375 1.00 37.22 O ATOM 1358 CB ALA A 181 16.956 -3.037 11.449 1.00 32.99 C ATOM 0 H ALA A 181 14.795 -3.618 10.546 1.00 34.45 H new ATOM 0 HA ALA A 181 17.071 -3.021 9.426 1.00 33.92 H new ATOM 0 HB1 ALA A 181 17.910 -2.927 11.582 1.00 32.99 H new ATOM 0 HB2 ALA A 181 16.519 -2.173 11.512 1.00 32.99 H new ATOM 0 HB3 ALA A 181 16.601 -3.629 12.131 1.00 32.99 H new ATOM 1359 N CYS A 182 16.743 -6.025 10.489 1.00 35.95 N ATOM 1360 CA CYS A 182 17.281 -7.383 10.302 1.00 37.42 C ATOM 1361 C CYS A 182 17.326 -7.740 8.811 1.00 37.93 C ATOM 1362 O CYS A 182 18.334 -8.198 8.305 1.00 39.88 O ATOM 1363 CB CYS A 182 16.458 -8.418 11.063 1.00 37.85 C ATOM 1364 SG CYS A 182 16.419 -8.156 12.865 1.00 38.07 S ATOM 0 H CYS A 182 16.022 -5.974 10.955 1.00 35.95 H new ATOM 0 HA CYS A 182 18.183 -7.394 10.659 1.00 37.42 H new ATOM 0 HB2 CYS A 182 15.549 -8.407 10.724 1.00 37.85 H new ATOM 0 HB3 CYS A 182 16.818 -9.300 10.882 1.00 37.85 H new ATOM 0 HG CYS A 182 15.807 -7.154 13.111 1.00 38.07 H new ATOM 1365 N LEU A 183 16.246 -7.508 8.088 1.00 37.32 N ATOM 1366 CA LEU A 183 16.208 -7.888 6.665 1.00 39.01 C ATOM 1367 C LEU A 183 17.223 -7.122 5.810 1.00 40.69 C ATOM 1368 O LEU A 183 17.793 -7.681 4.885 1.00 38.57 O ATOM 1369 CB LEU A 183 14.808 -7.676 6.106 1.00 41.62 C ATOM 1370 CG LEU A 183 13.734 -8.583 6.709 1.00 43.54 C ATOM 1371 CD1 LEU A 183 12.354 -7.959 6.506 1.00 48.34 C ATOM 1372 CD2 LEU A 183 13.837 -9.971 6.139 1.00 46.42 C ATOM 0 H LEU A 183 15.529 -7.138 8.385 1.00 37.32 H new ATOM 0 HA LEU A 183 16.450 -8.826 6.622 1.00 39.01 H new ATOM 0 HB2 LEU A 183 14.552 -6.752 6.251 1.00 41.62 H new ATOM 0 HB3 LEU A 183 14.831 -7.817 5.147 1.00 41.62 H new ATOM 0 HG LEU A 183 13.874 -8.666 7.665 1.00 43.54 H new ATOM 0 HD11 LEU A 183 11.677 -8.538 6.890 1.00 48.34 H new ATOM 0 HD12 LEU A 183 12.323 -7.093 6.942 1.00 48.34 H new ATOM 0 HD13 LEU A 183 12.185 -7.849 5.557 1.00 48.34 H new ATOM 0 HD21 LEU A 183 13.151 -10.534 6.530 1.00 46.42 H new ATOM 0 HD22 LEU A 183 13.716 -9.936 5.177 1.00 46.42 H new ATOM 0 HD23 LEU A 183 14.711 -10.340 6.341 1.00 46.42 H new ATOM 1373 N TYR A 184 17.455 -5.845 6.105 1.00 36.85 N ATOM 1374 CA TYR A 184 18.441 -5.055 5.383 1.00 35.88 C ATOM 1375 C TYR A 184 19.879 -5.154 5.966 1.00 38.99 C ATOM 1376 O TYR A 184 20.813 -4.566 5.422 1.00 34.92 O ATOM 1377 CB TYR A 184 18.034 -3.593 5.422 1.00 38.04 C ATOM 1378 CG TYR A 184 16.990 -3.132 4.429 1.00 33.76 C ATOM 1379 CD1 TYR A 184 17.195 -3.242 3.049 1.00 35.37 C ATOM 1380 CD2 TYR A 184 15.855 -2.433 4.871 1.00 38.51 C ATOM 1381 CE1 TYR A 184 16.248 -2.732 2.142 1.00 36.20 C ATOM 1382 CE2 TYR A 184 14.921 -1.920 3.964 1.00 35.04 C ATOM 1383 CZ TYR A 184 15.140 -2.061 2.606 1.00 36.00 C ATOM 1384 OH TYR A 184 14.222 -1.536 1.721 1.00 35.19 O ATOM 0 H TYR A 184 17.045 -5.416 6.728 1.00 36.85 H new ATOM 0 HA TYR A 184 18.462 -5.413 4.482 1.00 35.88 H new ATOM 0 HB2 TYR A 184 17.706 -3.397 6.314 1.00 38.04 H new ATOM 0 HB3 TYR A 184 18.831 -3.057 5.289 1.00 38.04 H new ATOM 0 HD1 TYR A 184 17.964 -3.656 2.729 1.00 35.37 H new ATOM 0 HD2 TYR A 184 15.722 -2.309 5.783 1.00 38.51 H new ATOM 0 HE1 TYR A 184 16.371 -2.849 1.228 1.00 36.20 H new ATOM 0 HE2 TYR A 184 14.158 -1.487 4.273 1.00 35.04 H new ATOM 0 HH TYR A 184 13.605 -1.159 2.148 1.00 35.19 H new ATOM 1385 N ASP A 185 20.046 -5.865 7.072 1.00 39.20 N ATOM 1386 CA ASP A 185 21.333 -5.945 7.763 1.00 39.16 C ATOM 1387 C ASP A 185 21.841 -4.582 8.243 1.00 39.66 C ATOM 1388 O ASP A 185 23.025 -4.298 8.160 1.00 40.81 O ATOM 1389 CB ASP A 185 22.384 -6.620 6.874 1.00 39.25 C ATOM 1390 CG ASP A 185 23.420 -7.356 7.673 1.00 53.57 C ATOM 1391 OD1 ASP A 185 23.177 -7.618 8.883 1.00 52.02 O ATOM 1392 OD2 ASP A 185 24.489 -7.649 7.096 1.00 54.74 O ATOM 0 H ASP A 185 19.418 -6.317 7.447 1.00 39.20 H new ATOM 0 HA ASP A 185 21.186 -6.485 8.555 1.00 39.16 H new ATOM 0 HB2 ASP A 185 21.944 -7.239 6.270 1.00 39.25 H new ATOM 0 HB3 ASP A 185 22.819 -5.949 6.325 1.00 39.25 H new ATOM 1393 N TRP A 186 20.937 -3.733 8.723 1.00 37.70 N ATOM 1394 CA TRP A 186 21.322 -2.494 9.375 1.00 36.56 C ATOM 1395 C TRP A 186 21.888 -2.802 10.758 1.00 39.45 C ATOM 1396 O TRP A 186 21.555 -3.817 11.344 1.00 40.38 O ATOM 1397 CB TRP A 186 20.127 -1.592 9.528 1.00 36.76 C ATOM 1398 CG TRP A 186 19.592 -1.124 8.215 1.00 37.67 C ATOM 1399 CD1 TRP A 186 20.280 -0.995 7.054 1.00 36.75 C ATOM 1400 CD2 TRP A 186 18.285 -0.625 7.974 1.00 32.28 C ATOM 1401 NE1 TRP A 186 19.455 -0.473 6.063 1.00 35.81 N ATOM 1402 CE2 TRP A 186 18.223 -0.244 6.611 1.00 37.54 C ATOM 1403 CE3 TRP A 186 17.156 -0.457 8.767 1.00 34.78 C ATOM 1404 CZ2 TRP A 186 17.081 0.281 6.044 1.00 37.66 C ATOM 1405 CZ3 TRP A 186 16.016 0.060 8.185 1.00 34.98 C ATOM 1406 CH2 TRP A 186 15.986 0.406 6.843 1.00 36.75 C ATOM 0 H TRP A 186 20.088 -3.861 8.679 1.00 37.70 H new ATOM 0 HA TRP A 186 21.992 -2.051 8.831 1.00 36.56 H new ATOM 0 HB2 TRP A 186 19.429 -2.064 10.009 1.00 36.76 H new ATOM 0 HB3 TRP A 186 20.372 -0.823 10.066 1.00 36.76 H new ATOM 0 HD1 TRP A 186 21.174 -1.223 6.937 1.00 36.75 H new ATOM 0 HE1 TRP A 186 19.681 -0.321 5.247 1.00 35.81 H new ATOM 0 HE3 TRP A 186 17.168 -0.687 9.668 1.00 34.78 H new ATOM 0 HZ2 TRP A 186 17.060 0.540 5.151 1.00 37.66 H new ATOM 0 HZ3 TRP A 186 15.253 0.179 8.703 1.00 34.98 H new ATOM 0 HH2 TRP A 186 15.195 0.733 6.478 1.00 36.75 H new ATOM 1407 N GLU A 187 22.740 -1.915 11.265 1.00 38.67 N ATOM 1408 CA GLU A 187 23.446 -2.127 12.535 1.00 39.90 C ATOM 1409 C GLU A 187 22.609 -1.797 13.760 1.00 37.40 C ATOM 1410 O GLU A 187 21.873 -0.803 13.773 1.00 35.54 O ATOM 1411 CB GLU A 187 24.677 -1.244 12.575 1.00 39.67 C ATOM 1412 CG GLU A 187 25.655 -1.471 11.427 1.00 47.56 C ATOM 1413 CD GLU A 187 26.884 -0.530 11.464 1.00 51.78 C ATOM 1414 OE1 GLU A 187 27.048 0.244 12.445 1.00 64.96 O ATOM 1415 OE2 GLU A 187 27.677 -0.567 10.490 1.00 64.00 O ATOM 0 H GLU A 187 22.928 -1.168 10.883 1.00 38.67 H new ATOM 0 HA GLU A 187 23.665 -3.071 12.568 1.00 39.90 H new ATOM 0 HB2 GLU A 187 24.396 -0.316 12.567 1.00 39.67 H new ATOM 0 HB3 GLU A 187 25.141 -1.392 13.414 1.00 39.67 H new ATOM 0 HG2 GLU A 187 25.961 -2.391 11.450 1.00 47.56 H new ATOM 0 HG3 GLU A 187 25.188 -1.348 10.586 1.00 47.56 H new ATOM 1416 N PHE A 188 22.732 -2.630 14.791 1.00 35.56 N ATOM 1417 CA PHE A 188 22.075 -2.413 16.075 1.00 34.34 C ATOM 1418 C PHE A 188 23.025 -1.808 17.095 1.00 37.27 C ATOM 1419 O PHE A 188 22.574 -1.314 18.128 1.00 38.82 O ATOM 1420 CB PHE A 188 21.491 -3.714 16.648 1.00 35.42 C ATOM 1421 CG PHE A 188 20.310 -4.216 15.885 1.00 32.28 C ATOM 1422 CD1 PHE A 188 19.078 -3.593 16.003 1.00 36.62 C ATOM 1423 CD2 PHE A 188 20.433 -5.273 15.012 1.00 35.99 C ATOM 1424 CE1 PHE A 188 18.005 -4.026 15.278 1.00 38.65 C ATOM 1425 CE2 PHE A 188 19.346 -5.688 14.268 1.00 35.44 C ATOM 1426 CZ PHE A 188 18.141 -5.085 14.425 1.00 35.48 C ATOM 0 H PHE A 188 23.206 -3.347 14.763 1.00 35.56 H new ATOM 0 HA PHE A 188 21.350 -1.791 15.904 1.00 34.34 H new ATOM 0 HB2 PHE A 188 22.180 -4.397 16.652 1.00 35.42 H new ATOM 0 HB3 PHE A 188 21.233 -3.566 17.571 1.00 35.42 H new ATOM 0 HD1 PHE A 188 18.981 -2.872 16.582 1.00 36.62 H new ATOM 0 HD2 PHE A 188 21.250 -5.709 14.923 1.00 35.99 H new ATOM 0 HE1 PHE A 188 17.182 -3.601 15.365 1.00 38.65 H new ATOM 0 HE2 PHE A 188 19.440 -6.383 13.657 1.00 35.44 H new ATOM 0 HZ PHE A 188 17.404 -5.394 13.950 1.00 35.48 H new ATOM 1427 N ASP A 189 24.318 -1.811 16.772 1.00 38.45 N ATOM 1428 CA ASP A 189 25.383 -1.380 17.701 1.00 42.11 C ATOM 1429 C ASP A 189 26.250 -0.229 17.213 1.00 43.92 C ATOM 1430 O ASP A 189 27.431 -0.150 17.549 1.00 45.69 O ATOM 1431 CB ASP A 189 26.312 -2.558 18.016 1.00 43.53 C ATOM 1432 CG ASP A 189 26.978 -3.136 16.760 1.00 52.82 C ATOM 1433 OD1 ASP A 189 26.556 -2.783 15.611 1.00 56.80 O ATOM 1434 OD2 ASP A 189 27.913 -3.965 16.929 1.00 67.76 O ATOM 0 H ASP A 189 24.611 -2.064 16.004 1.00 38.45 H new ATOM 0 HA ASP A 189 24.905 -1.061 18.482 1.00 42.11 H new ATOM 0 HB2 ASP A 189 26.998 -2.267 18.637 1.00 43.53 H new ATOM 0 HB3 ASP A 189 25.805 -3.256 18.459 1.00 43.53 H new ATOM 1435 N SER A 190 25.689 0.655 16.425 1.00 42.59 N ATOM 1436 CA SER A 190 26.388 1.875 16.026 1.00 43.91 C ATOM 1437 C SER A 190 26.524 2.817 17.230 1.00 44.03 C ATOM 1438 O SER A 190 25.697 2.811 18.135 1.00 44.76 O ATOM 1439 CB SER A 190 25.619 2.574 14.896 1.00 45.68 C ATOM 1440 OG SER A 190 26.334 3.719 14.460 1.00 47.64 O ATOM 0 H SER A 190 24.896 0.576 16.101 1.00 42.59 H new ATOM 0 HA SER A 190 27.274 1.642 15.706 1.00 43.91 H new ATOM 0 HB2 SER A 190 25.491 1.962 14.155 1.00 45.68 H new ATOM 0 HB3 SER A 190 24.737 2.833 15.206 1.00 45.68 H new ATOM 0 HG SER A 190 25.909 4.096 13.841 1.00 47.64 H new ATOM 1441 N THR A 191 27.575 3.625 17.242 1.00 45.19 N ATOM 1442 CA THR A 191 27.768 4.616 18.298 1.00 48.36 C ATOM 1443 C THR A 191 27.060 5.959 18.024 1.00 47.48 C ATOM 1444 O THR A 191 27.171 6.907 18.805 1.00 48.04 O ATOM 1445 CB THR A 191 29.273 4.913 18.482 1.00 49.68 C ATOM 1446 OG1 THR A 191 29.815 5.376 17.237 1.00 54.72 O ATOM 1447 CG2 THR A 191 30.012 3.656 18.924 1.00 50.75 C ATOM 0 H THR A 191 28.194 3.617 16.645 1.00 45.19 H new ATOM 0 HA THR A 191 27.377 4.224 19.095 1.00 48.36 H new ATOM 0 HB THR A 191 29.382 5.593 19.165 1.00 49.68 H new ATOM 0 HG1 THR A 191 30.633 5.541 17.331 1.00 54.72 H new ATOM 0 HG21 THR A 191 30.954 3.857 19.035 1.00 50.75 H new ATOM 0 HG22 THR A 191 29.646 3.345 19.767 1.00 50.75 H new ATOM 0 HG23 THR A 191 29.906 2.965 18.251 1.00 50.75 H new ATOM 1448 N PHE A 192 26.347 6.061 16.910 1.00 45.51 N ATOM 1449 CA PHE A 192 25.634 7.284 16.600 1.00 42.98 C ATOM 1450 C PHE A 192 24.337 6.947 15.863 1.00 41.43 C ATOM 1451 O PHE A 192 24.162 5.835 15.357 1.00 36.59 O ATOM 1452 CB PHE A 192 26.507 8.202 15.767 1.00 43.66 C ATOM 1453 CG PHE A 192 26.801 7.689 14.386 1.00 46.08 C ATOM 1454 CD1 PHE A 192 27.712 6.679 14.187 1.00 47.60 C ATOM 1455 CD2 PHE A 192 26.181 8.257 13.275 1.00 49.08 C ATOM 1456 CE1 PHE A 192 27.992 6.222 12.893 1.00 48.64 C ATOM 1457 CE2 PHE A 192 26.453 7.813 11.988 1.00 43.93 C ATOM 1458 CZ PHE A 192 27.360 6.790 11.792 1.00 43.89 C ATOM 0 H PHE A 192 26.265 5.436 16.325 1.00 45.51 H new ATOM 0 HA PHE A 192 25.413 7.746 17.424 1.00 42.98 H new ATOM 0 HB2 PHE A 192 26.072 9.066 15.694 1.00 43.66 H new ATOM 0 HB3 PHE A 192 27.346 8.345 16.233 1.00 43.66 H new ATOM 0 HD1 PHE A 192 28.145 6.297 14.916 1.00 47.60 H new ATOM 0 HD2 PHE A 192 25.572 8.949 13.398 1.00 49.08 H new ATOM 0 HE1 PHE A 192 28.605 5.534 12.769 1.00 48.64 H new ATOM 0 HE2 PHE A 192 26.026 8.203 11.260 1.00 43.93 H new ATOM 0 HZ PHE A 192 27.546 6.484 10.934 1.00 43.89 H new ATOM 1459 N ASP A 193 23.439 7.918 15.819 1.00 38.51 N ATOM 1460 CA ASP A 193 22.140 7.733 15.227 1.00 38.28 C ATOM 1461 C ASP A 193 22.253 7.910 13.723 1.00 37.98 C ATOM 1462 O ASP A 193 21.926 8.971 13.172 1.00 34.97 O ATOM 1463 CB ASP A 193 21.174 8.743 15.840 1.00 39.20 C ATOM 1464 CG ASP A 193 20.893 8.469 17.326 1.00 46.17 C ATOM 1465 OD1 ASP A 193 20.995 7.297 17.772 1.00 41.65 O ATOM 1466 OD2 ASP A 193 20.538 9.429 18.048 1.00 45.42 O ATOM 0 H ASP A 193 23.573 8.706 16.136 1.00 38.51 H new ATOM 0 HA ASP A 193 21.802 6.841 15.402 1.00 38.28 H new ATOM 0 HB2 ASP A 193 21.541 9.636 15.743 1.00 39.20 H new ATOM 0 HB3 ASP A 193 20.338 8.725 15.348 1.00 39.20 H new ATOM 1467 N TYR A 194 22.694 6.846 13.059 1.00 36.84 N ATOM 1468 CA TYR A 194 22.971 6.875 11.612 1.00 34.21 C ATOM 1469 C TYR A 194 21.780 7.270 10.737 1.00 34.49 C ATOM 1470 O TYR A 194 21.941 7.823 9.650 1.00 33.32 O ATOM 1471 CB TYR A 194 23.535 5.523 11.164 1.00 36.04 C ATOM 1472 CG TYR A 194 22.703 4.291 11.490 1.00 35.90 C ATOM 1473 CD1 TYR A 194 21.594 3.960 10.737 1.00 36.13 C ATOM 1474 CD2 TYR A 194 23.096 3.403 12.485 1.00 37.05 C ATOM 1475 CE1 TYR A 194 20.834 2.825 11.015 1.00 35.01 C ATOM 1476 CE2 TYR A 194 22.362 2.264 12.762 1.00 36.30 C ATOM 1477 CZ TYR A 194 21.216 1.975 12.004 1.00 32.94 C ATOM 1478 OH TYR A 194 20.466 0.842 12.260 1.00 36.03 O ATOM 0 H TYR A 194 22.843 6.084 13.429 1.00 36.84 H new ATOM 0 HA TYR A 194 23.625 7.579 11.483 1.00 34.21 H new ATOM 0 HB2 TYR A 194 23.667 5.554 10.203 1.00 36.04 H new ATOM 0 HB3 TYR A 194 24.410 5.412 11.567 1.00 36.04 H new ATOM 0 HD1 TYR A 194 21.348 4.508 10.027 1.00 36.13 H new ATOM 0 HD2 TYR A 194 23.867 3.578 12.974 1.00 37.05 H new ATOM 0 HE1 TYR A 194 20.065 2.649 10.523 1.00 35.01 H new ATOM 0 HE2 TYR A 194 22.626 1.693 13.447 1.00 36.30 H new ATOM 0 HH TYR A 194 20.913 0.310 12.732 1.00 36.03 H new ATOM 1479 N TRP A 195 20.588 6.988 11.235 1.00 32.54 N ATOM 1480 CA TRP A 195 19.345 7.214 10.520 1.00 34.25 C ATOM 1481 C TRP A 195 18.793 8.629 10.662 1.00 33.04 C ATOM 1482 O TRP A 195 17.865 9.016 9.921 1.00 34.21 O ATOM 1483 CB TRP A 195 18.294 6.209 11.067 1.00 32.81 C ATOM 1484 CG TRP A 195 18.328 6.145 12.546 1.00 34.10 C ATOM 1485 CD1 TRP A 195 19.026 5.268 13.299 1.00 36.72 C ATOM 1486 CD2 TRP A 195 17.700 7.052 13.459 1.00 31.55 C ATOM 1487 NE1 TRP A 195 18.882 5.569 14.638 1.00 36.10 N ATOM 1488 CE2 TRP A 195 18.044 6.645 14.759 1.00 33.21 C ATOM 1489 CE3 TRP A 195 16.873 8.162 13.299 1.00 34.21 C ATOM 1490 CZ2 TRP A 195 17.639 7.347 15.901 1.00 33.38 C ATOM 1491 CZ3 TRP A 195 16.459 8.843 14.425 1.00 34.27 C ATOM 1492 CH2 TRP A 195 16.825 8.423 15.711 1.00 34.71 C ATOM 0 H TRP A 195 20.476 6.651 12.018 1.00 32.54 H new ATOM 0 HA TRP A 195 19.528 7.088 9.576 1.00 34.25 H new ATOM 0 HB2 TRP A 195 17.408 6.473 10.773 1.00 32.81 H new ATOM 0 HB3 TRP A 195 18.464 5.328 10.699 1.00 32.81 H new ATOM 0 HD1 TRP A 195 19.531 4.563 12.964 1.00 36.72 H new ATOM 0 HE1 TRP A 195 19.257 5.150 15.289 1.00 36.10 H new ATOM 0 HE3 TRP A 195 16.606 8.438 12.452 1.00 34.21 H new ATOM 0 HZ2 TRP A 195 17.914 7.090 16.752 1.00 33.38 H new ATOM 0 HZ3 TRP A 195 15.925 9.598 14.329 1.00 34.27 H new ATOM 0 HH2 TRP A 195 16.506 8.888 16.450 1.00 34.71 H new ATOM 1493 N TYR A 196 19.353 9.403 11.602 1.00 32.84 N ATOM 1494 CA TYR A 196 18.796 10.684 12.015 1.00 30.91 C ATOM 1495 C TYR A 196 18.879 11.775 10.964 1.00 32.85 C ATOM 1496 O TYR A 196 19.941 12.033 10.402 1.00 31.65 O ATOM 1497 CB TYR A 196 19.473 11.169 13.321 1.00 31.51 C ATOM 1498 CG TYR A 196 18.876 12.454 13.852 1.00 32.07 C ATOM 1499 CD1 TYR A 196 17.568 12.492 14.343 1.00 32.42 C ATOM 1500 CD2 TYR A 196 19.605 13.638 13.838 1.00 31.42 C ATOM 1501 CE1 TYR A 196 17.002 13.700 14.830 1.00 31.58 C ATOM 1502 CE2 TYR A 196 19.057 14.841 14.321 1.00 33.21 C ATOM 1503 CZ TYR A 196 17.757 14.861 14.805 1.00 32.86 C ATOM 1504 OH TYR A 196 17.239 16.055 15.258 1.00 33.96 O ATOM 0 H TYR A 196 20.075 9.190 12.018 1.00 32.84 H new ATOM 0 HA TYR A 196 17.851 10.519 12.159 1.00 30.91 H new ATOM 0 HB2 TYR A 196 19.394 10.478 13.997 1.00 31.51 H new ATOM 0 HB3 TYR A 196 20.420 11.301 13.159 1.00 31.51 H new ATOM 0 HD1 TYR A 196 17.060 11.713 14.351 1.00 32.42 H new ATOM 0 HD2 TYR A 196 20.472 13.635 13.503 1.00 31.42 H new ATOM 0 HE1 TYR A 196 16.133 13.711 15.162 1.00 31.58 H new ATOM 0 HE2 TYR A 196 19.565 15.620 14.316 1.00 33.21 H new ATOM 0 HH TYR A 196 16.460 15.931 15.547 1.00 33.96 H new ATOM 1505 N GLN A 197 17.752 12.440 10.744 1.00 29.15 N ATOM 1506 CA GLN A 197 17.644 13.576 9.872 1.00 30.29 C ATOM 1507 C GLN A 197 17.336 14.840 10.708 1.00 32.47 C ATOM 1508 O GLN A 197 16.202 15.023 11.202 1.00 32.94 O ATOM 1509 CB GLN A 197 16.516 13.346 8.858 1.00 31.84 C ATOM 1510 CG GLN A 197 16.587 11.986 8.151 1.00 37.27 C ATOM 1511 CD GLN A 197 15.648 11.873 6.982 1.00 33.62 C ATOM 1512 OE1 GLN A 197 14.776 12.736 6.772 1.00 31.89 O ATOM 1513 NE2 GLN A 197 15.832 10.809 6.183 1.00 31.60 N ATOM 0 H GLN A 197 17.007 12.227 11.117 1.00 29.15 H new ATOM 0 HA GLN A 197 18.481 13.696 9.398 1.00 30.29 H new ATOM 0 HB2 GLN A 197 15.663 13.420 9.314 1.00 31.84 H new ATOM 0 HB3 GLN A 197 16.544 14.050 8.191 1.00 31.84 H new ATOM 0 HG2 GLN A 197 17.495 11.835 7.844 1.00 37.27 H new ATOM 0 HG3 GLN A 197 16.383 11.285 8.790 1.00 37.27 H new ATOM 0 HE21 GLN A 197 16.447 10.236 6.365 1.00 31.60 H new ATOM 0 HE22 GLN A 197 15.335 10.701 5.490 1.00 31.60 H new ATOM 1514 N PRO A 198 18.330 15.714 10.886 1.00 32.09 N ATOM 1515 CA PRO A 198 18.028 16.940 11.637 1.00 31.44 C ATOM 1516 C PRO A 198 17.065 17.803 10.875 1.00 30.42 C ATOM 1517 O PRO A 198 16.413 18.686 11.453 1.00 29.19 O ATOM 1518 CB PRO A 198 19.379 17.637 11.730 1.00 31.86 C ATOM 1519 CG PRO A 198 20.244 16.994 10.768 1.00 36.65 C ATOM 1520 CD PRO A 198 19.724 15.673 10.425 1.00 32.33 C ATOM 0 HA PRO A 198 17.622 16.762 12.500 1.00 31.44 H new ATOM 0 HB2 PRO A 198 19.292 18.584 11.537 1.00 31.86 H new ATOM 0 HB3 PRO A 198 19.744 17.563 12.626 1.00 31.86 H new ATOM 0 HG2 PRO A 198 20.312 17.540 9.969 1.00 36.65 H new ATOM 0 HG3 PRO A 198 21.139 16.912 11.132 1.00 36.65 H new ATOM 0 HD2 PRO A 198 19.779 15.506 9.471 1.00 32.33 H new ATOM 0 HD3 PRO A 198 20.224 14.968 10.866 1.00 32.33 H new ATOM 1521 N ASP A 199 16.988 17.547 9.569 1.00 28.80 N ATOM 1522 CA ASP A 199 16.203 18.328 8.619 1.00 31.29 C ATOM 1523 C ASP A 199 14.944 17.615 8.104 1.00 30.18 C ATOM 1524 O ASP A 199 14.291 18.118 7.192 1.00 31.15 O ATOM 1525 CB ASP A 199 17.053 18.724 7.398 1.00 30.52 C ATOM 1526 CG ASP A 199 17.851 17.547 6.794 1.00 31.61 C ATOM 1527 OD1 ASP A 199 17.878 16.424 7.340 1.00 32.36 O ATOM 1528 OD2 ASP A 199 18.507 17.789 5.765 1.00 32.28 O ATOM 0 H ASP A 199 17.406 16.891 9.202 1.00 28.80 H new ATOM 0 HA ASP A 199 15.919 19.108 9.121 1.00 31.29 H new ATOM 0 HB2 ASP A 199 16.472 19.096 6.716 1.00 30.52 H new ATOM 0 HB3 ASP A 199 17.671 19.425 7.657 1.00 30.52 H new ATOM 1529 N GLY A 200 14.596 16.495 8.706 1.00 31.48 N ATOM 1530 CA GLY A 200 13.420 15.747 8.282 1.00 31.87 C ATOM 1531 C GLY A 200 12.688 15.193 9.470 1.00 32.12 C ATOM 1532 O GLY A 200 13.051 15.476 10.625 1.00 34.05 O ATOM 0 H GLY A 200 15.025 16.146 9.364 1.00 31.48 H new ATOM 0 HA2 GLY A 200 12.830 16.324 7.773 1.00 31.87 H new ATOM 0 HA3 GLY A 200 13.686 15.023 7.694 1.00 31.87 H new ATOM 1533 N ILE A 201 11.633 14.431 9.195 1.00 32.45 N ATOM 1534 CA ILE A 201 10.888 13.736 10.216 1.00 30.56 C ATOM 1535 C ILE A 201 11.486 12.362 10.465 1.00 32.07 C ATOM 1536 O ILE A 201 11.840 11.664 9.522 1.00 32.98 O ATOM 1537 CB ILE A 201 9.373 13.657 9.842 1.00 30.38 C ATOM 1538 CG1 ILE A 201 8.570 13.260 11.080 1.00 35.41 C ATOM 1539 CG2 ILE A 201 9.124 12.717 8.644 1.00 30.86 C ATOM 1540 CD1 ILE A 201 7.090 13.226 10.822 1.00 34.84 C ATOM 0 H ILE A 201 11.333 14.307 8.399 1.00 32.45 H new ATOM 0 HA ILE A 201 10.951 14.237 11.044 1.00 30.56 H new ATOM 0 HB ILE A 201 9.071 14.531 9.550 1.00 30.38 H new ATOM 0 HG12 ILE A 201 8.862 12.387 11.384 1.00 35.41 H new ATOM 0 HG13 ILE A 201 8.756 13.887 11.797 1.00 35.41 H new ATOM 0 HG21 ILE A 201 8.175 12.694 8.442 1.00 30.86 H new ATOM 0 HG22 ILE A 201 9.611 13.042 7.871 1.00 30.86 H new ATOM 0 HG23 ILE A 201 9.429 11.823 8.865 1.00 30.86 H new ATOM 0 HD11 ILE A 201 6.626 12.970 11.634 1.00 34.84 H new ATOM 0 HD12 ILE A 201 6.790 14.105 10.542 1.00 34.84 H new ATOM 0 HD13 ILE A 201 6.898 12.581 10.123 1.00 34.84 H new ATOM 1541 N ASN A 202 11.611 11.954 11.739 1.00 30.10 N ATOM 1542 CA ASN A 202 12.235 10.678 12.106 1.00 32.89 C ATOM 1543 C ASN A 202 11.286 9.743 12.849 1.00 33.63 C ATOM 1544 O ASN A 202 11.136 9.840 14.082 1.00 34.88 O ATOM 1545 CB ASN A 202 13.442 10.958 13.003 1.00 32.57 C ATOM 1546 CG ASN A 202 14.470 11.851 12.339 1.00 34.03 C ATOM 1547 OD1 ASN A 202 15.386 11.348 11.657 1.00 34.31 O ATOM 1548 ND2 ASN A 202 14.393 13.168 12.598 1.00 28.73 N ATOM 0 H ASN A 202 11.335 12.413 12.412 1.00 30.10 H new ATOM 0 HA ASN A 202 12.494 10.237 11.281 1.00 32.89 H new ATOM 0 HB2 ASN A 202 13.139 11.375 13.825 1.00 32.57 H new ATOM 0 HB3 ASN A 202 13.860 10.118 13.248 1.00 32.57 H new ATOM 0 HD21 ASN A 202 14.991 13.703 12.289 1.00 28.73 H new ATOM 0 HD22 ASN A 202 13.745 13.476 13.073 1.00 28.73 H new ATOM 1549 N VAL A 203 10.589 8.888 12.110 1.00 31.59 N ATOM 1550 CA VAL A 203 9.638 7.960 12.698 1.00 31.24 C ATOM 1551 C VAL A 203 10.280 6.568 12.678 1.00 33.91 C ATOM 1552 O VAL A 203 10.799 6.112 11.634 1.00 31.76 O ATOM 1553 CB VAL A 203 8.273 7.974 11.959 1.00 31.77 C ATOM 1554 CG1 VAL A 203 7.261 7.081 12.693 1.00 33.10 C ATOM 1555 CG2 VAL A 203 7.737 9.401 11.781 1.00 28.93 C ATOM 0 H VAL A 203 10.655 8.831 11.254 1.00 31.59 H new ATOM 0 HA VAL A 203 9.440 8.226 13.610 1.00 31.24 H new ATOM 0 HB VAL A 203 8.410 7.613 11.069 1.00 31.77 H new ATOM 0 HG11 VAL A 203 6.413 7.098 12.222 1.00 33.10 H new ATOM 0 HG12 VAL A 203 7.595 6.171 12.724 1.00 33.10 H new ATOM 0 HG13 VAL A 203 7.135 7.410 13.597 1.00 33.10 H new ATOM 0 HG21 VAL A 203 6.886 9.372 11.317 1.00 28.93 H new ATOM 0 HG22 VAL A 203 7.617 9.813 12.651 1.00 28.93 H new ATOM 0 HG23 VAL A 203 8.370 9.922 11.262 1.00 28.93 H new ATOM 1556 N LEU A 204 10.294 5.918 13.846 1.00 30.24 N ATOM 1557 CA LEU A 204 10.847 4.568 13.969 1.00 33.81 C ATOM 1558 C LEU A 204 9.737 3.655 14.448 1.00 34.53 C ATOM 1559 O LEU A 204 8.862 4.086 15.216 1.00 36.18 O ATOM 1560 CB LEU A 204 12.033 4.535 14.944 1.00 32.85 C ATOM 1561 CG LEU A 204 13.279 5.343 14.570 1.00 35.57 C ATOM 1562 CD1 LEU A 204 13.197 6.794 15.107 1.00 31.40 C ATOM 1563 CD2 LEU A 204 14.541 4.707 15.108 1.00 35.27 C ATOM 0 H LEU A 204 9.987 6.244 14.580 1.00 30.24 H new ATOM 0 HA LEU A 204 11.183 4.272 13.108 1.00 33.81 H new ATOM 0 HB2 LEU A 204 11.720 4.850 15.807 1.00 32.85 H new ATOM 0 HB3 LEU A 204 12.300 3.610 15.059 1.00 32.85 H new ATOM 0 HG LEU A 204 13.312 5.355 13.601 1.00 35.57 H new ATOM 0 HD11 LEU A 204 13.998 7.278 14.854 1.00 31.40 H new ATOM 0 HD12 LEU A 204 12.420 7.236 14.729 1.00 31.40 H new ATOM 0 HD13 LEU A 204 13.121 6.778 16.074 1.00 31.40 H new ATOM 0 HD21 LEU A 204 15.308 5.243 14.853 1.00 35.27 H new ATOM 0 HD22 LEU A 204 14.490 4.655 16.075 1.00 35.27 H new ATOM 0 HD23 LEU A 204 14.635 3.814 14.741 1.00 35.27 H new ATOM 1564 N ASP A 205 9.760 2.406 13.988 1.00 32.57 N ATOM 1565 CA ASP A 205 8.765 1.410 14.343 1.00 32.16 C ATOM 1566 C ASP A 205 9.415 0.215 15.048 1.00 33.24 C ATOM 1567 O ASP A 205 10.276 -0.471 14.469 1.00 33.87 O ATOM 1568 CB ASP A 205 8.067 0.930 13.084 1.00 30.88 C ATOM 1569 CG ASP A 205 6.917 -0.040 13.348 1.00 38.46 C ATOM 1570 OD1 ASP A 205 6.506 -0.216 14.519 1.00 36.79 O ATOM 1571 OD2 ASP A 205 6.393 -0.569 12.325 1.00 38.58 O ATOM 0 H ASP A 205 10.366 2.113 13.452 1.00 32.57 H new ATOM 0 HA ASP A 205 8.124 1.815 14.949 1.00 32.16 H new ATOM 0 HB2 ASP A 205 7.726 1.699 12.600 1.00 30.88 H new ATOM 0 HB3 ASP A 205 8.717 0.498 12.508 1.00 30.88 H new ATOM 1572 N PHE A 206 8.981 -0.032 16.285 1.00 32.07 N ATOM 1573 CA PHE A 206 9.441 -1.188 17.080 1.00 34.40 C ATOM 1574 C PHE A 206 8.276 -2.127 17.399 1.00 33.54 C ATOM 1575 O PHE A 206 7.152 -1.690 17.547 1.00 34.75 O ATOM 1576 CB PHE A 206 10.026 -0.740 18.410 1.00 35.33 C ATOM 1577 CG PHE A 206 11.326 0.020 18.305 1.00 32.30 C ATOM 1578 CD1 PHE A 206 11.339 1.388 18.131 1.00 32.85 C ATOM 1579 CD2 PHE A 206 12.544 -0.648 18.437 1.00 33.12 C ATOM 1580 CE1 PHE A 206 12.564 2.082 18.077 1.00 32.59 C ATOM 1581 CE2 PHE A 206 13.753 0.030 18.362 1.00 35.37 C ATOM 1582 CZ PHE A 206 13.756 1.397 18.170 1.00 33.47 C ATOM 0 H PHE A 206 8.410 0.465 16.693 1.00 32.07 H new ATOM 0 HA PHE A 206 10.113 -1.641 16.548 1.00 34.40 H new ATOM 0 HB2 PHE A 206 9.375 -0.182 18.864 1.00 35.33 H new ATOM 0 HB3 PHE A 206 10.167 -1.522 18.967 1.00 35.33 H new ATOM 0 HD1 PHE A 206 10.538 1.853 18.049 1.00 32.85 H new ATOM 0 HD2 PHE A 206 12.546 -1.567 18.578 1.00 33.12 H new ATOM 0 HE1 PHE A 206 12.568 3.007 17.978 1.00 32.59 H new ATOM 0 HE2 PHE A 206 14.555 -0.434 18.441 1.00 35.37 H new ATOM 0 HZ PHE A 206 14.562 1.856 18.103 1.00 33.47 H new ATOM 1583 N HIS A 207 8.582 -3.404 17.542 1.00 33.44 N ATOM 1584 CA HIS A 207 7.627 -4.412 18.010 1.00 33.56 C ATOM 1585 C HIS A 207 8.036 -4.864 19.412 1.00 32.60 C ATOM 1586 O HIS A 207 9.199 -5.175 19.646 1.00 33.11 O ATOM 1587 CB HIS A 207 7.599 -5.620 17.078 1.00 33.49 C ATOM 1588 CG HIS A 207 7.216 -5.272 15.678 1.00 35.22 C ATOM 1589 ND1 HIS A 207 8.137 -4.818 14.750 1.00 34.61 N ATOM 1590 CD2 HIS A 207 6.013 -5.244 15.067 1.00 36.19 C ATOM 1591 CE1 HIS A 207 7.507 -4.550 13.616 1.00 42.10 C ATOM 1592 NE2 HIS A 207 6.215 -4.787 13.784 1.00 38.07 N ATOM 0 H HIS A 207 9.362 -3.722 17.369 1.00 33.44 H new ATOM 0 HA HIS A 207 6.740 -4.019 18.023 1.00 33.56 H new ATOM 0 HB2 HIS A 207 8.474 -6.038 17.073 1.00 33.49 H new ATOM 0 HB3 HIS A 207 6.973 -6.275 17.425 1.00 33.49 H new ATOM 0 HD1 HIS A 207 8.981 -4.725 14.887 1.00 34.61 H new ATOM 0 HD2 HIS A 207 5.198 -5.488 15.443 1.00 36.19 H new ATOM 0 HE1 HIS A 207 7.906 -4.246 12.833 1.00 42.10 H new ATOM 0 HE2 HIS A 207 5.603 -4.674 13.190 1.00 38.07 H new ATOM 1593 N PRO A 208 7.070 -4.891 20.339 1.00 32.05 N ATOM 1594 CA PRO A 208 7.293 -5.374 21.695 1.00 31.87 C ATOM 1595 C PRO A 208 8.036 -6.704 21.751 1.00 32.37 C ATOM 1596 O PRO A 208 8.975 -6.827 22.545 1.00 31.50 O ATOM 1597 CB PRO A 208 5.879 -5.469 22.255 1.00 33.53 C ATOM 1598 CG PRO A 208 5.191 -4.313 21.628 1.00 31.66 C ATOM 1599 CD PRO A 208 5.733 -4.296 20.194 1.00 31.20 C ATOM 0 HA PRO A 208 7.871 -4.787 22.208 1.00 31.87 H new ATOM 0 HB2 PRO A 208 5.456 -6.309 22.020 1.00 33.53 H new ATOM 0 HB3 PRO A 208 5.872 -5.409 23.223 1.00 33.53 H new ATOM 0 HG2 PRO A 208 4.227 -4.422 21.643 1.00 31.66 H new ATOM 0 HG3 PRO A 208 5.390 -3.485 22.093 1.00 31.66 H new ATOM 0 HD2 PRO A 208 5.174 -4.812 19.592 1.00 31.20 H new ATOM 0 HD3 PRO A 208 5.778 -3.395 19.837 1.00 31.20 H new ATOM 1600 N ILE A 209 7.668 -7.645 20.877 1.00 32.15 N ATOM 1601 CA ILE A 209 8.332 -8.947 20.840 1.00 32.48 C ATOM 1602 C ILE A 209 9.830 -8.787 20.573 1.00 31.27 C ATOM 1603 O ILE A 209 10.648 -9.457 21.206 1.00 32.65 O ATOM 1604 CB ILE A 209 7.667 -9.959 19.840 1.00 32.67 C ATOM 1605 CG1 ILE A 209 8.190 -11.376 20.129 1.00 34.82 C ATOM 1606 CG2 ILE A 209 7.864 -9.548 18.316 1.00 31.41 C ATOM 1607 CD1 ILE A 209 7.924 -11.901 21.612 1.00 29.68 C ATOM 0 H ILE A 209 7.038 -7.548 20.300 1.00 32.15 H new ATOM 0 HA ILE A 209 8.218 -9.340 21.720 1.00 32.48 H new ATOM 0 HB ILE A 209 6.708 -9.939 19.984 1.00 32.67 H new ATOM 0 HG12 ILE A 209 7.779 -11.992 19.503 1.00 34.82 H new ATOM 0 HG13 ILE A 209 9.145 -11.395 19.960 1.00 34.82 H new ATOM 0 HG21 ILE A 209 7.435 -10.205 17.745 1.00 31.41 H new ATOM 0 HG22 ILE A 209 7.466 -8.677 18.161 1.00 31.41 H new ATOM 0 HG23 ILE A 209 8.811 -9.511 18.110 1.00 31.41 H new ATOM 0 HD11 ILE A 209 8.284 -12.797 21.708 1.00 29.68 H new ATOM 0 HD12 ILE A 209 8.357 -11.310 22.247 1.00 29.68 H new ATOM 0 HD13 ILE A 209 6.969 -11.916 21.784 1.00 29.68 H new ATOM 1608 N HIS A 210 10.206 -7.896 19.676 1.00 31.57 N ATOM 1609 CA HIS A 210 11.645 -7.745 19.385 1.00 32.75 C ATOM 1610 C HIS A 210 12.361 -6.970 20.459 1.00 31.81 C ATOM 1611 O HIS A 210 13.532 -7.220 20.744 1.00 31.19 O ATOM 1612 CB HIS A 210 11.880 -7.142 18.003 1.00 32.85 C ATOM 1613 CG HIS A 210 11.359 -7.992 16.896 1.00 33.13 C ATOM 1614 ND1 HIS A 210 11.619 -9.338 16.824 1.00 34.05 N ATOM 1615 CD2 HIS A 210 10.556 -7.704 15.848 1.00 36.62 C ATOM 1616 CE1 HIS A 210 11.021 -9.841 15.760 1.00 37.26 C ATOM 1617 NE2 HIS A 210 10.375 -8.866 15.145 1.00 33.17 N ATOM 0 H HIS A 210 9.679 -7.381 19.233 1.00 31.57 H new ATOM 0 HA HIS A 210 12.026 -8.637 19.380 1.00 32.75 H new ATOM 0 HB2 HIS A 210 11.457 -6.270 17.961 1.00 32.85 H new ATOM 0 HB3 HIS A 210 12.831 -7.002 17.875 1.00 32.85 H new ATOM 0 HD2 HIS A 210 10.194 -6.872 15.642 1.00 36.62 H new ATOM 0 HE1 HIS A 210 11.050 -10.730 15.489 1.00 37.26 H new ATOM 0 HE2 HIS A 210 9.916 -8.947 14.422 1.00 33.17 H new ATOM 1618 N VAL A 211 11.671 -6.021 21.081 1.00 34.66 N ATOM 1619 CA VAL A 211 12.274 -5.300 22.222 1.00 33.16 C ATOM 1620 C VAL A 211 12.474 -6.306 23.365 1.00 31.93 C ATOM 1621 O VAL A 211 13.505 -6.333 24.006 1.00 33.38 O ATOM 1622 CB VAL A 211 11.402 -4.078 22.648 1.00 33.54 C ATOM 1623 CG1 VAL A 211 11.947 -3.386 23.915 1.00 31.10 C ATOM 1624 CG2 VAL A 211 11.303 -3.064 21.457 1.00 30.31 C ATOM 0 H VAL A 211 10.873 -5.777 20.873 1.00 34.66 H new ATOM 0 HA VAL A 211 13.134 -4.930 21.970 1.00 33.16 H new ATOM 0 HB VAL A 211 10.516 -4.404 22.869 1.00 33.54 H new ATOM 0 HG11 VAL A 211 11.378 -2.635 24.144 1.00 31.10 H new ATOM 0 HG12 VAL A 211 11.958 -4.019 24.650 1.00 31.10 H new ATOM 0 HG13 VAL A 211 12.848 -3.069 23.748 1.00 31.10 H new ATOM 0 HG21 VAL A 211 10.761 -2.305 21.722 1.00 30.31 H new ATOM 0 HG22 VAL A 211 12.192 -2.758 21.217 1.00 30.31 H new ATOM 0 HG23 VAL A 211 10.895 -3.501 20.693 1.00 30.31 H new ATOM 1625 N TYR A 212 11.483 -7.142 23.625 1.00 31.62 N ATOM 1626 CA TYR A 212 11.605 -8.141 24.682 1.00 30.49 C ATOM 1627 C TYR A 212 12.767 -9.115 24.470 1.00 30.58 C ATOM 1628 O TYR A 212 13.498 -9.417 25.404 1.00 32.63 O ATOM 1629 CB TYR A 212 10.300 -8.929 24.833 1.00 31.43 C ATOM 1630 CG TYR A 212 10.246 -9.688 26.132 1.00 32.49 C ATOM 1631 CD1 TYR A 212 9.771 -9.082 27.304 1.00 32.91 C ATOM 1632 CD2 TYR A 212 10.713 -10.988 26.219 1.00 31.38 C ATOM 1633 CE1 TYR A 212 9.730 -9.760 28.496 1.00 31.41 C ATOM 1634 CE2 TYR A 212 10.706 -11.653 27.429 1.00 31.19 C ATOM 1635 CZ TYR A 212 10.204 -11.030 28.553 1.00 33.93 C ATOM 1636 OH TYR A 212 10.160 -11.703 29.738 1.00 34.14 O ATOM 0 H TYR A 212 10.733 -7.151 23.205 1.00 31.62 H new ATOM 0 HA TYR A 212 11.793 -7.645 25.494 1.00 30.49 H new ATOM 0 HB2 TYR A 212 9.547 -8.319 24.784 1.00 31.43 H new ATOM 0 HB3 TYR A 212 10.210 -9.550 24.093 1.00 31.43 H new ATOM 0 HD1 TYR A 212 9.477 -8.200 27.273 1.00 32.91 H new ATOM 0 HD2 TYR A 212 11.033 -11.416 25.458 1.00 31.38 H new ATOM 0 HE1 TYR A 212 9.381 -9.354 29.256 1.00 31.41 H new ATOM 0 HE2 TYR A 212 11.039 -12.519 27.486 1.00 31.19 H new ATOM 0 HH TYR A 212 10.481 -12.472 29.636 1.00 34.14 H new HETATM 1637 N MSE A 213 12.921 -9.623 23.257 1.00 30.98 N HETATM 1638 CA MSE A 213 13.977 -10.614 22.963 1.00 33.72 C HETATM 1639 C MSE A 213 15.279 -9.976 22.501 1.00 31.43 C HETATM 1640 O MSE A 213 16.249 -10.690 22.267 1.00 32.42 O HETATM 1641 CB MSE A 213 13.534 -11.586 21.857 1.00 33.23 C HETATM 1642 CG MSE A 213 12.192 -12.299 22.152 1.00 41.67 C HETATM 1643 SE MSE A 213 11.852 -13.653 20.785 0.75 37.41 SE HETATM 1644 CE MSE A 213 12.815 -14.572 21.327 1.00 23.92 C HETATM 0 H MSE A 213 12.430 -9.415 22.582 1.00 30.98 H new HETATM 0 HA MSE A 213 14.127 -11.079 23.801 1.00 33.72 H new HETATM 0 HB2 MSE A 213 13.455 -11.098 21.022 1.00 33.23 H new HETATM 0 HB3 MSE A 213 14.225 -12.255 21.730 1.00 33.23 H new HETATM 0 HG2 MSE A 213 12.221 -12.712 23.029 1.00 41.67 H new HETATM 0 HG3 MSE A 213 11.469 -11.653 22.167 1.00 41.67 H new HETATM 0 HE1 MSE A 213 12.834 -15.377 20.786 1.00 23.92 H new HETATM 0 HE2 MSE A 213 13.693 -14.160 21.324 1.00 23.92 H new HETATM 0 HE3 MSE A 213 12.569 -14.800 22.237 1.00 23.92 H new ATOM 1645 N ASN A 214 15.292 -8.655 22.344 1.00 33.20 N ATOM 1646 CA ASN A 214 16.482 -7.938 21.858 1.00 31.86 C ATOM 1647 C ASN A 214 16.929 -8.521 20.538 1.00 33.04 C ATOM 1648 O ASN A 214 18.119 -8.716 20.276 1.00 32.01 O ATOM 1649 CB ASN A 214 17.613 -7.942 22.877 1.00 30.86 C ATOM 1650 CG ASN A 214 18.796 -7.053 22.464 1.00 34.50 C ATOM 1651 OD1 ASN A 214 18.619 -6.002 21.835 1.00 33.21 O ATOM 1652 ND2 ASN A 214 20.001 -7.475 22.828 1.00 30.50 N ATOM 0 H ASN A 214 14.619 -8.147 22.513 1.00 33.20 H new ATOM 0 HA ASN A 214 16.238 -7.009 21.725 1.00 31.86 H new ATOM 0 HB2 ASN A 214 17.271 -7.640 23.733 1.00 30.86 H new ATOM 0 HB3 ASN A 214 17.926 -8.852 23.001 1.00 30.86 H new ATOM 0 HD21 ASN A 214 20.697 -7.012 22.627 1.00 30.50 H new ATOM 0 HD22 ASN A 214 20.085 -8.211 23.265 1.00 30.50 H new ATOM 1653 N THR A 215 15.952 -8.723 19.670 1.00 33.17 N ATOM 1654 CA THR A 215 16.183 -9.377 18.388 1.00 34.78 C ATOM 1655 C THR A 215 17.245 -8.689 17.525 1.00 35.23 C ATOM 1656 O THR A 215 17.160 -7.494 17.236 1.00 34.97 O ATOM 1657 CB THR A 215 14.897 -9.424 17.549 1.00 36.28 C ATOM 1658 OG1 THR A 215 13.876 -10.060 18.310 1.00 34.11 O ATOM 1659 CG2 THR A 215 15.119 -10.150 16.214 1.00 31.46 C ATOM 0 H THR A 215 15.136 -8.486 19.804 1.00 33.17 H new ATOM 0 HA THR A 215 16.493 -10.266 18.624 1.00 34.78 H new ATOM 0 HB THR A 215 14.627 -8.518 17.333 1.00 36.28 H new ATOM 0 HG1 THR A 215 13.134 -9.946 17.934 1.00 34.11 H new ATOM 0 HG21 THR A 215 14.290 -10.162 15.710 1.00 31.46 H new ATOM 0 HG22 THR A 215 15.801 -9.687 15.703 1.00 31.46 H new ATOM 0 HG23 THR A 215 15.406 -11.061 16.385 1.00 31.46 H new ATOM 1660 N GLU A 216 18.213 -9.499 17.109 1.00 33.73 N ATOM 1661 CA GLU A 216 19.223 -9.107 16.122 1.00 34.86 C ATOM 1662 C GLU A 216 19.118 -9.917 14.809 1.00 37.98 C ATOM 1663 O GLU A 216 19.764 -9.589 13.845 1.00 34.71 O ATOM 1664 CB GLU A 216 20.615 -9.293 16.721 1.00 36.66 C ATOM 1665 CG GLU A 216 21.184 -10.710 16.665 1.00 34.63 C ATOM 1666 CD GLU A 216 20.525 -11.773 17.579 1.00 42.15 C ATOM 1667 OE1 GLU A 216 19.308 -11.795 17.860 1.00 35.91 O ATOM 1668 OE2 GLU A 216 21.258 -12.668 17.986 1.00 38.09 O ATOM 0 H GLU A 216 18.306 -10.305 17.395 1.00 33.73 H new ATOM 0 HA GLU A 216 19.065 -8.176 15.901 1.00 34.86 H new ATOM 0 HB2 GLU A 216 21.228 -8.699 16.260 1.00 36.66 H new ATOM 0 HB3 GLU A 216 20.589 -9.010 17.649 1.00 36.66 H new ATOM 0 HG2 GLU A 216 21.124 -11.022 15.749 1.00 34.63 H new ATOM 0 HG3 GLU A 216 22.127 -10.665 16.888 1.00 34.63 H new ATOM 1669 N ASER A 217 18.368 -11.016 14.829 0.50 37.75 N ATOM 1670 N BSER A 217 18.343 -10.996 14.816 0.50 38.76 N ATOM 1671 CA ASER A 217 18.138 -11.856 13.652 0.50 36.70 C ATOM 1672 CA BSER A 217 18.144 -11.822 13.631 0.50 38.85 C ATOM 1673 C ASER A 217 16.740 -12.423 13.759 0.50 36.54 C ATOM 1674 C BSER A 217 16.773 -12.460 13.741 0.50 37.56 C ATOM 1675 O ASER A 217 16.314 -12.831 14.837 0.50 37.08 O ATOM 1676 O BSER A 217 16.408 -12.969 14.799 0.50 37.97 O ATOM 1677 CB ASER A 217 19.144 -13.009 13.576 0.50 39.38 C ATOM 1678 CB BSER A 217 19.216 -12.910 13.527 0.50 41.29 C ATOM 1679 OG ASER A 217 18.720 -14.018 12.653 0.50 30.51 O ATOM 1680 OG BSER A 217 18.847 -14.089 14.235 0.50 43.46 O ATOM 0 H ASER A 217 17.972 -11.300 15.537 0.50 38.76 H new ATOM 0 H BSER A 217 17.916 -11.271 15.510 0.50 38.76 H new ATOM 0 HA ASER A 217 18.245 -11.319 12.852 0.50 38.85 H new ATOM 0 HA BSER A 217 18.210 -11.272 12.835 0.50 38.85 H new ATOM 0 HB2ASER A 217 20.010 -12.666 13.306 0.50 41.29 H new ATOM 0 HB2BSER A 217 19.366 -13.127 12.594 0.50 41.29 H new ATOM 0 HB3ASER A 217 19.255 -13.401 14.456 0.50 41.29 H new ATOM 0 HB3BSER A 217 20.055 -12.572 13.878 0.50 41.29 H new ATOM 0 HG ASER A 217 19.290 -14.635 12.631 0.50 43.46 H new ATOM 0 HG BSER A 217 19.454 -14.664 14.157 0.50 43.46 H new ATOM 1681 N LEU A 218 16.022 -12.441 12.643 1.00 37.32 N ATOM 1682 CA LEU A 218 14.686 -12.991 12.623 1.00 35.76 C ATOM 1683 C LEU A 218 14.677 -14.496 12.841 1.00 34.57 C ATOM 1684 O LEU A 218 13.629 -15.076 13.144 1.00 35.94 O ATOM 1685 CB LEU A 218 13.962 -12.619 11.343 1.00 38.20 C ATOM 1686 CG LEU A 218 13.723 -11.111 11.216 1.00 38.72 C ATOM 1687 CD1 LEU A 218 13.040 -10.748 9.896 1.00 41.20 C ATOM 1688 CD2 LEU A 218 12.910 -10.600 12.412 1.00 32.82 C ATOM 0 H ALEU A 218 16.296 -12.137 11.887 0.50 37.32 H new ATOM 0 H BLEU A 218 16.279 -12.108 11.893 0.50 37.32 H new ATOM 0 HA LEU A 218 14.207 -12.596 13.368 1.00 35.76 H new ATOM 0 HB2 LEU A 218 14.480 -12.926 10.582 1.00 38.20 H new ATOM 0 HB3 LEU A 218 13.110 -13.082 11.312 1.00 38.20 H new ATOM 0 HG LEU A 218 14.589 -10.674 11.216 1.00 38.72 H new ATOM 0 HD11 LEU A 218 12.907 -9.788 9.854 1.00 41.20 H new ATOM 0 HD12 LEU A 218 13.598 -11.029 9.154 1.00 41.20 H new ATOM 0 HD13 LEU A 218 12.181 -11.196 9.842 1.00 41.20 H new ATOM 0 HD21 LEU A 218 12.765 -9.645 12.321 1.00 32.82 H new ATOM 0 HD22 LEU A 218 12.054 -11.055 12.440 1.00 32.82 H new ATOM 0 HD23 LEU A 218 13.396 -10.776 13.233 1.00 32.82 H new ATOM 1689 N ARG A 219 15.836 -15.144 12.719 1.00 35.58 N ATOM 1690 CA ARG A 219 15.902 -16.551 12.994 1.00 36.31 C ATOM 1691 C ARG A 219 15.694 -16.813 14.493 1.00 37.34 C ATOM 1692 O ARG A 219 15.141 -17.822 14.865 1.00 38.70 O ATOM 1693 CB ARG A 219 17.250 -17.111 12.493 1.00 37.80 C ATOM 1694 CG ARG A 219 17.341 -18.633 12.484 1.00 46.03 C ATOM 1695 CD ARG A 219 16.210 -19.291 11.682 1.00 51.68 C ATOM 1696 NE ARG A 219 16.230 -20.739 11.837 1.00 58.59 N ATOM 1697 CZ ARG A 219 16.999 -21.570 11.138 1.00 56.48 C ATOM 1698 NH1 ARG A 219 17.819 -21.125 10.195 1.00 61.53 N ATOM 1699 NH2 ARG A 219 16.934 -22.869 11.380 1.00 64.30 N ATOM 0 H ARG A 219 16.579 -14.782 12.481 1.00 35.58 H new ATOM 0 HA ARG A 219 15.190 -17.011 12.521 1.00 36.31 H new ATOM 0 HB2 ARG A 219 17.408 -16.784 11.594 1.00 37.80 H new ATOM 0 HB3 ARG A 219 17.961 -16.760 13.052 1.00 37.80 H new ATOM 0 HG2 ARG A 219 18.195 -18.900 12.109 1.00 46.03 H new ATOM 0 HG3 ARG A 219 17.317 -18.960 13.397 1.00 46.03 H new ATOM 0 HD2 ARG A 219 15.355 -18.943 11.979 1.00 51.68 H new ATOM 0 HD3 ARG A 219 16.299 -19.062 10.744 1.00 51.68 H new ATOM 0 HE ARG A 219 15.705 -21.083 12.425 1.00 58.59 H new ATOM 0 HH11 ARG A 219 17.862 -20.283 10.024 1.00 61.53 H new ATOM 0 HH12 ARG A 219 18.308 -21.678 9.754 1.00 61.53 H new ATOM 0 HH21 ARG A 219 16.399 -23.168 11.983 1.00 64.30 H new ATOM 0 HH22 ARG A 219 17.427 -23.415 10.934 1.00 64.30 H new ATOM 1700 N ARG A 220 16.140 -15.905 15.358 1.00 37.07 N ATOM 1701 CA ARG A 220 15.889 -16.034 16.801 1.00 34.97 C ATOM 1702 C ARG A 220 14.378 -15.991 17.033 1.00 34.61 C ATOM 1703 O ARG A 220 13.801 -16.820 17.749 1.00 37.55 O ATOM 1704 CB ARG A 220 16.577 -14.900 17.578 1.00 35.68 C ATOM 1705 CG ARG A 220 16.379 -14.926 19.106 1.00 36.89 C ATOM 1706 CD ARG A 220 16.957 -13.708 19.842 1.00 35.77 C ATOM 1707 NE ARG A 220 18.416 -13.711 19.740 1.00 34.41 N ATOM 1708 CZ ARG A 220 19.222 -14.442 20.494 1.00 37.85 C ATOM 1709 NH1 ARG A 220 18.745 -15.254 21.422 1.00 35.07 N ATOM 1710 NH2 ARG A 220 20.532 -14.374 20.284 1.00 35.80 N ATOM 0 H ARG A 220 16.589 -15.207 15.135 1.00 37.07 H new ATOM 0 HA ARG A 220 16.253 -16.874 17.120 1.00 34.97 H new ATOM 0 HB2 ARG A 220 17.528 -14.932 17.390 1.00 35.68 H new ATOM 0 HB3 ARG A 220 16.249 -14.052 17.240 1.00 35.68 H new ATOM 0 HG2 ARG A 220 15.430 -14.985 19.297 1.00 36.89 H new ATOM 0 HG3 ARG A 220 16.790 -15.730 19.461 1.00 36.89 H new ATOM 0 HD2 ARG A 220 16.600 -12.891 19.461 1.00 35.77 H new ATOM 0 HD3 ARG A 220 16.690 -13.727 20.774 1.00 35.77 H new ATOM 0 HE ARG A 220 18.776 -13.202 19.148 1.00 34.41 H new ATOM 0 HH11 ARG A 220 17.896 -15.315 21.545 1.00 35.07 H new ATOM 0 HH12 ARG A 220 19.284 -15.721 21.903 1.00 35.07 H new ATOM 0 HH21 ARG A 220 20.843 -13.862 19.667 1.00 35.80 H new ATOM 0 HH22 ARG A 220 21.069 -14.842 20.765 1.00 35.80 H new ATOM 1711 N TYR A 221 13.718 -15.062 16.355 1.00 35.25 N ATOM 1712 CA TYR A 221 12.288 -14.910 16.444 1.00 33.87 C ATOM 1713 C TYR A 221 11.572 -16.169 15.970 1.00 33.63 C ATOM 1714 O TYR A 221 10.658 -16.673 16.636 1.00 33.90 O ATOM 1715 CB TYR A 221 11.882 -13.689 15.631 1.00 36.44 C ATOM 1716 CG TYR A 221 10.410 -13.544 15.483 1.00 36.92 C ATOM 1717 CD1 TYR A 221 9.645 -12.982 16.501 1.00 39.45 C ATOM 1718 CD2 TYR A 221 9.764 -13.964 14.323 1.00 45.82 C ATOM 1719 CE1 TYR A 221 8.278 -12.834 16.378 1.00 41.49 C ATOM 1720 CE2 TYR A 221 8.387 -13.847 14.201 1.00 48.30 C ATOM 1721 CZ TYR A 221 7.653 -13.266 15.228 1.00 47.95 C ATOM 1722 OH TYR A 221 6.284 -13.143 15.131 1.00 44.62 O ATOM 0 H TYR A 221 14.098 -14.500 15.827 1.00 35.25 H new ATOM 0 HA TYR A 221 12.027 -14.778 17.369 1.00 33.87 H new ATOM 0 HB2 TYR A 221 12.238 -12.893 16.055 1.00 36.44 H new ATOM 0 HB3 TYR A 221 12.285 -13.746 14.751 1.00 36.44 H new ATOM 0 HD1 TYR A 221 10.064 -12.700 17.282 1.00 39.45 H new ATOM 0 HD2 TYR A 221 10.260 -14.326 13.624 1.00 45.82 H new ATOM 0 HE1 TYR A 221 7.784 -12.447 17.064 1.00 41.49 H new ATOM 0 HE2 TYR A 221 7.957 -14.156 13.436 1.00 48.30 H new ATOM 0 HH TYR A 221 6.028 -13.439 14.388 1.00 44.62 H new ATOM 1723 N GLU A 222 11.991 -16.701 14.834 1.00 34.25 N ATOM 1724 CA GLU A 222 11.374 -17.912 14.310 1.00 37.46 C ATOM 1725 C GLU A 222 11.670 -19.148 15.163 1.00 35.44 C ATOM 1726 O GLU A 222 10.780 -19.968 15.375 1.00 34.88 O ATOM 1727 CB GLU A 222 11.800 -18.150 12.863 1.00 40.70 C ATOM 1728 CG GLU A 222 11.270 -17.112 11.870 1.00 45.25 C ATOM 1729 CD GLU A 222 9.745 -17.126 11.743 1.00 56.98 C ATOM 1730 OE1 GLU A 222 9.158 -18.236 11.883 1.00 53.33 O ATOM 1731 OE2 GLU A 222 9.137 -16.030 11.501 1.00 48.92 O ATOM 0 H GLU A 222 12.627 -16.381 14.352 1.00 34.25 H new ATOM 0 HA GLU A 222 10.415 -17.771 14.343 1.00 37.46 H new ATOM 0 HB2 GLU A 222 12.769 -18.158 12.820 1.00 40.70 H new ATOM 0 HB3 GLU A 222 11.496 -19.029 12.588 1.00 40.70 H new ATOM 0 HG2 GLU A 222 11.558 -16.229 12.149 1.00 45.25 H new ATOM 0 HG3 GLU A 222 11.663 -17.276 10.999 1.00 45.25 H new ATOM 1732 N ASP A 223 12.899 -19.290 15.650 1.00 33.14 N ATOM 1733 CA ASP A 223 13.262 -20.432 16.488 1.00 34.09 C ATOM 1734 C ASP A 223 12.505 -20.485 17.813 1.00 35.34 C ATOM 1735 O ASP A 223 12.325 -21.561 18.371 1.00 33.91 O ATOM 1736 CB ASP A 223 14.757 -20.432 16.829 1.00 35.52 C ATOM 1737 CG ASP A 223 15.659 -20.781 15.649 1.00 38.49 C ATOM 1738 OD1 ASP A 223 15.151 -21.212 14.606 1.00 39.52 O ATOM 1739 OD2 ASP A 223 16.893 -20.598 15.792 1.00 46.03 O ATOM 0 H ASP A 223 13.540 -18.735 15.507 1.00 33.14 H new ATOM 0 HA ASP A 223 13.023 -21.205 15.953 1.00 34.09 H new ATOM 0 HB2 ASP A 223 15.003 -19.556 17.165 1.00 35.52 H new ATOM 0 HB3 ASP A 223 14.917 -21.066 17.546 1.00 35.52 H new ATOM 1740 N SER A 224 12.119 -19.326 18.332 1.00 34.76 N ATOM 1741 CA SER A 224 11.490 -19.210 19.631 1.00 35.00 C ATOM 1742 C SER A 224 9.955 -19.165 19.575 1.00 36.94 C ATOM 1743 O SER A 224 9.313 -18.933 20.601 1.00 35.04 O ATOM 1744 CB SER A 224 11.969 -17.924 20.289 1.00 34.40 C ATOM 1745 OG SER A 224 11.652 -16.757 19.513 1.00 35.42 O ATOM 0 H SER A 224 12.219 -18.573 17.928 1.00 34.76 H new ATOM 0 HA SER A 224 11.739 -20.003 20.131 1.00 35.00 H new ATOM 0 HB2 SER A 224 11.565 -17.844 21.167 1.00 34.40 H new ATOM 0 HB3 SER A 224 12.929 -17.970 20.421 1.00 34.40 H new ATOM 0 HG SER A 224 12.244 -16.639 18.929 1.00 35.42 H new ATOM 1746 N ARG A 225 9.381 -19.397 18.395 1.00 39.11 N ATOM 1747 CA ARG A 225 7.949 -19.202 18.153 1.00 41.26 C ATOM 1748 C ARG A 225 7.035 -19.815 19.188 1.00 40.77 C ATOM 1749 O ARG A 225 6.057 -19.207 19.613 1.00 38.98 O ATOM 1750 CB ARG A 225 7.553 -19.791 16.802 1.00 43.87 C ATOM 1751 CG ARG A 225 7.976 -18.983 15.624 1.00 59.85 C ATOM 1752 CD ARG A 225 7.240 -19.440 14.367 1.00 70.55 C ATOM 1753 NE ARG A 225 6.001 -18.691 14.234 1.00 72.74 N ATOM 1754 CZ ARG A 225 5.918 -17.457 13.752 1.00 73.43 C ATOM 1755 NH1 ARG A 225 6.998 -16.824 13.337 1.00 76.40 N ATOM 1756 NH2 ARG A 225 4.744 -16.850 13.689 1.00 77.84 N ATOM 0 H ARG A 225 9.814 -19.674 17.706 1.00 39.11 H new ATOM 0 HA ARG A 225 7.832 -18.240 18.189 1.00 41.26 H new ATOM 0 HB2 ARG A 225 7.936 -20.679 16.725 1.00 43.87 H new ATOM 0 HB3 ARG A 225 6.589 -19.895 16.778 1.00 43.87 H new ATOM 0 HG2 ARG A 225 7.795 -18.044 15.788 1.00 59.85 H new ATOM 0 HG3 ARG A 225 8.933 -19.069 15.494 1.00 59.85 H new ATOM 0 HD2 ARG A 225 7.798 -19.303 13.585 1.00 70.55 H new ATOM 0 HD3 ARG A 225 7.051 -20.390 14.418 1.00 70.55 H new ATOM 0 HE ARG A 225 5.273 -19.073 14.485 1.00 72.74 H new ATOM 0 HH11 ARG A 225 7.765 -17.211 13.377 1.00 76.40 H new ATOM 0 HH12 ARG A 225 6.935 -16.025 13.026 1.00 76.40 H new ATOM 0 HH21 ARG A 225 4.035 -17.255 13.960 1.00 77.84 H new ATOM 0 HH22 ARG A 225 4.690 -16.051 13.377 1.00 77.84 H new ATOM 1757 N GLU A 226 7.355 -21.027 19.601 1.00 40.07 N ATOM 1758 CA GLU A 226 6.518 -21.710 20.565 1.00 41.58 C ATOM 1759 C GLU A 226 6.569 -21.129 21.979 1.00 40.00 C ATOM 1760 O GLU A 226 5.762 -21.522 22.812 1.00 38.25 O ATOM 1761 CB GLU A 226 6.889 -23.191 20.611 1.00 40.96 C ATOM 1762 CG GLU A 226 6.669 -23.886 19.279 1.00 51.48 C ATOM 1763 CD GLU A 226 5.254 -23.680 18.767 1.00 65.48 C ATOM 1764 OE1 GLU A 226 4.321 -24.245 19.383 1.00 70.14 O ATOM 1765 OE2 GLU A 226 5.072 -22.940 17.763 1.00 75.51 O ATOM 0 H GLU A 226 8.045 -21.468 19.339 1.00 40.07 H new ATOM 0 HA GLU A 226 5.607 -21.584 20.257 1.00 41.58 H new ATOM 0 HB2 GLU A 226 7.820 -23.281 20.870 1.00 40.96 H new ATOM 0 HB3 GLU A 226 6.361 -23.633 21.294 1.00 40.96 H new ATOM 0 HG2 GLU A 226 7.302 -23.546 18.628 1.00 51.48 H new ATOM 0 HG3 GLU A 226 6.844 -24.835 19.376 1.00 51.48 H new ATOM 1766 N AVAL A 227 7.475 -20.180 22.209 0.50 37.67 N ATOM 1767 N BVAL A 227 7.500 -20.219 22.271 0.50 37.86 N ATOM 1768 CA AVAL A 227 7.704 -19.630 23.532 0.50 36.30 C ATOM 1769 CA BVAL A 227 7.567 -19.650 23.622 0.50 36.32 C ATOM 1770 C AVAL A 227 7.251 -18.179 23.657 0.50 34.25 C ATOM 1771 C BVAL A 227 7.243 -18.163 23.669 0.50 34.52 C ATOM 1772 O AVAL A 227 7.272 -17.631 24.751 0.50 32.80 O ATOM 1773 O BVAL A 227 7.360 -17.559 24.726 0.50 33.92 O ATOM 1774 CB AVAL A 227 9.212 -19.715 23.874 0.50 37.96 C ATOM 1775 CB BVAL A 227 8.938 -19.911 24.331 0.50 37.93 C ATOM 1776 CG1AVAL A 227 9.445 -19.513 25.361 0.50 37.59 C ATOM 1777 CG1BVAL A 227 9.130 -21.408 24.627 0.50 37.24 C ATOM 1778 CG2AVAL A 227 9.769 -21.061 23.434 0.50 37.85 C ATOM 1779 CG2BVAL A 227 10.096 -19.338 23.519 0.50 35.11 C ATOM 0 H AVAL A 227 7.973 -19.839 21.596 0.50 37.86 H new ATOM 0 H BVAL A 227 8.089 -19.923 21.718 0.50 37.86 H new ATOM 0 HA AVAL A 227 7.176 -20.157 24.152 0.50 36.32 H new ATOM 0 HA BVAL A 227 6.876 -20.123 24.111 0.50 36.32 H new ATOM 0 HB AVAL A 227 9.673 -19.007 23.397 0.50 37.93 H new ATOM 0 HB BVAL A 227 8.930 -19.448 25.183 0.50 37.93 H new ATOM 0 HG11AVAL A 227 10.395 -19.570 25.551 0.50 37.24 H new ATOM 0 HG11BVAL A 227 9.984 -21.544 25.065 0.50 37.24 H new ATOM 0 HG12AVAL A 227 9.115 -18.640 25.625 0.50 37.24 H new ATOM 0 HG12BVAL A 227 8.417 -21.718 25.207 0.50 37.24 H new ATOM 0 HG13AVAL A 227 8.974 -20.200 25.859 0.50 37.24 H new ATOM 0 HG13BVAL A 227 9.110 -21.908 23.796 0.50 37.24 H new ATOM 0 HG21AVAL A 227 10.713 -21.107 23.651 0.50 35.11 H new ATOM 0 HG21BVAL A 227 10.932 -19.513 23.979 0.50 35.11 H new ATOM 0 HG22AVAL A 227 9.297 -21.773 23.894 0.50 35.11 H new ATOM 0 HG22BVAL A 227 10.116 -19.756 22.644 0.50 35.11 H new ATOM 0 HG23AVAL A 227 9.653 -21.162 22.476 0.50 35.11 H new ATOM 0 HG23BVAL A 227 9.978 -18.381 23.417 0.50 35.11 H new ATOM 1780 N HIS A 228 6.789 -17.576 22.558 1.00 34.12 N ATOM 1781 CA HIS A 228 6.464 -16.133 22.527 1.00 33.81 C ATOM 1782 C HIS A 228 5.407 -15.681 23.510 1.00 33.18 C ATOM 1783 O HIS A 228 5.309 -14.490 23.799 1.00 32.71 O ATOM 1784 CB HIS A 228 6.091 -15.628 21.121 1.00 33.05 C ATOM 1785 CG HIS A 228 7.209 -15.711 20.128 1.00 38.35 C ATOM 1786 ND1 HIS A 228 7.018 -15.549 18.774 1.00 35.96 N ATOM 1787 CD2 HIS A 228 8.524 -15.992 20.292 1.00 33.64 C ATOM 1788 CE1 HIS A 228 8.173 -15.699 18.149 1.00 36.30 C ATOM 1789 NE2 HIS A 228 9.102 -15.990 19.049 1.00 32.34 N ATOM 0 H AHIS A 228 6.654 -17.983 21.812 0.50 34.12 H new ATOM 0 H BHIS A 228 6.661 -17.987 21.814 0.50 34.12 H new ATOM 0 HA HIS A 228 7.300 -15.729 22.808 1.00 33.81 H new ATOM 0 HB2 HIS A 228 5.339 -16.144 20.791 1.00 33.05 H new ATOM 0 HB3 HIS A 228 5.796 -14.706 21.186 1.00 33.05 H new ATOM 0 HD2 HIS A 228 8.955 -16.156 21.099 1.00 33.64 H new ATOM 0 HE1 HIS A 228 8.311 -15.615 17.233 1.00 36.30 H new ATOM 0 HE2 HIS A 228 9.930 -16.151 18.881 1.00 32.34 H new ATOM 1790 N ARG A 229 4.621 -16.611 24.034 1.00 32.56 N ATOM 1791 CA ARG A 229 3.628 -16.257 25.023 1.00 36.39 C ATOM 1792 C ARG A 229 3.899 -16.955 26.357 1.00 37.00 C ATOM 1793 O ARG A 229 3.018 -17.009 27.198 1.00 36.25 O ATOM 1794 CB ARG A 229 2.239 -16.612 24.490 1.00 35.21 C ATOM 1795 CG ARG A 229 2.019 -16.134 23.051 1.00 36.84 C ATOM 1796 CD ARG A 229 0.592 -16.339 22.596 1.00 42.90 C ATOM 1797 NE ARG A 229 -0.270 -15.418 23.315 1.00 47.66 N ATOM 1798 CZ ARG A 229 -0.562 -14.184 22.917 1.00 41.49 C ATOM 1799 NH1 ARG A 229 -0.115 -13.706 21.778 1.00 43.30 N ATOM 1800 NH2 ARG A 229 -1.331 -13.431 23.674 1.00 53.46 N ATOM 0 H ARG A 229 4.649 -17.446 23.830 1.00 32.56 H new ATOM 0 HA ARG A 229 3.673 -15.302 25.187 1.00 36.39 H new ATOM 0 HB2 ARG A 229 2.117 -17.574 24.530 1.00 35.21 H new ATOM 0 HB3 ARG A 229 1.565 -16.217 25.065 1.00 35.21 H new ATOM 0 HG2 ARG A 229 2.246 -15.193 22.986 1.00 36.84 H new ATOM 0 HG3 ARG A 229 2.619 -16.612 22.457 1.00 36.84 H new ATOM 0 HD2 ARG A 229 0.520 -16.189 21.640 1.00 42.90 H new ATOM 0 HD3 ARG A 229 0.316 -17.254 22.761 1.00 42.90 H new ATOM 0 HE ARG A 229 -0.617 -15.691 24.053 1.00 47.66 H new ATOM 0 HH11 ARG A 229 0.379 -14.195 21.271 1.00 43.30 H new ATOM 0 HH12 ARG A 229 -0.316 -12.905 21.540 1.00 43.30 H new ATOM 0 HH21 ARG A 229 -1.638 -13.739 24.416 1.00 53.46 H new ATOM 0 HH22 ARG A 229 -1.527 -12.631 23.427 1.00 53.46 H new ATOM 1801 N ASN A 230 5.129 -17.440 26.563 1.00 35.71 N ATOM 1802 CA ASN A 230 5.518 -18.158 27.779 1.00 35.06 C ATOM 1803 C ASN A 230 6.339 -17.235 28.676 1.00 36.76 C ATOM 1804 O ASN A 230 7.511 -16.984 28.398 1.00 36.27 O ATOM 1805 CB ASN A 230 6.333 -19.375 27.399 1.00 36.16 C ATOM 1806 CG ASN A 230 6.634 -20.266 28.565 1.00 37.28 C ATOM 1807 OD1 ASN A 230 6.802 -19.808 29.697 1.00 35.71 O ATOM 1808 ND2 ASN A 230 6.743 -21.556 28.293 1.00 33.88 N ATOM 0 H ASN A 230 5.767 -17.359 25.992 1.00 35.71 H new ATOM 0 HA ASN A 230 4.726 -18.442 28.261 1.00 35.06 H new ATOM 0 HB2 ASN A 230 5.853 -19.882 26.726 1.00 36.16 H new ATOM 0 HB3 ASN A 230 7.166 -19.087 26.995 1.00 36.16 H new ATOM 0 HD21 ASN A 230 6.938 -22.112 28.919 1.00 33.88 H new ATOM 0 HD22 ASN A 230 6.618 -21.838 27.490 1.00 33.88 H new ATOM 1809 N PRO A 231 5.720 -16.690 29.732 1.00 37.00 N ATOM 1810 CA PRO A 231 6.395 -15.727 30.587 1.00 38.68 C ATOM 1811 C PRO A 231 7.540 -16.241 31.417 1.00 41.50 C ATOM 1812 O PRO A 231 8.278 -15.431 31.956 1.00 45.85 O ATOM 1813 CB PRO A 231 5.269 -15.224 31.480 1.00 37.34 C ATOM 1814 CG PRO A 231 4.335 -16.309 31.511 1.00 42.20 C ATOM 1815 CD PRO A 231 4.329 -16.873 30.150 1.00 37.16 C ATOM 0 HA PRO A 231 6.835 -15.057 30.040 1.00 38.68 H new ATOM 0 HB2 PRO A 231 5.591 -15.008 32.369 1.00 37.34 H new ATOM 0 HB3 PRO A 231 4.865 -14.418 31.121 1.00 37.34 H new ATOM 0 HG2 PRO A 231 4.599 -16.977 32.163 1.00 42.20 H new ATOM 0 HG3 PRO A 231 3.451 -16.000 31.763 1.00 42.20 H new ATOM 0 HD2 PRO A 231 4.070 -17.808 30.147 1.00 37.16 H new ATOM 0 HD3 PRO A 231 3.711 -16.405 29.567 1.00 37.16 H new ATOM 1816 N VAL A 232 7.693 -17.564 31.504 1.00 41.74 N ATOM 1817 CA VAL A 232 8.780 -18.189 32.224 1.00 41.22 C ATOM 1818 C VAL A 232 9.967 -18.435 31.316 1.00 39.61 C ATOM 1819 O VAL A 232 11.082 -18.131 31.663 1.00 44.15 O ATOM 1820 CB VAL A 232 8.337 -19.548 32.817 1.00 43.19 C ATOM 1821 CG1 VAL A 232 9.529 -20.303 33.431 1.00 40.41 C ATOM 1822 CG2 VAL A 232 7.209 -19.349 33.849 1.00 42.89 C ATOM 0 H VAL A 232 7.154 -18.125 31.137 1.00 41.74 H new ATOM 0 HA VAL A 232 9.034 -17.582 32.937 1.00 41.22 H new ATOM 0 HB VAL A 232 7.990 -20.093 32.094 1.00 43.19 H new ATOM 0 HG11 VAL A 232 9.224 -21.149 33.794 1.00 40.41 H new ATOM 0 HG12 VAL A 232 10.196 -20.467 32.746 1.00 40.41 H new ATOM 0 HG13 VAL A 232 9.920 -19.769 34.140 1.00 40.41 H new ATOM 0 HG21 VAL A 232 6.944 -20.210 34.210 1.00 42.89 H new ATOM 0 HG22 VAL A 232 7.525 -18.781 34.569 1.00 42.89 H new ATOM 0 HG23 VAL A 232 6.447 -18.931 33.419 1.00 42.89 H new ATOM 1823 N ASP A 233 9.734 -18.969 30.131 1.00 36.56 N ATOM 1824 CA ASP A 233 10.824 -19.347 29.253 1.00 35.25 C ATOM 1825 C ASP A 233 11.308 -18.253 28.285 1.00 33.81 C ATOM 1826 O ASP A 233 12.452 -18.291 27.834 1.00 33.17 O ATOM 1827 CB ASP A 233 10.396 -20.523 28.390 1.00 36.62 C ATOM 1828 CG ASP A 233 10.370 -21.847 29.138 1.00 45.13 C ATOM 1829 OD1 ASP A 233 10.533 -21.864 30.398 1.00 40.06 O ATOM 1830 OD2 ASP A 233 10.166 -22.864 28.418 1.00 53.72 O ATOM 0 H ASP A 233 8.949 -19.122 29.815 1.00 36.56 H new ATOM 0 HA ASP A 233 11.557 -19.549 29.856 1.00 35.25 H new ATOM 0 HB2 ASP A 233 9.513 -20.346 28.030 1.00 36.62 H new ATOM 0 HB3 ASP A 233 11.001 -20.598 27.635 1.00 36.62 H new ATOM 1831 N LEU A 234 10.444 -17.316 27.909 1.00 33.09 N ATOM 1832 CA LEU A 234 10.826 -16.376 26.853 1.00 30.22 C ATOM 1833 C LEU A 234 12.067 -15.571 27.178 1.00 30.66 C ATOM 1834 O LEU A 234 12.877 -15.285 26.282 1.00 31.31 O ATOM 1835 CB LEU A 234 9.662 -15.452 26.468 1.00 33.25 C ATOM 1836 CG LEU A 234 9.893 -14.589 25.208 1.00 32.11 C ATOM 1837 CD1 LEU A 234 10.251 -15.455 23.989 1.00 31.42 C ATOM 1838 CD2 LEU A 234 8.695 -13.635 24.897 1.00 28.56 C ATOM 0 H LEU A 234 9.657 -17.206 28.238 1.00 33.09 H new ATOM 0 HA LEU A 234 11.050 -16.926 26.086 1.00 30.22 H new ATOM 0 HB2 LEU A 234 8.870 -15.995 26.330 1.00 33.25 H new ATOM 0 HB3 LEU A 234 9.475 -14.863 27.216 1.00 33.25 H new ATOM 0 HG LEU A 234 10.654 -14.020 25.404 1.00 32.11 H new ATOM 0 HD11 LEU A 234 10.389 -14.885 23.216 1.00 31.42 H new ATOM 0 HD12 LEU A 234 11.063 -15.953 24.173 1.00 31.42 H new ATOM 0 HD13 LEU A 234 9.527 -16.074 23.808 1.00 31.42 H new ATOM 0 HD21 LEU A 234 8.891 -13.118 24.100 1.00 28.56 H new ATOM 0 HD22 LEU A 234 7.892 -14.160 24.752 1.00 28.56 H new ATOM 0 HD23 LEU A 234 8.557 -13.034 25.646 1.00 28.56 H new ATOM 1839 N ILE A 235 12.226 -15.193 28.442 1.00 30.41 N ATOM 1840 CA ILE A 235 13.354 -14.357 28.851 1.00 31.11 C ATOM 1841 C ILE A 235 14.718 -15.055 28.552 1.00 29.83 C ATOM 1842 O ILE A 235 15.743 -14.380 28.321 1.00 28.82 O ATOM 1843 CB ILE A 235 13.248 -14.019 30.377 1.00 30.76 C ATOM 1844 CG1 ILE A 235 14.349 -13.043 30.810 1.00 38.12 C ATOM 1845 CG2 ILE A 235 13.291 -15.267 31.234 1.00 33.44 C ATOM 1846 CD1 ILE A 235 14.313 -11.778 30.068 1.00 32.70 C ATOM 0 H ILE A 235 11.692 -15.409 29.080 1.00 30.41 H new ATOM 0 HA ILE A 235 13.318 -13.535 28.337 1.00 31.11 H new ATOM 0 HB ILE A 235 12.387 -13.592 30.510 1.00 30.76 H new ATOM 0 HG12 ILE A 235 14.258 -12.859 31.758 1.00 38.12 H new ATOM 0 HG13 ILE A 235 15.215 -13.462 30.684 1.00 38.12 H new ATOM 0 HG21 ILE A 235 13.223 -15.020 32.170 1.00 33.44 H new ATOM 0 HG22 ILE A 235 12.550 -15.847 30.999 1.00 33.44 H new ATOM 0 HG23 ILE A 235 14.127 -15.735 31.083 1.00 33.44 H new ATOM 0 HD11 ILE A 235 15.027 -11.200 30.379 1.00 32.70 H new ATOM 0 HD12 ILE A 235 14.430 -11.954 29.121 1.00 32.70 H new ATOM 0 HD13 ILE A 235 13.458 -11.342 30.212 1.00 32.70 H new ATOM 1847 N ARG A 236 14.710 -16.393 28.539 1.00 30.21 N ATOM 1848 CA ARG A 236 15.924 -17.184 28.271 1.00 30.19 C ATOM 1849 C ARG A 236 16.407 -16.982 26.816 1.00 28.93 C ATOM 1850 O ARG A 236 17.563 -17.189 26.512 1.00 30.75 O ATOM 1851 CB ARG A 236 15.685 -18.662 28.531 1.00 30.52 C ATOM 1852 CG ARG A 236 15.394 -19.007 29.997 1.00 30.79 C ATOM 1853 CD ARG A 236 15.298 -20.447 30.207 1.00 29.68 C ATOM 1854 NE ARG A 236 16.559 -21.119 29.901 1.00 26.81 N ATOM 1855 CZ ARG A 236 16.653 -22.423 29.672 1.00 27.59 C ATOM 1856 NH1 ARG A 236 15.598 -23.213 29.802 1.00 29.69 N ATOM 1857 NH2 ARG A 236 17.807 -22.963 29.344 1.00 26.15 N ATOM 0 H ARG A 236 14.007 -16.867 28.684 1.00 30.21 H new ATOM 0 HA ARG A 236 16.613 -16.870 28.877 1.00 30.19 H new ATOM 0 HB2 ARG A 236 14.940 -18.959 27.986 1.00 30.52 H new ATOM 0 HB3 ARG A 236 16.465 -19.161 28.241 1.00 30.52 H new ATOM 0 HG2 ARG A 236 16.096 -18.644 30.560 1.00 30.79 H new ATOM 0 HG3 ARG A 236 14.565 -18.585 30.270 1.00 30.79 H new ATOM 0 HD2 ARG A 236 15.051 -20.625 31.128 1.00 29.68 H new ATOM 0 HD3 ARG A 236 14.593 -20.810 29.649 1.00 29.68 H new ATOM 0 HE ARG A 236 17.276 -20.646 29.868 1.00 26.81 H new ATOM 0 HH11 ARG A 236 14.840 -22.883 30.038 1.00 29.69 H new ATOM 0 HH12 ARG A 236 15.671 -24.056 29.651 1.00 29.69 H new ATOM 0 HH21 ARG A 236 18.509 -22.470 29.276 1.00 26.15 H new ATOM 0 HH22 ARG A 236 17.860 -23.809 29.197 1.00 26.15 H new ATOM 1858 N TRP A 237 15.505 -16.578 25.942 1.00 31.00 N ATOM 1859 CA TRP A 237 15.833 -16.308 24.543 1.00 31.31 C ATOM 1860 C TRP A 237 16.289 -14.879 24.260 1.00 34.30 C ATOM 1861 O TRP A 237 16.600 -14.558 23.112 1.00 35.28 O ATOM 1862 CB TRP A 237 14.634 -16.605 23.661 1.00 29.91 C ATOM 1863 CG TRP A 237 14.304 -18.028 23.592 1.00 32.49 C ATOM 1864 CD1 TRP A 237 13.569 -18.745 24.470 1.00 31.93 C ATOM 1865 CD2 TRP A 237 14.663 -18.905 22.544 1.00 34.47 C ATOM 1866 NE1 TRP A 237 13.440 -20.033 24.027 1.00 33.10 N ATOM 1867 CE2 TRP A 237 14.113 -20.156 22.840 1.00 31.09 C ATOM 1868 CE3 TRP A 237 15.395 -18.743 21.360 1.00 34.74 C ATOM 1869 CZ2 TRP A 237 14.286 -21.248 22.013 1.00 34.42 C ATOM 1870 CZ3 TRP A 237 15.570 -19.813 20.547 1.00 33.50 C ATOM 1871 CH2 TRP A 237 15.007 -21.040 20.850 1.00 29.43 C ATOM 0 H TRP A 237 14.678 -16.450 26.138 1.00 31.00 H new ATOM 0 HA TRP A 237 16.583 -16.890 24.344 1.00 31.31 H new ATOM 0 HB2 TRP A 237 13.865 -16.117 23.996 1.00 29.91 H new ATOM 0 HB3 TRP A 237 14.810 -16.277 22.765 1.00 29.91 H new ATOM 0 HD1 TRP A 237 13.205 -18.412 25.258 1.00 31.93 H new ATOM 0 HE1 TRP A 237 13.009 -20.660 24.427 1.00 33.10 H new ATOM 0 HE3 TRP A 237 15.755 -17.915 21.136 1.00 34.74 H new ATOM 0 HZ2 TRP A 237 13.935 -22.082 22.227 1.00 34.42 H new ATOM 0 HZ3 TRP A 237 16.077 -19.721 19.773 1.00 33.50 H new ATOM 0 HH2 TRP A 237 15.116 -21.746 20.255 1.00 29.43 H new ATOM 1872 N ARG A 238 16.381 -14.038 25.281 1.00 34.15 N ATOM 1873 CA ARG A 238 16.861 -12.659 25.048 1.00 33.58 C ATOM 1874 C ARG A 238 18.337 -12.623 24.619 1.00 33.20 C ATOM 1875 O ARG A 238 19.220 -13.155 25.301 1.00 35.67 O ATOM 1876 CB ARG A 238 16.691 -11.790 26.301 1.00 35.24 C ATOM 1877 CG ARG A 238 17.074 -10.323 26.087 1.00 34.14 C ATOM 1878 CD ARG A 238 16.747 -9.483 27.312 1.00 34.94 C ATOM 1879 NE ARG A 238 15.306 -9.286 27.399 1.00 33.99 N ATOM 1880 CZ ARG A 238 14.662 -8.746 28.424 1.00 34.95 C ATOM 1881 NH1 ARG A 238 15.302 -8.335 29.497 1.00 36.53 N ATOM 1882 NH2 ARG A 238 13.348 -8.653 28.390 1.00 37.66 N ATOM 0 H ARG A 238 16.180 -14.226 26.096 1.00 34.15 H new ATOM 0 HA ARG A 238 16.317 -12.304 24.328 1.00 33.58 H new ATOM 0 HB2 ARG A 238 15.767 -11.836 26.594 1.00 35.24 H new ATOM 0 HB3 ARG A 238 17.234 -12.157 27.016 1.00 35.24 H new ATOM 0 HG2 ARG A 238 18.022 -10.259 25.892 1.00 34.14 H new ATOM 0 HG3 ARG A 238 16.601 -9.972 25.316 1.00 34.14 H new ATOM 0 HD2 ARG A 238 17.071 -9.923 28.113 1.00 34.94 H new ATOM 0 HD3 ARG A 238 17.197 -8.626 27.257 1.00 34.94 H new ATOM 0 HE ARG A 238 14.833 -9.542 26.728 1.00 33.99 H new ATOM 0 HH11 ARG A 238 16.157 -8.414 29.544 1.00 36.53 H new ATOM 0 HH12 ARG A 238 14.865 -7.987 30.151 1.00 36.53 H new ATOM 0 HH21 ARG A 238 12.914 -8.942 27.706 1.00 37.66 H new ATOM 0 HH22 ARG A 238 12.924 -8.304 29.052 1.00 37.66 H new ATOM 1883 N ASN A 239 18.588 -12.010 23.477 1.00 31.21 N ATOM 1884 CA ASN A 239 19.930 -11.807 22.942 1.00 32.06 C ATOM 1885 C ASN A 239 20.730 -10.975 23.895 1.00 34.10 C ATOM 1886 O ASN A 239 20.251 -9.964 24.354 1.00 36.64 O ATOM 1887 CB ASN A 239 19.802 -11.107 21.590 1.00 34.58 C ATOM 1888 CG ASN A 239 21.107 -10.619 21.019 1.00 34.34 C ATOM 1889 OD1 ASN A 239 22.182 -11.192 21.268 1.00 34.88 O ATOM 1890 ND2 ASN A 239 21.010 -9.570 20.199 1.00 32.93 N ATOM 0 H ASN A 239 17.968 -11.690 22.974 1.00 31.21 H new ATOM 0 HA ASN A 239 20.385 -12.656 22.827 1.00 32.06 H new ATOM 0 HB2 ASN A 239 19.393 -11.719 20.958 1.00 34.58 H new ATOM 0 HB3 ASN A 239 19.200 -10.352 21.684 1.00 34.58 H new ATOM 0 HD21 ASN A 239 21.713 -9.259 19.814 1.00 32.93 H new ATOM 0 HD22 ASN A 239 20.244 -9.205 20.056 1.00 32.93 H new ATOM 1891 N THR A 240 21.942 -11.412 24.220 1.00 33.67 N ATOM 1892 CA THR A 240 22.808 -10.670 25.134 1.00 35.38 C ATOM 1893 C THR A 240 23.795 -9.747 24.395 1.00 36.35 C ATOM 1894 O THR A 240 24.484 -8.947 25.021 1.00 36.42 O ATOM 1895 CB THR A 240 23.536 -11.604 26.153 1.00 37.84 C ATOM 1896 OG1 THR A 240 24.230 -12.630 25.450 1.00 39.30 O ATOM 1897 CG2 THR A 240 22.539 -12.230 27.111 1.00 38.04 C ATOM 0 H THR A 240 22.285 -12.141 23.920 1.00 33.67 H new ATOM 0 HA THR A 240 22.223 -10.094 25.650 1.00 35.38 H new ATOM 0 HB THR A 240 24.167 -11.073 26.664 1.00 37.84 H new ATOM 0 HG1 THR A 240 24.622 -13.130 25.999 1.00 39.30 H new ATOM 0 HG21 THR A 240 23.008 -12.806 27.735 1.00 38.04 H new ATOM 0 HG22 THR A 240 22.077 -11.531 27.600 1.00 38.04 H new ATOM 0 HG23 THR A 240 21.894 -12.754 26.610 1.00 38.04 H new ATOM 1898 N ASER A 241 23.869 -9.857 23.074 0.50 36.79 N ATOM 1899 N BSER A 241 23.883 -9.869 23.077 0.50 37.04 N ATOM 1900 CA ASER A 241 24.673 -8.923 22.273 0.50 37.42 C ATOM 1901 CA BSER A 241 24.671 -8.921 22.282 0.50 37.86 C ATOM 1902 C ASER A 241 23.818 -7.699 21.940 0.50 36.06 C ATOM 1903 C BSER A 241 23.737 -7.800 21.820 0.50 36.64 C ATOM 1904 O ASER A 241 22.837 -7.410 22.631 0.50 36.39 O ATOM 1905 O BSER A 241 22.595 -7.708 22.278 0.50 37.56 O ATOM 1906 CB ASER A 241 25.150 -9.603 20.987 0.50 37.84 C ATOM 1907 CB BSER A 241 25.331 -9.630 21.096 0.50 38.66 C ATOM 1908 OG ASER A 241 24.073 -9.812 20.089 0.50 42.47 O ATOM 1909 OG BSER A 241 26.239 -10.626 21.548 0.50 42.25 O ATOM 0 H ASER A 241 23.464 -10.463 22.617 0.50 37.04 H new ATOM 0 H BSER A 241 23.498 -10.488 22.621 0.50 37.04 H new ATOM 0 HA ASER A 241 25.455 -8.648 22.777 0.50 37.86 H new ATOM 0 HA BSER A 241 25.387 -8.544 22.816 0.50 37.86 H new ATOM 0 HB2ASER A 241 25.828 -9.056 20.561 0.50 38.66 H new ATOM 0 HB2BSER A 241 24.651 -10.036 20.537 0.50 38.66 H new ATOM 0 HB3ASER A 241 25.565 -10.453 21.202 0.50 38.66 H new ATOM 0 HB3BSER A 241 25.801 -8.983 20.547 0.50 38.66 H new ATOM 0 HG ASER A 241 23.586 -10.434 20.375 0.50 42.25 H new ATOM 0 HG BSER A 241 26.591 -11.006 20.886 0.50 42.25 H new ATOM 1910 N ALA A 242 24.204 -6.961 20.902 1.00 36.28 N ATOM 1911 CA ALA A 242 23.424 -5.823 20.442 1.00 35.89 C ATOM 1912 C ALA A 242 22.201 -6.324 19.682 1.00 34.34 C ATOM 1913 O ALA A 242 22.283 -7.320 18.936 1.00 33.63 O ATOM 1914 CB ALA A 242 24.266 -4.954 19.536 1.00 33.51 C ATOM 0 H AALA A 242 24.921 -7.107 20.449 0.50 36.28 H new ATOM 0 H BALA A 242 24.976 -7.036 20.532 0.50 36.28 H new ATOM 0 HA ALA A 242 23.139 -5.298 21.207 1.00 35.89 H new ATOM 0 HB1 ALA A 242 23.740 -4.197 19.233 1.00 33.51 H new ATOM 0 HB2 ALA A 242 25.041 -4.634 20.023 1.00 33.51 H new ATOM 0 HB3 ALA A 242 24.558 -5.472 18.770 1.00 33.51 H new ATOM 1915 N GLY A 243 21.070 -5.644 19.860 1.00 34.05 N ATOM 1916 CA GLY A 243 19.880 -5.958 19.098 1.00 33.99 C ATOM 1917 C GLY A 243 18.889 -4.816 19.208 1.00 33.51 C ATOM 1918 O GLY A 243 19.268 -3.688 19.586 1.00 32.28 O ATOM 0 H GLY A 243 20.977 -4.997 20.419 1.00 34.05 H new ATOM 0 HA2 GLY A 243 20.111 -6.109 18.168 1.00 33.99 H new ATOM 0 HA3 GLY A 243 19.480 -6.778 19.428 1.00 33.99 H new ATOM 1919 N SER A 244 17.628 -5.117 18.927 1.00 34.00 N ATOM 1920 CA SER A 244 16.539 -4.128 18.926 1.00 32.32 C ATOM 1921 C SER A 244 16.374 -3.424 20.258 1.00 33.94 C ATOM 1922 O SER A 244 16.118 -2.221 20.297 1.00 32.63 O ATOM 1923 CB SER A 244 15.212 -4.785 18.535 1.00 34.20 C ATOM 1924 OG SER A 244 15.272 -5.309 17.203 1.00 35.70 O ATOM 0 H SER A 244 17.370 -5.913 18.727 1.00 34.00 H new ATOM 0 HA SER A 244 16.786 -3.458 18.269 1.00 32.32 H new ATOM 0 HB2 SER A 244 15.005 -5.499 19.158 1.00 34.20 H new ATOM 0 HB3 SER A 244 14.494 -4.135 18.599 1.00 34.20 H new ATOM 0 HG SER A 244 15.816 -5.949 17.178 1.00 35.70 H new ATOM 1925 N ARG A 245 16.532 -4.154 21.356 1.00 30.99 N ATOM 1926 CA ARG A 245 16.373 -3.591 22.687 1.00 31.31 C ATOM 1927 C ARG A 245 17.518 -2.644 23.033 1.00 34.00 C ATOM 1928 O ARG A 245 17.297 -1.530 23.514 1.00 32.67 O ATOM 1929 CB ARG A 245 16.326 -4.699 23.733 1.00 33.35 C ATOM 1930 CG ARG A 245 15.928 -4.253 25.121 1.00 33.27 C ATOM 1931 CD ARG A 245 16.093 -5.418 26.084 1.00 33.12 C ATOM 1932 NE ARG A 245 15.531 -5.125 27.389 1.00 34.20 N ATOM 1933 CZ ARG A 245 14.238 -5.184 27.700 1.00 36.83 C ATOM 1934 NH1 ARG A 245 13.340 -5.495 26.813 1.00 31.65 N ATOM 1935 NH2 ARG A 245 13.840 -4.890 28.916 1.00 35.15 N ATOM 0 H ARG A 245 16.734 -4.990 21.349 1.00 30.99 H new ATOM 0 HA ARG A 245 15.539 -3.095 22.690 1.00 31.31 H new ATOM 0 HB2 ARG A 245 15.702 -5.379 23.436 1.00 33.35 H new ATOM 0 HB3 ARG A 245 17.200 -5.117 23.781 1.00 33.35 H new ATOM 0 HG2 ARG A 245 16.478 -3.505 25.403 1.00 33.27 H new ATOM 0 HG3 ARG A 245 15.008 -3.945 25.123 1.00 33.27 H new ATOM 0 HD2 ARG A 245 15.662 -6.205 25.716 1.00 33.12 H new ATOM 0 HD3 ARG A 245 17.035 -5.629 26.178 1.00 33.12 H new ATOM 0 HE ARG A 245 16.077 -4.895 28.012 1.00 34.20 H new ATOM 0 HH11 ARG A 245 13.576 -5.668 26.004 1.00 31.65 H new ATOM 0 HH12 ARG A 245 12.510 -5.528 27.035 1.00 31.65 H new ATOM 0 HH21 ARG A 245 14.415 -4.659 29.513 1.00 35.15 H new ATOM 0 HH22 ARG A 245 13.004 -4.928 29.116 1.00 35.15 H new ATOM 1936 N THR A 246 18.748 -3.071 22.795 1.00 33.78 N ATOM 1937 CA THR A 246 19.889 -2.224 23.123 1.00 32.31 C ATOM 1938 C THR A 246 19.934 -0.995 22.193 1.00 33.83 C ATOM 1939 O THR A 246 20.326 0.074 22.619 1.00 31.83 O ATOM 1940 CB THR A 246 21.204 -2.986 23.115 1.00 34.79 C ATOM 1941 OG1 THR A 246 21.439 -3.510 21.819 1.00 34.51 O ATOM 1942 CG2 THR A 246 21.211 -4.112 24.172 1.00 34.13 C ATOM 0 H THR A 246 18.945 -3.834 22.450 1.00 33.78 H new ATOM 0 HA THR A 246 19.767 -1.913 24.033 1.00 32.31 H new ATOM 0 HB THR A 246 21.918 -2.372 23.346 1.00 34.79 H new ATOM 0 HG1 THR A 246 22.157 -3.197 21.516 1.00 34.51 H new ATOM 0 HG21 THR A 246 22.061 -4.579 24.142 1.00 34.13 H new ATOM 0 HG22 THR A 246 21.083 -3.729 25.054 1.00 34.13 H new ATOM 0 HG23 THR A 246 20.493 -4.737 23.984 1.00 34.13 H new ATOM 1943 N PHE A 247 19.469 -1.135 20.954 1.00 32.37 N ATOM 1944 CA PHE A 247 19.378 -0.002 20.031 1.00 34.25 C ATOM 1945 C PHE A 247 18.408 1.031 20.618 1.00 33.64 C ATOM 1946 O PHE A 247 18.703 2.213 20.672 1.00 33.29 O ATOM 1947 CB PHE A 247 18.906 -0.518 18.680 1.00 35.75 C ATOM 1948 CG PHE A 247 18.656 0.537 17.620 1.00 33.99 C ATOM 1949 CD1 PHE A 247 17.402 1.090 17.452 1.00 34.90 C ATOM 1950 CD2 PHE A 247 19.657 0.900 16.727 1.00 36.89 C ATOM 1951 CE1 PHE A 247 17.160 1.992 16.448 1.00 32.78 C ATOM 1952 CE2 PHE A 247 19.409 1.801 15.716 1.00 38.84 C ATOM 1953 CZ PHE A 247 18.155 2.347 15.579 1.00 36.07 C ATOM 0 H PHE A 247 19.199 -1.882 20.625 1.00 32.37 H new ATOM 0 HA PHE A 247 20.239 0.428 19.909 1.00 34.25 H new ATOM 0 HB2 PHE A 247 19.568 -1.141 18.342 1.00 35.75 H new ATOM 0 HB3 PHE A 247 18.086 -1.019 18.813 1.00 35.75 H new ATOM 0 HD1 PHE A 247 16.713 0.848 18.027 1.00 34.90 H new ATOM 0 HD2 PHE A 247 20.506 0.529 16.813 1.00 36.89 H new ATOM 0 HE1 PHE A 247 16.313 2.365 16.357 1.00 32.78 H new ATOM 0 HE2 PHE A 247 20.088 2.040 15.127 1.00 38.84 H new ATOM 0 HZ PHE A 247 17.984 2.956 14.897 1.00 36.07 H new ATOM 1954 N LEU A 248 17.244 0.563 21.058 1.00 34.97 N ATOM 1955 CA LEU A 248 16.238 1.462 21.632 1.00 35.25 C ATOM 1956 C LEU A 248 16.746 2.070 22.905 1.00 35.00 C ATOM 1957 O LEU A 248 16.559 3.264 23.145 1.00 31.98 O ATOM 1958 CB LEU A 248 14.956 0.683 21.920 1.00 35.65 C ATOM 1959 CG LEU A 248 13.822 1.427 22.619 1.00 33.01 C ATOM 1960 CD1 LEU A 248 13.357 2.690 21.869 1.00 31.65 C ATOM 1961 CD2 LEU A 248 12.648 0.417 22.822 1.00 35.98 C ATOM 0 H LEU A 248 17.015 -0.266 21.035 1.00 34.97 H new ATOM 0 HA LEU A 248 16.055 2.170 20.995 1.00 35.25 H new ATOM 0 HB2 LEU A 248 14.616 0.343 21.077 1.00 35.65 H new ATOM 0 HB3 LEU A 248 15.189 -0.086 22.463 1.00 35.65 H new ATOM 0 HG LEU A 248 14.147 1.756 23.472 1.00 33.01 H new ATOM 0 HD11 LEU A 248 12.638 3.114 22.363 1.00 31.65 H new ATOM 0 HD12 LEU A 248 14.100 3.308 21.785 1.00 31.65 H new ATOM 0 HD13 LEU A 248 13.040 2.444 20.986 1.00 31.65 H new ATOM 0 HD21 LEU A 248 11.910 0.863 23.266 1.00 35.98 H new ATOM 0 HD22 LEU A 248 12.353 0.086 21.959 1.00 35.98 H new ATOM 0 HD23 LEU A 248 12.951 -0.326 23.367 1.00 35.98 H new ATOM 1962 N GLN A 249 17.372 1.267 23.757 1.00 32.13 N ATOM 1963 CA GLN A 249 17.912 1.814 25.008 1.00 33.38 C ATOM 1964 C GLN A 249 18.968 2.897 24.765 1.00 35.09 C ATOM 1965 O GLN A 249 18.945 3.926 25.425 1.00 34.92 O ATOM 1966 CB GLN A 249 18.474 0.704 25.915 1.00 31.75 C ATOM 1967 CG GLN A 249 17.382 -0.170 26.512 1.00 32.71 C ATOM 1968 CD GLN A 249 17.946 -1.405 27.185 1.00 38.06 C ATOM 1969 OE1 GLN A 249 18.822 -2.066 26.646 1.00 37.07 O ATOM 1970 NE2 GLN A 249 17.450 -1.707 28.357 1.00 39.92 N ATOM 0 H GLN A 249 17.495 0.424 23.640 1.00 32.13 H new ATOM 0 HA GLN A 249 17.167 2.234 25.466 1.00 33.38 H new ATOM 0 HB2 GLN A 249 19.084 0.150 25.403 1.00 31.75 H new ATOM 0 HB3 GLN A 249 18.990 1.106 26.631 1.00 31.75 H new ATOM 0 HG2 GLN A 249 16.874 0.345 27.158 1.00 32.71 H new ATOM 0 HG3 GLN A 249 16.765 -0.437 25.813 1.00 32.71 H new ATOM 0 HE21 GLN A 249 16.834 -1.216 28.703 1.00 39.92 H new ATOM 0 HE22 GLN A 249 17.740 -2.396 28.782 1.00 39.92 H new ATOM 1971 N SER A 250 19.869 2.690 23.805 1.00 36.79 N ATOM 1972 CA SER A 250 20.887 3.707 23.470 1.00 38.01 C ATOM 1973 C SER A 250 20.298 4.968 22.895 1.00 37.86 C ATOM 1974 O SER A 250 20.734 6.073 23.204 1.00 36.38 O ATOM 1975 CB SER A 250 21.867 3.188 22.435 1.00 39.94 C ATOM 1976 OG SER A 250 22.586 2.126 23.000 1.00 49.07 O ATOM 0 H SER A 250 19.914 1.972 23.333 1.00 36.79 H new ATOM 0 HA SER A 250 21.324 3.902 24.314 1.00 38.01 H new ATOM 0 HB2 SER A 250 21.394 2.891 21.642 1.00 39.94 H new ATOM 0 HB3 SER A 250 22.471 3.895 22.158 1.00 39.94 H new ATOM 0 HG SER A 250 22.119 1.428 22.978 1.00 49.07 H new ATOM 1977 N LEU A 251 19.317 4.794 22.037 1.00 36.28 N ATOM 1978 CA LEU A 251 18.649 5.928 21.402 1.00 37.83 C ATOM 1979 C LEU A 251 17.996 6.791 22.452 1.00 37.26 C ATOM 1980 O LEU A 251 18.091 8.025 22.401 1.00 38.13 O ATOM 1981 CB LEU A 251 17.629 5.389 20.409 1.00 36.08 C ATOM 1982 CG LEU A 251 16.663 6.240 19.625 1.00 43.68 C ATOM 1983 CD1 LEU A 251 16.042 5.289 18.587 1.00 43.84 C ATOM 1984 CD2 LEU A 251 15.612 6.853 20.515 1.00 41.31 C ATOM 0 H LEU A 251 19.014 4.024 21.801 1.00 36.28 H new ATOM 0 HA LEU A 251 19.289 6.481 20.928 1.00 37.83 H new ATOM 0 HB2 LEU A 251 18.135 4.884 19.753 1.00 36.08 H new ATOM 0 HB3 LEU A 251 17.087 4.752 20.901 1.00 36.08 H new ATOM 0 HG LEU A 251 17.108 6.991 19.203 1.00 43.68 H new ATOM 0 HD11 LEU A 251 15.404 5.776 18.042 1.00 43.84 H new ATOM 0 HD12 LEU A 251 16.741 4.928 18.020 1.00 43.84 H new ATOM 0 HD13 LEU A 251 15.589 4.563 19.043 1.00 43.84 H new ATOM 0 HD21 LEU A 251 15.009 7.392 19.980 1.00 41.31 H new ATOM 0 HD22 LEU A 251 15.111 6.149 20.956 1.00 41.31 H new ATOM 0 HD23 LEU A 251 16.039 7.412 21.183 1.00 41.31 H new ATOM 1985 N LEU A 252 17.339 6.149 23.422 1.00 37.64 N ATOM 1986 CA LEU A 252 16.712 6.865 24.537 1.00 37.86 C ATOM 1987 C LEU A 252 17.763 7.584 25.385 1.00 39.57 C ATOM 1988 O LEU A 252 17.617 8.781 25.677 1.00 40.30 O ATOM 1989 CB LEU A 252 15.886 5.900 25.413 1.00 38.57 C ATOM 1990 CG LEU A 252 14.594 5.330 24.801 1.00 35.92 C ATOM 1991 CD1 LEU A 252 14.012 4.169 25.627 1.00 34.25 C ATOM 1992 CD2 LEU A 252 13.558 6.455 24.561 1.00 32.80 C ATOM 0 H LEU A 252 17.245 5.295 23.452 1.00 37.64 H new ATOM 0 HA LEU A 252 16.113 7.530 24.163 1.00 37.86 H new ATOM 0 HB2 LEU A 252 16.456 5.155 25.660 1.00 38.57 H new ATOM 0 HB3 LEU A 252 15.652 6.363 26.233 1.00 38.57 H new ATOM 0 HG LEU A 252 14.824 4.951 23.938 1.00 35.92 H new ATOM 0 HD11 LEU A 252 13.202 3.844 25.203 1.00 34.25 H new ATOM 0 HD12 LEU A 252 14.661 3.450 25.677 1.00 34.25 H new ATOM 0 HD13 LEU A 252 13.806 4.480 26.522 1.00 34.25 H new ATOM 0 HD21 LEU A 252 12.752 6.076 24.176 1.00 32.80 H new ATOM 0 HD22 LEU A 252 13.343 6.882 25.405 1.00 32.80 H new ATOM 0 HD23 LEU A 252 13.929 7.112 23.952 1.00 32.80 H new ATOM 1993 N ALA A 253 18.817 6.861 25.774 1.00 39.36 N ATOM 1994 CA ALA A 253 19.883 7.429 26.612 1.00 40.45 C ATOM 1995 C ALA A 253 20.551 8.629 25.955 1.00 42.14 C ATOM 1996 O ALA A 253 20.804 9.614 26.603 1.00 43.61 O ATOM 1997 CB ALA A 253 20.940 6.347 26.966 1.00 39.01 C ATOM 0 H ALA A 253 18.935 6.036 25.563 1.00 39.36 H new ATOM 0 HA ALA A 253 19.466 7.741 27.430 1.00 40.45 H new ATOM 0 HB1 ALA A 253 21.634 6.740 27.518 1.00 39.01 H new ATOM 0 HB2 ALA A 253 20.513 5.623 27.451 1.00 39.01 H new ATOM 0 HB3 ALA A 253 21.334 6.001 26.150 1.00 39.01 H new ATOM 1998 N ARG A 254 20.842 8.540 24.670 1.00 44.33 N ATOM 1999 CA ARG A 254 21.462 9.628 23.960 1.00 46.17 C ATOM 2000 C ARG A 254 20.581 10.833 23.754 1.00 45.83 C ATOM 2001 O ARG A 254 21.108 11.893 23.460 1.00 44.43 O ATOM 2002 CB ARG A 254 21.761 9.228 22.535 1.00 48.97 C ATOM 2003 CG ARG A 254 22.846 8.272 22.325 1.00 58.41 C ATOM 2004 CD ARG A 254 23.035 8.144 20.822 1.00 59.49 C ATOM 2005 NE ARG A 254 23.921 7.024 20.599 1.00 65.14 N ATOM 2006 CZ ARG A 254 23.592 5.908 19.981 1.00 66.58 C ATOM 2007 NH1 ARG A 254 22.381 5.765 19.452 1.00 68.46 N ATOM 2008 NH2 ARG A 254 24.506 4.947 19.856 1.00 69.40 N ATOM 0 H ARG A 254 20.684 7.845 24.188 1.00 44.33 H new ATOM 0 HA ARG A 254 22.231 9.836 24.513 1.00 46.17 H new ATOM 0 HB2 ARG A 254 20.952 8.854 22.151 1.00 48.97 H new ATOM 0 HB3 ARG A 254 21.967 10.032 22.034 1.00 48.97 H new ATOM 0 HG2 ARG A 254 23.662 8.580 22.749 1.00 58.41 H new ATOM 0 HG3 ARG A 254 22.628 7.413 22.719 1.00 58.41 H new ATOM 0 HD2 ARG A 254 22.183 8.001 20.380 1.00 59.49 H new ATOM 0 HD3 ARG A 254 23.412 8.958 20.453 1.00 59.49 H new ATOM 0 HE ARG A 254 24.726 7.091 20.893 1.00 65.14 H new ATOM 0 HH11 ARG A 254 21.807 6.403 19.512 1.00 68.46 H new ATOM 0 HH12 ARG A 254 22.171 5.035 19.050 1.00 68.46 H new ATOM 0 HH21 ARG A 254 25.296 5.061 20.176 1.00 69.40 H new ATOM 0 HH22 ARG A 254 24.306 4.213 19.455 1.00 69.40 H new ATOM 2009 N ASN A 255 19.260 10.667 23.791 1.00 44.55 N ATOM 2010 CA ASN A 255 18.357 11.742 23.358 1.00 44.86 C ATOM 2011 C ASN A 255 17.452 12.331 24.439 1.00 45.47 C ATOM 2012 O ASN A 255 16.716 13.263 24.169 1.00 46.36 O ATOM 2013 CB ASN A 255 17.523 11.256 22.183 1.00 46.10 C ATOM 2014 CG ASN A 255 18.342 11.134 20.919 1.00 48.35 C ATOM 2015 OD1 ASN A 255 18.781 12.145 20.370 1.00 48.10 O ATOM 2016 ND2 ASN A 255 18.565 9.910 20.456 1.00 41.53 N ATOM 0 H ASN A 255 18.867 9.951 24.059 1.00 44.55 H new ATOM 0 HA ASN A 255 18.938 12.477 23.105 1.00 44.86 H new ATOM 0 HB2 ASN A 255 17.133 10.395 22.399 1.00 46.10 H new ATOM 0 HB3 ASN A 255 16.788 11.871 22.033 1.00 46.10 H new ATOM 0 HD21 ASN A 255 19.034 9.799 19.744 1.00 41.53 H new ATOM 0 HD22 ASN A 255 18.241 9.229 20.868 1.00 41.53 H new ATOM 2017 N ILE A 256 17.495 11.816 25.654 1.00 47.55 N ATOM 2018 CA ILE A 256 16.672 12.413 26.695 1.00 51.15 C ATOM 2019 C ILE A 256 17.518 13.460 27.381 1.00 55.40 C ATOM 2020 O ILE A 256 18.742 13.477 27.207 1.00 58.03 O ATOM 2021 CB ILE A 256 16.108 11.405 27.740 1.00 49.93 C ATOM 2022 CG1 ILE A 256 17.224 10.667 28.478 1.00 51.37 C ATOM 2023 CG2 ILE A 256 15.111 10.448 27.081 1.00 45.15 C ATOM 2024 CD1 ILE A 256 16.708 9.628 29.478 1.00 53.03 C ATOM 2025 OXT ILE A 256 16.989 14.291 28.121 1.00 58.90 O ATOM 0 H ILE A 256 17.975 11.144 25.895 1.00 47.55 H new ATOM 0 HA ILE A 256 15.884 12.789 26.272 1.00 51.15 H new ATOM 0 HB ILE A 256 15.626 11.908 28.415 1.00 49.93 H new ATOM 0 HG12 ILE A 256 17.795 10.226 27.830 1.00 51.37 H new ATOM 0 HG13 ILE A 256 17.774 11.313 28.948 1.00 51.37 H new ATOM 0 HG21 ILE A 256 14.770 9.828 27.745 1.00 45.15 H new ATOM 0 HG22 ILE A 256 14.375 10.956 26.705 1.00 45.15 H new ATOM 0 HG23 ILE A 256 15.556 9.953 26.375 1.00 45.15 H new ATOM 0 HD11 ILE A 256 17.460 9.195 29.912 1.00 53.03 H new ATOM 0 HD12 ILE A 256 16.158 10.067 30.146 1.00 53.03 H new ATOM 0 HD13 ILE A 256 16.179 8.963 29.010 1.00 53.03 H new TER 2026 ILE A 256 HETATM 2027 ZN ZN A 257 2.316 -5.342 12.439 0.40 46.78 ZN HETATM 2028 O1 UNL A 258 7.132 -3.859 7.326 1.00 57.60 O HETATM 2029 O2 UNL A 258 6.907 -5.110 7.330 1.00 58.90 O HETATM 2030 O3 UNL A 258 7.851 -5.915 7.694 1.00 55.22 O HETATM 2031 O4 UNL A 258 5.555 -5.619 6.894 1.00 44.45 O HETATM 2032 C1 EDO A 259 7.482 -9.697 13.200 1.00 54.81 C HETATM 2033 O1 EDO A 259 8.819 -9.277 12.917 1.00 39.94 O HETATM 2034 C2 EDO A 259 6.918 -8.877 14.365 1.00 61.80 C HETATM 2035 O2 EDO A 259 5.480 -8.852 14.329 1.00 64.92 O HETATM 0 HO2 EDO A 259 5.217 -8.072 14.162 1.00 64.92 H new HETATM 0 HO1 EDO A 259 8.801 -8.599 12.421 1.00 39.94 H new HETATM 0 H22 EDO A 259 7.217 -9.256 15.206 1.00 61.80 H new HETATM 0 H21 EDO A 259 7.262 -7.971 14.324 1.00 61.80 H new HETATM 0 H12 EDO A 259 6.925 -9.584 12.414 1.00 54.81 H new HETATM 0 H11 EDO A 259 7.471 -10.641 13.422 1.00 54.81 H new HETATM 2036 C1 EDO A 260 19.829 11.825 3.256 1.00 38.69 C HETATM 2037 O1 EDO A 260 20.825 10.825 3.515 1.00 44.58 O HETATM 2038 C2 EDO A 260 18.627 11.511 4.129 1.00 38.17 C HETATM 2039 O2 EDO A 260 19.013 11.589 5.535 1.00 44.07 O HETATM 0 HO2 EDO A 260 19.828 11.402 5.613 1.00 44.07 H new HETATM 0 HO1 EDO A 260 20.458 10.071 3.570 1.00 44.58 H new HETATM 0 H22 EDO A 260 17.909 12.137 3.945 1.00 38.17 H new HETATM 0 H21 EDO A 260 18.289 10.625 3.925 1.00 38.17 H new HETATM 0 H12 EDO A 260 20.174 12.709 3.456 1.00 38.69 H new HETATM 0 H11 EDO A 260 19.579 11.823 2.319 1.00 38.69 H new HETATM 2040 C1 EDO A 261 4.005 -3.708 9.724 1.00 45.88 C HETATM 2041 O1 EDO A 261 3.364 -4.999 9.803 1.00 36.55 O HETATM 2042 C2 EDO A 261 4.949 -3.581 10.920 1.00 48.48 C HETATM 2043 O2 EDO A 261 4.321 -4.040 12.156 1.00 40.66 O HETATM 0 HO2 EDO A 261 3.893 -3.407 12.505 1.00 40.66 H new HETATM 0 HO1 EDO A 261 3.113 -5.140 10.592 1.00 36.55 H new HETATM 0 H22 EDO A 261 5.753 -4.098 10.754 1.00 48.48 H new HETATM 0 H21 EDO A 261 5.222 -2.656 11.020 1.00 48.48 H new HETATM 0 H12 EDO A 261 4.497 -3.623 8.892 1.00 45.88 H new HETATM 0 H11 EDO A 261 3.343 -2.999 9.736 1.00 45.88 H new HETATM 2044 C1 EDO A 262 17.617 0.201 1.482 1.00 44.87 C HETATM 2045 O1 EDO A 262 17.632 1.482 0.885 1.00 43.08 O HETATM 2046 C2 EDO A 262 19.044 -0.330 1.410 1.00 45.54 C HETATM 2047 O2 EDO A 262 19.580 -0.437 2.739 1.00 50.95 O HETATM 0 HO2 EDO A 262 20.089 0.214 2.889 1.00 50.95 H new HETATM 0 HO1 EDO A 262 17.855 2.055 1.457 1.00 43.08 H new HETATM 0 H22 EDO A 262 19.056 -1.197 0.975 1.00 45.54 H new HETATM 0 H21 EDO A 262 19.594 0.263 0.875 1.00 45.54 H new HETATM 0 H12 EDO A 262 17.315 0.253 2.402 1.00 44.87 H new HETATM 0 H11 EDO A 262 17.005 -0.390 1.015 1.00 44.87 H new HETATM 2048 C1 EDO A 263 11.724 14.308 24.607 1.00 44.98 C HETATM 2049 O1 EDO A 263 10.537 15.090 24.565 1.00 59.28 O HETATM 2050 C2 EDO A 263 12.813 14.823 25.535 1.00 59.02 C HETATM 2051 O2 EDO A 263 14.046 14.891 24.777 1.00 61.69 O HETATM 0 HO2 EDO A 263 14.439 15.614 24.946 1.00 61.69 H new HETATM 0 HO1 EDO A 263 9.899 14.648 24.885 1.00 59.28 H new HETATM 0 H22 EDO A 263 12.578 15.698 25.882 1.00 59.02 H new HETATM 0 H21 EDO A 263 12.916 14.234 26.299 1.00 59.02 H new HETATM 0 H12 EDO A 263 11.490 13.406 24.877 1.00 44.98 H new HETATM 0 H11 EDO A 263 12.086 14.250 23.709 1.00 44.98 H new HETATM 2052 C1 MPD A 264 14.345 -22.115 26.868 1.00 43.37 C HETATM 2053 C2 MPD A 264 13.416 -23.093 26.174 1.00 56.14 C HETATM 2054 O2 MPD A 264 12.368 -22.402 25.419 1.00 44.17 O HETATM 2055 CM MPD A 264 12.732 -23.908 27.261 1.00 64.44 C HETATM 2056 C3 MPD A 264 14.231 -23.976 25.239 1.00 57.44 C HETATM 2057 C4 MPD A 264 13.369 -25.077 24.611 1.00 66.75 C HETATM 2058 O4 MPD A 264 13.153 -24.837 23.235 1.00 73.54 O HETATM 2059 C5 MPD A 264 14.006 -26.452 24.798 1.00 67.16 C HETATM 0 HO4 MPD A 264 12.681 -25.453 22.914 1.00 73.54 H new HETATM 0 HO2 MPD A 264 12.093 -21.742 25.860 1.00 44.17 H new HETATM 0 HM3 MPD A 264 13.401 -24.381 27.780 1.00 64.44 H new HETATM 0 HM2 MPD A 264 12.231 -23.315 27.843 1.00 64.44 H new HETATM 0 HM1 MPD A 264 12.127 -24.548 26.854 1.00 64.44 H new HETATM 0 H53 MPD A 264 14.879 -26.465 24.376 1.00 67.16 H new HETATM 0 H52 MPD A 264 14.103 -26.638 25.745 1.00 67.16 H new HETATM 0 H51 MPD A 264 13.441 -27.128 24.392 1.00 67.16 H new HETATM 0 H4 MPD A 264 12.513 -25.064 25.068 1.00 66.75 H new HETATM 0 H32 MPD A 264 14.623 -23.432 24.538 1.00 57.44 H new HETATM 0 H31 MPD A 264 14.964 -24.378 25.730 1.00 57.44 H new HETATM 0 H13 MPD A 264 14.770 -21.547 26.206 1.00 43.37 H new HETATM 0 H12 MPD A 264 13.836 -21.567 27.485 1.00 43.37 H new HETATM 0 H11 MPD A 264 15.024 -22.605 27.357 1.00 43.37 H new HETATM 2060 O HOH A 265 10.469 9.228 9.231 1.00 23.44 O HETATM 2061 O HOH A 266 0.425 9.074 -1.397 1.00 24.03 O HETATM 2062 O HOH A 267 1.357 5.386 -2.812 1.00 24.75 O HETATM 2063 O HOH A 268 0.169 4.291 -0.571 1.00 25.79 O HETATM 2064 O HOH A 269 16.195 8.313 3.066 1.00 26.71 O HETATM 2065 O HOH A 270 -0.939 6.994 -2.708 1.00 27.88 O HETATM 2066 O HOH A 271 5.342 8.793 18.363 1.00 27.97 O HETATM 2067 O HOH A 272 2.583 7.131 5.477 1.00 28.33 O HETATM 2068 O HOH A 273 -2.075 3.155 -1.486 1.00 28.55 O HETATM 2069 O HOH A 274 -0.772 11.529 -0.822 1.00 28.98 O HETATM 2070 O HOH A 275 -3.278 5.557 -2.403 1.00 29.49 O HETATM 2071 O HOH A 276 5.160 -7.506 19.200 1.00 29.96 O HETATM 2072 O HOH A 277 -7.315 8.004 -0.812 1.00 30.88 O HETATM 2073 O HOH A 278 20.340 4.875 17.055 1.00 31.46 O HETATM 2074 O HOH A 279 18.184 9.268 6.980 1.00 31.60 O HETATM 2075 O HOH A 280 8.360 9.554 20.421 1.00 31.76 O HETATM 2076 O HOH A 281 20.039 8.322 3.375 1.00 32.84 O HETATM 2077 O HOH A 282 5.388 18.352 2.903 1.00 33.06 O HETATM 2078 O HOH A 283 -3.419 -4.617 7.360 1.00 33.16 O HETATM 2079 O HOH A 284 1.592 18.448 1.321 1.00 34.19 O HETATM 2080 O HOH A 285 20.673 3.363 19.100 1.00 34.14 O HETATM 2081 O HOH A 286 4.275 -10.105 18.401 1.00 34.22 O HETATM 2082 O HOH A 287 17.434 -11.681 10.216 1.00 34.28 O HETATM 2083 O HOH A 288 4.023 -12.349 22.668 1.00 34.34 O HETATM 2084 O HOH A 289 -7.728 -6.064 12.690 1.00 35.03 O HETATM 2085 O HOH A 290 -4.490 7.985 17.504 1.00 35.64 O HETATM 2086 O HOH A 291 12.650 16.869 2.445 1.00 36.38 O HETATM 2087 O HOH A 292 11.402 21.142 15.213 1.00 36.67 O HETATM 2088 O HOH A 293 4.743 6.495 10.088 1.00 36.61 O HETATM 2089 O HOH A 294 -2.532 8.505 26.448 1.00 37.44 O HETATM 2090 O HOH A 295 -3.284 -4.276 21.255 1.00 38.65 O HETATM 2091 O HOH A 296 16.057 14.324 -0.100 1.00 38.72 O HETATM 2092 O HOH A 297 23.332 0.537 9.530 1.00 38.89 O HETATM 2093 O HOH A 298 8.593 13.365 25.015 1.00 39.65 O HETATM 2094 O HOH A 299 24.437 7.926 8.413 1.00 40.55 O HETATM 2095 O HOH A 300 9.969 -14.351 30.116 1.00 40.65 O HETATM 2096 O HOH A 301 21.991 11.194 6.277 1.00 40.57 O HETATM 2097 O HOH A 302 -5.669 -5.939 14.347 1.00 40.96 O HETATM 2098 O HOH A 303 19.729 -15.447 26.471 1.00 41.16 O HETATM 2099 O HOH A 304 22.982 1.530 18.900 1.00 41.83 O HETATM 2100 O HOH A 305 -4.582 8.547 22.295 1.00 41.81 O HETATM 2101 O HOH A 306 4.264 -12.336 19.891 1.00 41.83 O HETATM 2102 O HOH A 307 -1.307 -7.696 24.959 1.00 42.20 O HETATM 2103 O HOH A 308 21.708 -6.550 11.322 1.00 42.91 O HETATM 2104 O HOH A 309 9.132 -5.646 25.454 1.00 42.87 O HETATM 2105 O HOH A 310 -2.982 -14.770 -2.193 1.00 42.83 O HETATM 2106 O HOH A 311 13.907 2.951 30.189 1.00 43.03 O HETATM 2107 O HOH A 312 22.654 -14.295 23.056 1.00 43.25 O HETATM 2108 O HOH A 313 -9.415 9.257 -3.420 1.00 43.19 O HETATM 2109 O HOH A 314 -8.698 0.934 -3.771 1.00 43.18 O HETATM 2110 O HOH A 315 22.955 -1.549 20.737 1.00 43.75 O HETATM 2111 O HOH A 316 0.902 -12.186 29.615 1.00 44.99 O HETATM 2112 O HOH A 317 5.207 -10.910 16.046 1.00 45.32 O HETATM 2113 O HOH A 318 17.995 3.810 28.076 1.00 45.41 O HETATM 2114 O HOH A 319 -1.995 -10.851 23.210 1.00 45.67 O HETATM 2115 O HOH A 320 22.854 1.133 4.529 1.00 46.10 O HETATM 2116 O HOH A 321 21.991 -8.076 13.394 1.00 46.41 O HETATM 2117 O HOH A 322 -8.315 -9.441 10.296 1.00 46.83 O HETATM 2118 O HOH A 323 22.522 3.787 16.004 1.00 47.36 O HETATM 2119 O HOH A 324 15.964 2.196 28.610 1.00 47.68 O HETATM 2120 O HOH A 325 10.529 -13.978 10.640 1.00 47.84 O HETATM 2121 O HOH A 326 -1.345 -11.998 27.169 1.00 47.89 O HETATM 2122 O HOH A 327 -9.187 -7.995 20.446 1.00 48.01 O HETATM 2123 O HOH A 328 26.235 -12.354 23.756 1.00 48.04 O HETATM 2124 O HOH A 329 4.252 -19.427 23.943 1.00 48.29 O HETATM 2125 O HOH A 330 18.361 20.258 4.633 1.00 48.55 O HETATM 2126 O HOH A 331 -11.469 7.398 14.604 1.00 48.56 O HETATM 2127 O HOH A 332 -1.214 15.017 20.211 1.00 49.30 O HETATM 2128 O HOH A 333 22.993 0.971 15.870 1.00 49.75 O HETATM 2129 O HOH A 334 -1.776 18.272 10.596 1.00 49.78 O HETATM 2130 O HOH A 335 24.311 -8.331 17.559 1.00 50.16 O HETATM 2131 O HOH A 336 6.715 -7.909 31.749 1.00 49.96 O HETATM 2132 O HOH A 337 27.194 -6.767 20.364 1.00 50.53 O HETATM 2133 O HOH A 338 6.760 25.779 12.207 1.00 50.34 O HETATM 2134 O HOH A 339 23.745 0.285 6.940 1.00 51.39 O HETATM 2135 O HOH A 340 23.936 10.447 17.008 1.00 51.30 O HETATM 2136 O HOH A 341 21.035 10.252 8.600 1.00 51.37 O HETATM 2137 O HOH A 342 -3.440 -11.517 20.854 1.00 51.42 O HETATM 2138 O HOH A 343 -10.109 3.111 -5.051 1.00 51.64 O HETATM 2139 O HOH A 344 -6.742 7.291 20.914 1.00 51.62 O HETATM 2140 O HOH A 345 11.861 -7.807 30.835 1.00 51.84 O HETATM 2141 O HOH A 346 9.744 -22.522 19.267 1.00 51.88 O HETATM 2142 O HOH A 347 -7.601 -9.927 22.955 1.00 52.15 O HETATM 2143 O HOH A 348 -15.990 0.957 14.934 1.00 52.35 O HETATM 2144 O HOH A 349 13.923 18.419 18.345 1.00 52.88 O HETATM 2145 O HOH A 350 24.487 -4.752 14.600 1.00 52.88 O HETATM 2146 O HOH A 351 13.041 -18.667 33.010 1.00 53.01 O HETATM 2147 O HOH A 352 -3.577 -10.350 25.304 1.00 53.37 O HETATM 2148 O HOH A 353 13.074 -22.778 31.396 1.00 53.35 O HETATM 2149 O HOH A 354 -6.376 -10.628 12.373 1.00 53.85 O HETATM 2150 O HOH A 355 18.201 -8.320 30.179 1.00 54.16 O HETATM 2151 O HOH A 356 21.214 9.355 28.992 1.00 54.03 O HETATM 2152 O HOH A 357 -9.113 -3.188 25.272 1.00 54.50 O HETATM 2153 O HOH A 358 7.144 16.547 22.879 1.00 54.83 O HETATM 2154 O HOH A 359 -17.223 -4.704 11.749 1.00 54.98 O HETATM 2155 O HOH A 360 4.483 -8.490 7.202 1.00 55.08 O HETATM 2156 O HOH A 361 -4.250 8.364 24.860 1.00 55.92 O HETATM 2157 O HOH A 362 5.559 1.653 33.769 1.00 56.01 O HETATM 2158 O HOH A 363 4.524 -14.216 18.255 1.00 56.28 O HETATM 2159 O HOH A 364 7.250 -12.355 32.797 1.00 56.39 O HETATM 2160 O HOH A 365 9.512 -10.284 31.793 1.00 56.30 O HETATM 2161 O HOH A 366 -16.630 -4.825 2.896 1.00 56.70 O HETATM 2162 O HOH A 367 -7.090 -9.054 16.624 1.00 56.75 O HETATM 2163 O HOH A 368 -11.614 10.171 3.095 1.00 56.97 O HETATM 2164 O HOH A 369 7.383 -5.561 32.910 1.00 57.09 O HETATM 2165 O HOH A 370 21.140 -2.933 3.015 1.00 57.84 O HETATM 2166 O HOH A 371 3.482 10.290 31.632 1.00 58.18 O HETATM 2167 O HOH A 372 -6.191 -11.281 21.056 1.00 57.99 O HETATM 2168 O HOH A 373 7.055 8.015 29.017 1.00 58.59 O HETATM 2169 O HOH A 374 15.305 -17.341 33.619 1.00 59.33 O HETATM 2170 O HOH A 375 9.061 -11.210 11.161 1.00 59.09 O HETATM 2171 O HOH A 376 14.104 -7.647 32.187 1.00 59.59 O HETATM 2172 O HOH A 377 17.684 -14.476 9.927 1.00 59.35 O HETATM 2173 O HOH A 378 29.472 3.186 15.373 1.00 59.27 O HETATM 2174 O HOH A 379 4.260 -8.294 33.481 1.00 59.33 O HETATM 2175 O HOH A 380 -10.662 14.621 -2.580 1.00 59.59 O HETATM 2176 O HOH A 381 -15.520 2.404 17.086 1.00 60.19 O HETATM 2177 O HOH A 382 23.963 0.707 21.103 1.00 59.96 O HETATM 2178 O HOH A 383 -7.507 4.373 33.606 1.00 60.27 O HETATM 2179 O HOH A 384 1.012 -5.651 33.213 1.00 60.84 O HETATM 2180 O HOH A 385 18.189 -13.464 29.509 1.00 61.50 O HETATM 2181 O HOH A 386 17.086 -15.717 31.947 1.00 61.46 O HETATM 2182 O HOH A 387 1.943 -13.876 20.023 1.00 61.98 O HETATM 2183 O HOH A 388 8.101 12.510 31.670 1.00 61.83 O HETATM 2184 O HOH A 389 -15.794 3.027 12.771 1.00 62.69 O HETATM 2185 O HOH A 390 10.541 -24.845 21.151 1.00 62.61 O HETATM 2186 O HOH A 391 -8.228 -15.381 3.846 1.00 62.61 O HETATM 2187 O HOH A 392 5.133 -20.779 31.637 1.00 62.80 O HETATM 2188 O HOH A 393 -13.018 4.526 -2.374 1.00 62.79 O HETATM 2189 O HOH A 394 13.342 1.912 32.493 1.00 62.89 O HETATM 2190 O HOH A 395 -8.564 -1.987 27.256 1.00 63.50 O HETATM 2191 O HOH A 396 -8.032 -10.035 18.992 1.00 63.70 O HETATM 2192 O HOH A 397 2.004 8.607 33.576 1.00 64.03 O HETATM 2193 O HOH A 398 -15.475 0.143 21.312 1.00 64.01 O HETATM 2194 O HOH A 399 10.658 21.016 6.816 1.00 64.25 O HETATM 2195 O HOH A 400 1.907 1.257 32.699 1.00 64.00 O HETATM 2196 O HOH A 401 6.431 -22.580 25.544 1.00 64.40 O HETATM 2197 O HOH A 402 -9.234 -6.680 27.197 1.00 65.36 O HETATM 2198 O HOH A 403 -13.166 6.151 16.095 1.00 65.33 O HETATM 2199 O HOH A 404 -12.745 -4.738 18.759 1.00 65.57 O HETATM 2200 O HOH A 405 0.172 4.474 32.166 1.00 65.59 O HETATM 2201 O HOH A 406 0.880 18.947 20.246 1.00 65.49 O HETATM 2202 O HOH A 407 6.157 9.230 31.367 1.00 66.19 O HETATM 2203 O HOH A 408 22.195 12.122 1.719 1.00 66.62 O HETATM 2204 O HOH A 409 13.760 20.929 3.784 1.00 66.72 O HETATM 2205 O HOH A 410 22.663 7.299 3.421 1.00 66.53 O HETATM 2206 O HOH A 411 25.461 2.518 9.661 1.00 67.21 O HETATM 2207 O HOH A 412 28.143 -4.347 20.074 1.00 67.75 O HETATM 2208 O HOH A 413 24.334 3.597 4.043 1.00 70.25 O HETATM 2209 O HOH A 414 4.872 16.840 21.774 1.00 70.73 O HETATM 2210 O HOH A 415 12.960 12.818 29.541 1.00 71.17 O HETATM 2211 O HOH A 416 -4.322 11.426 29.478 1.00 72.12 O HETATM 2212 O HOH A 417 8.795 13.984 27.584 1.00 72.33 O HETATM 2213 O HOH A 418 8.353 -26.306 22.367 1.00 72.45 O HETATM 2214 O HOH A 419 7.991 -23.652 30.286 1.00 73.66 O HETATM 2215 O AHOH A 420 15.667 5.589 30.633 0.50 41.38 O HETATM 2216 O BHOH A 420 17.091 6.259 29.048 0.50 33.51 O CONECT 256 2027 CONECT 620 2027 CONECT 884 2027 CONECT 954 960 961 CONECT 960 954 962 CONECT 961 954 963 CONECT 962 960 964 968 CONECT 963 961 965 969 CONECT 964 962 966 976 CONECT 965 963 967 976 CONECT 966 964 CONECT 967 965 CONECT 968 962 970 CONECT 969 963 971 CONECT 970 968 972 CONECT 971 969 973 CONECT 972 970 974 CONECT 973 971 975 CONECT 974 972 CONECT 975 973 CONECT 976 964 965 CONECT 1237 1240 1241 CONECT 1240 1237 1242 CONECT 1241 1237 1243 CONECT 1242 1240 1244 1248 CONECT 1243 1241 1245 1249 CONECT 1244 1242 1246 1256 CONECT 1245 1243 1247 1256 CONECT 1246 1244 CONECT 1247 1245 CONECT 1248 1242 1250 CONECT 1249 1243 1251 CONECT 1250 1248 1252 CONECT 1251 1249 1253 CONECT 1252 1250 1254 CONECT 1253 1251 1255 CONECT 1254 1252 CONECT 1255 1253 CONECT 1256 1244 1245 CONECT 1627 1637 CONECT 1637 1627 1638 CONECT 1638 1637 1639 1641 CONECT 1639 1638 1640 1645 CONECT 1640 1639 CONECT 1641 1638 1642 CONECT 1642 1641 1643 CONECT 1643 1642 1644 CONECT 1644 1643 CONECT 1645 1639 CONECT 2027 256 620 884 CONECT 2032 2033 2034 CONECT 2033 2032 CONECT 2034 2032 2035 CONECT 2035 2034 CONECT 2036 2037 2038 CONECT 2037 2036 CONECT 2038 2036 2039 CONECT 2039 2038 CONECT 2040 2041 2042 CONECT 2041 2040 CONECT 2042 2040 2043 CONECT 2043 2042 CONECT 2044 2045 2046 CONECT 2045 2044 CONECT 2046 2044 2047 CONECT 2047 2046 CONECT 2048 2049 2050 CONECT 2049 2048 CONECT 2050 2048 2051 CONECT 2051 2050 CONECT 2052 2053 CONECT 2053 2052 2054 2055 2056 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2053 2057 CONECT 2057 2056 2058 2059 CONECT 2058 2057 CONECT 2059 2057 END