USER MOD reduce.3.24.130724 H: found=0, std=0, add=4263, rem=0, adj=123 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER ISOMERASE 11-MAY-09 3HF5 TITLE CRYSTAL STRUCTURE OF 4-METHYLMUCONOLACTONE METHYLISOMERASE IN COMPLEX TITLE 2 WITH 3-METHYLMUCONOLACTONE COMPND MOL_ID: 1; COMPND 2 MOLECULE: 4-METHYLMUCONOLACTONE METHYLISOMERASE; COMPND 3 CHAIN: A, B, C, D; COMPND 4 EC: 5.4.99.14; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS REINEKEI; SOURCE 3 ORGANISM_TAXID: 395598; SOURCE 4 STRAIN: MT1; SOURCE 5 GENE: MMLI; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: JM109; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PASKIBAMMLI KEYWDS FERREDOXIN, FERREDOXIN-LIKE FOLD, BETA-BARREL, ISOMERASE, 4- KEYWDS 2 METHYLMUCONOLACTONE METHYLISOMERASE, BIODEGRADATION, ORTHO-CLEAVAGE EXPDTA X-RAY DIFFRACTION AUTHOR M.MARIN,D.W.HEINZ,D.H.PIEPER,B.U.KLINK REVDAT 2 22-JAN-14 3HF5 1 JRNL VERSN REVDAT 1 29-SEP-09 3HF5 0 JRNL AUTH M.MARIN,D.W.HEINZ,D.H.PIEPER,B.U.KLINK JRNL TITL CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF JRNL TITL 2 4-METHYLMUCONOLACTONE METHYLISOMERASE JRNL REF J.BIOL.CHEM. V. 284 32709 2009 JRNL REFN ISSN 0021-9258 JRNL PMID 19801657 JRNL DOI 10.1074/JBC.M109.024604 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0063 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.88 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 3 NUMBER OF REFLECTIONS : 96243 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) : 0.179 REMARK 3 R VALUE (WORKING SET) : 0.177 REMARK 3 FREE R VALUE : 0.208 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 5065 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) : 1.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.44 REMARK 3 REFLECTION IN BIN (WORKING SET) : 7020 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 99.43 REMARK 3 BIN R VALUE (WORKING SET) : 0.2370 REMARK 3 BIN FREE R VALUE SET COUNT : 370 REMARK 3 BIN FREE R VALUE : 0.2630 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 3718 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 44 REMARK 3 SOLVENT ATOMS : 546 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.55 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.11000 REMARK 3 B22 (A**2) : 0.36000 REMARK 3 B33 (A**2) : -0.48000 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): 0.063 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.066 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.040 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 0.975 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.961 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.949 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 4379 ; 0.019 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 5984 ; 1.895 ; 1.966 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 552 ; 5.866 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 217 ;34.364 ;23.364 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 802 ;14.438 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 31 ;17.969 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 606 ; 0.126 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3485 ; 0.012 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): 2536 ; 1.209 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 4177 ; 2.052 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1843 ; 2.791 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1792 ; 4.407 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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 : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : 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: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3HF5 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-MAY-09. REMARK 100 THE RCSB ID CODE IS RCSB053058. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 21-SEP-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID23-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.10505 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XSCALE REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 101311 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 REMARK 200 RESOLUTION RANGE LOW (A) : 42.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.8 REMARK 200 DATA REDUNDANCY : 9.900 REMARK 200 R MERGE (I) : 0.08900 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.8700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.50 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.5 REMARK 200 DATA REDUNDANCY IN SHELL : 9.90 REMARK 200 R MERGE FOR SHELL (I) : 0.68200 REMARK 200 R SYM FOR SHELL (I) : 0.68000 REMARK 200 FOR SHELL : 3.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 3HDS REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.89 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.36 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 1500, 0.1M MMT, HANGING DROP, REMARK 280 TEMPERATURE 292K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 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 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 75.02500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 75.02500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 40.88000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 42.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 40.88000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 42.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 75.02500 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 40.88000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 42.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 75.02500 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 40.88000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 42.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 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: 4310 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 10960 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -28.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, D REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4250 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11070 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -27.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C 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 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 PRO A -8 REMARK 465 PRO C -8 REMARK 465 GLN C -7 REMARK 465 PHE C -6 REMARK 465 GLU C -5 REMARK 465 LYS C -4 REMARK 465 ILE C -3 REMARK 465 PRO D -8 REMARK 465 GLN D -7 REMARK 465 PHE D -6 REMARK 465 GLU D -5 REMARK 465 LYS D -4 REMARK 465 ILE D -3 REMARK 465 GLU D -2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE1 GLU C 105 O HOH C 207 1.94 REMARK 500 OE1 GLU D 105 O HOH D 347 2.00 REMARK 500 O HOH A 328 O HOH A 485 2.00 REMARK 500 O HOH B 250 O HOH B 459 2.05 REMARK 500 OE2 GLU A 40 O HOH A 281 2.08 REMARK 500 CG GLU B 105 O HOH B 461 2.11 REMARK 500 OE2 GLU A 40 O HOH D 347 2.11 REMARK 500 O SER B 81 O HOH B 456 2.13 REMARK 500 ND1 HIS B 16 O HOH B 315 2.14 REMARK 500 OE1 GLU B 40 O HOH B 271 2.16 REMARK 500 O HOH C 130 O HOH C 334 2.17 REMARK 500 O HOH D 435 O HOH D 516 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OE1 GLN B -7 O HOH D 157 5445 2.11 REMARK 500 REMARK 500 REMARK: NULL 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 SER D 81 CB SER D 81 OG -0.084 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP C 82 CB - CG - OD2 ANGL. DEV. = -6.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 HIS C 52 -66.60 72.30 REMARK 500 HIS D 52 -59.38 72.32 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG B 42 0.08 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3ML A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3ML B 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3ML C 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE 3ML D 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3HDS RELATED DB: PDB REMARK 900 THE SAME PROTEIN (MLMI) IN COMPLEX WITH A MES BUFFER REMARK 900 MOLECULE REMARK 900 RELATED ID: 3HFK RELATED DB: PDB REMARK 900 THE SAME PROTEIN (MLMI) IN COMPLEX WITH 4- REMARK 900 METHYLMUCONOLACTONE DBREF 3HF5 A 1 107 UNP C5MR76 C5MR76_9PSED 1 107 DBREF 3HF5 B 1 107 UNP C5MR76 C5MR76_9PSED 1 107 DBREF 3HF5 C 1 107 UNP C5MR76 C5MR76_9PSED 1 107 DBREF 3HF5 D 1 107 UNP C5MR76 C5MR76_9PSED 1 107 SEQADV 3HF5 PRO A -8 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLN A -7 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 PHE A -6 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU A -5 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 LYS A -4 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ILE A -3 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU A -2 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLY A -1 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ARG A 0 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 PRO B -8 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLN B -7 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 PHE B -6 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU B -5 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 LYS B -4 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ILE B -3 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU B -2 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLY B -1 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ARG B 0 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 PRO C -8 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLN C -7 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 PHE C -6 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU C -5 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 LYS C -4 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ILE C -3 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU C -2 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLY C -1 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ARG C 0 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 PRO D -8 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLN D -7 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 PHE D -6 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU D -5 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 LYS D -4 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ILE D -3 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLU D -2 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 GLY D -1 UNP C5MR76 EXPRESSION TAG SEQADV 3HF5 ARG D 0 UNP C5MR76 EXPRESSION TAG SEQRES 1 A 116 PRO GLN PHE GLU LYS ILE GLU GLY ARG MET ILE ARG ILE SEQRES 2 A 116 LEU TYR LEU LEU VAL LYS PRO GLU SER MET SER HIS GLU SEQRES 3 A 116 GLN PHE ARG LYS GLU CYS VAL VAL HIS PHE GLN MET SER SEQRES 4 A 116 ALA GLY MET PRO GLY LEU HIS LYS TYR GLU VAL ARG LEU SEQRES 5 A 116 VAL ALA GLY ASN PRO THR ASP THR HIS VAL PRO TYR LEU SEQRES 6 A 116 ASP VAL GLY ARG ILE ASP ALA ILE GLY GLU CYS TRP PHE SEQRES 7 A 116 ALA SER GLU GLU GLN TYR GLN VAL TYR MET GLU SER ASP SEQRES 8 A 116 ILE ARG LYS ALA TRP PHE GLU HIS GLY LYS TYR PHE ILE SEQRES 9 A 116 GLY GLN LEU LYS PRO PHE VAL THR GLU GLU LEU VAL SEQRES 1 B 116 PRO GLN PHE GLU LYS ILE GLU GLY ARG MET ILE ARG ILE SEQRES 2 B 116 LEU TYR LEU LEU VAL LYS PRO GLU SER MET SER HIS GLU SEQRES 3 B 116 GLN PHE ARG LYS GLU CYS VAL VAL HIS PHE GLN MET SER SEQRES 4 B 116 ALA GLY MET PRO GLY LEU HIS LYS TYR GLU VAL ARG LEU SEQRES 5 B 116 VAL ALA GLY ASN PRO THR ASP THR HIS VAL PRO TYR LEU SEQRES 6 B 116 ASP VAL GLY ARG ILE ASP ALA ILE GLY GLU CYS TRP PHE SEQRES 7 B 116 ALA SER GLU GLU GLN TYR GLN VAL TYR MET GLU SER ASP SEQRES 8 B 116 ILE ARG LYS ALA TRP PHE GLU HIS GLY LYS TYR PHE ILE SEQRES 9 B 116 GLY GLN LEU LYS PRO PHE VAL THR GLU GLU LEU VAL SEQRES 1 C 116 PRO GLN PHE GLU LYS ILE GLU GLY ARG MET ILE ARG ILE SEQRES 2 C 116 LEU TYR LEU LEU VAL LYS PRO GLU SER MET SER HIS GLU SEQRES 3 C 116 GLN PHE ARG LYS GLU CYS VAL VAL HIS PHE GLN MET SER SEQRES 4 C 116 ALA GLY MET PRO GLY LEU HIS LYS TYR GLU VAL ARG LEU SEQRES 5 C 116 VAL ALA GLY ASN PRO THR ASP THR HIS VAL PRO TYR LEU SEQRES 6 C 116 ASP VAL GLY ARG ILE ASP ALA ILE GLY GLU CYS TRP PHE SEQRES 7 C 116 ALA SER GLU GLU GLN TYR GLN VAL TYR MET GLU SER ASP SEQRES 8 C 116 ILE ARG LYS ALA TRP PHE GLU HIS GLY LYS TYR PHE ILE SEQRES 9 C 116 GLY GLN LEU LYS PRO PHE VAL THR GLU GLU LEU VAL SEQRES 1 D 116 PRO GLN PHE GLU LYS ILE GLU GLY ARG MET ILE ARG ILE SEQRES 2 D 116 LEU TYR LEU LEU VAL LYS PRO GLU SER MET SER HIS GLU SEQRES 3 D 116 GLN PHE ARG LYS GLU CYS VAL VAL HIS PHE GLN MET SER SEQRES 4 D 116 ALA GLY MET PRO GLY LEU HIS LYS TYR GLU VAL ARG LEU SEQRES 5 D 116 VAL ALA GLY ASN PRO THR ASP THR HIS VAL PRO TYR LEU SEQRES 6 D 116 ASP VAL GLY ARG ILE ASP ALA ILE GLY GLU CYS TRP PHE SEQRES 7 D 116 ALA SER GLU GLU GLN TYR GLN VAL TYR MET GLU SER ASP SEQRES 8 D 116 ILE ARG LYS ALA TRP PHE GLU HIS GLY LYS TYR PHE ILE SEQRES 9 D 116 GLY GLN LEU LYS PRO PHE VAL THR GLU GLU LEU VAL HET 3ML A 201 11 HET 3ML B 201 11 HET 3ML C 201 11 HET 3ML D 201 11 HETNAM 3ML [(2S)-3-METHYL-5-OXO-2,5-DIHYDROFURAN-2-YL]ACETIC ACID HETSYN 3ML 3-METHYLMUCONOLACTONE FORMUL 5 3ML 4(C7 H8 O4) FORMUL 9 HOH *546(H2 O) HELIX 1 1 GLN A -7 ARG A 0 1 8 HELIX 2 2 SER A 15 SER A 30 1 16 HELIX 3 3 SER A 71 SER A 81 1 11 HELIX 4 4 SER A 81 ILE A 95 1 15 HELIX 5 5 PRO B -8 ARG B 0 1 9 HELIX 6 6 SER B 15 ALA B 31 1 17 HELIX 7 7 SER B 71 SER B 81 1 11 HELIX 8 8 SER B 81 ILE B 95 1 15 HELIX 9 9 SER C 15 SER C 30 1 16 HELIX 10 10 SER C 71 SER C 81 1 11 HELIX 11 11 SER C 81 ILE C 95 1 15 HELIX 12 12 SER D 15 SER D 30 1 16 HELIX 13 13 SER D 71 SER D 81 1 11 HELIX 14 14 SER D 81 ILE D 95 1 15 SHEET 1 A 9 ILE A 2 VAL A 9 0 SHEET 2 A 9 ALA A 63 PHE A 69 -1 O ALA A 63 N LEU A 8 SHEET 3 A 9 LYS A 38 GLY A 46 -1 N ARG A 42 O ILE A 64 SHEET 4 A 9 GLN D 97 GLU D 105 -1 O VAL D 102 N ALA A 45 SHEET 5 A 9 ILE D 2 VAL D 9 -1 N LEU D 5 O PHE D 101 SHEET 6 A 9 ALA D 63 PHE D 69 -1 O GLY D 65 N TYR D 6 SHEET 7 A 9 LYS D 38 GLY D 46 -1 N ARG D 42 O ILE D 64 SHEET 8 A 9 GLN A 97 GLU A 105 -1 N VAL A 102 O ALA D 45 SHEET 9 A 9 ILE A 2 VAL A 9 -1 N LEU A 5 O PHE A 101 SHEET 1 B 9 ILE B 2 VAL B 9 0 SHEET 2 B 9 ALA B 63 PHE B 69 -1 O GLY B 65 N TYR B 6 SHEET 3 B 9 LYS B 38 GLY B 46 -1 N ARG B 42 O ILE B 64 SHEET 4 B 9 GLN C 97 GLU C 105 -1 O VAL C 102 N ALA B 45 SHEET 5 B 9 ILE C 2 VAL C 9 -1 N LEU C 5 O PHE C 101 SHEET 6 B 9 ALA C 63 PHE C 69 -1 O GLY C 65 N TYR C 6 SHEET 7 B 9 LYS C 38 GLY C 46 -1 N ARG C 42 O ILE C 64 SHEET 8 B 9 GLN B 97 GLU B 104 -1 N VAL B 102 O ALA C 45 SHEET 9 B 9 ILE B 2 VAL B 9 -1 N LEU B 5 O PHE B 101 SITE *** AC1 6 TYR A 6 HIS A 26 TYR A 39 TYR A 78 SITE *** AC1 6 PHE A 88 GLY A 91 SITE *** AC2 9 TYR B 6 HIS B 26 TYR B 39 TYR B 78 SITE *** AC2 9 PHE B 88 GLY B 91 ILE B 95 HOH B 514 SITE *** AC2 9 HOH C 513 SITE *** AC3 7 HIS B 52 TYR C 6 HIS C 26 TYR C 39 SITE *** AC3 7 TYR C 78 PHE C 88 GLY C 91 SITE *** AC4 7 HIS A 52 TYR D 6 HIS D 26 TYR D 39 SITE *** AC4 7 TYR D 78 PHE D 88 GLY D 91 CRYST1 81.760 84.000 150.050 90.00 90.00 90.00 C 2 2 21 32 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 0.012231 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011905 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006664 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 201 3MLHOAB : A 201 3ML OAB : A 201 3ML CAH :(short bond) USER MOD NoAdj-H: B 201 3MLHOAB : B 201 3ML OAB : B 201 3ML CAH :(short bond) USER MOD NoAdj-H: C 201 3MLHOAB : C 201 3ML OAB : C 201 3ML CAH :(short bond) USER MOD NoAdj-H: D 201 3MLHOAB : D 201 3ML OAB : D 201 3ML CAH :(short bond) USER MOD Set 1.1: D 26 HIS : no HE2:sc= 0.903 K(o=3.9,f=-6.6!) USER MOD Set 1.2: D 39 TYR OH : rot 21:sc= 0.948 USER MOD Set 1.3: D 90 HIS : no HD1:sc= 2.03 K(o=3.9,f=-12!) USER MOD Set 2.1: A 99 LYS NZ :NH3+ 176:sc= 2.23 (180deg=1.36) USER MOD Set 2.2: D 47 ASN : amide:sc= 1.94 K(o=4.5,f=-3.2!) USER MOD Set 2.3: D 55 TYR OH : rot 180:sc= 0.33 USER MOD Set 3.1: D 1 MET CE :methyl -157:sc= 0 (180deg=0) USER MOD Set 3.2: D 37 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Set 4.1: C 67 CYS SG : rot -160:sc= -0.0214 USER MOD Set 4.2: C 78 TYR OH : rot 156:sc= 1.14 USER MOD Set 5.1: C 26 HIS : no HE2:sc= 0.869 K(o=3.2,f=-7.3!) USER MOD Set 5.2: C 39 TYR OH : rot 18:sc= 0.767 USER MOD Set 5.3: C 90 HIS : no HD1:sc= 1.52 K(o=3.2,f=-11!) USER MOD Set 6.1: B 99 LYS NZ :NH3+ -169:sc= 2.04 (180deg=1.26) USER MOD Set 6.2: C 47 ASN : amide:sc= 2.61 K(o=6,f=-2.5!) USER MOD Set 6.3: C 55 TYR OH : rot 150:sc= 1.37 USER MOD Set 7.1: B 47 ASN : amide:sc= 2.52 K(o=6,f=-1.5!) USER MOD Set 7.2: B 55 TYR OH : rot 123:sc= 1.65 USER MOD Set 7.3: C 99 LYS NZ :NH3+ -175:sc= 1.88 (180deg=1.21) USER MOD Set 8.1: B 26 HIS : no HE2:sc= 0.451 K(o=2.8,f=-6.8!) USER MOD Set 8.2: B 39 TYR OH : rot 26:sc= 0.852 USER MOD Set 8.3: B 90 HIS : no HD1:sc= 1.47 K(o=2.8,f=-12!) USER MOD Set 9.1: A 18 GLN : amide:sc= 2.82 K(o=3.4,f=2.2) USER MOD Set 9.2: A 93 TYR OH : rot 30:sc= 0.608 USER MOD Set10.1: A 75 TYR OH : rot 166:sc= -0.715 USER MOD Set10.2: A 79 MET CE B:methyl -125:sc= -4.34! (180deg=-0.644) USER MOD Set11.1: A 47 ASN : amide:sc= 2.25 K(o=4.3,f=-0.83!) USER MOD Set11.2: A 55 TYR OH : rot 180:sc= 0.353 USER MOD Set11.3: D 99 LYS NZ :NH3+ 177:sc= 1.69 (180deg=1.43) USER MOD Set12.1: A 26 HIS : no HD1:sc= -3.94! C(o=-12!,f=-6.4!) USER MOD Set12.2: A 39 TYR OH : rot 21:sc= 0.976 USER MOD Set12.3: A 90 HIS : no HD1:sc= -8.63! K(o=-12!,f=3.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -143:sc= 0.956 USER MOD Single : A -4 LYS NZ :NH3+ 166:sc= -0.759! (180deg=-1.6!) USER MOD Single : A -7 GLN : amide:sc= -0.255 K(o=-0.25,f=-2.4!) USER MOD Single : A -7 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0.987 (180deg=0.872) USER MOD Single : A 13 SER OG A: rot 85:sc= 1.47 USER MOD Single : A 13 SER OG B: rot -106:sc= 3.12 USER MOD Single : A 14 MET CE :methyl -127:sc= -0.0502 (180deg=-0.308) USER MOD Single : A 15 SER OG : rot -71:sc= 0.538 USER MOD Single : A 16 HIS : no HD1:sc= -4.4! K(o=-4.4!,f=1.2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.976 K(o=0.98,f=-0.6) USER MOD Single : A 29 MET CE :methyl 166:sc= -0.21 (180deg=-0.41) USER MOD Single : A 30 SER OG : rot -50:sc= 2.36 USER MOD Single : A 33 MET CE A:methyl -172:sc= -1.59 (180deg=-1.69) USER MOD Single : A 33 MET CE B:methyl -133:sc= -20.8! (180deg=-22.6!) USER MOD Single : A 37 HIS : no HD1:sc= 1.18 K(o=1.2,f=-4.9!) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 1.51 (180deg=1.51) USER MOD Single : A 49 THR OG1A: rot 180:sc= 0 USER MOD Single : A 49 THR OG1B: rot 180:sc= 0 USER MOD Single : A 51 THR OG1A: rot 105:sc= 2.25 USER MOD Single : A 51 THR OG1B: rot 113:sc= 1.98 USER MOD Single : A 52 HIS A: no HD1:sc= -4.73! C(o=-4.7!,f=-13!) USER MOD Single : A 52 HIS B: no HD1:sc= -19.5! C(o=-19!,f=-22!) USER MOD Single : A 67 CYS SG : rot -160:sc= -0.0331 USER MOD Single : A 71 SER OG : rot -173:sc= 1.38 USER MOD Single : A 74 GLN : amide:sc= 0.146 K(o=0.15,f=1.4) USER MOD Single : A 76 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.24) USER MOD Single : A 78 TYR OH : rot -97:sc= 1.28 USER MOD Single : A 79 MET CE A:methyl -158:sc= -0.3 (180deg=-1.21) USER MOD Single : A 81 SER OG A: rot 64:sc= -0.769 USER MOD Single : A 81 SER OG B: rot 180:sc= 0.101 USER MOD Single : A 85 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ B:NH3+ -163:sc= -3.2! (180deg=-3.48!) USER MOD Single : A 92 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 78:sc= 0.266 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 6 TYR OH : rot 150:sc= 1.55 USER MOD Single : B -4 LYS NZ :NH3+ 160:sc= -0.206 (180deg=-0.562) USER MOD Single : B -7 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.34) USER MOD Single : B 10 LYS NZ :NH3+ 170:sc= 1.15 (180deg=0.787) USER MOD Single : B 13 SER OG : rot -80:sc= 0.0203 USER MOD Single : B 14 MET CE :methyl -151:sc= -0.0264 (180deg=-0.103) USER MOD Single : B 15 SER OG : rot 180:sc= 0.122 USER MOD Single : B 16 HIS A: no HE2:sc= 2.41 K(o=2.4,f=-8.6!) USER MOD Single : B 16 HIS B: no HE2:sc= -8.95! C(o=-9!,f=-13!) USER MOD Single : B 18 GLN : amide:sc= 2.95 K(o=2.9,f=-0.038) USER MOD Single : B 21 LYS NZ A:NH3+ 167:sc= 1.27 (180deg=1.1) USER MOD Single : B 21 LYS NZ B:NH3+ 171:sc= 0.923 (180deg=0.872) USER MOD Single : B 23 CYS SG : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 0.744 K(o=0.74,f=-0.29) USER MOD Single : B 29 MET CE :methyl 167:sc= -0.298 (180deg=-0.693) USER MOD Single : B 30 SER OG : rot -54:sc= 2.33 USER MOD Single : B 33 MET CE A:methyl -160:sc= -4.44! (180deg=-5.64!) USER MOD Single : B 33 MET CE B:methyl -173:sc= -24.5! (180deg=-24.7!) USER MOD Single : B 37 HIS : no HD1:sc= 1.11 K(o=1.1,f=-5.2!) USER MOD Single : B 38 LYS NZ :NH3+ 169:sc= 1.49 (180deg=1.36) USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 THR OG1 : rot 88:sc= 1.25 USER MOD Single : B 52 HIS A: no HD1:sc= -6.46! K(o=-6.5!,f=-1.7) USER MOD Single : B 52 HIS B: no HD1:sc= -21.7! C(o=-22!,f=-19!) USER MOD Single : B 67 CYS SG : rot 98:sc= 0 USER MOD Single : B 71 SER OG : rot 168:sc= 0.904 USER MOD Single : B 74 GLN : amide:sc= 0.19 K(o=0.19,f=-1.2!) USER MOD Single : B 75 TYR OH : rot 169:sc= 1.93 USER MOD Single : B 76 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.89) USER MOD Single : B 78 TYR OH : rot -178:sc= 1.53 USER MOD Single : B 79 MET CE A:methyl -162:sc= -0.172 (180deg=-0.573) USER MOD Single : B 79 MET CE B:methyl -161:sc= -0.118 (180deg=-1.03) USER MOD Single : B 81 SER OG : rot -60:sc= 0.276 USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 92 LYS NZ :NH3+ 178:sc= 0.167 (180deg=0.166) USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 97 GLN : amide:sc= 2.51 K(o=2.5,f=1.7) USER MOD Single : B 103 THR OG1 : rot -52:sc= 0.247 USER MOD Single : C 1 MET CE :methyl 149:sc= -1.2! (180deg=-4.14!) USER MOD Single : C 6 TYR OH : rot 9:sc= 2.34 USER MOD Single : C -2 GLU N :NH3+ -112:sc= 0.031 (180deg=0) USER MOD Single : C 10 LYS NZ :NH3+ 159:sc= 1.51 (180deg=0.896) USER MOD Single : C 13 SER OG : rot -116:sc= 2.21 USER MOD Single : C 14 MET CE :methyl -160:sc= -0.0828 (180deg=-0.403) USER MOD Single : C 15 SER OG : rot 180:sc= 1.68 USER MOD Single : C 16 HIS : no HD1:sc= -7.06! K(o=-7.1!,f=2.2) USER MOD Single : C 18 GLN : amide:sc= 1.99 K(o=2,f=0.17) USER MOD Single : C 21 LYS NZ A:NH3+ 143:sc= 0.83 (180deg=0.159) USER MOD Single : C 21 LYS NZ B:NH3+ 147:sc= -0.0138 (180deg=-0.584) USER MOD Single : C 23 CYS SG : rot 73:sc= 0.00296 USER MOD Single : C 28 GLN : amide:sc= 2.28 K(o=2.3,f=-0.85) USER MOD Single : C 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 30 SER OG : rot -62:sc= 2.23 USER MOD Single : C 33 MET CE A:methyl -177:sc= -0.0703 (180deg=-0.0847) USER MOD Single : C 33 MET CE B:methyl -136:sc= -3.13! (180deg=-5.76!) USER MOD Single : C 37 HIS : no HD1:sc= 0 X(o=0,f=0.16) USER MOD Single : C 38 LYS NZ A:NH3+ 149:sc= 1.39 (180deg=0.661) USER MOD Single : C 38 LYS NZ B:NH3+ 151:sc= 1.79 (180deg=0.422) USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 51 THR OG1 : rot 89:sc= 0.948 USER MOD Single : C 52 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : C 71 SER OG : rot -158:sc= 1.23 USER MOD Single : C 74 GLN A: amide:sc= -3.71! K(o=-3.7!,f=0.23) USER MOD Single : C 74 GLN B: amide:sc= -0.254 X(o=-0.25,f=-0.73) USER MOD Single : C 75 TYR OH : rot -173:sc= 2.58 USER MOD Single : C 76 GLN : amide:sc= 2.32 K(o=2.3,f=1.1) USER MOD Single : C 79 MET CE A:methyl -163:sc= -0.0303 (180deg=-0.311) USER MOD Single : C 79 MET CE B:methyl -173:sc= 0 (180deg=-0.042) USER MOD Single : C 81 SER OG : rot -160:sc= 0.0663 USER MOD Single : C 85 LYS NZ :NH3+ 178:sc= 1.31 (180deg=1.28) USER MOD Single : C 92 LYS NZ :NH3+ -177:sc= 1.34 (180deg=1.23) USER MOD Single : C 93 TYR OH : rot 180:sc= 0 USER MOD Single : C 97 GLN : amide:sc= 2.34 X(o=2.3,f=2.1) USER MOD Single : C 103 THR OG1 : rot -54:sc= 1.15 USER MOD Single : D 6 TYR OH : rot 17:sc= 2.32 USER MOD Single : D -1 GLY N :NH3+ -143:sc= 0.00391 (180deg=0) USER MOD Single : D 10 LYS NZ :NH3+ 171:sc= 2 (180deg=1.76) USER MOD Single : D 13 SER OG : rot 67:sc= 1.73 USER MOD Single : D 14 MET CE :methyl -174:sc= 0 (180deg=-0.0648) USER MOD Single : D 15 SER OG : rot -169:sc= 0.536 USER MOD Single : D 16 HIS A: no HD1:sc= -0.238 K(o=-0.24,f=0.56) USER MOD Single : D 16 HIS B: no HD1:sc= -3! K(o=-3!,f=0.49) USER MOD Single : D 18 GLN A: amide:sc= 1.41 K(o=1.4,f=-3.1!) USER MOD Single : D 18 GLN B: amide:sc= -0.229 X(o=-0.23,f=0.058) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 23 CYS SG : rot 180:sc= 0 USER MOD Single : D 28 GLN A: amide:sc= 2.07 K(o=2.1,f=-2.5) USER MOD Single : D 28 GLN B: amide:sc= -2.36! C(o=-2.4!,f=-3.7!) USER MOD Single : D 29 MET CE :methyl 163:sc= 0 (180deg=-0.228) USER MOD Single : D 30 SER OG : rot -58:sc= 2.35 USER MOD Single : D 33 MET CE A:methyl -176:sc= -0.158 (180deg=-0.2) USER MOD Single : D 33 MET CE B:methyl -122:sc= -2.76! (180deg=-6.23!) USER MOD Single : D 38 LYS NZ :NH3+ 143:sc= 1.15 (180deg=0.306) USER MOD Single : D 49 THR OG1 : rot 180:sc= 0 USER MOD Single : D 51 THR OG1 : rot 94:sc= 0.757 USER MOD Single : D 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : D 67 CYS SG : rot -150:sc= -0.184 USER MOD Single : D 71 SER OG : rot -179:sc= 1.57 USER MOD Single : D 74 GLN : amide:sc= -1.36 K(o=-1.4,f=0.97) USER MOD Single : D 75 TYR OH : rot -170:sc= 2.28 USER MOD Single : D 76 GLN : amide:sc= 0.696 K(o=0.7,f=-0.31) USER MOD Single : D 78 TYR OH : rot 157:sc= 1.2 USER MOD Single : D 79 MET CE :methyl -178:sc= 0 (180deg=-0.00991) USER MOD Single : D 81 SER OG : rot 170:sc= -1.07 USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 92 LYS NZ :NH3+ 151:sc= 1.33 (180deg=1.24) USER MOD Single : D 93 TYR OH : rot 180:sc= 0 USER MOD Single : D 97 GLN : amide:sc= 0.844 K(o=0.84,f=1.7) USER MOD Single : D 103 THR OG1 : rot 77:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -7 36.366 35.780 16.069 1.00 29.89 N ATOM 2 CA GLN A -7 36.272 35.243 14.670 1.00 27.93 C ATOM 3 C GLN A -7 36.313 33.695 14.609 1.00 25.09 C ATOM 4 O GLN A -7 35.520 33.124 13.870 1.00 24.76 O ATOM 5 CB GLN A -7 37.340 35.876 13.784 1.00 29.24 C ATOM 6 CG GLN A -7 37.524 35.271 12.410 1.00 30.38 C ATOM 7 CD GLN A -7 38.958 35.362 11.931 1.00 36.79 C ATOM 8 OE1 GLN A -7 39.846 35.726 12.712 1.00 40.12 O ATOM 9 NE2 GLN A -7 39.213 35.003 10.640 1.00 37.29 N ATOM 0 H1 GLN A -7 36.338 36.669 16.048 1.00 29.89 H new ATOM 0 H2 GLN A -7 35.684 35.473 16.551 1.00 29.89 H new ATOM 0 H3 GLN A -7 37.132 35.516 16.438 1.00 29.89 H new ATOM 0 HA GLN A -7 35.400 35.493 14.326 1.00 27.93 H new ATOM 0 HB2 GLN A -7 37.126 36.816 13.676 1.00 29.24 H new ATOM 0 HB3 GLN A -7 38.189 35.830 14.252 1.00 29.24 H new ATOM 0 HG2 GLN A -7 37.250 34.341 12.429 1.00 30.38 H new ATOM 0 HG3 GLN A -7 36.944 35.725 11.778 1.00 30.38 H new ATOM 0 HE21 GLN A -7 38.569 34.755 10.127 1.00 37.29 H new ATOM 0 HE22 GLN A -7 40.018 35.024 10.339 1.00 37.29 H new ATOM 10 N PHE A -6 37.247 33.045 15.325 1.00 22.74 N ATOM 11 CA PHE A -6 37.140 31.603 15.610 1.00 20.26 C ATOM 12 C PHE A -6 35.747 31.124 16.038 1.00 18.65 C ATOM 13 O PHE A -6 35.202 30.227 15.412 1.00 15.56 O ATOM 14 CB PHE A -6 38.141 31.067 16.624 1.00 20.85 C ATOM 15 CG PHE A -6 38.423 29.631 16.402 1.00 15.75 C ATOM 16 CD1 PHE A -6 39.385 29.266 15.461 1.00 17.75 C ATOM 17 CD2 PHE A -6 37.714 28.617 17.052 1.00 15.42 C ATOM 18 CE1 PHE A -6 39.656 27.983 15.194 1.00 19.12 C ATOM 19 CE2 PHE A -6 37.999 27.285 16.745 1.00 15.82 C ATOM 20 CZ PHE A -6 38.981 26.976 15.839 1.00 15.97 C ATOM 0 H PHE A -6 37.948 33.421 15.653 1.00 22.74 H new ATOM 0 HA PHE A -6 37.347 31.238 14.736 1.00 20.26 H new ATOM 0 HB2 PHE A -6 38.966 31.573 16.564 1.00 20.85 H new ATOM 0 HB3 PHE A -6 37.795 31.195 17.521 1.00 20.85 H new ATOM 0 HD1 PHE A -6 39.850 29.931 15.007 1.00 17.75 H new ATOM 0 HD2 PHE A -6 37.061 28.827 17.680 1.00 15.42 H new ATOM 0 HE1 PHE A -6 40.308 27.771 14.565 1.00 19.12 H new ATOM 0 HE2 PHE A -6 37.520 26.603 17.158 1.00 15.82 H new ATOM 0 HZ PHE A -6 39.189 26.087 15.662 1.00 15.97 H new ATOM 21 N GLU A -5 35.200 31.670 17.112 1.00 19.28 N ATOM 22 CA GLU A -5 33.893 31.236 17.578 1.00 19.64 C ATOM 23 C GLU A -5 32.798 31.444 16.528 1.00 17.73 C ATOM 24 O GLU A -5 31.910 30.588 16.323 1.00 16.42 O ATOM 25 CB GLU A -5 33.499 31.978 18.861 1.00 23.41 C ATOM 26 CG GLU A -5 33.302 31.022 20.020 1.00 30.80 C ATOM 27 CD GLU A -5 34.617 30.544 20.630 1.00 38.61 C ATOM 28 OE1 GLU A -5 35.311 29.704 19.999 1.00 42.06 O ATOM 29 OE2 GLU A -5 34.952 31.006 21.756 1.00 43.37 O ATOM 0 H GLU A -5 35.566 32.289 17.583 1.00 19.28 H new ATOM 0 HA GLU A -5 33.969 30.285 17.754 1.00 19.64 H new ATOM 0 HB2 GLU A -5 34.187 32.624 19.086 1.00 23.41 H new ATOM 0 HB3 GLU A -5 32.681 32.477 18.709 1.00 23.41 H new ATOM 0 HG2 GLU A -5 32.773 31.458 20.706 1.00 30.80 H new ATOM 0 HG3 GLU A -5 32.794 30.253 19.716 1.00 30.80 H new ATOM 30 N LYS A -4 32.880 32.560 15.808 1.00 17.77 N ATOM 31 CA LYS A -4 31.955 32.810 14.744 1.00 17.12 C ATOM 32 C LYS A -4 32.011 31.754 13.618 1.00 16.85 C ATOM 33 O LYS A -4 30.989 31.278 13.141 1.00 16.83 O ATOM 34 CB LYS A -4 32.200 34.201 14.113 1.00 19.30 C ATOM 35 CG LYS A -4 31.305 34.457 12.937 1.00 23.09 C ATOM 36 CD LYS A -4 29.934 35.062 13.334 1.00 32.88 C ATOM 37 CE LYS A -4 29.998 36.599 13.370 1.00 34.66 C ATOM 38 NZ LYS A -4 31.011 37.073 12.403 1.00 40.52 N ATOM 0 H LYS A -4 33.468 33.176 15.930 1.00 17.77 H new ATOM 0 HA LYS A -4 31.077 32.767 15.155 1.00 17.12 H new ATOM 0 HB2 LYS A -4 32.055 34.888 14.783 1.00 19.30 H new ATOM 0 HB3 LYS A -4 33.126 34.268 13.833 1.00 19.30 H new ATOM 0 HG2 LYS A -4 31.752 35.060 12.323 1.00 23.09 H new ATOM 0 HG3 LYS A -4 31.159 33.624 12.462 1.00 23.09 H new ATOM 0 HD2 LYS A -4 29.256 34.778 12.701 1.00 32.88 H new ATOM 0 HD3 LYS A -4 29.668 34.726 14.204 1.00 32.88 H new ATOM 0 HE2 LYS A -4 29.130 36.974 13.153 1.00 34.66 H new ATOM 0 HE3 LYS A -4 30.223 36.902 14.264 1.00 34.66 H new ATOM 0 HZ1 LYS A -4 30.911 37.948 12.273 1.00 40.52 H new ATOM 0 HZ2 LYS A -4 31.826 36.912 12.723 1.00 40.52 H new ATOM 0 HZ3 LYS A -4 30.907 36.645 11.630 1.00 40.52 H new ATOM 39 N ILE A -3 33.227 31.394 13.177 1.00 15.32 N ATOM 40 CA ILE A -3 33.387 30.417 12.105 1.00 14.84 C ATOM 41 C ILE A -3 33.018 29.025 12.594 1.00 12.66 C ATOM 42 O ILE A -3 32.373 28.292 11.897 1.00 12.53 O ATOM 43 CB ILE A -3 34.834 30.441 11.519 1.00 16.45 C ATOM 44 CG1 ILE A -3 35.145 31.848 11.034 1.00 20.25 C ATOM 45 CG2 ILE A -3 34.975 29.442 10.424 1.00 15.41 C ATOM 46 CD1 ILE A -3 34.278 32.292 9.904 1.00 23.17 C ATOM 0 H ILE A -3 33.965 31.707 13.489 1.00 15.32 H new ATOM 0 HA ILE A -3 32.781 30.660 11.387 1.00 14.84 H new ATOM 0 HB ILE A -3 35.471 30.198 12.209 1.00 16.45 H new ATOM 0 HG12 ILE A -3 35.043 32.467 11.773 1.00 20.25 H new ATOM 0 HG13 ILE A -3 36.073 31.889 10.756 1.00 20.25 H new ATOM 0 HG21 ILE A -3 35.879 29.472 10.073 1.00 15.41 H new ATOM 0 HG22 ILE A -3 34.792 28.554 10.770 1.00 15.41 H new ATOM 0 HG23 ILE A -3 34.346 29.648 9.715 1.00 15.41 H new ATOM 0 HD11 ILE A -3 34.524 33.193 9.641 1.00 23.17 H new ATOM 0 HD12 ILE A -3 34.396 31.692 9.151 1.00 23.17 H new ATOM 0 HD13 ILE A -3 33.349 32.280 10.184 1.00 23.17 H new ATOM 47 N GLU A -2 33.396 28.742 13.841 1.00 12.63 N ATOM 48 CA GLU A -2 32.981 27.491 14.472 1.00 14.38 C ATOM 49 C GLU A -2 31.464 27.342 14.510 1.00 14.13 C ATOM 50 O GLU A -2 30.912 26.277 14.222 1.00 13.78 O ATOM 51 CB GLU A -2 33.700 27.382 15.810 1.00 15.48 C ATOM 52 CG GLU A -2 33.615 26.076 16.510 1.00 17.89 C ATOM 53 CD GLU A -2 34.275 26.179 17.820 1.00 19.86 C ATOM 54 OE1 GLU A -2 33.829 26.964 18.701 1.00 19.88 O ATOM 55 OE2 GLU A -2 35.272 25.462 18.016 1.00 16.58 O ATOM 0 H GLU A -2 33.885 29.252 14.331 1.00 12.63 H new ATOM 0 HA GLU A -2 33.248 26.722 13.944 1.00 14.38 H new ATOM 0 HB2 GLU A -2 34.637 27.588 15.668 1.00 15.48 H new ATOM 0 HB3 GLU A -2 33.346 28.065 16.400 1.00 15.48 H new ATOM 0 HG2 GLU A -2 32.687 25.819 16.624 1.00 17.89 H new ATOM 0 HG3 GLU A -2 34.038 25.384 15.977 1.00 17.89 H new ATOM 56 N GLY A -1 30.763 28.424 14.847 1.00 12.86 N ATOM 57 CA GLY A -1 29.312 28.364 14.905 1.00 14.24 C ATOM 58 C GLY A -1 28.627 28.069 13.594 1.00 13.26 C ATOM 59 O GLY A -1 27.526 27.546 13.545 1.00 13.60 O ATOM 0 H GLY A -1 31.105 29.189 15.042 1.00 12.86 H new ATOM 0 HA2 GLY A -1 29.056 27.683 15.547 1.00 14.24 H new ATOM 0 HA3 GLY A -1 28.981 29.211 15.243 1.00 14.24 H new ATOM 60 N AARG A 0 29.264 28.406 12.459 0.50 13.74 N ATOM 61 N BARG A 0 29.354 28.412 12.516 0.50 13.22 N ATOM 62 CA AARG A 0 28.674 28.093 11.153 0.50 14.14 C ATOM 63 CA BARG A 0 28.948 28.216 11.137 0.50 13.48 C ATOM 64 C AARG A 0 29.077 26.737 10.546 0.50 13.93 C ATOM 65 C BARG A 0 29.274 26.844 10.507 0.50 13.05 C ATOM 66 O AARG A 0 28.649 26.391 9.416 0.50 14.48 O ATOM 67 O BARG A 0 28.994 26.582 9.338 0.50 14.48 O ATOM 68 CB AARG A 0 29.006 29.194 10.127 0.50 15.43 C ATOM 69 CB BARG A 0 29.605 29.323 10.279 0.50 12.40 C ATOM 70 CG AARG A 0 28.178 30.459 10.271 0.50 14.97 C ATOM 71 CG BARG A 0 29.100 30.699 10.659 0.50 15.69 C ATOM 72 CD AARG A 0 26.769 30.365 9.674 0.50 22.60 C ATOM 73 CD BARG A 0 29.020 31.621 9.441 0.50 17.45 C ATOM 74 NE AARG A 0 26.259 31.688 9.274 0.50 27.19 N ATOM 75 NE BARG A 0 28.428 32.907 9.796 0.50 20.00 N ATOM 76 CZ AARG A 0 25.220 31.886 8.468 0.50 27.18 C ATOM 77 CZ BARG A 0 29.108 34.043 9.838 0.50 24.96 C ATOM 78 NH1AARG A 0 24.563 30.857 7.959 0.50 26.34 N ATOM 79 NH1BARG A 0 30.393 34.052 9.518 0.50 24.85 N ATOM 80 NH2AARG A 0 24.849 33.114 8.152 0.50 30.09 N ATOM 81 NH2BARG A 0 28.488 35.174 10.158 0.50 24.92 N ATOM 0 H AARG A 0 30.023 28.808 12.427 0.50 13.22 H new ATOM 0 H BARG A 0 30.128 28.780 12.585 0.50 13.22 H new ATOM 0 HA AARG A 0 27.723 28.042 11.337 0.50 13.48 H new ATOM 0 HA BARG A 0 27.979 28.256 11.150 0.50 13.48 H new ATOM 0 HB2AARG A 0 29.945 29.424 10.209 0.50 12.40 H new ATOM 0 HB2BARG A 0 30.568 29.290 10.389 0.50 12.40 H new ATOM 0 HB3AARG A 0 28.878 28.837 9.234 0.50 12.40 H new ATOM 0 HB3BARG A 0 29.421 29.158 9.341 0.50 12.40 H new ATOM 0 HG2AARG A 0 28.104 30.679 11.213 0.50 15.69 H new ATOM 0 HG2BARG A 0 28.223 30.622 11.067 0.50 15.69 H new ATOM 0 HG3AARG A 0 28.650 31.192 9.845 0.50 15.69 H new ATOM 0 HG3BARG A 0 29.689 31.089 11.324 0.50 15.69 H new ATOM 0 HD2AARG A 0 26.782 29.776 8.903 0.50 17.45 H new ATOM 0 HD2BARG A 0 29.908 31.760 9.077 0.50 17.45 H new ATOM 0 HD3AARG A 0 26.168 29.969 10.324 0.50 17.45 H new ATOM 0 HD3BARG A 0 28.492 31.199 8.746 0.50 17.45 H new ATOM 0 HE AARG A 0 26.662 32.382 9.584 0.50 20.00 H new ATOM 0 HE BARG A 0 27.590 32.928 9.989 0.50 20.00 H new ATOM 0 HH11AARG A 0 24.807 30.055 8.149 0.50 24.85 H new ATOM 0 HH11BARG A 0 30.783 33.322 9.284 0.50 24.85 H new ATOM 0 HH12AARG A 0 23.892 30.990 7.438 0.50 24.85 H new ATOM 0 HH12BARG A 0 30.837 34.788 9.544 0.50 24.85 H new ATOM 0 HH21AARG A 0 25.280 33.788 8.468 0.50 24.92 H new ATOM 0 HH21BARG A 0 27.647 35.167 10.337 0.50 24.92 H new ATOM 0 HH22AARG A 0 24.177 33.239 7.631 0.50 24.92 H new ATOM 0 HH22BARG A 0 28.928 35.912 10.186 0.50 24.92 H new ATOM 82 N MET A 1 29.871 25.951 11.290 1.00 11.85 N ATOM 83 CA MET A 1 30.222 24.585 10.843 1.00 11.48 C ATOM 84 C MET A 1 28.992 23.712 10.641 1.00 10.61 C ATOM 85 O MET A 1 27.919 24.080 11.131 1.00 11.69 O ATOM 86 CB MET A 1 31.174 23.905 11.820 1.00 10.50 C ATOM 87 CG MET A 1 32.573 24.527 11.782 1.00 10.50 C ATOM 88 SD MET A 1 33.617 23.689 12.926 1.00 10.71 S ATOM 89 CE MET A 1 35.180 24.566 12.629 1.00 12.15 C ATOM 0 H AMET A 1 30.213 26.182 12.044 0.50 11.85 H new ATOM 0 H BMET A 1 30.090 26.114 12.106 0.50 11.85 H new ATOM 0 HA MET A 1 30.667 24.687 9.987 1.00 11.48 H new ATOM 0 HB2 MET A 1 30.816 23.971 12.719 1.00 10.50 H new ATOM 0 HB3 MET A 1 31.235 22.961 11.607 1.00 10.50 H new ATOM 0 HG2 MET A 1 32.941 24.465 10.887 1.00 10.50 H new ATOM 0 HG3 MET A 1 32.525 25.470 12.004 1.00 10.50 H new ATOM 0 HE1 MET A 1 35.870 24.202 13.206 1.00 12.15 H new ATOM 0 HE2 MET A 1 35.442 24.455 11.702 1.00 12.15 H new ATOM 0 HE3 MET A 1 35.063 25.510 12.821 1.00 12.15 H new ATOM 90 N ILE A 2 29.143 22.546 10.026 1.00 11.08 N ATOM 91 CA ILE A 2 28.136 21.522 10.019 1.00 10.17 C ATOM 92 C ILE A 2 27.941 21.107 11.480 1.00 9.11 C ATOM 93 O ILE A 2 28.906 20.672 12.119 1.00 10.29 O ATOM 94 CB ILE A 2 28.598 20.310 9.218 1.00 11.71 C ATOM 95 CG1 ILE A 2 28.754 20.699 7.742 1.00 13.23 C ATOM 96 CG2 ILE A 2 27.556 19.164 9.304 1.00 12.24 C ATOM 97 CD1 ILE A 2 29.565 19.658 6.954 1.00 17.35 C ATOM 0 H ILE A 2 29.855 22.332 9.593 1.00 11.08 H new ATOM 0 HA ILE A 2 27.318 21.851 9.615 1.00 10.17 H new ATOM 0 HB ILE A 2 29.443 20.010 9.587 1.00 11.71 H new ATOM 0 HG12 ILE A 2 27.877 20.796 7.340 1.00 13.23 H new ATOM 0 HG13 ILE A 2 29.192 21.563 7.681 1.00 13.23 H new ATOM 0 HG21 ILE A 2 27.868 18.404 8.789 1.00 12.24 H new ATOM 0 HG22 ILE A 2 27.440 18.901 10.230 1.00 12.24 H new ATOM 0 HG23 ILE A 2 26.708 19.470 8.947 1.00 12.24 H new ATOM 0 HD11 ILE A 2 29.641 19.939 6.029 1.00 17.35 H new ATOM 0 HD12 ILE A 2 30.451 19.577 7.341 1.00 17.35 H new ATOM 0 HD13 ILE A 2 29.116 18.799 6.994 1.00 17.35 H new ATOM 98 N ARG A 3 26.732 21.210 11.996 1.00 9.37 N ATOM 99 CA ARG A 3 26.441 20.883 13.401 1.00 9.30 C ATOM 100 C ARG A 3 25.258 19.969 13.460 1.00 9.95 C ATOM 101 O ARG A 3 24.220 20.187 12.769 1.00 12.77 O ATOM 102 CB ARG A 3 26.231 22.171 14.226 1.00 8.85 C ATOM 103 CG ARG A 3 27.556 22.931 14.440 1.00 10.01 C ATOM 104 CD ARG A 3 27.319 24.340 14.839 1.00 9.09 C ATOM 105 NE ARG A 3 26.727 24.357 16.195 1.00 9.52 N ATOM 106 CZ ARG A 3 26.320 25.475 16.770 1.00 9.06 C ATOM 107 NH1 ARG A 3 26.369 26.660 16.137 1.00 10.17 N ATOM 108 NH2 ARG A 3 25.835 25.389 18.015 1.00 9.33 N ATOM 0 H ARG A 3 26.046 21.472 11.549 1.00 9.37 H new ATOM 0 HA ARG A 3 27.197 20.421 13.796 1.00 9.30 H new ATOM 0 HB2 ARG A 3 25.596 22.747 13.772 1.00 8.85 H new ATOM 0 HB3 ARG A 3 25.844 21.945 15.086 1.00 8.85 H new ATOM 0 HG2 ARG A 3 28.079 22.484 15.123 1.00 10.01 H new ATOM 0 HG3 ARG A 3 28.078 22.909 13.623 1.00 10.01 H new ATOM 0 HD2 ARG A 3 28.152 24.837 14.830 1.00 9.09 H new ATOM 0 HD3 ARG A 3 26.724 24.773 14.207 1.00 9.09 H new ATOM 0 HE ARG A 3 26.645 23.615 16.623 1.00 9.52 H new ATOM 0 HH11 ARG A 3 26.672 26.706 15.333 1.00 10.17 H new ATOM 0 HH12 ARG A 3 26.097 27.372 16.536 1.00 10.17 H new ATOM 0 HH21 ARG A 3 25.797 24.626 18.410 1.00 9.33 H new ATOM 0 HH22 ARG A 3 25.561 26.097 18.420 1.00 9.33 H new ATOM 109 N ILE A 4 25.402 18.931 14.259 1.00 8.34 N ATOM 110 CA ILE A 4 24.317 17.974 14.494 1.00 8.52 C ATOM 111 C ILE A 4 24.083 17.902 15.989 1.00 8.91 C ATOM 112 O ILE A 4 25.023 17.646 16.738 1.00 9.44 O ATOM 113 CB ILE A 4 24.563 16.582 13.925 1.00 9.95 C ATOM 114 CG1 ILE A 4 25.081 16.704 12.479 1.00 12.54 C ATOM 115 CG2 ILE A 4 23.272 15.715 14.024 1.00 11.43 C ATOM 116 CD1 ILE A 4 25.347 15.405 11.738 1.00 17.02 C ATOM 0 H ILE A 4 26.128 18.753 14.685 1.00 8.34 H new ATOM 0 HA ILE A 4 23.535 18.297 14.020 1.00 8.52 H new ATOM 0 HB ILE A 4 25.243 16.128 14.447 1.00 9.95 H new ATOM 0 HG12 ILE A 4 24.435 17.217 11.968 1.00 12.54 H new ATOM 0 HG13 ILE A 4 25.904 17.218 12.494 1.00 12.54 H new ATOM 0 HG21 ILE A 4 23.445 14.833 13.658 1.00 11.43 H new ATOM 0 HG22 ILE A 4 23.008 15.633 14.954 1.00 11.43 H new ATOM 0 HG23 ILE A 4 22.558 16.138 13.522 1.00 11.43 H new ATOM 0 HD11 ILE A 4 25.667 15.602 10.844 1.00 17.02 H new ATOM 0 HD12 ILE A 4 26.017 14.891 12.215 1.00 17.02 H new ATOM 0 HD13 ILE A 4 24.526 14.891 11.681 1.00 17.02 H new ATOM 117 N ALEU A 5 22.829 18.102 16.400 0.50 8.40 N ATOM 118 N BLEU A 5 22.868 18.224 16.423 0.50 8.48 N ATOM 119 CA ALEU A 5 22.396 18.148 17.798 0.50 8.25 C ATOM 120 CA BLEU A 5 22.506 18.120 17.828 0.50 8.31 C ATOM 121 C ALEU A 5 21.622 16.888 18.104 0.50 9.00 C ATOM 122 C BLEU A 5 21.779 16.784 18.032 0.50 8.68 C ATOM 123 O ALEU A 5 20.667 16.591 17.372 0.50 8.10 O ATOM 124 O BLEU A 5 21.110 16.258 17.131 0.50 7.71 O ATOM 125 CB ALEU A 5 21.419 19.296 17.960 0.50 9.43 C ATOM 126 CB BLEU A 5 21.699 19.353 18.275 0.50 10.36 C ATOM 127 CG ALEU A 5 20.953 19.439 19.392 0.50 9.35 C ATOM 128 CG BLEU A 5 21.399 19.482 19.788 0.50 8.78 C ATOM 129 CD1ALEU A 5 22.103 19.977 20.197 0.50 7.08 C ATOM 130 CD1BLEU A 5 21.828 20.845 20.244 0.50 11.75 C ATOM 131 CD2ALEU A 5 19.883 20.484 19.340 0.50 13.41 C ATOM 132 CD2BLEU A 5 19.928 19.209 20.121 0.50 12.47 C ATOM 0 H ALEU A 5 22.180 18.219 15.848 0.50 8.48 H new ATOM 0 H BLEU A 5 22.236 18.507 15.913 0.50 8.48 H new ATOM 0 HA ALEU A 5 23.168 18.245 18.377 0.50 8.31 H new ATOM 0 HA BLEU A 5 23.291 18.118 18.397 0.50 8.31 H new ATOM 0 HB2ALEU A 5 21.839 20.122 17.673 0.50 10.36 H new ATOM 0 HB2BLEU A 5 22.180 20.147 17.994 0.50 10.36 H new ATOM 0 HB3ALEU A 5 20.652 19.152 17.383 0.50 10.36 H new ATOM 0 HB3BLEU A 5 20.854 19.350 17.799 0.50 10.36 H new ATOM 0 HG ALEU A 5 20.643 18.605 19.779 0.50 8.78 H new ATOM 0 HG BLEU A 5 21.902 18.804 20.266 0.50 8.78 H new ATOM 0 HD11ALEU A 5 21.831 20.079 21.122 0.50 11.75 H new ATOM 0 HD11BLEU A 5 21.646 20.941 21.192 0.50 11.75 H new ATOM 0 HD12ALEU A 5 22.850 19.361 20.146 0.50 11.75 H new ATOM 0 HD12BLEU A 5 22.778 20.955 20.085 0.50 11.75 H new ATOM 0 HD13ALEU A 5 22.371 20.839 19.843 0.50 11.75 H new ATOM 0 HD13BLEU A 5 21.337 21.521 19.751 0.50 11.75 H new ATOM 0 HD21ALEU A 5 19.532 20.632 20.232 0.50 12.47 H new ATOM 0 HD21BLEU A 5 19.790 19.301 21.077 0.50 12.47 H new ATOM 0 HD22ALEU A 5 20.255 21.312 18.998 0.50 12.47 H new ATOM 0 HD22BLEU A 5 19.366 19.845 19.650 0.50 12.47 H new ATOM 0 HD23ALEU A 5 19.168 20.186 18.756 0.50 12.47 H new ATOM 0 HD23BLEU A 5 19.696 18.308 19.847 0.50 12.47 H new ATOM 133 N TYR A 6 21.924 16.213 19.208 1.00 8.74 N ATOM 134 CA TYR A 6 21.284 14.937 19.506 1.00 9.23 C ATOM 135 C TYR A 6 20.566 15.009 20.858 1.00 9.67 C ATOM 136 O TYR A 6 21.136 15.459 21.874 1.00 10.82 O ATOM 137 CB TYR A 6 22.354 13.839 19.626 1.00 10.77 C ATOM 138 CG TYR A 6 23.130 13.622 18.368 1.00 13.66 C ATOM 139 CD1 TYR A 6 22.721 12.618 17.502 1.00 17.26 C ATOM 140 CD2 TYR A 6 24.237 14.420 18.050 1.00 14.92 C ATOM 141 CE1 TYR A 6 23.419 12.379 16.308 1.00 19.96 C ATOM 142 CE2 TYR A 6 24.946 14.173 16.802 1.00 16.57 C ATOM 143 CZ TYR A 6 24.511 13.172 16.007 1.00 18.25 C ATOM 144 OH TYR A 6 25.169 12.953 14.799 1.00 26.52 O ATOM 0 H ATYR A 6 22.495 16.475 19.796 0.50 8.74 H new ATOM 0 H BTYR A 6 22.388 16.542 19.853 0.50 8.74 H new ATOM 0 HA TYR A 6 20.656 14.741 18.793 1.00 9.23 H new ATOM 0 HB2 TYR A 6 22.968 14.072 20.340 1.00 10.77 H new ATOM 0 HB3 TYR A 6 21.926 13.007 19.881 1.00 10.77 H new ATOM 0 HD1 TYR A 6 21.979 12.099 17.714 1.00 17.26 H new ATOM 0 HD2 TYR A 6 24.514 15.096 18.626 1.00 14.92 H new ATOM 0 HE1 TYR A 6 23.152 11.701 15.731 1.00 19.96 H new ATOM 0 HE2 TYR A 6 25.679 14.691 16.559 1.00 16.57 H new ATOM 0 HH TYR A 6 25.996 13.055 14.908 1.00 26.52 H new ATOM 145 N LEU A 7 19.317 14.507 20.855 1.00 9.03 N ATOM 146 CA LEU A 7 18.614 14.204 22.138 1.00 10.21 C ATOM 147 C LEU A 7 18.888 12.758 22.485 1.00 10.20 C ATOM 148 O LEU A 7 18.644 11.889 21.624 1.00 11.04 O ATOM 149 CB LEU A 7 17.122 14.447 21.973 1.00 10.67 C ATOM 150 CG LEU A 7 16.744 15.829 21.443 1.00 10.72 C ATOM 151 CD1 LEU A 7 15.185 15.877 21.368 1.00 13.42 C ATOM 152 CD2 LEU A 7 17.298 17.010 22.262 1.00 13.97 C ATOM 0 H LEU A 7 18.863 14.336 20.145 1.00 9.03 H new ATOM 0 HA LEU A 7 18.933 14.778 22.852 1.00 10.21 H new ATOM 0 HB2 LEU A 7 16.764 13.776 21.371 1.00 10.67 H new ATOM 0 HB3 LEU A 7 16.690 14.316 22.832 1.00 10.67 H new ATOM 0 HG LEU A 7 17.155 15.941 20.571 1.00 10.72 H new ATOM 0 HD11 LEU A 7 14.903 16.743 21.034 1.00 13.42 H new ATOM 0 HD12 LEU A 7 14.868 15.182 20.770 1.00 13.42 H new ATOM 0 HD13 LEU A 7 14.814 15.736 22.253 1.00 13.42 H new ATOM 0 HD21 LEU A 7 17.013 17.845 21.859 1.00 13.97 H new ATOM 0 HD22 LEU A 7 16.963 16.959 23.171 1.00 13.97 H new ATOM 0 HD23 LEU A 7 18.267 16.971 22.272 1.00 13.97 H new ATOM 153 N ALEU A 8 19.414 12.506 23.694 0.50 9.22 N ATOM 154 N BLEU A 8 19.340 12.485 23.707 0.50 9.75 N ATOM 155 CA ALEU A 8 19.744 11.141 24.182 0.50 10.17 C ATOM 156 CA BLEU A 8 19.663 11.099 24.095 0.50 10.79 C ATOM 157 C ALEU A 8 18.732 10.741 25.251 0.50 10.48 C ATOM 158 C BLEU A 8 18.848 10.681 25.288 0.50 10.80 C ATOM 159 O ALEU A 8 18.412 11.533 26.141 0.50 10.87 O ATOM 160 O BLEU A 8 18.822 11.376 26.312 0.50 9.92 O ATOM 161 CB ALEU A 8 21.152 11.161 24.783 0.50 10.02 C ATOM 162 CB BLEU A 8 21.122 11.031 24.470 0.50 11.24 C ATOM 163 CG ALEU A 8 22.392 11.063 23.847 0.50 8.75 C ATOM 164 CG BLEU A 8 22.139 11.753 23.565 0.50 12.37 C ATOM 165 CD1ALEU A 8 22.448 12.320 22.993 0.50 12.88 C ATOM 166 CD1BLEU A 8 23.529 11.854 24.206 0.50 11.74 C ATOM 167 CD2ALEU A 8 23.668 10.933 24.555 0.50 9.19 C ATOM 168 CD2BLEU A 8 22.224 11.045 22.222 0.50 11.52 C ATOM 0 H ALEU A 8 19.593 13.125 24.263 0.50 9.75 H new ATOM 0 H BLEU A 8 19.467 13.073 24.322 0.50 9.75 H new ATOM 0 HA ALEU A 8 19.711 10.503 23.452 0.50 10.79 H new ATOM 0 HA BLEU A 8 19.465 10.510 23.350 0.50 10.79 H new ATOM 0 HB2ALEU A 8 21.238 11.982 25.293 0.50 11.24 H new ATOM 0 HB2BLEU A 8 21.215 11.390 25.366 0.50 11.24 H new ATOM 0 HB3ALEU A 8 21.208 10.427 25.415 0.50 11.24 H new ATOM 0 HB3BLEU A 8 21.374 10.095 24.512 0.50 11.24 H new ATOM 0 HG ALEU A 8 22.280 10.256 23.320 0.50 12.37 H new ATOM 0 HG BLEU A 8 21.823 12.661 23.437 0.50 12.37 H new ATOM 0 HD11ALEU A 8 23.216 12.276 22.402 0.50 11.74 H new ATOM 0 HD11BLEU A 8 24.132 12.314 23.601 0.50 11.74 H new ATOM 0 HD12ALEU A 8 21.638 12.389 22.464 0.50 11.74 H new ATOM 0 HD12BLEU A 8 23.467 12.349 25.038 0.50 11.74 H new ATOM 0 HD13ALEU A 8 22.526 13.098 23.567 0.50 11.74 H new ATOM 0 HD13BLEU A 8 23.869 10.963 24.385 0.50 11.74 H new ATOM 0 HD21ALEU A 8 24.391 10.878 23.911 0.50 11.52 H new ATOM 0 HD21BLEU A 8 22.865 11.502 21.655 0.50 11.52 H new ATOM 0 HD22ALEU A 8 23.802 11.706 25.125 0.50 11.52 H new ATOM 0 HD22BLEU A 8 22.509 10.128 22.357 0.50 11.52 H new ATOM 0 HD23ALEU A 8 23.657 10.129 25.098 0.50 11.52 H new ATOM 0 HD23BLEU A 8 21.353 11.053 21.796 0.50 11.52 H new ATOM 169 N VAL A 9 18.245 9.506 25.151 1.00 12.06 N ATOM 170 CA VAL A 9 17.470 8.921 26.266 1.00 13.46 C ATOM 171 C VAL A 9 18.271 7.679 26.721 1.00 14.31 C ATOM 172 O VAL A 9 18.714 6.879 25.915 1.00 13.17 O ATOM 173 CB VAL A 9 16.114 8.507 25.823 1.00 14.53 C ATOM 174 CG1 VAL A 9 15.266 8.038 27.033 1.00 17.56 C ATOM 175 CG2 VAL A 9 15.391 9.648 25.093 1.00 18.63 C ATOM 0 H AVAL A 9 18.344 8.994 24.467 0.50 12.06 H new ATOM 0 H BVAL A 9 18.265 9.029 24.435 0.50 12.06 H new ATOM 0 HA VAL A 9 17.348 9.567 26.979 1.00 13.46 H new ATOM 0 HB VAL A 9 16.222 7.768 25.203 1.00 14.53 H new ATOM 0 HG11 VAL A 9 14.385 7.772 26.727 1.00 17.56 H new ATOM 0 HG12 VAL A 9 15.701 7.284 27.460 1.00 17.56 H new ATOM 0 HG13 VAL A 9 15.181 8.765 27.670 1.00 17.56 H new ATOM 0 HG21 VAL A 9 14.511 9.349 24.816 1.00 18.63 H new ATOM 0 HG22 VAL A 9 15.301 10.408 25.689 1.00 18.63 H new ATOM 0 HG23 VAL A 9 15.904 9.909 24.312 1.00 18.63 H new ATOM 176 N LYS A 10 18.474 7.506 28.026 1.00 14.20 N ATOM 177 CA LYS A 10 19.236 6.345 28.515 1.00 14.09 C ATOM 178 C LYS A 10 18.434 5.048 28.340 1.00 13.82 C ATOM 179 O LYS A 10 17.204 5.103 28.242 1.00 13.19 O ATOM 180 CB LYS A 10 19.569 6.544 30.003 1.00 15.42 C ATOM 181 CG LYS A 10 18.482 6.206 30.969 1.00 15.96 C ATOM 182 CD LYS A 10 18.921 6.342 32.446 1.00 15.42 C ATOM 183 CE LYS A 10 17.695 6.179 33.332 1.00 15.63 C ATOM 184 NZ LYS A 10 17.029 4.853 33.165 1.00 15.27 N ATOM 0 H LYS A 10 18.187 8.036 28.639 1.00 14.20 H new ATOM 0 HA LYS A 10 20.053 6.273 27.997 1.00 14.09 H new ATOM 0 HB2 LYS A 10 20.346 6.005 30.217 1.00 15.42 H new ATOM 0 HB3 LYS A 10 19.821 7.471 30.138 1.00 15.42 H new ATOM 0 HG2 LYS A 10 17.722 6.786 30.808 1.00 15.96 H new ATOM 0 HG3 LYS A 10 18.184 5.297 30.808 1.00 15.96 H new ATOM 0 HD2 LYS A 10 19.585 5.670 32.663 1.00 15.42 H new ATOM 0 HD3 LYS A 10 19.333 7.207 32.597 1.00 15.42 H new ATOM 0 HE2 LYS A 10 17.955 6.290 34.260 1.00 15.63 H new ATOM 0 HE3 LYS A 10 17.059 6.883 33.129 1.00 15.63 H new ATOM 0 HZ1 LYS A 10 16.403 4.754 33.790 1.00 15.27 H new ATOM 0 HZ2 LYS A 10 16.653 4.809 32.360 1.00 15.27 H new ATOM 0 HZ3 LYS A 10 17.633 4.205 33.246 1.00 15.27 H new ATOM 185 N PRO A 11 19.151 3.920 28.300 1.00 13.77 N ATOM 186 CA PRO A 11 18.439 2.638 28.316 1.00 15.78 C ATOM 187 C PRO A 11 17.537 2.521 29.546 1.00 16.17 C ATOM 188 O PRO A 11 17.905 2.958 30.644 1.00 14.24 O ATOM 189 CB PRO A 11 19.578 1.607 28.309 1.00 16.32 C ATOM 190 CG PRO A 11 20.770 2.393 27.776 1.00 16.68 C ATOM 191 CD PRO A 11 20.598 3.733 28.371 1.00 16.20 C ATOM 0 HA PRO A 11 17.834 2.518 27.567 1.00 15.78 H new ATOM 0 HB2 PRO A 11 19.749 1.258 29.198 1.00 16.32 H new ATOM 0 HB3 PRO A 11 19.369 0.848 27.742 1.00 16.32 H new ATOM 0 HG2 PRO A 11 21.611 1.990 28.043 1.00 16.68 H new ATOM 0 HG3 PRO A 11 20.768 2.430 26.807 1.00 16.68 H new ATOM 0 HD2 PRO A 11 20.923 3.768 29.284 1.00 16.20 H new ATOM 0 HD3 PRO A 11 21.076 4.414 27.873 1.00 16.20 H new ATOM 192 N GLU A 12 16.358 1.980 29.349 1.00 16.58 N ATOM 193 CA GLU A 12 15.355 1.922 30.400 1.00 18.84 C ATOM 194 C GLU A 12 15.905 1.311 31.684 1.00 19.58 C ATOM 195 O GLU A 12 15.563 1.782 32.794 1.00 22.02 O ATOM 196 CB GLU A 12 14.192 1.037 29.905 1.00 20.09 C ATOM 197 CG GLU A 12 13.127 0.676 30.987 1.00 25.94 C ATOM 198 CD GLU A 12 12.316 1.906 31.457 1.00 34.24 C ATOM 199 OE1 GLU A 12 12.411 2.993 30.818 1.00 37.03 O ATOM 200 OE2 GLU A 12 11.564 1.784 32.460 1.00 38.95 O ATOM 0 H GLU A 12 16.109 1.633 28.603 1.00 16.58 H new ATOM 0 HA GLU A 12 15.067 2.828 30.595 1.00 18.84 H new ATOM 0 HB2 GLU A 12 13.747 1.492 29.173 1.00 20.09 H new ATOM 0 HB3 GLU A 12 14.560 0.214 29.546 1.00 20.09 H new ATOM 0 HG2 GLU A 12 12.520 0.010 30.628 1.00 25.94 H new ATOM 0 HG3 GLU A 12 13.570 0.274 31.751 1.00 25.94 H new ATOM 201 N SER A 13 16.753 0.296 31.521 1.00 18.97 N ATOM 202 CA ASER A 13 17.228 -0.411 32.688 0.50 19.49 C ATOM 203 CA BSER A 13 17.325 -0.512 32.579 0.50 19.81 C ATOM 204 C SER A 13 18.533 0.116 33.258 1.00 19.75 C ATOM 205 O SER A 13 18.935 -0.311 34.315 1.00 20.10 O ATOM 206 CB ASER A 13 17.360 -1.908 32.394 0.50 19.43 C ATOM 207 CB BSER A 13 17.749 -1.872 31.984 0.50 19.98 C ATOM 208 OG ASER A 13 18.595 -2.201 31.733 0.50 19.30 O ATOM 209 OG BSER A 13 18.658 -1.706 30.892 0.50 20.42 O ATOM 0 H ASER A 13 17.053 0.014 30.766 0.50 18.97 H new ATOM 0 H BSER A 13 17.021 0.052 30.741 0.50 18.97 H new ATOM 0 HA ASER A 13 16.555 -0.257 33.369 0.50 19.81 H new ATOM 0 HA BSER A 13 16.640 -0.603 33.260 0.50 19.81 H new ATOM 0 HB2ASER A 13 17.308 -2.408 33.223 0.50 19.98 H new ATOM 0 HB2BSER A 13 18.165 -2.413 32.674 0.50 19.98 H new ATOM 0 HB3ASER A 13 16.618 -2.198 31.841 0.50 19.98 H new ATOM 0 HB3BSER A 13 16.963 -2.353 31.682 0.50 19.98 H new ATOM 0 HG ASER A 13 19.202 -2.300 32.305 0.50 20.42 H new ATOM 0 HG BSER A 13 18.258 -1.858 30.169 0.50 20.42 H new ATOM 210 N MET A 14 19.199 1.062 32.593 1.00 15.49 N ATOM 211 CA MET A 14 20.458 1.600 33.100 1.00 14.30 C ATOM 212 C MET A 14 20.158 2.656 34.159 1.00 11.80 C ATOM 213 O MET A 14 19.278 3.491 33.985 1.00 13.44 O ATOM 214 CB MET A 14 21.248 2.251 31.954 1.00 12.73 C ATOM 215 CG MET A 14 22.621 2.730 32.387 1.00 12.16 C ATOM 216 SD MET A 14 23.631 3.351 31.010 1.00 14.55 S ATOM 217 CE MET A 14 24.070 1.731 30.361 1.00 14.01 C ATOM 0 H MET A 14 18.938 1.404 31.848 1.00 15.49 H new ATOM 0 HA MET A 14 20.983 0.880 33.484 1.00 14.30 H new ATOM 0 HB2 MET A 14 21.346 1.613 31.230 1.00 12.73 H new ATOM 0 HB3 MET A 14 20.743 3.002 31.604 1.00 12.73 H new ATOM 0 HG2 MET A 14 22.518 3.433 33.047 1.00 12.16 H new ATOM 0 HG3 MET A 14 23.090 2.000 32.820 1.00 12.16 H new ATOM 0 HE1 MET A 14 25.034 1.667 30.274 1.00 14.01 H new ATOM 0 HE2 MET A 14 23.755 1.043 30.968 1.00 14.01 H new ATOM 0 HE3 MET A 14 23.658 1.608 29.491 1.00 14.01 H new ATOM 218 N SER A 15 20.919 2.637 35.265 1.00 11.73 N ATOM 219 CA SER A 15 20.695 3.655 36.264 1.00 11.59 C ATOM 220 C SER A 15 21.148 5.042 35.773 1.00 11.55 C ATOM 221 O SER A 15 22.010 5.150 34.915 1.00 11.10 O ATOM 222 CB SER A 15 21.437 3.366 37.556 1.00 12.61 C ATOM 223 OG SER A 15 22.842 3.370 37.369 1.00 14.02 O ATOM 0 H SER A 15 21.538 2.066 35.439 1.00 11.73 H new ATOM 0 HA SER A 15 19.739 3.649 36.427 1.00 11.59 H new ATOM 0 HB2 SER A 15 21.198 4.030 38.222 1.00 12.61 H new ATOM 0 HB3 SER A 15 21.159 2.504 37.902 1.00 12.61 H new ATOM 0 HG SER A 15 23.069 2.689 36.933 1.00 14.02 H new ATOM 224 N HIS A 16 20.574 6.071 36.340 1.00 10.79 N ATOM 225 CA HIS A 16 21.082 7.416 36.078 1.00 11.45 C ATOM 226 C HIS A 16 22.538 7.586 36.431 1.00 13.12 C ATOM 227 O HIS A 16 23.312 8.228 35.669 1.00 14.17 O ATOM 228 CB HIS A 16 20.225 8.445 36.828 1.00 12.35 C ATOM 229 CG HIS A 16 18.941 8.733 36.127 1.00 18.06 C ATOM 230 ND1 HIS A 16 17.702 8.310 36.564 1.00 23.07 N ATOM 231 CD2 HIS A 16 18.725 9.359 34.938 1.00 18.91 C ATOM 232 CE1 HIS A 16 16.774 8.711 35.693 1.00 20.58 C ATOM 233 NE2 HIS A 16 17.381 9.319 34.684 1.00 24.77 N ATOM 0 H HIS A 16 19.900 6.029 36.873 1.00 10.79 H new ATOM 0 HA HIS A 16 21.019 7.562 35.121 1.00 11.45 H new ATOM 0 HB2 HIS A 16 20.037 8.116 37.721 1.00 12.35 H new ATOM 0 HB3 HIS A 16 20.727 9.269 36.929 1.00 12.35 H new ATOM 0 HD2 HIS A 16 19.374 9.745 34.395 1.00 18.91 H new ATOM 0 HE1 HIS A 16 15.857 8.585 35.779 1.00 20.58 H new ATOM 0 HE2 HIS A 16 16.994 9.636 33.985 1.00 24.77 H new ATOM 234 N GLU A 17 22.967 6.950 37.507 1.00 13.92 N ATOM 235 CA GLU A 17 24.356 7.011 37.990 1.00 15.17 C ATOM 236 C GLU A 17 25.280 6.463 36.897 1.00 13.23 C ATOM 237 O GLU A 17 26.312 7.057 36.569 1.00 14.81 O ATOM 238 CB GLU A 17 24.507 6.230 39.358 1.00 16.09 C ATOM 239 CG GLU A 17 25.958 6.076 39.900 1.00 21.33 C ATOM 240 CD GLU A 17 26.057 5.053 41.100 1.00 24.59 C ATOM 241 OE1 GLU A 17 25.186 5.077 42.017 1.00 32.45 O ATOM 242 OE2 GLU A 17 26.976 4.204 41.082 1.00 18.20 O ATOM 0 H GLU A 17 22.456 6.458 37.994 1.00 13.92 H new ATOM 0 HA GLU A 17 24.609 7.930 38.172 1.00 15.17 H new ATOM 0 HB2 GLU A 17 23.976 6.686 40.030 1.00 16.09 H new ATOM 0 HB3 GLU A 17 24.126 5.345 39.248 1.00 16.09 H new ATOM 0 HG2 GLU A 17 26.538 5.782 39.181 1.00 21.33 H new ATOM 0 HG3 GLU A 17 26.284 6.942 40.191 1.00 21.33 H new ATOM 243 N GLN A 18 24.881 5.345 36.327 1.00 12.69 N ATOM 244 CA GLN A 18 25.734 4.725 35.327 1.00 12.87 C ATOM 245 C GLN A 18 25.692 5.547 34.040 1.00 11.75 C ATOM 246 O GLN A 18 26.760 5.819 33.469 1.00 13.54 O ATOM 247 CB GLN A 18 25.376 3.264 35.041 1.00 11.82 C ATOM 248 CG GLN A 18 26.324 2.742 33.967 1.00 15.18 C ATOM 249 CD GLN A 18 26.180 1.323 33.612 1.00 16.04 C ATOM 250 OE1 GLN A 18 25.224 0.651 34.005 1.00 19.42 O ATOM 251 NE2 GLN A 18 27.145 0.835 32.833 1.00 15.33 N ATOM 0 H GLN A 18 24.143 4.936 36.495 1.00 12.69 H new ATOM 0 HA GLN A 18 26.634 4.714 35.689 1.00 12.87 H new ATOM 0 HB2 GLN A 18 25.454 2.732 35.849 1.00 11.82 H new ATOM 0 HB3 GLN A 18 24.456 3.193 34.743 1.00 11.82 H new ATOM 0 HG2 GLN A 18 26.198 3.272 33.164 1.00 15.18 H new ATOM 0 HG3 GLN A 18 27.235 2.891 34.265 1.00 15.18 H new ATOM 0 HE21 GLN A 18 27.793 1.342 32.583 1.00 15.33 H new ATOM 0 HE22 GLN A 18 27.119 0.013 32.580 1.00 15.33 H new ATOM 252 N PHE A 19 24.500 5.948 33.613 1.00 11.34 N ATOM 253 CA PHE A 19 24.385 6.784 32.393 1.00 11.50 C ATOM 254 C PHE A 19 25.290 8.012 32.472 1.00 12.25 C ATOM 255 O PHE A 19 25.972 8.333 31.462 1.00 11.26 O ATOM 256 CB PHE A 19 22.937 7.212 32.225 1.00 10.64 C ATOM 257 CG PHE A 19 22.713 8.035 30.973 1.00 10.38 C ATOM 258 CD1 PHE A 19 22.781 7.449 29.736 1.00 10.91 C ATOM 259 CD2 PHE A 19 22.424 9.407 31.112 1.00 10.52 C ATOM 260 CE1 PHE A 19 22.535 8.221 28.583 1.00 11.26 C ATOM 261 CE2 PHE A 19 22.231 10.183 29.986 1.00 12.12 C ATOM 262 CZ PHE A 19 22.237 9.586 28.732 1.00 11.96 C ATOM 0 H PHE A 19 23.754 5.759 33.997 1.00 11.34 H new ATOM 0 HA PHE A 19 24.669 6.260 31.627 1.00 11.50 H new ATOM 0 HB2 PHE A 19 22.372 6.424 32.195 1.00 10.64 H new ATOM 0 HB3 PHE A 19 22.664 7.728 33.000 1.00 10.64 H new ATOM 0 HD1 PHE A 19 22.989 6.546 29.658 1.00 10.91 H new ATOM 0 HD2 PHE A 19 22.363 9.788 31.958 1.00 10.52 H new ATOM 0 HE1 PHE A 19 22.569 7.834 27.738 1.00 11.26 H new ATOM 0 HE2 PHE A 19 22.098 11.100 30.067 1.00 12.12 H new ATOM 0 HZ PHE A 19 22.041 10.097 27.980 1.00 11.96 H new ATOM 263 N ARG A 20 25.366 8.694 33.602 1.00 12.04 N ATOM 264 CA AARG A 20 26.229 9.856 33.669 0.50 13.47 C ATOM 265 CA BARG A 20 26.262 9.849 33.733 0.50 13.57 C ATOM 266 C ARG A 20 27.694 9.454 33.439 1.00 13.96 C ATOM 267 O ARG A 20 28.439 10.121 32.705 1.00 13.64 O ATOM 268 CB AARG A 20 26.021 10.568 35.010 0.50 13.41 C ATOM 269 CB BARG A 20 26.183 10.408 35.162 0.50 13.50 C ATOM 270 CG AARG A 20 26.853 11.825 35.158 0.50 17.06 C ATOM 271 CG BARG A 20 27.191 11.535 35.458 0.50 17.28 C ATOM 272 CD AARG A 20 26.903 12.261 36.612 0.50 17.82 C ATOM 273 CD BARG A 20 27.125 11.978 36.928 0.50 19.66 C ATOM 274 NE AARG A 20 27.181 13.680 36.742 0.50 19.98 N ATOM 275 NE BARG A 20 25.915 12.737 37.280 0.50 23.19 N ATOM 276 CZ AARG A 20 28.383 14.214 36.611 0.50 22.08 C ATOM 277 CZ BARG A 20 25.828 14.076 37.302 0.50 23.74 C ATOM 278 NH1AARG A 20 29.418 13.439 36.317 0.50 23.80 N ATOM 279 NH1BARG A 20 26.877 14.817 36.982 0.50 23.39 N ATOM 280 NH2AARG A 20 28.544 15.523 36.736 0.50 22.36 N ATOM 281 NH2BARG A 20 24.697 14.675 37.648 0.50 22.31 N ATOM 0 H AARG A 20 24.938 8.507 34.324 0.50 12.04 H new ATOM 0 H BARG A 20 24.911 8.511 34.309 0.50 12.04 H new ATOM 0 HA AARG A 20 25.998 10.479 32.962 0.50 13.57 H new ATOM 0 HA BARG A 20 25.982 10.524 33.095 0.50 13.57 H new ATOM 0 HB2AARG A 20 25.083 10.796 35.106 0.50 13.50 H new ATOM 0 HB2BARG A 20 25.286 10.742 35.319 0.50 13.50 H new ATOM 0 HB3AARG A 20 26.239 9.957 35.731 0.50 13.50 H new ATOM 0 HB3BARG A 20 26.330 9.684 35.790 0.50 13.50 H new ATOM 0 HG2AARG A 20 27.752 11.665 34.832 0.50 17.28 H new ATOM 0 HG2BARG A 20 28.088 11.231 35.251 0.50 17.28 H new ATOM 0 HG3AARG A 20 26.476 12.535 34.615 0.50 17.28 H new ATOM 0 HG3BARG A 20 27.008 12.294 34.882 0.50 17.28 H new ATOM 0 HD2AARG A 20 26.057 12.057 37.040 0.50 19.66 H new ATOM 0 HD2BARG A 20 27.177 11.192 37.494 0.50 19.66 H new ATOM 0 HD3AARG A 20 27.586 11.754 37.078 0.50 19.66 H new ATOM 0 HD3BARG A 20 27.904 12.522 37.126 0.50 19.66 H new ATOM 0 HE AARG A 20 26.523 14.206 36.915 0.50 23.19 H new ATOM 0 HE BARG A 20 25.211 12.289 37.487 0.50 23.19 H new ATOM 0 HH11AARG A 20 29.306 12.593 36.212 0.50 23.39 H new ATOM 0 HH11BARG A 20 27.617 14.441 36.759 0.50 23.39 H new ATOM 0 HH12AARG A 20 30.202 13.783 36.231 0.50 23.39 H new ATOM 0 HH12BARG A 20 26.818 15.675 36.997 0.50 23.39 H new ATOM 0 HH21AARG A 20 27.866 16.026 36.902 0.50 22.31 H new ATOM 0 HH21BARG A 20 24.009 14.205 37.861 0.50 22.31 H new ATOM 0 HH22AARG A 20 29.326 15.870 36.651 0.50 22.31 H new ATOM 0 HH22BARG A 20 24.651 15.534 37.659 0.50 22.31 H new ATOM 282 N LYS A 21 28.122 8.355 34.049 1.00 13.04 N ATOM 283 CA LYS A 21 29.463 7.883 33.853 1.00 13.51 C ATOM 284 C LYS A 21 29.731 7.540 32.400 1.00 12.45 C ATOM 285 O LYS A 21 30.809 7.877 31.875 1.00 13.35 O ATOM 286 CB LYS A 21 29.709 6.638 34.726 1.00 15.28 C ATOM 287 CG LYS A 21 29.814 6.960 36.230 1.00 18.73 C ATOM 288 CD LYS A 21 30.337 5.663 36.966 1.00 24.73 C ATOM 289 CE LYS A 21 30.494 5.899 38.438 1.00 32.53 C ATOM 290 NZ LYS A 21 29.529 5.017 39.112 1.00 37.56 N ATOM 0 H LYS A 21 27.644 7.875 34.579 1.00 13.04 H new ATOM 0 HA LYS A 21 30.068 8.596 34.110 1.00 13.51 H new ATOM 0 HB2 LYS A 21 28.987 6.005 34.587 1.00 15.28 H new ATOM 0 HB3 LYS A 21 30.527 6.204 34.437 1.00 15.28 H new ATOM 0 HG2 LYS A 21 30.421 7.702 36.377 1.00 18.73 H new ATOM 0 HG3 LYS A 21 28.950 7.226 36.582 1.00 18.73 H new ATOM 0 HD2 LYS A 21 29.717 4.932 36.818 1.00 24.73 H new ATOM 0 HD3 LYS A 21 31.188 5.394 36.587 1.00 24.73 H new ATOM 0 HE2 LYS A 21 31.400 5.701 38.724 1.00 32.53 H new ATOM 0 HE3 LYS A 21 30.324 6.828 38.658 1.00 32.53 H new ATOM 0 HZ1 LYS A 21 29.591 5.127 39.993 1.00 37.56 H new ATOM 0 HZ2 LYS A 21 28.705 5.220 38.845 1.00 37.56 H new ATOM 0 HZ3 LYS A 21 29.707 4.170 38.906 1.00 37.56 H new ATOM 291 N GLU A 22 28.756 6.941 31.727 1.00 12.60 N ATOM 292 CA GLU A 22 28.924 6.523 30.307 1.00 13.12 C ATOM 293 C GLU A 22 28.954 7.778 29.394 1.00 12.67 C ATOM 294 O GLU A 22 29.651 7.763 28.394 1.00 12.73 O ATOM 295 CB GLU A 22 27.883 5.533 29.833 1.00 13.72 C ATOM 296 CG GLU A 22 27.854 4.218 30.618 1.00 15.19 C ATOM 297 CD GLU A 22 29.165 3.410 30.513 1.00 21.27 C ATOM 298 OE1 GLU A 22 30.008 3.564 29.590 1.00 20.30 O ATOM 299 OE2 GLU A 22 29.361 2.539 31.407 1.00 21.37 O ATOM 0 H GLU A 22 27.984 6.761 32.060 1.00 12.60 H new ATOM 0 HA GLU A 22 29.770 6.052 30.251 1.00 13.12 H new ATOM 0 HB2 GLU A 22 27.008 5.949 29.888 1.00 13.72 H new ATOM 0 HB3 GLU A 22 28.044 5.335 28.897 1.00 13.72 H new ATOM 0 HG2 GLU A 22 27.675 4.411 31.552 1.00 15.19 H new ATOM 0 HG3 GLU A 22 27.120 3.673 30.295 1.00 15.19 H new ATOM 300 N CYS A 23 28.254 8.837 29.777 1.00 11.62 N ATOM 301 CA CYS A 23 28.365 10.097 28.987 1.00 11.67 C ATOM 302 C CYS A 23 29.778 10.621 29.041 1.00 12.25 C ATOM 303 O CYS A 23 30.296 11.062 28.009 1.00 11.32 O ATOM 304 CB CYS A 23 27.388 11.148 29.560 1.00 11.04 C ATOM 305 SG CYS A 23 25.680 10.943 29.178 1.00 11.59 S ATOM 0 H CYS A 23 27.728 8.867 30.456 1.00 11.62 H new ATOM 0 HA CYS A 23 28.137 9.916 28.062 1.00 11.67 H new ATOM 0 HB2 CYS A 23 27.483 11.153 30.525 1.00 11.04 H new ATOM 0 HB3 CYS A 23 27.665 12.022 29.243 1.00 11.04 H new ATOM 0 HG CYS A 23 25.047 11.825 29.688 1.00 11.59 H new ATOM 306 N VAL A 24 30.419 10.620 30.216 1.00 12.44 N ATOM 307 CA VAL A 24 31.801 11.049 30.392 1.00 12.81 C ATOM 308 C VAL A 24 32.725 10.163 29.587 1.00 13.06 C ATOM 309 O VAL A 24 33.600 10.695 28.869 1.00 14.45 O ATOM 310 CB VAL A 24 32.211 11.099 31.873 1.00 14.50 C ATOM 311 CG1 VAL A 24 33.670 11.386 32.026 1.00 16.86 C ATOM 312 CG2 VAL A 24 31.364 12.155 32.615 1.00 15.74 C ATOM 0 H VAL A 24 30.048 10.362 30.948 1.00 12.44 H new ATOM 0 HA VAL A 24 31.876 11.957 30.060 1.00 12.81 H new ATOM 0 HB VAL A 24 32.045 10.228 32.266 1.00 14.50 H new ATOM 0 HG11 VAL A 24 33.898 11.411 32.969 1.00 16.86 H new ATOM 0 HG12 VAL A 24 34.185 10.690 31.588 1.00 16.86 H new ATOM 0 HG13 VAL A 24 33.876 12.243 31.621 1.00 16.86 H new ATOM 0 HG21 VAL A 24 31.626 12.183 33.548 1.00 15.74 H new ATOM 0 HG22 VAL A 24 31.508 13.026 32.213 1.00 15.74 H new ATOM 0 HG23 VAL A 24 30.425 11.921 32.550 1.00 15.74 H new ATOM 313 N VAL A 25 32.546 8.845 29.623 1.00 12.88 N ATOM 314 CA VAL A 25 33.366 7.933 28.808 1.00 14.28 C ATOM 315 C VAL A 25 33.177 8.327 27.337 1.00 13.69 C ATOM 316 O VAL A 25 34.157 8.382 26.585 1.00 13.11 O ATOM 317 CB VAL A 25 32.948 6.493 29.015 1.00 14.56 C ATOM 318 CG1 VAL A 25 33.500 5.554 27.930 1.00 17.69 C ATOM 319 CG2 VAL A 25 33.393 6.021 30.426 1.00 16.33 C ATOM 0 H VAL A 25 31.956 8.453 30.111 1.00 12.88 H new ATOM 0 HA VAL A 25 34.297 8.006 29.069 1.00 14.28 H new ATOM 0 HB VAL A 25 31.981 6.455 28.946 1.00 14.56 H new ATOM 0 HG11 VAL A 25 33.206 4.647 28.107 1.00 17.69 H new ATOM 0 HG12 VAL A 25 33.174 5.836 27.061 1.00 17.69 H new ATOM 0 HG13 VAL A 25 34.469 5.586 27.937 1.00 17.69 H new ATOM 0 HG21 VAL A 25 33.125 5.098 30.558 1.00 16.33 H new ATOM 0 HG22 VAL A 25 34.358 6.091 30.502 1.00 16.33 H new ATOM 0 HG23 VAL A 25 32.975 6.579 31.101 1.00 16.33 H new ATOM 320 N HIS A 26 31.954 8.625 26.915 1.00 11.50 N ATOM 321 CA HIS A 26 31.693 8.882 25.503 1.00 12.10 C ATOM 322 C HIS A 26 32.397 10.166 25.082 1.00 12.75 C ATOM 323 O HIS A 26 32.952 10.239 23.946 1.00 12.71 O ATOM 324 CB HIS A 26 30.216 9.049 25.250 1.00 11.85 C ATOM 325 CG HIS A 26 29.808 8.665 23.872 1.00 11.84 C ATOM 326 ND1 HIS A 26 30.080 7.416 23.342 1.00 13.26 N ATOM 327 CD2 HIS A 26 29.140 9.354 22.911 1.00 13.96 C ATOM 328 CE1 HIS A 26 29.566 7.342 22.124 1.00 12.67 C ATOM 329 NE2 HIS A 26 28.975 8.499 21.838 1.00 15.34 N ATOM 0 H HIS A 26 31.265 8.683 27.426 1.00 11.50 H new ATOM 0 HA HIS A 26 32.023 8.125 24.993 1.00 12.10 H new ATOM 0 HB2 HIS A 26 29.722 8.511 25.889 1.00 11.85 H new ATOM 0 HB3 HIS A 26 29.970 9.974 25.408 1.00 11.85 H new ATOM 0 HD2 HIS A 26 28.848 10.235 22.965 1.00 13.96 H new ATOM 0 HE1 HIS A 26 29.611 6.603 21.561 1.00 12.67 H new ATOM 0 HE2 HIS A 26 28.560 8.684 21.108 1.00 15.34 H new ATOM 330 N PHE A 27 32.445 11.159 25.959 1.00 11.81 N ATOM 331 CA PHE A 27 33.231 12.349 25.653 1.00 13.21 C ATOM 332 C PHE A 27 34.711 12.002 25.557 1.00 14.72 C ATOM 333 O PHE A 27 35.405 12.502 24.640 1.00 13.74 O ATOM 334 CB PHE A 27 33.012 13.442 26.684 1.00 14.16 C ATOM 335 CG PHE A 27 33.857 14.619 26.427 1.00 14.23 C ATOM 336 CD1 PHE A 27 33.459 15.605 25.512 1.00 16.53 C ATOM 337 CD2 PHE A 27 35.134 14.725 26.974 1.00 17.81 C ATOM 338 CE1 PHE A 27 34.289 16.695 25.212 1.00 18.78 C ATOM 339 CE2 PHE A 27 35.968 15.831 26.648 1.00 19.83 C ATOM 340 CZ PHE A 27 35.541 16.799 25.789 1.00 19.83 C ATOM 0 H PHE A 27 32.042 11.168 26.719 1.00 11.81 H new ATOM 0 HA PHE A 27 32.931 12.686 24.794 1.00 13.21 H new ATOM 0 HB2 PHE A 27 32.079 13.707 26.680 1.00 14.16 H new ATOM 0 HB3 PHE A 27 33.204 13.094 27.569 1.00 14.16 H new ATOM 0 HD1 PHE A 27 32.630 15.535 25.097 1.00 16.53 H new ATOM 0 HD2 PHE A 27 35.443 14.069 27.556 1.00 17.81 H new ATOM 0 HE1 PHE A 27 33.996 17.351 24.622 1.00 18.78 H new ATOM 0 HE2 PHE A 27 36.815 15.894 27.026 1.00 19.83 H new ATOM 0 HZ PHE A 27 36.088 17.525 25.592 1.00 19.83 H new ATOM 341 N GLN A 28 35.224 11.226 26.516 1.00 14.63 N ATOM 342 CA GLN A 28 36.657 10.908 26.485 1.00 14.93 C ATOM 343 C GLN A 28 37.013 10.196 25.185 1.00 15.76 C ATOM 344 O GLN A 28 38.104 10.451 24.625 1.00 16.27 O ATOM 345 CB GLN A 28 37.040 10.070 27.707 1.00 15.75 C ATOM 346 CG GLN A 28 36.891 10.827 29.022 1.00 19.55 C ATOM 347 CD GLN A 28 37.046 9.899 30.247 1.00 22.29 C ATOM 348 OE1 GLN A 28 36.710 8.697 30.188 1.00 26.16 O ATOM 349 NE2 GLN A 28 37.522 10.461 31.354 1.00 30.53 N ATOM 0 H GLN A 28 34.781 10.885 27.169 1.00 14.63 H new ATOM 0 HA GLN A 28 37.166 11.733 26.519 1.00 14.93 H new ATOM 0 HB2 GLN A 28 36.486 9.274 27.733 1.00 15.75 H new ATOM 0 HB3 GLN A 28 37.959 9.773 27.614 1.00 15.75 H new ATOM 0 HG2 GLN A 28 37.556 11.532 29.065 1.00 19.55 H new ATOM 0 HG3 GLN A 28 36.021 11.256 29.050 1.00 19.55 H new ATOM 0 HE21 GLN A 28 37.742 11.292 31.354 1.00 30.53 H new ATOM 0 HE22 GLN A 28 37.610 9.993 32.070 1.00 30.53 H new ATOM 350 N MET A 29 36.130 9.340 24.700 1.00 14.38 N ATOM 351 CA MET A 29 36.342 8.568 23.483 1.00 16.73 C ATOM 352 C MET A 29 36.346 9.437 22.247 1.00 17.67 C ATOM 353 O MET A 29 36.897 9.047 21.213 1.00 19.80 O ATOM 354 CB MET A 29 35.310 7.452 23.318 1.00 17.77 C ATOM 355 CG MET A 29 35.433 6.345 24.357 1.00 19.17 C ATOM 356 SD MET A 29 34.224 5.094 24.000 1.00 23.26 S ATOM 357 CE MET A 29 34.903 4.323 22.522 1.00 21.82 C ATOM 0 H MET A 29 35.372 9.186 25.076 1.00 14.38 H new ATOM 0 HA MET A 29 37.219 8.166 23.580 1.00 16.73 H new ATOM 0 HB2 MET A 29 34.420 7.835 23.369 1.00 17.77 H new ATOM 0 HB3 MET A 29 35.402 7.066 22.433 1.00 17.77 H new ATOM 0 HG2 MET A 29 36.325 5.965 24.340 1.00 19.17 H new ATOM 0 HG3 MET A 29 35.294 6.703 25.248 1.00 19.17 H new ATOM 0 HE1 MET A 29 34.447 3.483 22.356 1.00 21.82 H new ATOM 0 HE2 MET A 29 34.779 4.913 21.763 1.00 21.82 H new ATOM 0 HE3 MET A 29 35.850 4.156 22.650 1.00 21.82 H new ATOM 358 N SER A 30 35.744 10.623 22.356 1.00 16.80 N ATOM 359 CA SER A 30 35.640 11.510 21.207 1.00 16.06 C ATOM 360 C SER A 30 36.999 12.165 20.937 1.00 17.59 C ATOM 361 O SER A 30 37.172 12.734 19.840 1.00 16.90 O ATOM 362 CB SER A 30 34.532 12.605 21.420 1.00 14.52 C ATOM 363 OG SER A 30 34.934 13.606 22.280 1.00 15.19 O ATOM 0 H SER A 30 35.394 10.926 23.081 1.00 16.80 H new ATOM 0 HA SER A 30 35.379 10.981 20.437 1.00 16.06 H new ATOM 0 HB2 SER A 30 34.298 12.994 20.563 1.00 14.52 H new ATOM 0 HB3 SER A 30 33.730 12.185 21.770 1.00 14.52 H new ATOM 0 HG SER A 30 35.244 13.265 22.982 1.00 15.19 H new ATOM 364 N ALA A 31 37.908 12.185 21.918 1.00 17.87 N ATOM 365 CA ALA A 31 39.191 12.876 21.759 1.00 18.32 C ATOM 366 C ALA A 31 39.942 12.291 20.574 1.00 19.24 C ATOM 367 O ALA A 31 40.115 11.071 20.448 1.00 19.88 O ATOM 368 CB ALA A 31 40.066 12.794 23.028 1.00 19.53 C ATOM 0 H ALA A 31 37.800 11.805 22.682 1.00 17.87 H new ATOM 0 HA ALA A 31 38.999 13.814 21.603 1.00 18.32 H new ATOM 0 HB1 ALA A 31 40.901 13.263 22.876 1.00 19.53 H new ATOM 0 HB2 ALA A 31 39.597 13.203 23.772 1.00 19.53 H new ATOM 0 HB3 ALA A 31 40.251 11.864 23.234 1.00 19.53 H new ATOM 369 N GLY A 32 40.362 13.198 19.683 1.00 17.71 N ATOM 370 CA GLY A 32 41.175 12.805 18.548 1.00 19.77 C ATOM 371 C GLY A 32 40.444 12.104 17.422 1.00 19.13 C ATOM 372 O GLY A 32 41.081 11.612 16.491 1.00 21.78 O ATOM 0 H GLY A 32 40.184 14.038 19.725 1.00 17.71 H new ATOM 0 HA2 GLY A 32 41.603 13.598 18.189 1.00 19.77 H new ATOM 0 HA3 GLY A 32 41.881 12.221 18.865 1.00 19.77 H new ATOM 373 N AMET A 33 39.102 12.068 17.487 0.50 17.46 N ATOM 374 N BMET A 33 39.111 12.070 17.495 0.50 18.42 N ATOM 375 CA AMET A 33 38.207 11.427 16.511 0.50 16.69 C ATOM 376 CA BMET A 33 38.299 11.418 16.496 0.50 18.58 C ATOM 377 C AMET A 33 38.454 12.023 15.104 0.50 17.87 C ATOM 378 C BMET A 33 38.568 12.045 15.132 0.50 18.63 C ATOM 379 O AMET A 33 38.216 13.207 14.898 0.50 16.36 O ATOM 380 O BMET A 33 38.420 13.268 14.980 0.50 17.34 O ATOM 381 CB AMET A 33 36.767 11.687 16.971 0.50 17.69 C ATOM 382 CB BMET A 33 36.842 11.597 16.827 0.50 19.82 C ATOM 383 CG AMET A 33 35.667 11.081 16.139 0.50 13.53 C ATOM 384 CG BMET A 33 36.002 11.289 15.658 0.50 21.11 C ATOM 385 SD AMET A 33 35.680 9.273 16.049 0.50 15.85 S ATOM 386 SD BMET A 33 34.692 10.223 16.132 0.50 21.35 S ATOM 387 CE AMET A 33 35.352 8.868 17.761 0.50 17.12 C ATOM 388 CE BMET A 33 35.652 8.976 17.034 0.50 21.26 C ATOM 0 H AMET A 33 38.671 12.435 18.134 0.50 18.42 H new ATOM 0 H BMET A 33 38.660 12.430 18.133 0.50 18.42 H new ATOM 0 HA AMET A 33 38.372 10.473 16.459 0.50 18.58 H new ATOM 0 HA BMET A 33 38.519 10.474 16.479 0.50 18.58 H new ATOM 0 HB2AMET A 33 36.676 11.357 17.879 0.50 19.82 H new ATOM 0 HB2BMET A 33 36.600 11.018 17.567 0.50 19.82 H new ATOM 0 HB3AMET A 33 36.628 12.647 17.002 0.50 19.82 H new ATOM 0 HB3BMET A 33 36.681 12.509 17.116 0.50 19.82 H new ATOM 0 HG2AMET A 33 34.813 11.367 16.499 0.50 21.11 H new ATOM 0 HG2BMET A 33 35.644 12.108 15.282 0.50 21.11 H new ATOM 0 HG3AMET A 33 35.728 11.436 15.238 0.50 21.11 H new ATOM 0 HG3BMET A 33 36.537 10.870 14.966 0.50 21.11 H new ATOM 0 HE1AMET A 33 35.454 7.912 17.893 0.50 21.26 H new ATOM 0 HE1BMET A 33 35.378 8.090 16.751 0.50 21.26 H new ATOM 0 HE2AMET A 33 35.978 9.342 18.331 0.50 21.26 H new ATOM 0 HE2BMET A 33 36.596 9.097 16.848 0.50 21.26 H new ATOM 0 HE3AMET A 33 34.446 9.130 17.988 0.50 21.26 H new ATOM 0 HE3BMET A 33 35.496 9.073 17.986 0.50 21.26 H new ATOM 389 N PRO A 34 38.945 11.215 14.138 1.00 18.55 N ATOM 390 CA PRO A 34 39.133 11.713 12.763 1.00 18.48 C ATOM 391 C PRO A 34 37.905 12.462 12.231 1.00 15.92 C ATOM 392 O PRO A 34 36.775 11.968 12.320 1.00 16.56 O ATOM 393 CB PRO A 34 39.366 10.427 11.920 1.00 19.22 C ATOM 394 CG PRO A 34 39.732 9.338 12.939 1.00 21.53 C ATOM 395 CD PRO A 34 39.314 9.779 14.316 1.00 19.75 C ATOM 0 HA PRO A 34 39.865 12.349 12.722 1.00 18.48 H new ATOM 0 HB2 PRO A 34 38.570 10.186 11.421 1.00 19.22 H new ATOM 0 HB3 PRO A 34 40.078 10.556 11.274 1.00 19.22 H new ATOM 0 HG2 PRO A 34 39.292 8.505 12.708 1.00 21.53 H new ATOM 0 HG3 PRO A 34 40.687 9.170 12.919 1.00 21.53 H new ATOM 0 HD2 PRO A 34 38.565 9.258 14.644 1.00 19.75 H new ATOM 0 HD3 PRO A 34 40.035 9.674 14.957 1.00 19.75 H new ATOM 396 N GLY A 35 38.150 13.659 11.702 1.00 14.41 N ATOM 397 CA GLY A 35 37.090 14.432 11.061 1.00 13.57 C ATOM 398 C GLY A 35 36.252 15.312 11.968 1.00 12.08 C ATOM 399 O GLY A 35 35.555 16.213 11.454 1.00 11.81 O ATOM 0 H GLY A 35 38.921 14.040 11.704 1.00 14.41 H new ATOM 0 HA2 GLY A 35 37.493 14.994 10.380 1.00 13.57 H new ATOM 0 HA3 GLY A 35 36.497 13.814 10.605 1.00 13.57 H new ATOM 400 N LEU A 36 36.309 15.048 13.271 1.00 11.29 N ATOM 401 CA LEU A 36 35.428 15.764 14.221 1.00 9.59 C ATOM 402 C LEU A 36 36.127 16.998 14.716 1.00 10.75 C ATOM 403 O LEU A 36 37.277 16.933 15.215 1.00 12.68 O ATOM 404 CB LEU A 36 35.140 14.806 15.369 1.00 10.77 C ATOM 405 CG LEU A 36 34.240 15.368 16.473 1.00 11.58 C ATOM 406 CD1 LEU A 36 32.804 15.574 15.980 1.00 12.66 C ATOM 407 CD2 LEU A 36 34.281 14.377 17.646 1.00 15.59 C ATOM 0 H LEU A 36 36.837 14.471 13.629 1.00 11.29 H new ATOM 0 HA LEU A 36 34.599 16.041 13.801 1.00 9.59 H new ATOM 0 HB2 LEU A 36 34.725 14.007 15.009 1.00 10.77 H new ATOM 0 HB3 LEU A 36 35.983 14.535 15.765 1.00 10.77 H new ATOM 0 HG LEU A 36 34.561 16.240 16.750 1.00 11.58 H new ATOM 0 HD11 LEU A 36 32.262 15.930 16.701 1.00 12.66 H new ATOM 0 HD12 LEU A 36 32.803 16.198 15.237 1.00 12.66 H new ATOM 0 HD13 LEU A 36 32.437 14.725 15.689 1.00 12.66 H new ATOM 0 HD21 LEU A 36 33.719 14.704 18.366 1.00 15.59 H new ATOM 0 HD22 LEU A 36 33.957 13.512 17.351 1.00 15.59 H new ATOM 0 HD23 LEU A 36 35.193 14.289 17.963 1.00 15.59 H new ATOM 408 N HIS A 37 35.485 18.158 14.642 1.00 8.48 N ATOM 409 CA HIS A 37 36.057 19.327 15.220 1.00 7.58 C ATOM 410 C HIS A 37 35.775 19.466 16.705 1.00 9.12 C ATOM 411 O HIS A 37 36.624 19.938 17.437 1.00 11.77 O ATOM 412 CB HIS A 37 35.559 20.566 14.501 1.00 8.84 C ATOM 413 CG HIS A 37 35.991 21.817 15.187 1.00 8.46 C ATOM 414 ND1 HIS A 37 37.318 22.176 15.341 1.00 12.32 N ATOM 415 CD2 HIS A 37 35.283 22.783 15.801 1.00 10.52 C ATOM 416 CE1 HIS A 37 37.412 23.307 16.026 1.00 12.70 C ATOM 417 NE2 HIS A 37 36.177 23.699 16.318 1.00 12.14 N ATOM 0 H HIS A 37 34.723 18.274 14.261 1.00 8.48 H new ATOM 0 HA HIS A 37 37.017 19.235 15.117 1.00 7.58 H new ATOM 0 HB2 HIS A 37 35.891 20.566 13.590 1.00 8.84 H new ATOM 0 HB3 HIS A 37 34.591 20.543 14.450 1.00 8.84 H new ATOM 0 HD2 HIS A 37 34.356 22.826 15.865 1.00 10.52 H new ATOM 0 HE1 HIS A 37 38.198 23.745 16.259 1.00 12.70 H new ATOM 0 HE2 HIS A 37 35.968 24.408 16.758 1.00 12.14 H new ATOM 418 N LYS A 38 34.566 19.122 17.146 1.00 9.09 N ATOM 419 CA LYS A 38 34.162 19.316 18.573 1.00 9.55 C ATOM 420 C LYS A 38 33.022 18.375 18.835 1.00 9.08 C ATOM 421 O LYS A 38 32.156 18.143 17.983 1.00 8.41 O ATOM 422 CB LYS A 38 33.715 20.757 18.782 1.00 10.54 C ATOM 423 CG LYS A 38 33.352 21.099 20.248 1.00 12.41 C ATOM 424 CD LYS A 38 32.992 22.632 20.332 1.00 15.68 C ATOM 425 CE LYS A 38 32.205 22.867 21.574 1.00 22.36 C ATOM 426 NZ LYS A 38 32.228 24.312 21.944 1.00 27.38 N ATOM 0 H LYS A 38 33.956 18.775 16.649 1.00 9.09 H new ATOM 0 HA LYS A 38 34.899 19.138 19.178 1.00 9.55 H new ATOM 0 HB2 LYS A 38 34.423 21.351 18.487 1.00 10.54 H new ATOM 0 HB3 LYS A 38 32.945 20.932 18.219 1.00 10.54 H new ATOM 0 HG2 LYS A 38 32.602 20.560 20.544 1.00 12.41 H new ATOM 0 HG3 LYS A 38 34.096 20.895 20.836 1.00 12.41 H new ATOM 0 HD2 LYS A 38 33.800 23.168 20.339 1.00 15.68 H new ATOM 0 HD3 LYS A 38 32.480 22.901 19.553 1.00 15.68 H new ATOM 0 HE2 LYS A 38 31.289 22.576 21.442 1.00 22.36 H new ATOM 0 HE3 LYS A 38 32.570 22.336 22.299 1.00 22.36 H new ATOM 0 HZ1 LYS A 38 31.730 24.441 22.671 1.00 27.38 H new ATOM 0 HZ2 LYS A 38 33.066 24.563 22.110 1.00 27.38 H new ATOM 0 HZ3 LYS A 38 31.902 24.796 21.272 1.00 27.38 H new ATOM 427 N TYR A 39 32.999 17.851 20.070 1.00 9.23 N ATOM 428 CA TYR A 39 31.885 17.091 20.617 1.00 8.59 C ATOM 429 C TYR A 39 31.592 17.692 21.974 1.00 9.45 C ATOM 430 O TYR A 39 32.501 18.016 22.747 1.00 11.29 O ATOM 431 CB TYR A 39 32.258 15.619 20.836 1.00 10.88 C ATOM 432 CG TYR A 39 31.139 14.796 21.429 1.00 10.75 C ATOM 433 CD1 TYR A 39 29.882 14.645 20.793 1.00 11.13 C ATOM 434 CD2 TYR A 39 31.309 14.165 22.678 1.00 11.02 C ATOM 435 CE1 TYR A 39 28.837 13.919 21.402 1.00 9.42 C ATOM 436 CE2 TYR A 39 30.275 13.424 23.260 1.00 11.06 C ATOM 437 CZ TYR A 39 29.080 13.264 22.615 1.00 10.79 C ATOM 438 OH TYR A 39 28.135 12.526 23.270 1.00 13.04 O ATOM 0 H TYR A 39 33.654 17.935 20.621 1.00 9.23 H new ATOM 0 HA TYR A 39 31.134 17.128 20.005 1.00 8.59 H new ATOM 0 HB2 TYR A 39 32.522 15.230 19.987 1.00 10.88 H new ATOM 0 HB3 TYR A 39 33.030 15.572 21.422 1.00 10.88 H new ATOM 0 HD1 TYR A 39 29.743 15.032 19.959 1.00 11.13 H new ATOM 0 HD2 TYR A 39 32.122 14.243 23.123 1.00 11.02 H new ATOM 0 HE1 TYR A 39 27.998 13.876 21.003 1.00 9.42 H new ATOM 0 HE2 TYR A 39 30.402 13.036 24.095 1.00 11.06 H new ATOM 0 HH TYR A 39 27.536 12.294 22.729 1.00 13.04 H new ATOM 439 N AGLU A 40 30.306 17.773 22.314 0.50 8.22 N ATOM 440 N BGLU A 40 30.288 17.866 22.267 0.50 8.39 N ATOM 441 CA AGLU A 40 29.910 18.189 23.645 0.50 9.02 C ATOM 442 CA BGLU A 40 29.754 18.254 23.595 0.50 9.26 C ATOM 443 C AGLU A 40 28.742 17.312 24.045 0.50 8.38 C ATOM 444 C BGLU A 40 28.719 17.230 24.026 0.50 8.52 C ATOM 445 O AGLU A 40 27.868 16.998 23.228 0.50 8.50 O ATOM 446 O BGLU A 40 27.892 16.751 23.225 0.50 8.64 O ATOM 447 CB AGLU A 40 29.529 19.671 23.618 0.50 8.31 C ATOM 448 CB BGLU A 40 29.086 19.654 23.550 0.50 8.61 C ATOM 449 CG AGLU A 40 28.974 20.176 24.921 0.50 9.42 C ATOM 450 CG BGLU A 40 30.065 20.787 23.447 0.50 10.73 C ATOM 451 CD AGLU A 40 28.917 21.675 24.982 0.50 11.36 C ATOM 452 CD BGLU A 40 29.451 22.178 23.619 0.50 12.32 C ATOM 453 OE1AGLU A 40 28.368 22.277 24.041 0.50 15.78 O ATOM 454 OE1BGLU A 40 28.205 22.273 23.765 0.50 10.14 O ATOM 455 OE2AGLU A 40 29.403 22.223 26.001 0.50 15.76 O ATOM 456 OE2BGLU A 40 30.234 23.154 23.586 0.50 16.51 O ATOM 0 H AGLU A 40 29.653 17.590 21.785 0.50 8.39 H new ATOM 0 H BGLU A 40 29.669 17.758 21.679 0.50 8.39 H new ATOM 0 HA AGLU A 40 30.628 18.091 24.290 0.50 9.26 H new ATOM 0 HA BGLU A 40 30.492 18.287 24.224 0.50 9.26 H new ATOM 0 HB2AGLU A 40 30.312 20.194 23.385 0.50 8.61 H new ATOM 0 HB2BGLU A 40 28.481 19.690 22.793 0.50 8.61 H new ATOM 0 HB3AGLU A 40 28.873 19.815 22.918 0.50 8.61 H new ATOM 0 HB3BGLU A 40 28.549 19.773 24.349 0.50 8.61 H new ATOM 0 HG2AGLU A 40 28.082 19.816 25.050 0.50 10.73 H new ATOM 0 HG2BGLU A 40 30.754 20.665 24.119 0.50 10.73 H new ATOM 0 HG3AGLU A 40 29.521 19.847 25.651 0.50 10.73 H new ATOM 0 HG3BGLU A 40 30.502 20.744 22.582 0.50 10.73 H new ATOM 457 N VAL A 41 28.712 16.925 25.327 1.00 9.00 N ATOM 458 CA VAL A 41 27.591 16.191 25.913 1.00 9.51 C ATOM 459 C VAL A 41 27.301 16.780 27.276 1.00 8.36 C ATOM 460 O VAL A 41 28.188 17.132 28.049 1.00 9.61 O ATOM 461 CB VAL A 41 27.885 14.654 26.001 1.00 9.74 C ATOM 462 CG1 VAL A 41 29.102 14.334 26.892 1.00 11.91 C ATOM 463 CG2 VAL A 41 26.619 13.854 26.500 1.00 11.24 C ATOM 0 H AVAL A 41 29.349 17.085 25.882 0.50 9.00 H new ATOM 0 H BVAL A 41 29.338 17.131 25.879 0.50 9.00 H new ATOM 0 HA VAL A 41 26.811 16.282 25.344 1.00 9.51 H new ATOM 0 HB VAL A 41 28.100 14.368 25.100 1.00 9.74 H new ATOM 0 HG11 VAL A 41 29.243 13.375 26.915 1.00 11.91 H new ATOM 0 HG12 VAL A 41 29.891 14.768 26.531 1.00 11.91 H new ATOM 0 HG13 VAL A 41 28.939 14.658 27.792 1.00 11.91 H new ATOM 0 HG21 VAL A 41 26.830 12.908 26.544 1.00 11.24 H new ATOM 0 HG22 VAL A 41 26.363 14.169 27.381 1.00 11.24 H new ATOM 0 HG23 VAL A 41 25.884 13.992 25.882 1.00 11.24 H new ATOM 464 N ARG A 42 26.001 16.926 27.500 1.00 9.17 N ATOM 465 CA ARG A 42 25.510 17.555 28.734 1.00 8.99 C ATOM 466 C ARG A 42 24.322 16.777 29.226 1.00 9.17 C ATOM 467 O ARG A 42 23.573 16.219 28.462 1.00 9.97 O ATOM 468 CB ARG A 42 25.058 18.991 28.433 1.00 11.32 C ATOM 469 CG ARG A 42 26.147 19.942 28.097 1.00 11.03 C ATOM 470 CD ARG A 42 25.474 21.303 27.715 1.00 12.22 C ATOM 471 NE ARG A 42 24.873 21.253 26.377 1.00 11.50 N ATOM 472 CZ ARG A 42 24.144 22.249 25.835 1.00 11.42 C ATOM 473 NH1 ARG A 42 23.639 23.189 26.626 1.00 11.22 N ATOM 474 NH2 ARG A 42 23.830 22.276 24.552 1.00 11.74 N ATOM 0 H ARG A 42 25.385 16.671 26.957 1.00 9.17 H new ATOM 0 HA ARG A 42 26.215 17.565 29.400 1.00 8.99 H new ATOM 0 HB2 ARG A 42 24.429 18.968 27.695 1.00 11.32 H new ATOM 0 HB3 ARG A 42 24.578 19.331 29.204 1.00 11.32 H new ATOM 0 HG2 ARG A 42 26.746 20.056 28.851 1.00 11.03 H new ATOM 0 HG3 ARG A 42 26.680 19.605 27.360 1.00 11.03 H new ATOM 0 HD2 ARG A 42 24.792 21.522 28.369 1.00 12.22 H new ATOM 0 HD3 ARG A 42 26.135 22.012 27.747 1.00 12.22 H new ATOM 0 HE ARG A 42 24.994 20.542 25.908 1.00 11.50 H new ATOM 0 HH11 ARG A 42 23.779 23.158 27.474 1.00 11.22 H new ATOM 0 HH12 ARG A 42 23.173 23.829 26.290 1.00 11.22 H new ATOM 0 HH21 ARG A 42 24.092 21.644 24.032 1.00 11.74 H new ATOM 0 HH22 ARG A 42 23.363 22.926 24.237 1.00 11.74 H new ATOM 475 N LEU A 43 24.162 16.709 30.571 1.00 10.25 N ATOM 476 CA LEU A 43 22.931 16.125 31.128 1.00 11.38 C ATOM 477 C LEU A 43 21.752 17.098 31.055 1.00 10.14 C ATOM 478 O LEU A 43 21.996 18.304 31.064 1.00 11.52 O ATOM 479 CB LEU A 43 23.139 15.685 32.608 1.00 12.66 C ATOM 480 CG LEU A 43 24.062 14.494 32.810 1.00 15.79 C ATOM 481 CD1 LEU A 43 24.064 14.159 34.303 1.00 18.50 C ATOM 482 CD2 LEU A 43 23.586 13.279 32.041 1.00 16.20 C ATOM 0 H LEU A 43 24.734 16.986 31.151 1.00 10.25 H new ATOM 0 HA LEU A 43 22.724 15.348 30.585 1.00 11.38 H new ATOM 0 HB2 LEU A 43 23.493 16.438 33.107 1.00 12.66 H new ATOM 0 HB3 LEU A 43 22.274 15.473 32.991 1.00 12.66 H new ATOM 0 HG LEU A 43 24.948 14.723 32.487 1.00 15.79 H new ATOM 0 HD11 LEU A 43 24.646 13.400 34.464 1.00 18.50 H new ATOM 0 HD12 LEU A 43 24.384 14.924 34.806 1.00 18.50 H new ATOM 0 HD13 LEU A 43 23.163 13.940 34.587 1.00 18.50 H new ATOM 0 HD21 LEU A 43 24.196 12.540 32.192 1.00 16.20 H new ATOM 0 HD22 LEU A 43 22.698 13.032 32.344 1.00 16.20 H new ATOM 0 HD23 LEU A 43 23.558 13.486 31.094 1.00 16.20 H new ATOM 483 N VAL A 44 20.528 16.604 30.931 1.00 10.40 N ATOM 484 CA VAL A 44 19.343 17.431 31.167 1.00 11.27 C ATOM 485 C VAL A 44 19.121 17.453 32.696 1.00 13.39 C ATOM 486 O VAL A 44 18.873 16.375 33.285 1.00 16.04 O ATOM 487 CB VAL A 44 18.136 16.893 30.409 1.00 11.89 C ATOM 488 CG1 VAL A 44 16.920 17.717 30.792 1.00 13.45 C ATOM 489 CG2 VAL A 44 18.391 16.988 28.873 1.00 11.46 C ATOM 0 H VAL A 44 20.357 15.790 30.711 1.00 10.40 H new ATOM 0 HA VAL A 44 19.470 18.334 30.836 1.00 11.27 H new ATOM 0 HB VAL A 44 17.986 15.962 30.637 1.00 11.89 H new ATOM 0 HG11 VAL A 44 16.142 17.386 30.317 1.00 13.45 H new ATOM 0 HG12 VAL A 44 16.769 17.646 31.748 1.00 13.45 H new ATOM 0 HG13 VAL A 44 17.071 18.646 30.557 1.00 13.45 H new ATOM 0 HG21 VAL A 44 17.620 16.644 28.395 1.00 11.46 H new ATOM 0 HG22 VAL A 44 18.538 17.914 28.626 1.00 11.46 H new ATOM 0 HG23 VAL A 44 19.174 16.464 28.642 1.00 11.46 H new ATOM 490 N ALA A 45 19.251 18.618 33.325 1.00 13.48 N ATOM 491 CA ALA A 45 19.155 18.761 34.806 1.00 15.56 C ATOM 492 C ALA A 45 17.806 19.229 35.165 1.00 18.18 C ATOM 493 O ALA A 45 17.375 19.021 36.343 1.00 20.66 O ATOM 494 CB ALA A 45 20.163 19.771 35.280 1.00 18.21 C ATOM 0 H ALA A 45 19.398 19.360 32.915 1.00 13.48 H new ATOM 0 HA ALA A 45 19.329 17.903 35.223 1.00 15.56 H new ATOM 0 HB1 ALA A 45 20.100 19.864 36.244 1.00 18.21 H new ATOM 0 HB2 ALA A 45 21.055 19.474 35.042 1.00 18.21 H new ATOM 0 HB3 ALA A 45 19.985 20.627 34.861 1.00 18.21 H new ATOM 495 N GLY A 46 17.145 19.949 34.287 1.00 17.70 N ATOM 496 CA GLY A 46 15.811 20.429 34.632 1.00 18.98 C ATOM 497 C GLY A 46 14.908 20.649 33.445 1.00 18.38 C ATOM 498 O GLY A 46 15.357 20.858 32.282 1.00 15.32 O ATOM 0 H GLY A 46 17.432 20.170 33.507 1.00 17.70 H new ATOM 0 HA2 GLY A 46 15.393 19.790 35.230 1.00 18.98 H new ATOM 0 HA3 GLY A 46 15.894 21.262 35.121 1.00 18.98 H new ATOM 499 N ASN A 47 13.627 20.596 33.722 1.00 19.75 N ATOM 500 CA ASN A 47 12.602 20.668 32.721 1.00 22.27 C ATOM 501 C ASN A 47 11.546 21.703 33.121 1.00 23.38 C ATOM 502 O ASN A 47 10.431 21.305 33.500 1.00 23.95 O ATOM 503 CB ASN A 47 11.957 19.290 32.561 1.00 21.94 C ATOM 504 CG ASN A 47 12.892 18.278 31.919 1.00 21.86 C ATOM 505 OD1 ASN A 47 12.850 18.086 30.701 1.00 19.65 O ATOM 506 ND2 ASN A 47 13.716 17.605 32.729 1.00 22.15 N ATOM 0 H ASN A 47 13.322 20.515 34.522 1.00 19.75 H new ATOM 0 HA ASN A 47 12.994 20.940 31.876 1.00 22.27 H new ATOM 0 HB2 ASN A 47 11.680 18.963 33.431 1.00 21.94 H new ATOM 0 HB3 ASN A 47 11.155 19.373 32.021 1.00 21.94 H new ATOM 0 HD21 ASN A 47 14.246 17.010 32.405 1.00 22.15 H new ATOM 0 HD22 ASN A 47 13.716 17.767 33.574 1.00 22.15 H new ATOM 507 N PRO A 48 11.880 23.000 33.044 1.00 24.38 N ATOM 508 CA PRO A 48 10.904 23.996 33.547 1.00 26.36 C ATOM 509 C PRO A 48 9.659 23.964 32.656 1.00 28.71 C ATOM 510 O PRO A 48 9.757 23.877 31.440 1.00 28.69 O ATOM 511 CB PRO A 48 11.665 25.333 33.484 1.00 27.19 C ATOM 512 CG PRO A 48 12.889 25.079 32.664 1.00 25.41 C ATOM 513 CD PRO A 48 13.159 23.611 32.645 1.00 23.60 C ATOM 0 HA PRO A 48 10.586 23.831 34.448 1.00 26.36 H new ATOM 0 HB2 PRO A 48 11.117 26.025 33.082 1.00 27.19 H new ATOM 0 HB3 PRO A 48 11.901 25.639 34.374 1.00 27.19 H new ATOM 0 HG2 PRO A 48 12.763 25.409 31.761 1.00 25.41 H new ATOM 0 HG3 PRO A 48 13.648 25.555 33.036 1.00 25.41 H new ATOM 0 HD2 PRO A 48 13.434 23.313 31.764 1.00 23.60 H new ATOM 0 HD3 PRO A 48 13.871 23.374 33.259 1.00 23.60 H new ATOM 514 N ATHR A 49 8.530 23.793 33.340 0.50 30.37 N ATOM 515 N BTHR A 49 8.483 24.214 33.233 0.50 30.06 N ATOM 516 CA ATHR A 49 7.292 23.273 32.774 0.50 31.87 C ATOM 517 CA BTHR A 49 7.257 24.211 32.414 0.50 31.25 C ATOM 518 C ATHR A 49 6.356 24.455 32.633 0.50 32.79 C ATOM 519 C BTHR A 49 6.499 25.545 32.315 0.50 32.07 C ATOM 520 O ATHR A 49 5.350 24.416 31.914 0.50 32.77 O ATOM 521 O BTHR A 49 5.442 25.608 31.685 0.50 32.57 O ATOM 522 CB ATHR A 49 6.687 22.197 33.728 0.50 32.06 C ATOM 523 CB BTHR A 49 6.262 23.093 32.847 0.50 31.55 C ATOM 524 OG1ATHR A 49 5.298 21.996 33.444 0.50 32.48 O ATOM 525 OG1BTHR A 49 5.881 23.292 34.215 0.50 31.99 O ATOM 526 CG2ATHR A 49 6.841 22.615 35.203 0.50 32.15 C ATOM 527 CG2BTHR A 49 6.870 21.699 32.679 0.50 30.63 C ATOM 0 H ATHR A 49 8.464 23.984 34.176 0.50 30.06 H new ATOM 0 H BTHR A 49 8.369 24.383 34.068 0.50 30.06 H new ATOM 0 HA ATHR A 49 7.440 22.849 31.914 0.50 31.25 H new ATOM 0 HA BTHR A 49 7.604 24.035 31.525 0.50 31.25 H new ATOM 0 HB ATHR A 49 7.173 21.371 33.579 0.50 31.55 H new ATOM 0 HB BTHR A 49 5.482 23.148 32.273 0.50 31.55 H new ATOM 0 HG1ATHR A 49 4.987 21.414 33.964 0.50 31.99 H new ATOM 0 HG1BTHR A 49 5.343 22.690 34.447 0.50 31.99 H new ATOM 0 HG21ATHR A 49 6.458 21.931 35.775 0.50 30.63 H new ATOM 0 HG21BTHR A 49 6.226 21.029 32.957 0.50 30.63 H new ATOM 0 HG22ATHR A 49 7.782 22.722 35.413 0.50 30.63 H new ATOM 0 HG22BTHR A 49 7.102 21.557 31.748 0.50 30.63 H new ATOM 0 HG23ATHR A 49 6.380 23.455 35.351 0.50 30.63 H new ATOM 0 HG23BTHR A 49 7.668 21.626 33.226 0.50 30.63 H new ATOM 528 N AASP A 50 6.743 25.519 33.325 0.50 33.67 N ATOM 529 N BASP A 50 7.017 26.610 32.921 0.50 32.71 N ATOM 530 CA AASP A 50 5.990 26.748 33.418 0.50 34.22 C ATOM 531 CA BASP A 50 6.313 27.901 32.834 0.50 33.95 C ATOM 532 C AASP A 50 6.349 27.655 32.244 0.50 34.37 C ATOM 533 C BASP A 50 6.745 28.711 31.604 0.50 33.51 C ATOM 534 O AASP A 50 7.118 28.612 32.404 0.50 34.60 O ATOM 535 O BASP A 50 7.245 29.831 31.734 0.50 34.31 O ATOM 536 CB AASP A 50 6.387 27.429 34.728 0.50 34.60 C ATOM 537 CB BASP A 50 6.502 28.726 34.111 0.50 34.29 C ATOM 538 CG AASP A 50 7.863 27.199 35.078 0.50 36.06 C ATOM 539 CG BASP A 50 7.966 28.952 34.448 0.50 36.17 C ATOM 540 OD1AASP A 50 8.257 26.041 35.365 0.50 37.45 O ATOM 541 OD1BASP A 50 8.833 28.268 33.856 0.50 38.48 O ATOM 542 OD2AASP A 50 8.642 28.179 35.061 0.50 37.15 O ATOM 543 OD2BASP A 50 8.250 29.811 35.312 0.50 38.35 O ATOM 0 H AASP A 50 7.480 25.540 33.768 0.50 32.71 H new ATOM 0 H BASP A 50 7.748 26.616 33.374 0.50 32.71 H new ATOM 0 HA AASP A 50 5.037 26.571 33.396 0.50 33.95 H new ATOM 0 HA BASP A 50 5.369 27.698 32.737 0.50 33.95 H new ATOM 0 HB2AASP A 50 6.217 28.382 34.660 0.50 34.29 H new ATOM 0 HB2BASP A 50 6.061 29.584 34.006 0.50 34.29 H new ATOM 0 HB3AASP A 50 5.830 27.093 35.447 0.50 34.29 H new ATOM 0 HB3BASP A 50 6.069 28.273 34.852 0.50 34.29 H new ATOM 544 N ATHR A 51 5.829 27.356 31.057 0.50 33.65 N ATOM 545 N BTHR A 51 6.524 28.143 30.421 0.50 33.52 N ATOM 546 CA ATHR A 51 6.170 28.188 29.912 0.50 33.19 C ATOM 547 CA BTHR A 51 7.026 28.716 29.160 0.50 32.92 C ATOM 548 C ATHR A 51 5.119 29.256 29.577 0.50 32.50 C ATOM 549 C BTHR A 51 6.435 30.093 28.766 0.50 32.61 C ATOM 550 O ATHR A 51 3.922 29.072 29.799 0.50 33.43 O ATOM 551 O BTHR A 51 7.132 30.925 28.197 0.50 32.83 O ATOM 552 CB ATHR A 51 6.608 27.379 28.652 0.50 33.09 C ATOM 553 CB BTHR A 51 6.874 27.704 27.984 0.50 32.90 C ATOM 554 OG1ATHR A 51 5.614 26.404 28.315 0.50 32.58 O ATOM 555 OG1BTHR A 51 5.589 27.078 28.056 0.50 33.43 O ATOM 556 CG2ATHR A 51 7.965 26.684 28.886 0.50 33.10 C ATOM 557 CG2BTHR A 51 7.947 26.608 28.058 0.50 31.97 C ATOM 0 H ATHR A 51 5.296 26.700 30.897 0.50 33.52 H new ATOM 0 H BTHR A 51 6.079 27.414 30.321 0.50 33.52 H new ATOM 0 HA ATHR A 51 6.956 28.674 30.207 0.50 32.92 H new ATOM 0 HA BTHR A 51 7.965 28.887 29.335 0.50 32.92 H new ATOM 0 HB ATHR A 51 6.705 28.002 27.915 0.50 32.90 H new ATOM 0 HB BTHR A 51 6.973 28.193 27.152 0.50 32.90 H new ATOM 0 HG1ATHR A 51 5.182 26.665 27.644 0.50 33.43 H new ATOM 0 HG1BTHR A 51 5.124 27.317 27.399 0.50 33.43 H new ATOM 0 HG21ATHR A 51 8.216 26.188 28.091 0.50 31.97 H new ATOM 0 HG21BTHR A 51 7.832 25.992 27.318 0.50 31.97 H new ATOM 0 HG22ATHR A 51 8.642 27.352 29.078 0.50 31.97 H new ATOM 0 HG22BTHR A 51 8.827 27.013 28.008 0.50 31.97 H new ATOM 0 HG23ATHR A 51 7.891 26.074 29.637 0.50 31.97 H new ATOM 0 HG23BTHR A 51 7.861 26.126 28.895 0.50 31.97 H new ATOM 558 N AHIS A 52 5.622 30.381 29.084 0.50 31.68 N ATOM 559 N BHIS A 52 5.163 30.341 29.065 0.50 31.79 N ATOM 560 CA AHIS A 52 4.865 31.506 28.552 0.50 29.90 C ATOM 561 CA BHIS A 52 4.525 31.602 28.649 0.50 30.34 C ATOM 562 C AHIS A 52 4.130 31.072 27.279 0.50 29.05 C ATOM 563 C BHIS A 52 4.098 31.525 27.179 0.50 29.22 C ATOM 564 O AHIS A 52 2.955 31.383 27.047 0.50 29.06 O ATOM 565 O BHIS A 52 3.454 32.422 26.659 0.50 28.96 O ATOM 566 CB AHIS A 52 5.915 32.558 28.200 0.50 30.14 C ATOM 567 CB BHIS A 52 5.480 32.787 28.822 0.50 30.93 C ATOM 568 CG AHIS A 52 7.269 31.959 27.924 0.50 28.43 C ATOM 569 CG BHIS A 52 6.253 33.120 27.582 0.50 31.41 C ATOM 570 ND1AHIS A 52 7.867 31.983 26.679 0.50 28.47 N ATOM 571 ND1BHIS A 52 6.015 34.251 26.834 0.50 31.64 N ATOM 572 CD2AHIS A 52 8.107 31.259 28.725 0.50 29.75 C ATOM 573 CD2BHIS A 52 7.248 32.455 26.947 0.50 32.29 C ATOM 574 CE1AHIS A 52 9.029 31.357 26.735 0.50 21.57 C ATOM 575 CE1BHIS A 52 6.837 34.276 25.800 0.50 30.75 C ATOM 576 NE2AHIS A 52 9.190 30.893 27.961 0.50 26.91 N ATOM 577 NE2BHIS A 52 7.593 33.196 25.842 0.50 32.65 N ATOM 0 H AHIS A 52 6.471 30.516 29.049 0.50 31.79 H new ATOM 0 H BHIS A 52 4.652 29.804 29.502 0.50 31.79 H new ATOM 0 HA AHIS A 52 4.206 31.838 29.182 0.50 30.34 H new ATOM 0 HA BHIS A 52 3.747 31.735 29.213 0.50 30.34 H new ATOM 0 HB2AHIS A 52 5.621 33.055 27.421 0.50 30.93 H new ATOM 0 HB2BHIS A 52 4.971 33.566 29.096 0.50 30.93 H new ATOM 0 HB3AHIS A 52 5.989 33.192 28.930 0.50 30.93 H new ATOM 0 HB3BHIS A 52 6.103 32.589 29.539 0.50 30.93 H new ATOM 0 HD2AHIS A 52 7.975 31.062 29.624 0.50 32.29 H new ATOM 0 HD2BHIS A 52 7.627 31.647 27.210 0.50 32.29 H new ATOM 0 HE1AHIS A 52 9.630 31.260 26.032 0.50 30.75 H new ATOM 0 HE1BHIS A 52 6.876 34.942 25.152 0.50 30.75 H new ATOM 0 HE2AHIS A 52 9.864 30.436 28.237 0.50 32.65 H new ATOM 0 HE2BHIS A 52 8.202 32.989 25.271 0.50 32.65 H new ATOM 578 N AVAL A 53 4.876 30.346 26.462 0.50 27.44 N ATOM 579 N BVAL A 53 4.526 30.469 26.506 0.50 27.48 N ATOM 580 CA AVAL A 53 4.442 29.792 25.199 0.50 25.71 C ATOM 581 CA BVAL A 53 3.946 30.075 25.241 0.50 26.10 C ATOM 582 C AVAL A 53 3.828 28.402 25.466 0.50 24.05 C ATOM 583 C BVAL A 53 3.731 28.575 25.441 0.50 24.29 C ATOM 584 O AVAL A 53 4.242 27.721 26.415 0.50 22.85 O ATOM 585 O BVAL A 53 4.339 27.982 26.337 0.50 24.04 O ATOM 586 CB AVAL A 53 5.702 29.654 24.292 0.50 25.56 C ATOM 587 CB BVAL A 53 4.870 30.397 24.028 0.50 26.40 C ATOM 588 CG1AVAL A 53 5.397 28.902 23.031 0.50 25.49 C ATOM 589 CG1BVAL A 53 5.483 31.787 24.173 0.50 27.51 C ATOM 590 CG2AVAL A 53 6.301 31.024 23.950 0.50 24.69 C ATOM 591 CG2BVAL A 53 5.963 29.353 23.889 0.50 26.64 C ATOM 0 H AVAL A 53 5.695 30.154 26.643 0.50 27.48 H new ATOM 0 H BVAL A 53 5.165 29.960 26.774 0.50 27.48 H new ATOM 0 HA AVAL A 53 3.781 30.356 24.767 0.50 26.10 H new ATOM 0 HA BVAL A 53 3.131 30.555 25.024 0.50 26.10 H new ATOM 0 HB AVAL A 53 6.356 29.148 24.799 0.50 26.40 H new ATOM 0 HB BVAL A 53 4.327 30.380 23.225 0.50 26.40 H new ATOM 0 HG11AVAL A 53 6.200 28.835 22.492 0.50 27.51 H new ATOM 0 HG11BVAL A 53 6.054 31.970 23.411 0.50 27.51 H new ATOM 0 HG12AVAL A 53 5.082 28.012 23.253 0.50 27.51 H new ATOM 0 HG12BVAL A 53 4.776 32.450 24.214 0.50 27.51 H new ATOM 0 HG13AVAL A 53 4.711 29.372 22.531 0.50 27.51 H new ATOM 0 HG13BVAL A 53 6.009 31.826 24.987 0.50 27.51 H new ATOM 0 HG21AVAL A 53 7.081 30.905 23.386 0.50 26.64 H new ATOM 0 HG21BVAL A 53 6.525 29.572 23.130 0.50 26.64 H new ATOM 0 HG22AVAL A 53 5.641 31.558 23.480 0.50 26.64 H new ATOM 0 HG22BVAL A 53 6.501 29.338 24.696 0.50 26.64 H new ATOM 0 HG23AVAL A 53 6.560 31.477 24.768 0.50 26.64 H new ATOM 0 HG23BVAL A 53 5.562 28.480 23.753 0.50 26.64 H new ATOM 592 N PRO A 54 2.836 27.953 24.651 1.00 23.30 N ATOM 593 CA PRO A 54 2.384 26.585 24.936 1.00 21.73 C ATOM 594 C PRO A 54 3.503 25.539 25.052 1.00 22.36 C ATOM 595 O PRO A 54 4.505 25.555 24.283 1.00 19.48 O ATOM 596 CB PRO A 54 1.432 26.263 23.783 1.00 21.79 C ATOM 597 CG PRO A 54 0.889 27.622 23.402 1.00 21.71 C ATOM 598 CD PRO A 54 2.033 28.578 23.580 1.00 23.24 C ATOM 0 HA PRO A 54 1.969 26.545 25.812 1.00 21.73 H new ATOM 0 HB2 PRO A 54 1.895 25.840 23.042 1.00 21.79 H new ATOM 0 HB3 PRO A 54 0.726 25.658 24.059 1.00 21.79 H new ATOM 0 HG2 PRO A 54 0.570 27.626 22.486 1.00 21.71 H new ATOM 0 HG3 PRO A 54 0.138 27.868 23.965 1.00 21.71 H new ATOM 0 HD2 PRO A 54 2.545 28.680 22.762 1.00 23.24 H new ATOM 0 HD3 PRO A 54 1.724 29.462 23.834 1.00 23.24 H new ATOM 599 N TYR A 55 3.402 24.671 26.048 1.00 22.68 N ATOM 600 CA TYR A 55 4.493 23.782 26.374 1.00 23.42 C ATOM 601 C TYR A 55 4.536 22.623 25.393 1.00 23.61 C ATOM 602 O TYR A 55 3.494 22.066 25.039 1.00 25.37 O ATOM 603 CB TYR A 55 4.334 23.326 27.832 1.00 23.54 C ATOM 604 CG TYR A 55 5.289 22.254 28.263 1.00 26.50 C ATOM 605 CD1 TYR A 55 6.629 22.538 28.555 1.00 30.82 C ATOM 606 CD2 TYR A 55 4.840 20.933 28.376 1.00 30.30 C ATOM 607 CE1 TYR A 55 7.501 21.506 28.962 1.00 30.36 C ATOM 608 CE2 TYR A 55 5.682 19.913 28.779 1.00 31.26 C ATOM 609 CZ TYR A 55 7.011 20.195 29.065 1.00 31.30 C ATOM 610 OH TYR A 55 7.794 19.133 29.458 1.00 32.14 O ATOM 0 H TYR A 55 2.706 24.584 26.546 1.00 22.68 H new ATOM 0 HA TYR A 55 5.345 24.238 26.294 1.00 23.42 H new ATOM 0 HB2 TYR A 55 4.447 24.095 28.412 1.00 23.54 H new ATOM 0 HB3 TYR A 55 3.428 23.005 27.960 1.00 23.54 H new ATOM 0 HD1 TYR A 55 6.945 23.409 28.480 1.00 30.82 H new ATOM 0 HD2 TYR A 55 3.953 20.737 28.175 1.00 30.30 H new ATOM 0 HE1 TYR A 55 8.390 21.693 29.160 1.00 30.36 H new ATOM 0 HE2 TYR A 55 5.360 19.044 28.858 1.00 31.26 H new ATOM 0 HH TYR A 55 7.333 18.431 29.462 1.00 32.14 H new ATOM 611 N LEU A 56 5.729 22.243 24.912 1.00 21.90 N ATOM 612 CA LEU A 56 5.866 21.067 24.055 1.00 22.09 C ATOM 613 C LEU A 56 6.389 19.892 24.889 1.00 22.19 C ATOM 614 O LEU A 56 7.497 19.955 25.435 1.00 24.08 O ATOM 615 CB LEU A 56 6.889 21.351 22.938 1.00 21.36 C ATOM 616 CG LEU A 56 7.003 20.207 21.937 1.00 22.08 C ATOM 617 CD1 LEU A 56 5.760 20.097 21.050 1.00 24.93 C ATOM 618 CD2 LEU A 56 8.270 20.437 21.108 1.00 21.10 C ATOM 0 H LEU A 56 6.467 22.655 25.073 1.00 21.90 H new ATOM 0 HA LEU A 56 5.001 20.856 23.670 1.00 22.09 H new ATOM 0 HB2 LEU A 56 6.634 22.161 22.469 1.00 21.36 H new ATOM 0 HB3 LEU A 56 7.758 21.515 23.335 1.00 21.36 H new ATOM 0 HG LEU A 56 7.064 19.362 22.410 1.00 22.08 H new ATOM 0 HD11 LEU A 56 5.870 19.360 20.428 1.00 24.93 H new ATOM 0 HD12 LEU A 56 4.980 19.938 21.604 1.00 24.93 H new ATOM 0 HD13 LEU A 56 5.642 20.923 20.555 1.00 24.93 H new ATOM 0 HD21 LEU A 56 8.368 19.721 20.461 1.00 21.10 H new ATOM 0 HD22 LEU A 56 8.203 21.286 20.643 1.00 21.10 H new ATOM 0 HD23 LEU A 56 9.043 20.450 21.694 1.00 21.10 H new ATOM 619 N ASP A 57 5.628 18.808 24.954 1.00 25.75 N ATOM 620 CA ASP A 57 6.030 17.629 25.727 1.00 25.98 C ATOM 621 C ASP A 57 6.702 16.688 24.750 1.00 25.46 C ATOM 622 O ASP A 57 6.145 16.335 23.732 1.00 26.14 O ATOM 623 CB ASP A 57 4.798 16.950 26.381 1.00 27.34 C ATOM 624 CG ASP A 57 5.172 15.821 27.363 1.00 31.11 C ATOM 625 OD1 ASP A 57 6.329 15.338 27.392 1.00 29.56 O ATOM 626 OD2 ASP A 57 4.276 15.396 28.132 1.00 37.74 O ATOM 0 H ASP A 57 4.869 18.730 24.557 1.00 25.75 H new ATOM 0 HA ASP A 57 6.630 17.874 26.449 1.00 25.98 H new ATOM 0 HB2 ASP A 57 4.279 17.621 26.852 1.00 27.34 H new ATOM 0 HB3 ASP A 57 4.228 16.588 25.684 1.00 27.34 H new ATOM 627 N VAL A 58 7.935 16.328 25.053 1.00 24.82 N ATOM 628 CA VAL A 58 8.684 15.397 24.225 1.00 24.58 C ATOM 629 C VAL A 58 9.106 14.202 25.066 1.00 25.24 C ATOM 630 O VAL A 58 9.961 13.420 24.669 1.00 26.64 O ATOM 631 CB VAL A 58 9.942 16.074 23.587 1.00 24.85 C ATOM 632 CG1 VAL A 58 9.508 17.256 22.759 1.00 26.40 C ATOM 633 CG2 VAL A 58 10.992 16.486 24.676 1.00 25.41 C ATOM 0 H VAL A 58 8.363 16.614 25.742 1.00 24.82 H new ATOM 0 HA VAL A 58 8.109 15.105 23.500 1.00 24.58 H new ATOM 0 HB VAL A 58 10.383 15.432 23.009 1.00 24.85 H new ATOM 0 HG11 VAL A 58 10.287 17.677 22.363 1.00 26.40 H new ATOM 0 HG12 VAL A 58 8.910 16.957 22.056 1.00 26.40 H new ATOM 0 HG13 VAL A 58 9.048 17.896 23.324 1.00 26.40 H new ATOM 0 HG21 VAL A 58 11.757 16.901 24.248 1.00 25.41 H new ATOM 0 HG22 VAL A 58 10.588 17.114 25.294 1.00 25.41 H new ATOM 0 HG23 VAL A 58 11.282 15.697 25.161 1.00 25.41 H new ATOM 634 N GLY A 59 8.528 14.082 26.252 1.00 24.77 N ATOM 635 CA GLY A 59 8.932 12.975 27.125 1.00 24.03 C ATOM 636 C GLY A 59 10.231 13.313 27.825 1.00 22.93 C ATOM 637 O GLY A 59 10.646 14.492 27.878 1.00 24.70 O ATOM 0 H GLY A 59 7.923 14.605 26.567 1.00 24.77 H new ATOM 0 HA2 GLY A 59 8.239 12.801 27.781 1.00 24.03 H new ATOM 0 HA3 GLY A 59 9.039 12.164 26.603 1.00 24.03 H new ATOM 638 N ARG A 60 10.870 12.300 28.391 1.00 20.91 N ATOM 639 CA ARG A 60 12.057 12.516 29.215 1.00 20.25 C ATOM 640 C ARG A 60 13.274 12.382 28.320 1.00 19.27 C ATOM 641 O ARG A 60 13.505 11.365 27.651 1.00 20.28 O ATOM 642 CB ARG A 60 12.146 11.495 30.357 1.00 21.09 C ATOM 643 CG ARG A 60 13.088 12.010 31.482 1.00 22.84 C ATOM 644 CD ARG A 60 13.527 10.932 32.495 1.00 23.56 C ATOM 645 NE ARG A 60 14.385 9.942 31.847 1.00 25.19 N ATOM 646 CZ ARG A 60 14.004 8.730 31.455 1.00 25.39 C ATOM 647 NH1 ARG A 60 12.763 8.296 31.709 1.00 26.34 N ATOM 648 NH2 ARG A 60 14.879 7.937 30.833 1.00 23.84 N ATOM 0 H ARG A 60 10.635 11.477 28.312 1.00 20.91 H new ATOM 0 HA ARG A 60 12.010 13.398 29.616 1.00 20.25 H new ATOM 0 HB2 ARG A 60 11.261 11.330 30.720 1.00 21.09 H new ATOM 0 HB3 ARG A 60 12.475 10.649 30.016 1.00 21.09 H new ATOM 0 HG2 ARG A 60 13.879 12.395 31.074 1.00 22.84 H new ATOM 0 HG3 ARG A 60 12.640 12.724 31.961 1.00 22.84 H new ATOM 0 HD2 ARG A 60 14.002 11.347 33.232 1.00 23.56 H new ATOM 0 HD3 ARG A 60 12.746 10.496 32.870 1.00 23.56 H new ATOM 0 HE ARG A 60 15.205 10.162 31.708 1.00 25.19 H new ATOM 0 HH11 ARG A 60 12.208 8.802 32.128 1.00 26.34 H new ATOM 0 HH12 ARG A 60 12.521 7.511 31.453 1.00 26.34 H new ATOM 0 HH21 ARG A 60 15.681 8.211 30.689 1.00 23.84 H new ATOM 0 HH22 ARG A 60 14.641 7.152 30.576 1.00 23.84 H new ATOM 649 N ILE A 61 14.072 13.450 28.282 1.00 15.00 N ATOM 650 CA ILE A 61 15.356 13.404 27.590 1.00 13.75 C ATOM 651 C ILE A 61 16.382 13.465 28.677 1.00 11.86 C ATOM 652 O ILE A 61 16.319 14.323 29.572 1.00 13.84 O ATOM 653 CB ILE A 61 15.490 14.626 26.659 1.00 12.95 C ATOM 654 CG1 ILE A 61 14.354 14.688 25.647 1.00 16.28 C ATOM 655 CG2 ILE A 61 16.848 14.621 25.923 1.00 11.98 C ATOM 656 CD1 ILE A 61 14.148 13.482 24.714 1.00 16.38 C ATOM 0 H ILE A 61 13.888 14.206 28.649 1.00 15.00 H new ATOM 0 HA ILE A 61 15.454 12.610 27.042 1.00 13.75 H new ATOM 0 HB ILE A 61 15.442 15.415 27.221 1.00 12.95 H new ATOM 0 HG12 ILE A 61 13.528 14.829 26.136 1.00 16.28 H new ATOM 0 HG13 ILE A 61 14.493 15.472 25.093 1.00 16.28 H new ATOM 0 HG21 ILE A 61 16.906 15.398 25.346 1.00 11.98 H new ATOM 0 HG22 ILE A 61 17.568 14.646 26.572 1.00 11.98 H new ATOM 0 HG23 ILE A 61 16.924 13.815 25.388 1.00 11.98 H new ATOM 0 HD11 ILE A 61 13.397 13.653 24.125 1.00 16.38 H new ATOM 0 HD12 ILE A 61 14.948 13.342 24.184 1.00 16.38 H new ATOM 0 HD13 ILE A 61 13.969 12.690 25.244 1.00 16.38 H new ATOM 657 N ASP A 62 17.384 12.605 28.567 1.00 11.07 N ATOM 658 CA ASP A 62 18.420 12.519 29.603 1.00 10.56 C ATOM 659 C ASP A 62 19.712 13.285 29.363 1.00 10.03 C ATOM 660 O ASP A 62 20.341 13.743 30.317 1.00 11.12 O ATOM 661 CB ASP A 62 18.726 11.049 29.942 1.00 11.45 C ATOM 662 CG ASP A 62 17.518 10.318 30.426 1.00 15.54 C ATOM 663 OD1 ASP A 62 16.888 10.784 31.426 1.00 16.13 O ATOM 664 OD2 ASP A 62 17.195 9.307 29.784 1.00 16.52 O ATOM 0 H ASP A 62 17.488 12.063 27.907 1.00 11.07 H new ATOM 0 HA ASP A 62 18.019 12.979 30.357 1.00 10.56 H new ATOM 0 HB2 ASP A 62 19.078 10.604 29.155 1.00 11.45 H new ATOM 0 HB3 ASP A 62 19.418 11.013 30.621 1.00 11.45 H new ATOM 665 N ALA A 63 20.111 13.409 28.068 1.00 9.78 N ATOM 666 CA ALA A 63 21.303 14.183 27.776 1.00 8.68 C ATOM 667 C ALA A 63 21.140 14.774 26.377 1.00 8.12 C ATOM 668 O ALA A 63 20.284 14.386 25.582 1.00 8.82 O ATOM 669 CB ALA A 63 22.527 13.304 27.848 1.00 11.24 C ATOM 0 H ALA A 63 19.713 13.063 27.388 1.00 9.78 H new ATOM 0 HA ALA A 63 21.417 14.894 28.426 1.00 8.68 H new ATOM 0 HB1 ALA A 63 23.317 13.832 27.651 1.00 11.24 H new ATOM 0 HB2 ALA A 63 22.604 12.928 28.739 1.00 11.24 H new ATOM 0 HB3 ALA A 63 22.449 12.586 27.200 1.00 11.24 H new ATOM 670 N AILE A 64 22.031 15.713 26.088 0.50 8.36 N ATOM 671 N BILE A 64 21.973 15.792 26.150 0.50 8.35 N ATOM 672 CA AILE A 64 22.065 16.422 24.805 0.50 8.66 C ATOM 673 CA BILE A 64 22.131 16.476 24.864 0.50 8.24 C ATOM 674 C AILE A 64 23.483 16.395 24.308 0.50 7.34 C ATOM 675 C BILE A 64 23.550 16.236 24.359 0.50 6.96 C ATOM 676 O AILE A 64 24.383 16.873 25.017 0.50 7.52 O ATOM 677 O BILE A 64 24.536 16.378 25.095 0.50 7.61 O ATOM 678 CB AILE A 64 21.642 17.864 24.972 0.50 9.29 C ATOM 679 CB BILE A 64 21.895 17.989 24.943 0.50 8.77 C ATOM 680 CG1AILE A 64 20.145 17.883 25.318 0.50 10.11 C ATOM 681 CG1BILE A 64 20.657 18.314 25.776 0.50 9.44 C ATOM 682 CG2AILE A 64 22.105 18.724 23.709 0.50 9.76 C ATOM 683 CG2BILE A 64 21.672 18.519 23.470 0.50 8.35 C ATOM 684 CD1AILE A 64 19.596 19.309 25.527 0.50 13.17 C ATOM 685 CD1BILE A 64 19.359 17.851 25.091 0.50 10.03 C ATOM 0 H AILE A 64 22.644 15.964 26.637 0.50 8.35 H new ATOM 0 H BILE A 64 22.481 16.115 26.764 0.50 8.35 H new ATOM 0 HA AILE A 64 21.457 15.993 24.183 0.50 8.24 H new ATOM 0 HA BILE A 64 21.461 16.113 24.264 0.50 8.24 H new ATOM 0 HB AILE A 64 22.085 18.305 25.713 0.50 8.77 H new ATOM 0 HB BILE A 64 22.661 18.410 25.363 0.50 8.77 H new ATOM 0 HG12AILE A 64 19.648 17.451 24.606 0.50 9.44 H new ATOM 0 HG12BILE A 64 20.732 17.888 26.644 0.50 9.44 H new ATOM 0 HG13AILE A 64 19.997 17.363 26.123 0.50 9.44 H new ATOM 0 HG13BILE A 64 20.616 19.271 25.932 0.50 9.44 H new ATOM 0 HG21AILE A 64 21.829 19.646 23.827 0.50 8.35 H new ATOM 0 HG21BILE A 64 21.520 19.477 23.490 0.50 8.35 H new ATOM 0 HG22AILE A 64 23.071 18.684 23.627 0.50 8.35 H new ATOM 0 HG22BILE A 64 22.458 18.328 22.935 0.50 8.35 H new ATOM 0 HG23AILE A 64 21.697 18.365 22.906 0.50 8.35 H new ATOM 0 HG23BILE A 64 20.901 18.078 23.080 0.50 8.35 H new ATOM 0 HD11AILE A 64 18.651 19.264 25.742 0.50 10.03 H new ATOM 0 HD11BILE A 64 18.599 18.076 25.651 0.50 10.03 H new ATOM 0 HD12AILE A 64 20.073 19.736 26.256 0.50 10.03 H new ATOM 0 HD12BILE A 64 19.270 18.294 24.233 0.50 10.03 H new ATOM 0 HD13AILE A 64 19.718 19.825 24.715 0.50 10.03 H new ATOM 0 HD13BILE A 64 19.388 16.891 24.957 0.50 10.03 H new ATOM 686 N GLY A 65 23.667 15.856 23.090 1.00 7.99 N ATOM 687 CA GLY A 65 25.014 15.770 22.469 1.00 8.88 C ATOM 688 C GLY A 65 25.067 16.704 21.304 1.00 7.82 C ATOM 689 O GLY A 65 24.045 17.077 20.748 1.00 8.63 O ATOM 0 H AGLY A 65 23.032 15.535 22.606 0.50 7.99 H new ATOM 0 H BGLY A 65 23.010 15.647 22.575 0.50 7.99 H new ATOM 0 HA2 GLY A 65 25.698 16.002 23.117 1.00 8.88 H new ATOM 0 HA3 GLY A 65 25.193 14.862 22.180 1.00 8.88 H new ATOM 690 N GLU A 66 26.284 17.051 20.879 1.00 7.65 N ATOM 691 CA GLU A 66 26.387 17.891 19.673 1.00 7.65 C ATOM 692 C GLU A 66 27.749 17.686 19.059 1.00 7.26 C ATOM 693 O GLU A 66 28.762 17.600 19.794 1.00 8.52 O ATOM 694 CB GLU A 66 26.209 19.373 20.059 1.00 8.31 C ATOM 695 CG GLU A 66 26.124 20.312 18.803 1.00 7.46 C ATOM 696 CD GLU A 66 25.656 21.711 19.088 1.00 10.20 C ATOM 697 OE1 GLU A 66 25.332 22.023 20.290 1.00 11.08 O ATOM 698 OE2 GLU A 66 25.590 22.541 18.142 1.00 9.70 O ATOM 0 H GLU A 66 27.028 16.827 21.248 1.00 7.65 H new ATOM 0 HA GLU A 66 25.697 17.646 19.037 1.00 7.65 H new ATOM 0 HB2 GLU A 66 25.403 19.472 20.589 1.00 8.31 H new ATOM 0 HB3 GLU A 66 26.952 19.651 20.618 1.00 8.31 H new ATOM 0 HG2 GLU A 66 27.000 20.356 18.389 1.00 7.46 H new ATOM 0 HG3 GLU A 66 25.524 19.910 18.155 1.00 7.46 H new ATOM 699 N CYS A 67 27.774 17.598 17.735 1.00 7.19 N ATOM 700 CA CYS A 67 28.993 17.449 16.948 1.00 8.24 C ATOM 701 C CYS A 67 29.116 18.586 15.983 1.00 7.49 C ATOM 702 O CYS A 67 28.146 19.005 15.393 1.00 8.26 O ATOM 703 CB CYS A 67 28.906 16.179 16.130 1.00 7.90 C ATOM 704 SG CYS A 67 28.969 14.663 17.139 1.00 11.10 S ATOM 0 H CYS A 67 27.061 17.624 17.255 1.00 7.19 H new ATOM 0 HA CYS A 67 29.752 17.428 17.552 1.00 8.24 H new ATOM 0 HB2 CYS A 67 28.081 16.186 15.620 1.00 7.90 H new ATOM 0 HB3 CYS A 67 29.635 16.164 15.490 1.00 7.90 H new ATOM 0 HG CYS A 67 29.284 13.734 16.447 1.00 11.10 H new ATOM 705 N TRP A 68 30.363 19.035 15.799 1.00 7.97 N ATOM 706 CA TRP A 68 30.764 20.072 14.817 1.00 7.09 C ATOM 707 C TRP A 68 31.725 19.432 13.813 1.00 8.47 C ATOM 708 O TRP A 68 32.733 18.781 14.253 1.00 9.26 O ATOM 709 CB TRP A 68 31.534 21.179 15.525 1.00 7.21 C ATOM 710 CG TRP A 68 30.804 22.165 16.415 1.00 7.37 C ATOM 711 CD1 TRP A 68 30.595 23.485 16.097 1.00 9.83 C ATOM 712 CD2 TRP A 68 30.210 21.941 17.703 1.00 7.33 C ATOM 713 NE1 TRP A 68 29.928 24.130 17.154 1.00 9.22 N ATOM 714 CE2 TRP A 68 29.687 23.181 18.128 1.00 8.26 C ATOM 715 CE3 TRP A 68 30.087 20.830 18.555 1.00 8.18 C ATOM 716 CZ2 TRP A 68 29.020 23.323 19.367 1.00 8.73 C ATOM 717 CZ3 TRP A 68 29.451 21.013 19.799 1.00 8.82 C ATOM 718 CH2 TRP A 68 28.952 22.229 20.183 1.00 8.48 C ATOM 0 H TRP A 68 31.028 18.737 16.256 1.00 7.97 H new ATOM 0 HA TRP A 68 29.972 20.430 14.385 1.00 7.09 H new ATOM 0 HB2 TRP A 68 32.217 20.753 16.067 1.00 7.21 H new ATOM 0 HB3 TRP A 68 31.993 21.693 14.842 1.00 7.21 H new ATOM 0 HD1 TRP A 68 30.855 23.891 15.302 1.00 9.83 H new ATOM 0 HE1 TRP A 68 29.711 24.961 17.188 1.00 9.22 H new ATOM 0 HE3 TRP A 68 30.416 19.997 18.305 1.00 8.18 H new ATOM 0 HZ2 TRP A 68 28.640 24.134 19.618 1.00 8.73 H new ATOM 0 HZ3 TRP A 68 29.368 20.288 20.375 1.00 8.82 H new ATOM 0 HH2 TRP A 68 28.557 22.312 21.021 1.00 8.48 H new ATOM 719 N PHE A 69 31.519 19.691 12.531 1.00 8.01 N ATOM 720 CA PHE A 69 32.457 19.229 11.467 1.00 8.51 C ATOM 721 C PHE A 69 32.782 20.424 10.654 1.00 8.04 C ATOM 722 O PHE A 69 31.908 21.192 10.238 1.00 9.16 O ATOM 723 CB PHE A 69 31.777 18.181 10.604 1.00 9.90 C ATOM 724 CG PHE A 69 31.230 17.037 11.391 1.00 8.68 C ATOM 725 CD1 PHE A 69 32.027 15.954 11.767 1.00 11.98 C ATOM 726 CD2 PHE A 69 29.881 17.084 11.827 1.00 9.61 C ATOM 727 CE1 PHE A 69 31.503 14.904 12.545 1.00 12.64 C ATOM 728 CE2 PHE A 69 29.381 16.006 12.603 1.00 12.12 C ATOM 729 CZ PHE A 69 30.179 14.932 12.945 1.00 11.81 C ATOM 0 H PHE A 69 30.843 20.134 12.237 1.00 8.01 H new ATOM 0 HA PHE A 69 33.257 18.831 11.844 1.00 8.51 H new ATOM 0 HB2 PHE A 69 31.056 18.598 10.107 1.00 9.90 H new ATOM 0 HB3 PHE A 69 32.413 17.844 9.953 1.00 9.90 H new ATOM 0 HD1 PHE A 69 32.917 15.926 11.500 1.00 11.98 H new ATOM 0 HD2 PHE A 69 29.336 17.805 11.609 1.00 9.61 H new ATOM 0 HE1 PHE A 69 32.047 14.191 12.790 1.00 12.64 H new ATOM 0 HE2 PHE A 69 28.496 16.023 12.888 1.00 12.12 H new ATOM 0 HZ PHE A 69 29.827 14.230 13.443 1.00 11.81 H new ATOM 730 N ALA A 70 34.086 20.627 10.419 1.00 8.49 N ATOM 731 CA ALA A 70 34.556 21.846 9.773 1.00 8.69 C ATOM 732 C ALA A 70 34.309 21.930 8.275 1.00 10.97 C ATOM 733 O ALA A 70 34.351 23.043 7.724 1.00 13.65 O ATOM 734 CB ALA A 70 36.069 22.054 10.050 1.00 10.30 C ATOM 0 H ALA A 70 34.707 20.070 10.627 1.00 8.49 H new ATOM 0 HA ALA A 70 34.022 22.552 10.169 1.00 8.69 H new ATOM 0 HB1 ALA A 70 36.369 22.868 9.615 1.00 10.30 H new ATOM 0 HB2 ALA A 70 36.216 22.126 11.006 1.00 10.30 H new ATOM 0 HB3 ALA A 70 36.569 21.299 9.702 1.00 10.30 H new ATOM 735 N SER A 71 34.011 20.809 7.655 1.00 11.95 N ATOM 736 CA SER A 71 33.786 20.795 6.198 1.00 13.05 C ATOM 737 C SER A 71 33.110 19.511 5.806 1.00 14.19 C ATOM 738 O SER A 71 33.055 18.534 6.585 1.00 12.50 O ATOM 739 CB SER A 71 35.134 20.874 5.477 1.00 14.34 C ATOM 740 OG SER A 71 35.890 19.681 5.702 1.00 14.95 O ATOM 0 H SER A 71 33.931 20.045 8.041 1.00 11.95 H new ATOM 0 HA SER A 71 33.230 21.551 5.954 1.00 13.05 H new ATOM 0 HB2 SER A 71 34.992 20.999 4.526 1.00 14.34 H new ATOM 0 HB3 SER A 71 35.632 21.644 5.793 1.00 14.34 H new ATOM 0 HG SER A 71 36.660 19.771 5.378 1.00 14.95 H new ATOM 741 N AGLU A 72 32.611 19.452 4.568 0.50 15.63 N ATOM 742 N BGLU A 72 32.657 19.498 4.560 0.50 15.10 N ATOM 743 CA AGLU A 72 32.056 18.190 4.075 0.50 16.85 C ATOM 744 CA BGLU A 72 32.093 18.310 3.976 0.50 16.14 C ATOM 745 C AGLU A 72 33.136 17.104 4.005 0.50 16.17 C ATOM 746 C BGLU A 72 33.107 17.161 3.957 0.50 15.71 C ATOM 747 O AGLU A 72 32.862 15.944 4.345 0.50 16.57 O ATOM 748 O BGLU A 72 32.756 16.027 4.316 0.50 16.38 O ATOM 749 CB AGLU A 72 31.371 18.359 2.704 0.50 19.01 C ATOM 750 CB BGLU A 72 31.587 18.674 2.572 0.50 17.32 C ATOM 751 CG AGLU A 72 32.320 18.451 1.526 0.50 21.91 C ATOM 752 CG BGLU A 72 30.474 19.700 2.677 0.50 18.64 C ATOM 753 CD AGLU A 72 32.326 17.213 0.633 0.50 27.35 C ATOM 754 CD BGLU A 72 29.690 19.922 1.402 0.50 22.47 C ATOM 755 OE1AGLU A 72 31.478 17.161 -0.294 0.50 30.35 O ATOM 756 OE1BGLU A 72 30.121 19.432 0.340 0.50 22.24 O ATOM 757 OE2AGLU A 72 33.174 16.305 0.839 0.50 31.10 O ATOM 758 OE2BGLU A 72 28.660 20.632 1.470 0.50 24.18 O ATOM 0 H AGLU A 72 32.584 20.109 4.014 0.50 15.10 H new ATOM 0 H BGLU A 72 32.671 20.180 4.036 0.50 15.10 H new ATOM 0 HA AGLU A 72 31.378 17.911 4.710 0.50 16.14 H new ATOM 0 HA BGLU A 72 31.350 17.989 4.510 0.50 16.14 H new ATOM 0 HB2AGLU A 72 30.771 17.610 2.562 0.50 17.32 H new ATOM 0 HB2BGLU A 72 32.315 19.028 2.038 0.50 17.32 H new ATOM 0 HB3AGLU A 72 30.825 19.160 2.726 0.50 17.32 H new ATOM 0 HB3BGLU A 72 31.264 17.879 2.119 0.50 17.32 H new ATOM 0 HG2AGLU A 72 32.081 19.223 0.990 0.50 18.64 H new ATOM 0 HG2BGLU A 72 29.860 19.422 3.374 0.50 18.64 H new ATOM 0 HG3AGLU A 72 33.219 18.603 1.858 0.50 18.64 H new ATOM 0 HG3BGLU A 72 30.857 20.546 2.957 0.50 18.64 H new ATOM 759 N GLU A 73 34.353 17.461 3.599 1.00 16.88 N ATOM 760 CA GLU A 73 35.425 16.439 3.508 1.00 15.54 C ATOM 761 C GLU A 73 35.718 15.844 4.904 1.00 15.65 C ATOM 762 O GLU A 73 35.994 14.656 5.036 1.00 15.36 O ATOM 763 CB GLU A 73 36.720 16.980 2.885 1.00 16.76 C ATOM 764 CG GLU A 73 36.607 17.455 1.397 1.00 19.28 C ATOM 765 CD GLU A 73 36.260 18.951 1.232 1.00 20.18 C ATOM 766 OE1 GLU A 73 35.849 19.645 2.196 1.00 19.33 O ATOM 767 OE2 GLU A 73 36.459 19.489 0.126 1.00 15.95 O ATOM 0 H AGLU A 73 34.584 18.259 3.376 0.50 16.88 H new ATOM 0 H BGLU A 73 34.611 18.257 3.400 0.50 16.88 H new ATOM 0 HA GLU A 73 35.096 15.744 2.916 1.00 15.54 H new ATOM 0 HB2 GLU A 73 37.032 17.724 3.423 1.00 16.76 H new ATOM 0 HB3 GLU A 73 37.398 16.289 2.937 1.00 16.76 H new ATOM 0 HG2 GLU A 73 37.448 17.277 0.947 1.00 19.28 H new ATOM 0 HG3 GLU A 73 35.928 16.925 0.950 1.00 19.28 H new ATOM 768 N GLN A 74 35.635 16.674 5.928 1.00 14.60 N ATOM 769 CA GLN A 74 35.957 16.208 7.273 1.00 14.21 C ATOM 770 C GLN A 74 34.842 15.333 7.784 1.00 14.53 C ATOM 771 O GLN A 74 35.097 14.316 8.417 1.00 13.41 O ATOM 772 CB GLN A 74 36.224 17.366 8.203 1.00 15.21 C ATOM 773 CG GLN A 74 37.550 18.098 7.978 1.00 16.68 C ATOM 774 CD GLN A 74 38.715 17.281 8.316 1.00 20.08 C ATOM 775 OE1 GLN A 74 39.572 17.006 7.464 1.00 26.69 O ATOM 776 NE2 GLN A 74 38.802 16.892 9.573 1.00 18.51 N ATOM 0 H GLN A 74 35.399 17.499 5.873 1.00 14.60 H new ATOM 0 HA GLN A 74 36.771 15.682 7.238 1.00 14.21 H new ATOM 0 HB2 GLN A 74 35.500 18.006 8.114 1.00 15.21 H new ATOM 0 HB3 GLN A 74 36.204 17.039 9.116 1.00 15.21 H new ATOM 0 HG2 GLN A 74 37.610 18.370 7.049 1.00 16.68 H new ATOM 0 HG3 GLN A 74 37.562 18.907 8.512 1.00 16.68 H new ATOM 0 HE21 GLN A 74 38.185 17.105 10.133 1.00 18.51 H new ATOM 0 HE22 GLN A 74 39.476 16.426 9.833 1.00 18.51 H new ATOM 777 N TYR A 75 33.600 15.695 7.499 1.00 13.04 N ATOM 778 CA TYR A 75 32.495 14.878 7.845 1.00 16.19 C ATOM 779 C TYR A 75 32.667 13.505 7.212 1.00 16.85 C ATOM 780 O TYR A 75 32.444 12.507 7.868 1.00 16.17 O ATOM 781 CB TYR A 75 31.184 15.537 7.405 1.00 16.61 C ATOM 782 CG TYR A 75 29.990 14.714 7.768 1.00 15.46 C ATOM 783 CD1 TYR A 75 29.527 14.607 9.110 1.00 14.99 C ATOM 784 CD2 TYR A 75 29.281 13.988 6.789 1.00 19.71 C ATOM 785 CE1 TYR A 75 28.423 13.813 9.442 1.00 20.80 C ATOM 786 CE2 TYR A 75 28.160 13.218 7.124 1.00 23.86 C ATOM 787 CZ TYR A 75 27.743 13.135 8.445 1.00 22.58 C ATOM 788 OH TYR A 75 26.642 12.363 8.805 1.00 24.93 O ATOM 0 H TYR A 75 33.391 16.427 7.098 1.00 13.04 H new ATOM 0 HA TYR A 75 32.457 14.772 8.808 1.00 16.19 H new ATOM 0 HB2 TYR A 75 31.109 16.412 7.817 1.00 16.61 H new ATOM 0 HB3 TYR A 75 31.200 15.676 6.445 1.00 16.61 H new ATOM 0 HD1 TYR A 75 29.968 15.075 9.782 1.00 14.99 H new ATOM 0 HD2 TYR A 75 29.563 14.021 5.903 1.00 19.71 H new ATOM 0 HE1 TYR A 75 28.148 13.741 10.327 1.00 20.80 H new ATOM 0 HE2 TYR A 75 27.695 12.762 6.460 1.00 23.86 H new ATOM 0 HH TYR A 75 26.200 12.167 8.118 1.00 24.93 H new ATOM 789 N GLN A 76 33.119 13.480 5.950 1.00 16.68 N ATOM 790 CA GLN A 76 33.365 12.168 5.289 1.00 17.34 C ATOM 791 C GLN A 76 34.490 11.352 5.922 1.00 15.65 C ATOM 792 O GLN A 76 34.322 10.156 6.080 1.00 17.86 O ATOM 793 CB GLN A 76 33.561 12.374 3.775 1.00 18.40 C ATOM 794 CG GLN A 76 32.256 12.792 3.084 1.00 22.96 C ATOM 795 CD GLN A 76 31.041 11.842 3.364 1.00 28.78 C ATOM 796 OE1 GLN A 76 29.900 12.302 3.487 1.00 35.12 O ATOM 797 NE2 GLN A 76 31.299 10.523 3.458 1.00 29.14 N ATOM 0 H GLN A 76 33.286 14.174 5.470 1.00 16.68 H new ATOM 0 HA GLN A 76 32.574 11.624 5.430 1.00 17.34 H new ATOM 0 HB2 GLN A 76 34.238 13.052 3.626 1.00 18.40 H new ATOM 0 HB3 GLN A 76 33.890 11.553 3.377 1.00 18.40 H new ATOM 0 HG2 GLN A 76 32.024 13.689 3.371 1.00 22.96 H new ATOM 0 HG3 GLN A 76 32.408 12.831 2.127 1.00 22.96 H new ATOM 0 HE21 GLN A 76 32.104 10.235 3.368 1.00 29.14 H new ATOM 0 HE22 GLN A 76 30.658 9.969 3.608 1.00 29.14 H new ATOM 798 N VAL A 77 35.589 11.973 6.336 1.00 15.92 N ATOM 799 CA VAL A 77 36.664 11.312 7.042 1.00 17.16 C ATOM 800 C VAL A 77 36.055 10.637 8.305 1.00 17.50 C ATOM 801 O VAL A 77 36.270 9.455 8.556 1.00 18.82 O ATOM 802 CB VAL A 77 37.781 12.264 7.449 1.00 16.79 C ATOM 803 CG1 VAL A 77 38.707 11.572 8.398 1.00 18.92 C ATOM 804 CG2 VAL A 77 38.618 12.718 6.161 1.00 17.70 C ATOM 0 H VAL A 77 35.728 12.812 6.208 1.00 15.92 H new ATOM 0 HA VAL A 77 37.068 10.660 6.448 1.00 17.16 H new ATOM 0 HB VAL A 77 37.386 13.042 7.872 1.00 16.79 H new ATOM 0 HG11 VAL A 77 39.418 12.179 8.657 1.00 18.92 H new ATOM 0 HG12 VAL A 77 38.215 11.296 9.187 1.00 18.92 H new ATOM 0 HG13 VAL A 77 39.089 10.792 7.966 1.00 18.92 H new ATOM 0 HG21 VAL A 77 39.326 13.323 6.432 1.00 17.70 H new ATOM 0 HG22 VAL A 77 39.006 11.937 5.735 1.00 17.70 H new ATOM 0 HG23 VAL A 77 38.030 13.168 5.535 1.00 17.70 H new ATOM 805 N TYR A 78 35.294 11.411 9.072 1.00 16.34 N ATOM 806 CA TYR A 78 34.558 10.862 10.222 1.00 16.78 C ATOM 807 C TYR A 78 33.636 9.725 9.859 1.00 17.32 C ATOM 808 O TYR A 78 33.725 8.664 10.488 1.00 18.58 O ATOM 809 CB TYR A 78 33.769 12.026 10.839 1.00 15.74 C ATOM 810 CG TYR A 78 32.674 11.717 11.832 1.00 14.13 C ATOM 811 CD1 TYR A 78 32.978 11.540 13.176 1.00 13.27 C ATOM 812 CD2 TYR A 78 31.318 11.692 11.420 1.00 13.91 C ATOM 813 CE1 TYR A 78 31.944 11.357 14.108 1.00 16.21 C ATOM 814 CE2 TYR A 78 30.283 11.537 12.331 1.00 14.73 C ATOM 815 CZ TYR A 78 30.650 11.321 13.638 1.00 15.59 C ATOM 816 OH TYR A 78 29.618 11.147 14.530 1.00 18.07 O ATOM 0 H TYR A 78 35.187 12.255 8.949 1.00 16.34 H new ATOM 0 HA TYR A 78 35.191 10.480 10.850 1.00 16.78 H new ATOM 0 HB2 TYR A 78 34.405 12.613 11.277 1.00 15.74 H new ATOM 0 HB3 TYR A 78 33.372 12.530 10.111 1.00 15.74 H new ATOM 0 HD1 TYR A 78 33.864 11.543 13.458 1.00 13.27 H new ATOM 0 HD2 TYR A 78 31.117 11.782 10.516 1.00 13.91 H new ATOM 0 HE1 TYR A 78 32.127 11.263 15.015 1.00 16.21 H new ATOM 0 HE2 TYR A 78 29.391 11.577 12.072 1.00 14.73 H new ATOM 0 HH TYR A 78 29.397 10.337 14.549 1.00 18.07 H new ATOM 817 N MET A 79 32.751 9.901 8.891 1.00 17.81 N ATOM 818 CA AMET A 79 31.821 8.839 8.497 0.50 20.76 C ATOM 819 CA BMET A 79 31.831 8.835 8.479 0.50 20.88 C ATOM 820 C MET A 79 32.526 7.544 8.072 1.00 22.27 C ATOM 821 O MET A 79 31.975 6.445 8.258 1.00 23.38 O ATOM 822 CB AMET A 79 30.892 9.304 7.370 0.50 20.73 C ATOM 823 CB BMET A 79 30.953 9.283 7.316 0.50 20.83 C ATOM 824 CG AMET A 79 29.939 10.444 7.745 0.50 20.99 C ATOM 825 CG BMET A 79 29.724 10.025 7.751 0.50 21.96 C ATOM 826 SD AMET A 79 28.690 9.969 8.972 0.50 22.68 S ATOM 827 SD BMET A 79 29.103 9.425 9.344 0.50 22.40 S ATOM 828 CE AMET A 79 28.142 8.377 8.301 0.50 20.14 C ATOM 829 CE BMET A 79 27.343 9.634 9.037 0.50 26.67 C ATOM 0 H AMET A 79 32.668 10.631 8.443 0.50 17.81 H new ATOM 0 H BMET A 79 32.661 10.635 8.452 0.50 17.81 H new ATOM 0 HA AMET A 79 31.300 8.642 9.291 0.50 20.88 H new ATOM 0 HA BMET A 79 31.296 8.654 9.268 0.50 20.88 H new ATOM 0 HB2AMET A 79 31.435 9.589 6.618 0.50 20.83 H new ATOM 0 HB2BMET A 79 31.474 9.850 6.726 0.50 20.83 H new ATOM 0 HB3AMET A 79 30.366 8.546 7.069 0.50 20.83 H new ATOM 0 HB3BMET A 79 30.688 8.505 6.801 0.50 20.83 H new ATOM 0 HG2AMET A 79 30.456 11.188 8.092 0.50 21.96 H new ATOM 0 HG2BMET A 79 29.925 10.972 7.818 0.50 21.96 H new ATOM 0 HG3AMET A 79 29.492 10.759 6.944 0.50 21.96 H new ATOM 0 HG3BMET A 79 29.033 9.929 7.077 0.50 21.96 H new ATOM 0 HE1AMET A 79 27.258 8.169 8.642 0.50 26.67 H new ATOM 0 HE1BMET A 79 26.955 10.183 9.737 0.50 26.67 H new ATOM 0 HE2AMET A 79 28.112 8.427 7.333 0.50 26.67 H new ATOM 0 HE2BMET A 79 27.213 10.066 8.178 0.50 26.67 H new ATOM 0 HE3AMET A 79 28.763 7.682 8.569 0.50 26.67 H new ATOM 0 HE3BMET A 79 26.910 8.766 9.030 0.50 26.67 H new ATOM 830 N GLU A 80 33.732 7.653 7.518 1.00 23.29 N ATOM 831 CA GLU A 80 34.443 6.443 7.071 1.00 25.64 C ATOM 832 C GLU A 80 35.324 5.807 8.143 1.00 26.12 C ATOM 833 O GLU A 80 35.800 4.688 7.951 1.00 27.04 O ATOM 834 CB GLU A 80 35.314 6.795 5.845 1.00 25.92 C ATOM 835 CG GLU A 80 34.525 7.171 4.601 1.00 29.81 C ATOM 836 CD GLU A 80 35.380 7.841 3.497 1.00 37.28 C ATOM 837 OE1 GLU A 80 36.535 8.246 3.760 1.00 39.27 O ATOM 838 OE2 GLU A 80 34.877 7.993 2.360 1.00 40.91 O ATOM 0 H GLU A 80 34.151 8.393 7.392 1.00 23.29 H new ATOM 0 HA GLU A 80 33.762 5.788 6.852 1.00 25.64 H new ATOM 0 HB2 GLU A 80 35.899 7.533 6.079 1.00 25.92 H new ATOM 0 HB3 GLU A 80 35.882 6.037 5.637 1.00 25.92 H new ATOM 0 HG2 GLU A 80 34.111 6.373 4.238 1.00 29.81 H new ATOM 0 HG3 GLU A 80 33.808 7.773 4.853 1.00 29.81 H new ATOM 839 N ASER A 81 35.543 6.511 9.246 0.50 25.44 N ATOM 840 N BSER A 81 35.526 6.495 9.269 0.50 26.00 N ATOM 841 CA ASER A 81 36.508 6.098 10.234 0.50 25.50 C ATOM 842 CA BSER A 81 36.535 6.106 10.250 0.50 26.69 C ATOM 843 C ASER A 81 36.086 4.864 11.042 0.50 26.15 C ATOM 844 C BSER A 81 36.176 4.948 11.191 0.50 26.77 C ATOM 845 O ASER A 81 34.936 4.749 11.499 0.50 25.83 O ATOM 846 O BSER A 81 35.177 4.974 11.917 0.50 26.33 O ATOM 847 CB ASER A 81 36.842 7.269 11.152 0.50 24.89 C ATOM 848 CB BSER A 81 37.010 7.307 11.067 0.50 26.32 C ATOM 849 OG ASER A 81 37.687 6.890 12.220 0.50 23.48 O ATOM 850 OG BSER A 81 36.150 7.579 12.164 0.50 29.19 O ATOM 0 H ASER A 81 35.132 7.242 9.437 0.50 26.00 H new ATOM 0 H BSER A 81 35.081 7.199 9.483 0.50 26.00 H new ATOM 0 HA ASER A 81 37.302 5.824 9.749 0.50 26.69 H new ATOM 0 HA BSER A 81 37.251 5.759 9.695 0.50 26.69 H new ATOM 0 HB2ASER A 81 37.271 7.970 10.636 0.50 26.32 H new ATOM 0 HB2BSER A 81 37.907 7.139 11.395 0.50 26.32 H new ATOM 0 HB3ASER A 81 36.021 7.642 11.509 0.50 26.32 H new ATOM 0 HB3BSER A 81 37.058 8.088 10.494 0.50 26.32 H new ATOM 0 HG ASER A 81 38.428 6.637 11.915 0.50 29.19 H new ATOM 0 HG BSER A 81 36.441 8.242 12.590 0.50 29.19 H new ATOM 851 N ASP A 82 37.034 3.936 11.190 1.00 27.37 N ATOM 852 CA ASP A 82 36.894 2.802 12.109 1.00 28.40 C ATOM 853 C ASP A 82 36.765 3.258 13.547 1.00 27.18 C ATOM 854 O ASP A 82 36.040 2.638 14.325 1.00 27.30 O ATOM 855 CB ASP A 82 38.099 1.852 11.966 1.00 30.42 C ATOM 856 CG ASP A 82 38.006 1.003 10.731 1.00 35.71 C ATOM 857 OD1 ASP A 82 36.881 0.885 10.189 1.00 39.49 O ATOM 858 OD2 ASP A 82 39.052 0.467 10.297 1.00 40.31 O ATOM 0 H AASP A 82 37.778 3.946 10.759 0.50 27.37 H new ATOM 0 H BASP A 82 37.711 3.883 10.662 0.50 27.37 H new ATOM 0 HA ASP A 82 36.080 2.331 11.872 1.00 28.40 H new ATOM 0 HB2 ASP A 82 38.918 2.372 11.939 1.00 30.42 H new ATOM 0 HB3 ASP A 82 38.152 1.280 12.747 1.00 30.42 H new ATOM 859 N AILE A 83 37.477 4.337 13.874 0.50 26.01 N ATOM 860 N BILE A 83 37.457 4.348 13.900 0.50 27.20 N ATOM 861 CA AILE A 83 37.473 4.913 15.221 0.50 24.20 C ATOM 862 CA BILE A 83 37.431 4.859 15.287 0.50 26.58 C ATOM 863 C AILE A 83 36.095 5.465 15.624 0.50 23.95 C ATOM 864 C BILE A 83 36.119 5.558 15.668 0.50 25.29 C ATOM 865 O AILE A 83 35.667 5.308 16.780 0.50 22.75 O ATOM 866 O BILE A 83 35.767 5.598 16.861 0.50 24.22 O ATOM 867 CB AILE A 83 38.572 5.953 15.389 0.50 24.12 C ATOM 868 CB BILE A 83 38.668 5.710 15.654 0.50 27.34 C ATOM 869 CG1AILE A 83 39.937 5.253 15.345 0.50 22.67 C ATOM 870 CG1BILE A 83 38.322 7.190 15.809 0.50 28.81 C ATOM 871 CG2AILE A 83 38.419 6.647 16.717 0.50 21.19 C ATOM 872 CG2BILE A 83 39.798 5.469 14.662 0.50 27.54 C ATOM 873 CD1AILE A 83 41.104 6.183 15.312 0.50 20.77 C ATOM 874 CD1BILE A 83 37.482 7.510 17.014 0.50 28.16 C ATOM 0 H AILE A 83 37.979 4.758 13.317 0.50 27.20 H new ATOM 0 H BILE A 83 37.945 4.806 13.360 0.50 27.20 H new ATOM 0 HA AILE A 83 37.665 4.186 15.834 0.50 26.58 H new ATOM 0 HA BILE A 83 37.476 4.060 15.835 0.50 26.58 H new ATOM 0 HB AILE A 83 38.509 6.606 14.674 0.50 27.34 H new ATOM 0 HB BILE A 83 38.983 5.422 16.525 0.50 27.34 H new ATOM 0 HG12AILE A 83 40.018 4.677 16.121 0.50 28.81 H new ATOM 0 HG12BILE A 83 39.146 7.700 15.858 0.50 28.81 H new ATOM 0 HG13AILE A 83 39.970 4.681 14.562 0.50 28.81 H new ATOM 0 HG13BILE A 83 37.852 7.486 15.013 0.50 28.81 H new ATOM 0 HG21AILE A 83 39.121 7.308 16.819 0.50 27.54 H new ATOM 0 HG21BILE A 83 40.565 6.010 14.907 0.50 27.54 H new ATOM 0 HG22AILE A 83 37.554 7.085 16.756 0.50 27.54 H new ATOM 0 HG22BILE A 83 40.047 4.531 14.676 0.50 27.54 H new ATOM 0 HG23AILE A 83 38.483 5.995 17.432 0.50 27.54 H new ATOM 0 HG23BILE A 83 39.503 5.712 13.770 0.50 27.54 H new ATOM 0 HD11AILE A 83 41.927 5.670 15.285 0.50 28.16 H new ATOM 0 HD11BILE A 83 37.306 8.463 17.042 0.50 28.16 H new ATOM 0 HD12AILE A 83 41.048 6.745 14.523 0.50 28.16 H new ATOM 0 HD12BILE A 83 36.642 7.028 16.960 0.50 28.16 H new ATOM 0 HD13AILE A 83 41.097 6.740 16.106 0.50 28.16 H new ATOM 0 HD13BILE A 83 37.955 7.245 17.818 0.50 28.16 H new ATOM 875 N ARG A 84 35.401 6.088 14.669 1.00 23.43 N ATOM 876 CA ARG A 84 34.010 6.531 14.867 1.00 22.09 C ATOM 877 C ARG A 84 33.140 5.286 15.071 1.00 22.70 C ATOM 878 O ARG A 84 32.225 5.265 15.894 1.00 20.31 O ATOM 879 CB ARG A 84 33.482 7.325 13.671 1.00 22.13 C ATOM 880 CG ARG A 84 32.022 7.780 13.896 1.00 21.64 C ATOM 881 CD ARG A 84 31.298 8.197 12.608 1.00 23.95 C ATOM 882 NE ARG A 84 31.425 7.134 11.632 1.00 22.53 N ATOM 883 CZ ARG A 84 30.634 6.073 11.567 1.00 30.27 C ATOM 884 NH1 ARG A 84 29.608 5.937 12.426 1.00 26.87 N ATOM 885 NH2 ARG A 84 30.879 5.151 10.628 1.00 29.45 N ATOM 0 H AARG A 84 35.719 6.267 13.890 0.50 23.43 H new ATOM 0 H BARG A 84 35.699 6.200 13.870 0.50 23.43 H new ATOM 0 HA ARG A 84 33.979 7.117 15.639 1.00 22.09 H new ATOM 0 HB2 ARG A 84 34.045 8.101 13.522 1.00 22.13 H new ATOM 0 HB3 ARG A 84 33.533 6.779 12.871 1.00 22.13 H new ATOM 0 HG2 ARG A 84 31.528 7.058 14.316 1.00 21.64 H new ATOM 0 HG3 ARG A 84 32.016 8.526 14.516 1.00 21.64 H new ATOM 0 HD2 ARG A 84 30.362 8.373 12.792 1.00 23.95 H new ATOM 0 HD3 ARG A 84 31.679 9.019 12.260 1.00 23.95 H new ATOM 0 HE ARG A 84 32.059 7.196 11.054 1.00 22.53 H new ATOM 0 HH11 ARG A 84 29.463 6.540 13.021 1.00 26.87 H new ATOM 0 HH12 ARG A 84 29.097 5.247 12.380 1.00 26.87 H new ATOM 0 HH21 ARG A 84 31.537 5.255 10.085 1.00 29.45 H new ATOM 0 HH22 ARG A 84 30.378 4.455 10.568 1.00 29.45 H new ATOM 886 N ALYS A 85 33.426 4.237 14.307 0.50 22.21 N ATOM 887 N BLYS A 85 33.445 4.232 14.319 0.50 22.43 N ATOM 888 CA ALYS A 85 32.615 3.033 14.394 0.50 22.38 C ATOM 889 CA BLYS A 85 32.633 3.034 14.405 0.50 22.86 C ATOM 890 C ALYS A 85 32.710 2.420 15.800 0.50 21.91 C ATOM 891 C BLYS A 85 32.704 2.444 15.813 0.50 22.16 C ATOM 892 O ALYS A 85 31.713 1.985 16.347 0.50 22.71 O ATOM 893 O BLYS A 85 31.700 2.023 16.362 0.50 22.86 O ATOM 894 CB ALYS A 85 32.986 2.059 13.272 0.50 22.29 C ATOM 895 CB BLYS A 85 33.057 2.002 13.367 0.50 22.93 C ATOM 896 CG ALYS A 85 32.466 2.549 11.938 0.50 21.83 C ATOM 897 CG BLYS A 85 31.869 1.221 12.912 0.50 24.15 C ATOM 898 CD ALYS A 85 32.832 1.617 10.800 0.50 26.22 C ATOM 899 CD BLYS A 85 31.199 1.948 11.753 0.50 26.70 C ATOM 900 CE ALYS A 85 32.198 2.118 9.496 0.50 26.31 C ATOM 901 CE BLYS A 85 31.938 1.638 10.434 0.50 29.04 C ATOM 902 NZ ALYS A 85 32.876 1.549 8.290 0.50 27.87 N ATOM 903 NZ BLYS A 85 33.423 1.976 10.479 0.50 30.34 N ATOM 0 H ALYS A 85 34.074 4.203 13.742 0.50 22.43 H new ATOM 0 H BLYS A 85 34.103 4.193 13.766 0.50 22.43 H new ATOM 0 HA ALYS A 85 31.681 3.257 14.261 0.50 22.86 H new ATOM 0 HA BLYS A 85 31.714 3.280 14.217 0.50 22.86 H new ATOM 0 HB2ALYS A 85 33.950 1.959 13.231 0.50 22.93 H new ATOM 0 HB2BLYS A 85 33.472 2.445 12.610 0.50 22.93 H new ATOM 0 HB3ALYS A 85 32.618 1.182 13.465 0.50 22.93 H new ATOM 0 HB3BLYS A 85 33.721 1.405 13.746 0.50 22.93 H new ATOM 0 HG2ALYS A 85 31.501 2.638 11.982 0.50 24.15 H new ATOM 0 HG2BLYS A 85 32.141 0.332 12.635 0.50 24.15 H new ATOM 0 HG3ALYS A 85 32.825 3.432 11.758 0.50 24.15 H new ATOM 0 HG3BLYS A 85 31.242 1.111 13.644 0.50 24.15 H new ATOM 0 HD2ALYS A 85 33.796 1.572 10.705 0.50 26.70 H new ATOM 0 HD2BLYS A 85 30.271 1.675 11.684 0.50 26.70 H new ATOM 0 HD3ALYS A 85 32.524 0.718 10.995 0.50 26.70 H new ATOM 0 HD3BLYS A 85 31.202 2.904 11.917 0.50 26.70 H new ATOM 0 HE2ALYS A 85 31.258 1.878 9.481 0.50 29.04 H new ATOM 0 HE2BLYS A 85 31.834 0.696 10.226 0.50 29.04 H new ATOM 0 HE3ALYS A 85 32.244 3.086 9.466 0.50 29.04 H new ATOM 0 HE3BLYS A 85 31.522 2.136 9.713 0.50 29.04 H new ATOM 0 HZ1ALYS A 85 32.484 1.860 7.554 0.50 30.34 H new ATOM 0 HZ1BLYS A 85 33.744 2.016 9.650 0.50 30.34 H new ATOM 0 HZ2ALYS A 85 33.734 1.787 8.291 0.50 30.34 H new ATOM 0 HZ2BLYS A 85 33.537 2.763 10.879 0.50 30.34 H new ATOM 0 HZ3ALYS A 85 32.815 0.661 8.306 0.50 30.34 H new ATOM 0 HZ3BLYS A 85 33.857 1.347 10.935 0.50 30.34 H new ATOM 904 N ALA A 86 33.889 2.485 16.408 1.00 22.45 N ATOM 905 CA ALA A 86 34.086 1.984 17.773 1.00 21.92 C ATOM 906 C ALA A 86 33.353 2.926 18.776 1.00 21.49 C ATOM 907 O ALA A 86 32.782 2.494 19.781 1.00 22.36 O ATOM 908 CB ALA A 86 35.536 1.885 18.083 1.00 22.67 C ATOM 0 H AALA A 86 34.596 2.818 16.048 0.50 22.45 H new ATOM 0 H BALA A 86 34.600 2.800 16.040 0.50 22.45 H new ATOM 0 HA ALA A 86 33.710 1.093 17.852 1.00 21.92 H new ATOM 0 HB1 ALA A 86 35.652 1.553 18.987 1.00 22.67 H new ATOM 0 HB2 ALA A 86 35.960 1.276 17.458 1.00 22.67 H new ATOM 0 HB3 ALA A 86 35.944 2.762 18.006 1.00 22.67 H new ATOM 909 N TRP A 87 33.360 4.226 18.501 1.00 19.52 N ATOM 910 CA TRP A 87 32.674 5.182 19.369 1.00 17.05 C ATOM 911 C TRP A 87 31.201 4.880 19.360 1.00 16.54 C ATOM 912 O TRP A 87 30.506 4.844 20.417 1.00 16.86 O ATOM 913 CB TRP A 87 32.941 6.570 18.795 1.00 16.95 C ATOM 914 CG TRP A 87 32.484 7.744 19.661 1.00 14.59 C ATOM 915 CD1 TRP A 87 32.672 7.900 21.020 1.00 15.85 C ATOM 916 CD2 TRP A 87 31.892 8.955 19.183 1.00 15.01 C ATOM 917 NE1 TRP A 87 32.153 9.124 21.410 1.00 13.29 N ATOM 918 CE2 TRP A 87 31.710 9.789 20.285 1.00 14.85 C ATOM 919 CE3 TRP A 87 31.490 9.404 17.920 1.00 16.76 C ATOM 920 CZ2 TRP A 87 31.132 11.071 20.163 1.00 15.68 C ATOM 921 CZ3 TRP A 87 30.900 10.671 17.800 1.00 16.99 C ATOM 922 CH2 TRP A 87 30.722 11.482 18.942 1.00 16.16 C ATOM 0 H TRP A 87 33.753 4.575 17.821 1.00 19.52 H new ATOM 0 HA TRP A 87 32.989 5.130 20.285 1.00 17.05 H new ATOM 0 HB2 TRP A 87 33.894 6.658 18.636 1.00 16.95 H new ATOM 0 HB3 TRP A 87 32.502 6.635 17.933 1.00 16.95 H new ATOM 0 HD1 TRP A 87 33.081 7.283 21.583 1.00 15.85 H new ATOM 0 HE1 TRP A 87 32.114 9.419 22.217 1.00 13.29 H new ATOM 0 HE3 TRP A 87 31.613 8.869 17.169 1.00 16.76 H new ATOM 0 HZ2 TRP A 87 31.035 11.621 20.907 1.00 15.68 H new ATOM 0 HZ3 TRP A 87 30.625 10.978 16.966 1.00 16.99 H new ATOM 0 HH2 TRP A 87 30.316 12.314 18.853 1.00 16.16 H new ATOM 923 N PHE A 88 30.663 4.613 18.183 1.00 16.96 N ATOM 924 CA PHE A 88 29.240 4.270 18.052 1.00 17.01 C ATOM 925 C PHE A 88 28.878 2.917 18.750 1.00 19.44 C ATOM 926 O PHE A 88 27.755 2.744 19.216 1.00 20.20 O ATOM 927 CB PHE A 88 28.786 4.281 16.589 1.00 20.05 C ATOM 928 CG PHE A 88 28.446 5.660 16.032 1.00 19.33 C ATOM 929 CD1 PHE A 88 29.252 6.786 16.241 1.00 19.78 C ATOM 930 CD2 PHE A 88 27.314 5.801 15.238 1.00 20.10 C ATOM 931 CE1 PHE A 88 28.877 8.070 15.640 1.00 20.63 C ATOM 932 CE2 PHE A 88 26.979 7.023 14.632 1.00 23.59 C ATOM 933 CZ PHE A 88 27.760 8.148 14.845 1.00 22.21 C ATOM 0 H PHE A 88 31.098 4.623 17.441 1.00 16.96 H new ATOM 0 HA PHE A 88 28.750 4.964 18.519 1.00 17.01 H new ATOM 0 HB2 PHE A 88 29.487 3.890 16.044 1.00 20.05 H new ATOM 0 HB3 PHE A 88 28.007 3.710 16.502 1.00 20.05 H new ATOM 0 HD1 PHE A 88 30.022 6.720 16.759 1.00 19.78 H new ATOM 0 HD2 PHE A 88 26.762 5.065 15.104 1.00 20.10 H new ATOM 0 HE1 PHE A 88 29.393 8.828 15.796 1.00 20.63 H new ATOM 0 HE2 PHE A 88 26.229 7.078 14.085 1.00 23.59 H new ATOM 0 HZ PHE A 88 27.527 8.957 14.449 1.00 22.21 H new ATOM 934 N GLU A 89 29.837 2.001 18.827 1.00 20.08 N ATOM 935 CA GLU A 89 29.631 0.760 19.582 1.00 21.02 C ATOM 936 C GLU A 89 29.404 1.117 21.043 1.00 20.61 C ATOM 937 O GLU A 89 28.504 0.549 21.689 1.00 20.69 O ATOM 938 CB GLU A 89 30.840 -0.166 19.451 1.00 22.13 C ATOM 939 CG GLU A 89 30.952 -0.850 18.081 1.00 27.51 C ATOM 940 CD GLU A 89 29.670 -1.544 17.691 1.00 33.69 C ATOM 941 OE1 GLU A 89 29.287 -2.512 18.389 1.00 37.32 O ATOM 942 OE2 GLU A 89 29.039 -1.124 16.692 1.00 37.18 O ATOM 0 H GLU A 89 30.609 2.073 18.455 1.00 20.08 H new ATOM 0 HA GLU A 89 28.859 0.292 19.227 1.00 21.02 H new ATOM 0 HB2 GLU A 89 31.648 0.346 19.615 1.00 22.13 H new ATOM 0 HB3 GLU A 89 30.791 -0.847 20.140 1.00 22.13 H new ATOM 0 HG2 GLU A 89 31.179 -0.190 17.408 1.00 27.51 H new ATOM 0 HG3 GLU A 89 31.676 -1.496 18.101 1.00 27.51 H new ATOM 943 N HIS A 90 30.244 2.001 21.583 1.00 18.17 N ATOM 944 CA HIS A 90 29.956 2.540 22.927 1.00 17.46 C ATOM 945 C HIS A 90 28.567 3.217 23.015 1.00 17.36 C ATOM 946 O HIS A 90 27.837 3.000 23.977 1.00 16.96 O ATOM 947 CB HIS A 90 31.097 3.378 23.483 1.00 18.28 C ATOM 948 CG HIS A 90 30.778 3.994 24.811 1.00 17.13 C ATOM 949 ND1 HIS A 90 30.672 3.294 26.002 1.00 21.02 N ATOM 950 CD2 HIS A 90 30.490 5.284 25.116 1.00 12.66 C ATOM 951 CE1 HIS A 90 30.338 4.129 26.982 1.00 13.60 C ATOM 952 NE2 HIS A 90 30.235 5.347 26.468 1.00 19.38 N ATOM 0 H HIS A 90 30.961 2.296 21.210 1.00 18.17 H new ATOM 0 HA HIS A 90 29.898 1.778 23.524 1.00 17.46 H new ATOM 0 HB2 HIS A 90 31.887 2.822 23.571 1.00 18.28 H new ATOM 0 HB3 HIS A 90 31.314 4.080 22.850 1.00 18.28 H new ATOM 0 HD2 HIS A 90 30.469 5.997 24.520 1.00 12.66 H new ATOM 0 HE1 HIS A 90 30.201 3.899 27.873 1.00 13.60 H new ATOM 0 HE2 HIS A 90 30.041 6.060 26.907 1.00 19.38 H new ATOM 953 N GLY A 91 28.188 4.013 22.018 1.00 16.40 N ATOM 954 CA GLY A 91 26.877 4.570 21.988 1.00 16.31 C ATOM 955 C GLY A 91 25.751 3.570 22.088 1.00 18.80 C ATOM 956 O GLY A 91 24.749 3.835 22.763 1.00 18.54 O ATOM 0 H GLY A 91 28.689 4.233 21.355 1.00 16.40 H new ATOM 0 HA2 GLY A 91 26.794 5.203 22.718 1.00 16.31 H new ATOM 0 HA3 GLY A 91 26.773 5.071 21.164 1.00 16.31 H new ATOM 957 N ALYS A 92 25.895 2.417 21.433 0.50 18.98 N ATOM 958 N BLYS A 92 25.922 2.420 21.439 0.50 18.96 N ATOM 959 CA ALYS A 92 24.829 1.412 21.495 0.50 19.61 C ATOM 960 CA BLYS A 92 24.896 1.384 21.466 0.50 19.63 C ATOM 961 C ALYS A 92 24.626 0.870 22.920 0.50 19.25 C ATOM 962 C BLYS A 92 24.651 0.843 22.891 0.50 19.27 C ATOM 963 O ALYS A 92 23.506 0.484 23.293 0.50 19.37 O ATOM 964 O BLYS A 92 23.526 0.449 23.239 0.50 19.41 O ATOM 965 CB ALYS A 92 25.060 0.262 20.498 0.50 20.73 C ATOM 966 CB BLYS A 92 25.237 0.261 20.469 0.50 20.81 C ATOM 967 CG ALYS A 92 24.986 0.658 19.034 0.50 23.37 C ATOM 968 CG BLYS A 92 25.099 0.667 19.006 0.50 23.48 C ATOM 969 CD ALYS A 92 25.156 -0.556 18.115 0.50 25.94 C ATOM 970 CD BLYS A 92 25.828 -0.300 18.074 0.50 26.57 C ATOM 971 CE ALYS A 92 25.568 -0.136 16.693 0.50 27.44 C ATOM 972 CE BLYS A 92 25.361 -0.164 16.603 0.50 27.00 C ATOM 973 NZ ALYS A 92 25.535 -1.264 15.701 0.50 29.63 N ATOM 974 NZ BLYS A 92 26.190 0.710 15.702 0.50 26.97 N ATOM 0 H ALYS A 92 26.580 2.200 20.960 0.50 18.96 H new ATOM 0 H BLYS A 92 26.622 2.222 20.980 0.50 18.96 H new ATOM 0 HA ALYS A 92 24.012 1.866 21.236 0.50 19.63 H new ATOM 0 HA BLYS A 92 24.060 1.787 21.185 0.50 19.63 H new ATOM 0 HB2ALYS A 92 25.932 -0.127 20.670 0.50 20.81 H new ATOM 0 HB2BLYS A 92 26.147 -0.035 20.628 0.50 20.81 H new ATOM 0 HB3ALYS A 92 24.402 -0.431 20.666 0.50 20.81 H new ATOM 0 HB3BLYS A 92 24.658 -0.498 20.640 0.50 20.81 H new ATOM 0 HG2ALYS A 92 24.133 1.084 18.855 0.50 23.48 H new ATOM 0 HG2BLYS A 92 24.159 0.699 18.767 0.50 23.48 H new ATOM 0 HG3ALYS A 92 25.675 1.312 18.839 0.50 23.48 H new ATOM 0 HG3BLYS A 92 25.453 1.562 18.884 0.50 23.48 H new ATOM 0 HD2ALYS A 92 25.827 -1.151 18.485 0.50 26.57 H new ATOM 0 HD2BLYS A 92 26.783 -0.137 18.124 0.50 26.57 H new ATOM 0 HD3ALYS A 92 24.324 -1.054 18.078 0.50 26.57 H new ATOM 0 HD3BLYS A 92 25.680 -1.210 18.375 0.50 26.57 H new ATOM 0 HE2ALYS A 92 24.977 0.570 16.388 0.50 27.00 H new ATOM 0 HE2BLYS A 92 25.327 -1.052 16.214 0.50 27.00 H new ATOM 0 HE3ALYS A 92 26.464 0.235 16.720 0.50 27.00 H new ATOM 0 HE3BLYS A 92 24.454 0.180 16.605 0.50 27.00 H new ATOM 0 HZ1ALYS A 92 25.781 -0.963 14.901 0.50 26.97 H new ATOM 0 HZ1BLYS A 92 25.835 0.717 14.886 0.50 26.97 H new ATOM 0 HZ2ALYS A 92 26.094 -1.905 15.962 0.50 26.97 H new ATOM 0 HZ2BLYS A 92 26.206 1.539 16.025 0.50 26.97 H new ATOM 0 HZ3ALYS A 92 24.709 -1.593 15.652 0.50 26.97 H new ATOM 0 HZ3BLYS A 92 27.020 0.392 15.661 0.50 26.97 H new ATOM 975 N TYR A 93 25.696 0.893 23.703 1.00 18.16 N ATOM 976 CA TYR A 93 25.626 0.439 25.099 1.00 18.29 C ATOM 977 C TYR A 93 24.912 1.414 26.043 1.00 17.76 C ATOM 978 O TYR A 93 24.125 1.009 26.886 1.00 18.59 O ATOM 979 CB TYR A 93 27.011 0.192 25.635 1.00 18.16 C ATOM 980 CG TYR A 93 26.980 -0.205 27.093 1.00 21.37 C ATOM 981 CD1 TYR A 93 26.271 -1.353 27.513 1.00 26.97 C ATOM 982 CD2 TYR A 93 27.648 0.543 28.042 1.00 21.93 C ATOM 983 CE1 TYR A 93 26.247 -1.714 28.836 1.00 26.78 C ATOM 984 CE2 TYR A 93 27.623 0.192 29.390 1.00 25.94 C ATOM 985 CZ TYR A 93 26.923 -0.962 29.773 1.00 27.62 C ATOM 986 OH TYR A 93 26.909 -1.325 31.102 1.00 29.62 O ATOM 0 H ATYR A 93 26.472 1.166 23.453 0.50 18.16 H new ATOM 0 H BTYR A 93 26.468 1.189 23.468 0.50 18.16 H new ATOM 0 HA TYR A 93 25.102 -0.377 25.076 1.00 18.29 H new ATOM 0 HB2 TYR A 93 27.439 -0.508 25.117 1.00 18.16 H new ATOM 0 HB3 TYR A 93 27.548 0.993 25.528 1.00 18.16 H new ATOM 0 HD1 TYR A 93 25.816 -1.869 26.887 1.00 26.97 H new ATOM 0 HD2 TYR A 93 28.124 1.296 27.776 1.00 21.93 H new ATOM 0 HE1 TYR A 93 25.773 -2.469 29.102 1.00 26.78 H new ATOM 0 HE2 TYR A 93 28.062 0.712 30.024 1.00 25.94 H new ATOM 0 HH TYR A 93 26.835 -2.159 31.164 1.00 29.62 H new ATOM 987 N PHE A 94 25.132 2.716 25.891 1.00 16.00 N ATOM 988 CA PHE A 94 24.553 3.628 26.906 1.00 14.56 C ATOM 989 C PHE A 94 23.481 4.561 26.350 1.00 12.68 C ATOM 990 O PHE A 94 22.909 5.325 27.103 1.00 13.56 O ATOM 991 CB PHE A 94 25.646 4.438 27.599 1.00 15.28 C ATOM 992 CG PHE A 94 26.032 5.729 26.848 1.00 12.59 C ATOM 993 CD1 PHE A 94 25.562 6.971 27.314 1.00 13.29 C ATOM 994 CD2 PHE A 94 26.858 5.687 25.690 1.00 15.08 C ATOM 995 CE1 PHE A 94 25.895 8.151 26.650 1.00 13.85 C ATOM 996 CE2 PHE A 94 27.187 6.881 25.013 1.00 16.37 C ATOM 997 CZ PHE A 94 26.689 8.107 25.514 1.00 13.44 C ATOM 0 H PHE A 94 25.581 3.084 25.257 1.00 16.00 H new ATOM 0 HA PHE A 94 24.113 3.055 27.554 1.00 14.56 H new ATOM 0 HB2 PHE A 94 25.348 4.670 28.493 1.00 15.28 H new ATOM 0 HB3 PHE A 94 26.435 3.883 27.698 1.00 15.28 H new ATOM 0 HD1 PHE A 94 25.024 7.005 28.072 1.00 13.29 H new ATOM 0 HD2 PHE A 94 27.181 4.872 25.379 1.00 15.08 H new ATOM 0 HE1 PHE A 94 25.585 8.968 26.969 1.00 13.85 H new ATOM 0 HE2 PHE A 94 27.721 6.862 24.252 1.00 16.37 H new ATOM 0 HZ PHE A 94 26.898 8.899 25.073 1.00 13.44 H new ATOM 998 N ILE A 95 23.198 4.552 25.045 1.00 14.19 N ATOM 999 CA ILE A 95 22.107 5.342 24.504 1.00 15.40 C ATOM 1000 C ILE A 95 20.945 4.444 24.136 1.00 16.07 C ATOM 1001 O ILE A 95 21.035 3.625 23.188 1.00 17.90 O ATOM 1002 CB ILE A 95 22.540 6.155 23.273 1.00 15.25 C ATOM 1003 CG1 ILE A 95 23.695 7.073 23.635 1.00 15.75 C ATOM 1004 CG2 ILE A 95 21.381 6.976 22.780 1.00 16.53 C ATOM 1005 CD1 ILE A 95 24.448 7.630 22.388 1.00 16.57 C ATOM 0 H ILE A 95 23.630 4.092 24.461 1.00 14.19 H new ATOM 0 HA ILE A 95 21.834 5.967 25.193 1.00 15.40 H new ATOM 0 HB ILE A 95 22.827 5.545 22.575 1.00 15.25 H new ATOM 0 HG12 ILE A 95 23.358 7.815 24.161 1.00 15.75 H new ATOM 0 HG13 ILE A 95 24.322 6.589 24.195 1.00 15.75 H new ATOM 0 HG21 ILE A 95 21.655 7.489 22.003 1.00 16.53 H new ATOM 0 HG22 ILE A 95 20.648 6.389 22.537 1.00 16.53 H new ATOM 0 HG23 ILE A 95 21.091 7.581 23.481 1.00 16.53 H new ATOM 0 HD11 ILE A 95 25.172 8.207 22.678 1.00 16.57 H new ATOM 0 HD12 ILE A 95 24.810 6.893 21.872 1.00 16.57 H new ATOM 0 HD13 ILE A 95 23.831 8.137 21.837 1.00 16.57 H new ATOM 1006 N GLY A 96 19.855 4.597 24.872 1.00 14.63 N ATOM 1007 CA GLY A 96 18.638 3.851 24.624 1.00 15.49 C ATOM 1008 C GLY A 96 17.902 4.268 23.344 1.00 17.27 C ATOM 1009 O GLY A 96 17.463 3.437 22.546 1.00 18.83 O ATOM 0 H GLY A 96 19.802 5.142 25.535 1.00 14.63 H new ATOM 0 HA2 GLY A 96 18.854 2.907 24.569 1.00 15.49 H new ATOM 0 HA3 GLY A 96 18.041 3.962 25.380 1.00 15.49 H new ATOM 1010 N GLN A 97 17.722 5.589 23.158 1.00 16.10 N ATOM 1011 CA GLN A 97 16.999 6.147 21.983 1.00 15.75 C ATOM 1012 C GLN A 97 17.670 7.490 21.681 1.00 15.27 C ATOM 1013 O GLN A 97 18.196 8.131 22.589 1.00 14.16 O ATOM 1014 CB GLN A 97 15.557 6.429 22.231 1.00 16.17 C ATOM 1015 CG GLN A 97 14.763 5.255 22.815 1.00 20.18 C ATOM 1016 CD GLN A 97 13.458 5.742 23.415 1.00 24.89 C ATOM 1017 OE1 GLN A 97 13.296 5.800 24.641 1.00 31.08 O ATOM 1018 NE2 GLN A 97 12.535 6.139 22.562 1.00 26.87 N ATOM 0 H GLN A 97 18.012 6.187 23.704 1.00 16.10 H new ATOM 0 HA GLN A 97 17.040 5.494 21.267 1.00 15.75 H new ATOM 0 HB2 GLN A 97 15.488 7.183 22.837 1.00 16.17 H new ATOM 0 HB3 GLN A 97 15.145 6.698 21.395 1.00 16.17 H new ATOM 0 HG2 GLN A 97 14.582 4.602 22.120 1.00 20.18 H new ATOM 0 HG3 GLN A 97 15.290 4.807 23.495 1.00 20.18 H new ATOM 0 HE21 GLN A 97 12.680 6.085 21.716 1.00 26.87 H new ATOM 0 HE22 GLN A 97 11.788 6.452 22.851 1.00 26.87 H new ATOM 1019 N LEU A 98 17.630 7.864 20.406 1.00 14.99 N ATOM 1020 CA LEU A 98 18.407 9.052 19.923 1.00 14.72 C ATOM 1021 C LEU A 98 17.602 9.794 18.897 1.00 13.57 C ATOM 1022 O LEU A 98 17.057 9.164 17.995 1.00 14.10 O ATOM 1023 CB LEU A 98 19.750 8.547 19.286 1.00 17.43 C ATOM 1024 CG LEU A 98 20.751 9.538 18.725 1.00 19.69 C ATOM 1025 CD1 LEU A 98 21.313 10.306 19.844 1.00 22.52 C ATOM 1026 CD2 LEU A 98 21.859 8.765 18.089 1.00 23.72 C ATOM 0 H LEU A 98 17.172 7.463 19.798 1.00 14.99 H new ATOM 0 HA LEU A 98 18.599 9.649 20.663 1.00 14.72 H new ATOM 0 HB2 LEU A 98 20.210 8.026 19.962 1.00 17.43 H new ATOM 0 HB3 LEU A 98 19.516 7.938 18.568 1.00 17.43 H new ATOM 0 HG LEU A 98 20.328 10.129 18.082 1.00 19.69 H new ATOM 0 HD11 LEU A 98 21.957 10.947 19.505 1.00 22.52 H new ATOM 0 HD12 LEU A 98 20.600 10.777 20.304 1.00 22.52 H new ATOM 0 HD13 LEU A 98 21.753 9.702 20.463 1.00 22.52 H new ATOM 0 HD21 LEU A 98 22.513 9.380 17.722 1.00 23.72 H new ATOM 0 HD22 LEU A 98 22.283 8.201 18.754 1.00 23.72 H new ATOM 0 HD23 LEU A 98 21.501 8.212 17.377 1.00 23.72 H new ATOM 1027 N LYS A 99 17.562 11.132 18.959 1.00 11.63 N ATOM 1028 CA LYS A 99 16.991 11.960 17.886 1.00 13.62 C ATOM 1029 C LYS A 99 18.114 12.918 17.406 1.00 12.02 C ATOM 1030 O LYS A 99 18.542 13.793 18.189 1.00 11.32 O ATOM 1031 CB LYS A 99 15.855 12.819 18.445 1.00 14.79 C ATOM 1032 CG LYS A 99 15.379 13.931 17.492 1.00 14.57 C ATOM 1033 CD LYS A 99 14.808 13.377 16.187 1.00 17.57 C ATOM 1034 CE LYS A 99 14.396 14.588 15.309 1.00 19.03 C ATOM 1035 NZ LYS A 99 13.845 14.075 14.026 1.00 21.86 N ATOM 0 H LYS A 99 17.865 11.584 19.625 1.00 11.63 H new ATOM 0 HA LYS A 99 16.654 11.399 17.170 1.00 13.62 H new ATOM 0 HB2 LYS A 99 15.103 12.245 18.657 1.00 14.79 H new ATOM 0 HB3 LYS A 99 16.147 13.223 19.277 1.00 14.79 H new ATOM 0 HG2 LYS A 99 14.703 14.466 17.936 1.00 14.57 H new ATOM 0 HG3 LYS A 99 16.122 14.522 17.292 1.00 14.57 H new ATOM 0 HD2 LYS A 99 15.468 12.832 15.730 1.00 17.57 H new ATOM 0 HD3 LYS A 99 14.043 12.807 16.364 1.00 17.57 H new ATOM 0 HE2 LYS A 99 13.734 15.128 15.768 1.00 19.03 H new ATOM 0 HE3 LYS A 99 15.162 15.160 15.142 1.00 19.03 H new ATOM 0 HZ1 LYS A 99 13.551 14.757 13.535 1.00 21.86 H new ATOM 0 HZ2 LYS A 99 14.483 13.643 13.580 1.00 21.86 H new ATOM 0 HZ3 LYS A 99 13.171 13.518 14.194 1.00 21.86 H new ATOM 1036 N PRO A 100 18.597 12.806 16.164 1.00 11.37 N ATOM 1037 CA PRO A 100 19.508 13.837 15.607 1.00 11.27 C ATOM 1038 C PRO A 100 18.785 14.959 14.864 1.00 11.38 C ATOM 1039 O PRO A 100 17.736 14.741 14.215 1.00 12.56 O ATOM 1040 CB PRO A 100 20.342 13.088 14.580 1.00 12.10 C ATOM 1041 CG PRO A 100 19.650 11.761 14.416 1.00 15.46 C ATOM 1042 CD PRO A 100 18.456 11.629 15.271 1.00 12.46 C ATOM 0 HA PRO A 100 20.003 14.253 16.330 1.00 11.27 H new ATOM 0 HB2 PRO A 100 20.382 13.570 13.739 1.00 12.10 H new ATOM 0 HB3 PRO A 100 21.256 12.973 14.885 1.00 12.10 H new ATOM 0 HG2 PRO A 100 19.392 11.648 13.488 1.00 15.46 H new ATOM 0 HG3 PRO A 100 20.273 11.048 14.626 1.00 15.46 H new ATOM 0 HD2 PRO A 100 17.634 11.658 14.757 1.00 12.46 H new ATOM 0 HD3 PRO A 100 18.452 10.794 15.765 1.00 12.46 H new ATOM 1043 N PHE A 101 19.297 16.159 15.003 1.00 9.92 N ATOM 1044 CA PHE A 101 18.837 17.326 14.223 1.00 10.03 C ATOM 1045 C PHE A 101 20.041 17.911 13.545 1.00 9.18 C ATOM 1046 O PHE A 101 21.012 18.356 14.199 1.00 10.96 O ATOM 1047 CB PHE A 101 18.300 18.450 15.111 1.00 11.13 C ATOM 1048 CG PHE A 101 17.178 18.102 16.002 1.00 11.04 C ATOM 1049 CD1 PHE A 101 15.879 17.997 15.513 1.00 11.76 C ATOM 1050 CD2 PHE A 101 17.399 18.009 17.370 1.00 13.74 C ATOM 1051 CE1 PHE A 101 14.829 17.745 16.357 1.00 15.62 C ATOM 1052 CE2 PHE A 101 16.329 17.798 18.255 1.00 14.30 C ATOM 1053 CZ PHE A 101 15.058 17.633 17.723 1.00 16.54 C ATOM 0 H PHE A 101 19.931 16.340 15.556 1.00 9.92 H new ATOM 0 HA PHE A 101 18.139 17.020 13.622 1.00 10.03 H new ATOM 0 HB2 PHE A 101 19.030 18.781 15.657 1.00 11.13 H new ATOM 0 HB3 PHE A 101 18.019 19.181 14.539 1.00 11.13 H new ATOM 0 HD1 PHE A 101 15.722 18.099 14.602 1.00 11.76 H new ATOM 0 HD2 PHE A 101 18.264 18.087 17.703 1.00 13.74 H new ATOM 0 HE1 PHE A 101 13.968 17.650 16.018 1.00 15.62 H new ATOM 0 HE2 PHE A 101 16.469 17.770 19.174 1.00 14.30 H new ATOM 0 HZ PHE A 101 14.346 17.444 18.291 1.00 16.54 H new ATOM 1054 N VAL A 102 20.016 17.960 12.225 1.00 9.98 N ATOM 1055 CA VAL A 102 21.065 18.701 11.504 1.00 9.60 C ATOM 1056 C VAL A 102 20.624 20.152 11.485 1.00 10.10 C ATOM 1057 O VAL A 102 19.485 20.439 11.059 1.00 10.91 O ATOM 1058 CB VAL A 102 21.181 18.195 10.062 1.00 11.88 C ATOM 1059 CG1 VAL A 102 22.168 19.045 9.271 1.00 13.14 C ATOM 1060 CG2 VAL A 102 21.698 16.742 10.078 1.00 14.03 C ATOM 0 H VAL A 102 19.422 17.585 11.729 1.00 9.98 H new ATOM 0 HA VAL A 102 21.926 18.586 11.935 1.00 9.60 H new ATOM 0 HB VAL A 102 20.307 18.247 9.645 1.00 11.88 H new ATOM 0 HG11 VAL A 102 22.228 18.710 8.363 1.00 13.14 H new ATOM 0 HG12 VAL A 102 21.863 19.966 9.256 1.00 13.14 H new ATOM 0 HG13 VAL A 102 23.042 19.001 9.690 1.00 13.14 H new ATOM 0 HG21 VAL A 102 21.774 16.415 9.168 1.00 14.03 H new ATOM 0 HG22 VAL A 102 22.568 16.713 10.505 1.00 14.03 H new ATOM 0 HG23 VAL A 102 21.077 16.183 10.571 1.00 14.03 H new ATOM 1061 N THR A 103 21.436 21.049 11.980 1.00 9.32 N ATOM 1062 CA THR A 103 21.024 22.443 12.115 1.00 9.67 C ATOM 1063 C THR A 103 21.560 23.315 10.999 1.00 11.39 C ATOM 1064 O THR A 103 22.496 22.932 10.290 1.00 13.62 O ATOM 1065 CB THR A 103 21.360 23.003 13.477 1.00 8.70 C ATOM 1066 OG1 THR A 103 22.798 23.007 13.698 1.00 9.81 O ATOM 1067 CG2 THR A 103 20.645 22.145 14.601 1.00 12.31 C ATOM 0 H THR A 103 22.236 20.883 12.248 1.00 9.32 H new ATOM 0 HA THR A 103 20.057 22.452 12.034 1.00 9.67 H new ATOM 0 HB THR A 103 21.043 23.919 13.518 1.00 8.70 H new ATOM 0 HG1 THR A 103 23.143 23.655 13.289 1.00 9.81 H new ATOM 0 HG21 THR A 103 20.863 22.508 15.474 1.00 12.31 H new ATOM 0 HG22 THR A 103 19.684 22.176 14.470 1.00 12.31 H new ATOM 0 HG23 THR A 103 20.949 21.225 14.549 1.00 12.31 H new ATOM 1068 N GLU A 104 20.977 24.488 10.872 1.00 11.21 N ATOM 1069 CA GLU A 104 21.363 25.460 9.872 1.00 13.23 C ATOM 1070 C GLU A 104 21.492 26.782 10.583 1.00 13.85 C ATOM 1071 O GLU A 104 20.581 27.231 11.265 1.00 12.39 O ATOM 1072 CB GLU A 104 20.280 25.538 8.765 1.00 15.58 C ATOM 1073 CG GLU A 104 20.574 26.624 7.784 1.00 23.22 C ATOM 1074 CD GLU A 104 19.493 26.791 6.744 1.00 29.92 C ATOM 1075 OE1 GLU A 104 18.740 25.839 6.512 1.00 33.82 O ATOM 1076 OE2 GLU A 104 19.434 27.887 6.162 1.00 36.93 O ATOM 0 H GLU A 104 20.331 24.749 11.376 1.00 11.21 H new ATOM 0 HA GLU A 104 22.199 25.217 9.445 1.00 13.23 H new ATOM 0 HB2 GLU A 104 20.228 24.688 8.301 1.00 15.58 H new ATOM 0 HB3 GLU A 104 19.413 25.693 9.170 1.00 15.58 H new ATOM 0 HG2 GLU A 104 20.689 27.461 8.261 1.00 23.22 H new ATOM 0 HG3 GLU A 104 21.415 26.433 7.340 1.00 23.22 H new ATOM 1077 N AGLU A 105 22.648 27.440 10.455 0.50 14.98 N ATOM 1078 N BGLU A 105 22.626 27.429 10.406 0.50 14.62 N ATOM 1079 CA AGLU A 105 22.893 28.694 11.157 0.50 16.81 C ATOM 1080 CA BGLU A 105 22.810 28.648 11.095 0.50 15.85 C ATOM 1081 C AGLU A 105 22.270 29.794 10.298 0.50 17.58 C ATOM 1082 C BGLU A 105 22.059 29.727 10.271 0.50 16.74 C ATOM 1083 O AGLU A 105 22.342 29.744 9.059 0.50 18.47 O ATOM 1084 O BGLU A 105 21.737 29.566 9.069 0.50 16.81 O ATOM 1085 CB AGLU A 105 24.409 28.911 11.407 0.50 17.61 C ATOM 1086 CB BGLU A 105 24.310 28.848 11.453 0.50 17.04 C ATOM 1087 CG AGLU A 105 24.767 29.932 12.523 0.50 18.57 C ATOM 1088 CG BGLU A 105 24.785 27.872 12.645 0.50 14.82 C ATOM 1089 CD AGLU A 105 24.550 29.450 13.981 0.50 15.71 C ATOM 1090 CD BGLU A 105 25.096 26.421 12.204 0.50 17.09 C ATOM 1091 OE1AGLU A 105 24.679 30.304 14.908 0.50 15.01 O ATOM 1092 OE1BGLU A 105 24.362 25.446 12.622 0.50 17.90 O ATOM 1093 OE2AGLU A 105 24.199 28.256 14.155 0.50 23.59 O ATOM 1094 OE2BGLU A 105 26.046 26.250 11.356 0.50 14.92 O ATOM 0 H AGLU A 105 23.302 27.173 9.964 0.50 14.62 H new ATOM 0 H BGLU A 105 23.276 27.176 9.903 0.50 14.62 H new ATOM 0 HA AGLU A 105 22.491 28.695 12.040 0.50 15.85 H new ATOM 0 HA BGLU A 105 22.417 28.692 11.981 0.50 15.85 H new ATOM 0 HB2AGLU A 105 24.809 28.056 11.633 0.50 17.04 H new ATOM 0 HB2BGLU A 105 24.854 28.684 10.666 0.50 17.04 H new ATOM 0 HB3AGLU A 105 24.818 29.206 10.578 0.50 17.04 H new ATOM 0 HB3BGLU A 105 24.459 29.770 11.713 0.50 17.04 H new ATOM 0 HG2AGLU A 105 25.698 30.184 12.420 0.50 14.82 H new ATOM 0 HG2BGLU A 105 25.577 28.249 13.059 0.50 14.82 H new ATOM 0 HG3AGLU A 105 24.239 30.734 12.384 0.50 14.82 H new ATOM 0 HG3BGLU A 105 24.093 27.850 13.324 0.50 14.82 H new ATOM 1095 N LEU A 106 21.645 30.757 10.978 1.00 17.99 N ATOM 1096 CA LEU A 106 20.831 31.820 10.360 1.00 21.15 C ATOM 1097 C LEU A 106 21.580 33.152 10.246 1.00 23.80 C ATOM 1098 O LEU A 106 21.111 34.067 9.547 1.00 26.76 O ATOM 1099 CB LEU A 106 19.571 32.034 11.199 1.00 20.14 C ATOM 1100 CG LEU A 106 18.690 30.786 11.209 1.00 22.04 C ATOM 1101 CD1 LEU A 106 17.503 30.980 12.107 1.00 24.63 C ATOM 1102 CD2 LEU A 106 18.287 30.397 9.762 1.00 26.04 C ATOM 0 H ALEU A 106 21.681 30.815 11.835 0.50 17.99 H new ATOM 0 H BLEU A 106 21.815 30.873 11.813 0.50 17.99 H new ATOM 0 HA LEU A 106 20.613 31.530 9.461 1.00 21.15 H new ATOM 0 HB2 LEU A 106 19.821 32.263 12.108 1.00 20.14 H new ATOM 0 HB3 LEU A 106 19.068 32.784 10.845 1.00 20.14 H new ATOM 0 HG LEU A 106 19.196 30.043 11.573 1.00 22.04 H new ATOM 0 HD11 LEU A 106 16.957 30.178 12.100 1.00 24.63 H new ATOM 0 HD12 LEU A 106 17.806 31.156 13.011 1.00 24.63 H new ATOM 0 HD13 LEU A 106 16.977 31.731 11.791 1.00 24.63 H new ATOM 0 HD21 LEU A 106 17.729 29.604 9.783 1.00 26.04 H new ATOM 0 HD22 LEU A 106 17.795 31.127 9.355 1.00 26.04 H new ATOM 0 HD23 LEU A 106 19.085 30.216 9.241 1.00 26.04 H new ATOM 1103 N VAL A 107 22.693 33.265 10.969 1.00 25.90 N ATOM 1104 CA VAL A 107 23.467 34.494 11.115 1.00 28.28 C ATOM 1105 C VAL A 107 24.969 34.220 11.190 1.00 30.37 C ATOM 1106 O VAL A 107 25.756 35.199 11.232 1.00 31.86 O ATOM 1107 CB VAL A 107 23.015 35.292 12.379 1.00 27.86 C ATOM 1108 CG1 VAL A 107 21.550 35.773 12.258 1.00 29.22 C ATOM 1109 CG2 VAL A 107 23.237 34.477 13.674 1.00 27.05 C ATOM 1110 OXT VAL A 107 25.463 33.056 11.219 1.00 31.32 O ATOM 0 H VAL A 107 23.029 32.603 11.403 1.00 25.90 H new ATOM 0 HA VAL A 107 23.297 35.027 10.323 1.00 28.28 H new ATOM 0 HB VAL A 107 23.574 36.083 12.433 1.00 27.86 H new ATOM 0 HG11 VAL A 107 21.303 36.263 13.058 1.00 29.22 H new ATOM 0 HG12 VAL A 107 21.462 36.351 11.484 1.00 29.22 H new ATOM 0 HG13 VAL A 107 20.965 35.006 12.156 1.00 29.22 H new ATOM 0 HG21 VAL A 107 22.947 34.999 14.439 1.00 27.05 H new ATOM 0 HG22 VAL A 107 22.724 33.655 13.631 1.00 27.05 H new ATOM 0 HG23 VAL A 107 24.179 34.265 13.766 1.00 27.05 H new TER 1111 VAL A 107 ATOM 1112 N PRO B -8 -35.048 5.890 17.298 1.00 38.91 N ATOM 1113 CA PRO B -8 -35.560 5.021 18.370 1.00 38.36 C ATOM 1114 C PRO B -8 -35.047 5.405 19.767 1.00 37.68 C ATOM 1115 O PRO B -8 -34.478 6.504 19.937 1.00 38.30 O ATOM 1116 CB PRO B -8 -35.065 3.611 17.954 1.00 38.58 C ATOM 1117 CG PRO B -8 -34.000 3.861 16.879 1.00 39.09 C ATOM 1118 CD PRO B -8 -34.463 5.114 16.192 1.00 39.36 C ATOM 0 H2 PRO B -8 -34.454 6.422 17.620 1.00 38.91 H new ATOM 0 H3 PRO B -8 -35.687 6.380 16.997 1.00 38.91 H new ATOM 0 HA PRO B -8 -36.524 5.087 18.454 1.00 38.36 H new ATOM 0 HB2 PRO B -8 -34.693 3.132 18.711 1.00 38.58 H new ATOM 0 HB3 PRO B -8 -35.793 3.072 17.608 1.00 38.58 H new ATOM 0 HG2 PRO B -8 -33.120 3.975 17.271 1.00 39.09 H new ATOM 0 HG3 PRO B -8 -33.940 3.118 16.259 1.00 39.09 H new ATOM 0 HD2 PRO B -8 -33.729 5.586 15.769 1.00 39.36 H new ATOM 0 HD3 PRO B -8 -35.115 4.925 15.499 1.00 39.36 H new ATOM 1119 N GLN B -7 -35.281 4.517 20.747 1.00 36.28 N ATOM 1120 CA GLN B -7 -34.844 4.692 22.149 1.00 35.11 C ATOM 1121 C GLN B -7 -33.325 4.560 22.420 1.00 31.94 C ATOM 1122 O GLN B -7 -32.805 5.255 23.288 1.00 31.12 O ATOM 1123 CB GLN B -7 -35.547 3.719 23.082 1.00 35.22 C ATOM 1124 CG GLN B -7 -35.336 4.094 24.549 1.00 37.79 C ATOM 1125 CD GLN B -7 -34.845 2.934 25.386 1.00 40.96 C ATOM 1126 OE1 GLN B -7 -34.415 3.122 26.532 1.00 46.77 O ATOM 1127 NE2 GLN B -7 -34.896 1.729 24.830 1.00 43.43 N ATOM 0 H GLN B -7 -35.706 3.781 20.614 1.00 36.28 H new ATOM 0 HA GLN B -7 -35.088 5.615 22.323 1.00 35.11 H new ATOM 0 HB2 GLN B -7 -36.496 3.708 22.883 1.00 35.22 H new ATOM 0 HB3 GLN B -7 -35.214 2.822 22.926 1.00 35.22 H new ATOM 0 HG2 GLN B -7 -34.696 4.821 24.604 1.00 37.79 H new ATOM 0 HG3 GLN B -7 -36.171 4.423 24.918 1.00 37.79 H new ATOM 0 HE21 GLN B -7 -35.201 1.637 24.031 1.00 43.43 H new ATOM 0 HE22 GLN B -7 -34.624 1.041 25.269 1.00 43.43 H new ATOM 1128 N PHE B -6 -32.645 3.615 21.748 1.00 29.63 N ATOM 1129 CA PHE B -6 -31.180 3.673 21.728 1.00 25.09 C ATOM 1130 C PHE B -6 -30.665 5.052 21.263 1.00 23.03 C ATOM 1131 O PHE B -6 -29.801 5.620 21.917 1.00 19.18 O ATOM 1132 CB PHE B -6 -30.514 2.580 20.869 1.00 25.57 C ATOM 1133 CG PHE B -6 -29.074 2.401 21.211 1.00 22.81 C ATOM 1134 CD1 PHE B -6 -28.698 1.596 22.284 1.00 21.31 C ATOM 1135 CD2 PHE B -6 -28.081 3.056 20.497 1.00 20.86 C ATOM 1136 CE1 PHE B -6 -27.387 1.434 22.640 1.00 23.49 C ATOM 1137 CE2 PHE B -6 -26.745 2.908 20.860 1.00 21.16 C ATOM 1138 CZ PHE B -6 -26.406 2.100 21.934 1.00 22.15 C ATOM 0 H PHE B -6 -32.998 2.961 21.316 1.00 29.63 H new ATOM 0 HA PHE B -6 -30.925 3.515 22.650 1.00 25.09 H new ATOM 0 HB2 PHE B -6 -30.982 1.740 20.996 1.00 25.57 H new ATOM 0 HB3 PHE B -6 -30.596 2.812 19.931 1.00 25.57 H new ATOM 0 HD1 PHE B -6 -29.357 1.156 22.772 1.00 21.31 H new ATOM 0 HD2 PHE B -6 -28.308 3.595 19.774 1.00 20.86 H new ATOM 0 HE1 PHE B -6 -27.159 0.880 23.351 1.00 23.49 H new ATOM 0 HE2 PHE B -6 -26.081 3.351 20.383 1.00 21.16 H new ATOM 0 HZ PHE B -6 -25.514 2.006 22.180 1.00 22.15 H new ATOM 1139 N GLU B -5 -31.174 5.589 20.159 1.00 21.87 N ATOM 1140 CA GLU B -5 -30.738 6.919 19.711 1.00 22.66 C ATOM 1141 C GLU B -5 -30.954 7.992 20.772 1.00 20.81 C ATOM 1142 O GLU B -5 -30.118 8.895 20.957 1.00 20.30 O ATOM 1143 CB GLU B -5 -31.426 7.327 18.403 1.00 24.25 C ATOM 1144 CG GLU B -5 -31.059 6.343 17.267 1.00 31.22 C ATOM 1145 CD GLU B -5 -31.095 6.967 15.886 1.00 39.21 C ATOM 1146 OE1 GLU B -5 -30.546 8.088 15.713 1.00 43.94 O ATOM 1147 OE2 GLU B -5 -31.667 6.329 14.968 1.00 43.65 O ATOM 0 H GLU B -5 -31.763 5.212 19.659 1.00 21.87 H new ATOM 0 HA GLU B -5 -29.784 6.849 19.552 1.00 22.66 H new ATOM 0 HB2 GLU B -5 -32.388 7.341 18.528 1.00 24.25 H new ATOM 0 HB3 GLU B -5 -31.159 8.227 18.158 1.00 24.25 H new ATOM 0 HG2 GLU B -5 -30.171 5.989 17.430 1.00 31.22 H new ATOM 0 HG3 GLU B -5 -31.672 5.592 17.290 1.00 31.22 H new ATOM 1148 N LYS B -4 -32.042 7.885 21.531 1.00 20.97 N ATOM 1149 CA LYS B -4 -32.266 8.839 22.581 1.00 19.34 C ATOM 1150 C LYS B -4 -31.176 8.765 23.656 1.00 18.63 C ATOM 1151 O LYS B -4 -30.652 9.793 24.131 1.00 16.93 O ATOM 1152 CB LYS B -4 -33.695 8.675 23.177 1.00 21.33 C ATOM 1153 CG LYS B -4 -33.981 9.630 24.347 1.00 23.16 C ATOM 1154 CD LYS B -4 -35.456 9.583 24.773 1.00 30.04 C ATOM 1155 CE LYS B -4 -35.728 8.398 25.704 1.00 32.97 C ATOM 1156 NZ LYS B -4 -34.888 8.418 26.925 1.00 35.74 N ATOM 0 H LYS B -4 -32.645 7.277 21.449 1.00 20.97 H new ATOM 0 HA LYS B -4 -32.211 9.728 22.197 1.00 19.34 H new ATOM 0 HB2 LYS B -4 -34.349 8.826 22.477 1.00 21.33 H new ATOM 0 HB3 LYS B -4 -33.809 7.760 23.479 1.00 21.33 H new ATOM 0 HG2 LYS B -4 -33.419 9.395 25.102 1.00 23.16 H new ATOM 0 HG3 LYS B -4 -33.747 10.536 24.090 1.00 23.16 H new ATOM 0 HD2 LYS B -4 -35.692 10.410 25.221 1.00 30.04 H new ATOM 0 HD3 LYS B -4 -36.020 9.516 23.987 1.00 30.04 H new ATOM 0 HE2 LYS B -4 -36.663 8.402 25.961 1.00 32.97 H new ATOM 0 HE3 LYS B -4 -35.570 7.571 25.222 1.00 32.97 H new ATOM 0 HZ1 LYS B -4 -35.262 7.908 27.551 1.00 35.74 H new ATOM 0 HZ2 LYS B -4 -34.077 8.105 26.733 1.00 35.74 H new ATOM 0 HZ3 LYS B -4 -34.820 9.253 27.225 1.00 35.74 H new ATOM 1157 N ILE B -3 -30.834 7.552 24.069 1.00 17.38 N ATOM 1158 CA ILE B -3 -29.837 7.432 25.120 1.00 17.82 C ATOM 1159 C ILE B -3 -28.406 7.804 24.587 1.00 15.23 C ATOM 1160 O ILE B -3 -27.632 8.455 25.302 1.00 13.89 O ATOM 1161 CB ILE B -3 -29.888 6.024 25.829 1.00 18.79 C ATOM 1162 CG1 ILE B -3 -31.303 5.699 26.352 1.00 21.41 C ATOM 1163 CG2 ILE B -3 -28.935 5.964 26.997 1.00 22.77 C ATOM 1164 CD1 ILE B -3 -31.736 6.600 27.491 1.00 24.61 C ATOM 0 H ILE B -3 -31.153 6.812 23.768 1.00 17.38 H new ATOM 0 HA ILE B -3 -30.054 8.078 25.810 1.00 17.82 H new ATOM 0 HB ILE B -3 -29.632 5.373 25.157 1.00 18.79 H new ATOM 0 HG12 ILE B -3 -31.938 5.780 25.623 1.00 21.41 H new ATOM 0 HG13 ILE B -3 -31.328 4.776 26.649 1.00 21.41 H new ATOM 0 HG21 ILE B -3 -28.987 5.089 27.413 1.00 22.77 H new ATOM 0 HG22 ILE B -3 -28.030 6.119 26.685 1.00 22.77 H new ATOM 0 HG23 ILE B -3 -29.174 6.645 27.645 1.00 22.77 H new ATOM 0 HD11 ILE B -3 -32.629 6.352 27.779 1.00 24.61 H new ATOM 0 HD12 ILE B -3 -31.119 6.503 28.233 1.00 24.61 H new ATOM 0 HD13 ILE B -3 -31.738 7.523 27.191 1.00 24.61 H new ATOM 1165 N GLU B -2 -28.137 7.418 23.352 1.00 15.63 N ATOM 1166 CA GLU B -2 -26.885 7.798 22.716 1.00 15.25 C ATOM 1167 C GLU B -2 -26.745 9.305 22.652 1.00 15.25 C ATOM 1168 O GLU B -2 -25.697 9.874 22.946 1.00 14.14 O ATOM 1169 CB GLU B -2 -26.871 7.176 21.350 1.00 16.36 C ATOM 1170 CG GLU B -2 -25.555 7.240 20.658 1.00 19.53 C ATOM 1171 CD GLU B -2 -25.629 6.509 19.361 1.00 19.59 C ATOM 1172 OE1 GLU B -2 -26.407 6.923 18.480 1.00 20.78 O ATOM 1173 OE2 GLU B -2 -25.032 5.413 19.239 1.00 16.72 O ATOM 0 H GLU B -2 -28.660 6.939 22.866 1.00 15.63 H new ATOM 0 HA GLU B -2 -26.127 7.479 23.231 1.00 15.25 H new ATOM 0 HB2 GLU B -2 -27.139 6.247 21.427 1.00 16.36 H new ATOM 0 HB3 GLU B -2 -27.536 7.618 20.799 1.00 16.36 H new ATOM 0 HG2 GLU B -2 -25.306 8.165 20.504 1.00 19.53 H new ATOM 0 HG3 GLU B -2 -24.866 6.851 21.219 1.00 19.53 H new ATOM 1174 N GLY B -1 -27.839 10.004 22.342 1.00 15.56 N ATOM 1175 CA GLY B -1 -27.798 11.448 22.295 1.00 13.50 C ATOM 1176 C GLY B -1 -27.431 12.113 23.591 1.00 12.69 C ATOM 1177 O GLY B -1 -26.853 13.163 23.638 1.00 11.92 O ATOM 0 H GLY B -1 -28.604 9.657 22.159 1.00 15.56 H new ATOM 0 HA2 GLY B -1 -27.160 11.718 21.616 1.00 13.50 H new ATOM 0 HA3 GLY B -1 -28.667 11.774 22.014 1.00 13.50 H new ATOM 1178 N ARG B 0 -27.801 11.466 24.701 1.00 11.10 N ATOM 1179 CA ARG B 0 -27.513 11.937 26.036 1.00 12.86 C ATOM 1180 C ARG B 0 -26.189 11.552 26.657 1.00 12.69 C ATOM 1181 O ARG B 0 -25.850 11.876 27.810 1.00 13.28 O ATOM 1182 CB ARG B 0 -28.654 11.461 27.008 1.00 15.27 C ATOM 1183 CG ARG B 0 -29.893 12.306 26.841 1.00 19.68 C ATOM 1184 CD ARG B 0 -30.932 11.880 27.801 1.00 26.34 C ATOM 1185 NE ARG B 0 -32.228 12.423 27.414 1.00 29.79 N ATOM 1186 CZ ARG B 0 -33.378 11.891 27.807 1.00 33.60 C ATOM 1187 NH1 ARG B 0 -33.377 10.808 28.573 1.00 35.74 N ATOM 1188 NH2 ARG B 0 -34.520 12.440 27.432 1.00 36.67 N ATOM 0 H ARG B 0 -28.236 10.724 24.686 1.00 11.10 H new ATOM 0 HA ARG B 0 -27.459 12.899 25.922 1.00 12.86 H new ATOM 0 HB2 ARG B 0 -28.866 10.531 26.832 1.00 15.27 H new ATOM 0 HB3 ARG B 0 -28.344 11.513 27.926 1.00 15.27 H new ATOM 0 HG2 ARG B 0 -29.677 13.241 26.982 1.00 19.68 H new ATOM 0 HG3 ARG B 0 -30.228 12.226 25.934 1.00 19.68 H new ATOM 0 HD2 ARG B 0 -30.976 10.911 27.832 1.00 26.34 H new ATOM 0 HD3 ARG B 0 -30.701 12.182 28.693 1.00 26.34 H new ATOM 0 HE ARG B 0 -32.248 13.119 26.909 1.00 29.79 H new ATOM 0 HH11 ARG B 0 -32.632 10.452 28.814 1.00 35.74 H new ATOM 0 HH12 ARG B 0 -34.121 10.462 28.829 1.00 35.74 H new ATOM 0 HH21 ARG B 0 -34.517 13.141 26.934 1.00 36.67 H new ATOM 0 HH22 ARG B 0 -35.266 12.096 27.686 1.00 36.67 H new ATOM 1189 N MET B 1 -25.338 10.884 25.842 1.00 11.12 N ATOM 1190 CA MET B 1 -24.021 10.524 26.331 1.00 11.31 C ATOM 1191 C MET B 1 -23.085 11.706 26.548 1.00 10.73 C ATOM 1192 O MET B 1 -23.422 12.854 26.121 1.00 11.28 O ATOM 1193 CB MET B 1 -23.332 9.532 25.338 1.00 10.13 C ATOM 1194 CG MET B 1 -24.006 8.168 25.356 1.00 11.15 C ATOM 1195 SD MET B 1 -23.183 7.040 24.262 1.00 10.96 S ATOM 1196 CE MET B 1 -24.063 5.506 24.588 1.00 13.55 C ATOM 0 H MET B 1 -25.511 10.645 25.034 1.00 11.12 H new ATOM 0 HA MET B 1 -24.175 10.117 27.198 1.00 11.31 H new ATOM 0 HB2 MET B 1 -23.363 9.898 24.440 1.00 10.13 H new ATOM 0 HB3 MET B 1 -22.396 9.435 25.573 1.00 10.13 H new ATOM 0 HG2 MET B 1 -24.000 7.812 26.258 1.00 11.15 H new ATOM 0 HG3 MET B 1 -24.935 8.259 25.093 1.00 11.15 H new ATOM 0 HE1 MET B 1 -23.695 4.798 24.036 1.00 13.55 H new ATOM 0 HE2 MET B 1 -23.966 5.270 25.524 1.00 13.55 H new ATOM 0 HE3 MET B 1 -25.003 5.622 24.380 1.00 13.55 H new ATOM 1197 N ILE B 2 -21.932 11.441 27.106 1.00 10.86 N ATOM 1198 CA ILE B 2 -20.839 12.461 27.183 1.00 11.47 C ATOM 1199 C ILE B 2 -20.329 12.651 25.749 1.00 8.79 C ATOM 1200 O ILE B 2 -19.866 11.703 25.135 1.00 8.79 O ATOM 1201 CB ILE B 2 -19.718 12.033 28.088 1.00 13.35 C ATOM 1202 CG1 ILE B 2 -20.263 11.862 29.534 1.00 13.60 C ATOM 1203 CG2 ILE B 2 -18.520 13.004 28.069 1.00 15.07 C ATOM 1204 CD1 ILE B 2 -19.309 11.101 30.412 1.00 17.78 C ATOM 0 H ILE B 2 -21.733 10.681 27.456 1.00 10.86 H new ATOM 0 HA ILE B 2 -21.181 13.287 27.560 1.00 11.47 H new ATOM 0 HB ILE B 2 -19.382 11.186 27.756 1.00 13.35 H new ATOM 0 HG12 ILE B 2 -20.430 12.736 29.921 1.00 13.60 H new ATOM 0 HG13 ILE B 2 -21.114 11.398 29.505 1.00 13.60 H new ATOM 0 HG21 ILE B 2 -17.830 12.679 28.669 1.00 15.07 H new ATOM 0 HG22 ILE B 2 -18.164 13.062 27.168 1.00 15.07 H new ATOM 0 HG23 ILE B 2 -18.811 13.883 28.358 1.00 15.07 H new ATOM 0 HD11 ILE B 2 -19.685 11.017 31.302 1.00 17.78 H new ATOM 0 HD12 ILE B 2 -19.160 10.218 30.039 1.00 17.78 H new ATOM 0 HD13 ILE B 2 -18.465 11.577 30.462 1.00 17.78 H new ATOM 1205 N ARG B 3 -20.472 13.868 25.215 1.00 8.96 N ATOM 1206 CA ARG B 3 -20.144 14.124 23.801 1.00 8.86 C ATOM 1207 C ARG B 3 -19.222 15.308 23.740 1.00 9.56 C ATOM 1208 O ARG B 3 -19.464 16.372 24.344 1.00 11.96 O ATOM 1209 CB ARG B 3 -21.418 14.366 23.013 1.00 8.75 C ATOM 1210 CG ARG B 3 -22.168 13.101 22.797 1.00 8.59 C ATOM 1211 CD ARG B 3 -23.629 13.283 22.390 1.00 9.27 C ATOM 1212 NE ARG B 3 -23.645 13.899 21.037 1.00 9.14 N ATOM 1213 CZ ARG B 3 -24.745 14.367 20.480 1.00 8.86 C ATOM 1214 NH1 ARG B 3 -25.894 14.410 21.141 1.00 9.64 N ATOM 1215 NH2 ARG B 3 -24.650 14.887 19.264 1.00 9.83 N ATOM 0 H ARG B 3 -20.755 14.555 25.648 1.00 8.96 H new ATOM 0 HA ARG B 3 -19.700 13.357 23.406 1.00 8.86 H new ATOM 0 HB2 ARG B 3 -21.979 15.000 23.487 1.00 8.75 H new ATOM 0 HB3 ARG B 3 -21.200 14.766 22.156 1.00 8.75 H new ATOM 0 HG2 ARG B 3 -21.716 12.585 22.111 1.00 8.59 H new ATOM 0 HG3 ARG B 3 -22.136 12.577 23.613 1.00 8.59 H new ATOM 0 HD2 ARG B 3 -24.089 12.429 22.381 1.00 9.27 H new ATOM 0 HD3 ARG B 3 -24.092 13.848 23.027 1.00 9.27 H new ATOM 0 HE ARG B 3 -22.907 13.952 20.600 1.00 9.14 H new ATOM 0 HH11 ARG B 3 -25.934 14.129 21.953 1.00 9.64 H new ATOM 0 HH12 ARG B 3 -26.599 14.719 20.758 1.00 9.64 H new ATOM 0 HH21 ARG B 3 -23.889 14.911 18.865 1.00 9.83 H new ATOM 0 HH22 ARG B 3 -25.350 15.200 18.874 1.00 9.83 H new ATOM 1216 N ILE B 4 -18.114 15.127 23.037 1.00 8.02 N ATOM 1217 CA AILE B 4 -17.124 16.164 22.813 0.50 9.05 C ATOM 1218 CA BILE B 4 -17.153 16.193 22.800 0.50 8.14 C ATOM 1219 C ILE B 4 -17.074 16.431 21.304 1.00 7.72 C ATOM 1220 O ILE B 4 -16.867 15.468 20.533 1.00 8.71 O ATOM 1221 CB AILE B 4 -15.741 15.747 23.350 0.50 9.27 C ATOM 1222 CB BILE B 4 -15.767 15.870 23.333 0.50 8.08 C ATOM 1223 CG1AILE B 4 -15.854 14.949 24.674 0.50 12.42 C ATOM 1224 CG1BILE B 4 -15.817 15.560 24.832 0.50 7.30 C ATOM 1225 CG2AILE B 4 -14.871 17.005 23.527 0.50 10.89 C ATOM 1226 CG2BILE B 4 -14.864 17.097 23.092 0.50 8.06 C ATOM 1227 CD1AILE B 4 -16.683 15.567 25.699 0.50 19.38 C ATOM 1228 CD1BILE B 4 -14.514 14.960 25.390 0.50 8.23 C ATOM 0 H AILE B 4 -17.913 14.377 22.668 0.50 8.02 H new ATOM 0 H BILE B 4 -17.896 14.375 22.681 0.50 8.02 H new ATOM 0 HA AILE B 4 -17.370 16.971 23.292 0.50 8.14 H new ATOM 0 HA BILE B 4 -17.457 16.983 23.274 0.50 8.14 H new ATOM 0 HB AILE B 4 -15.321 15.154 22.707 0.50 8.08 H new ATOM 0 HB BILE B 4 -15.419 15.089 22.876 0.50 8.08 H new ATOM 0 HG12AILE B 4 -16.211 14.069 24.476 0.50 7.30 H new ATOM 0 HG12BILE B 4 -16.019 16.376 25.315 0.50 7.30 H new ATOM 0 HG13AILE B 4 -14.963 14.819 25.034 0.50 7.30 H new ATOM 0 HG13BILE B 4 -16.545 14.942 25.001 0.50 7.30 H new ATOM 0 HG21AILE B 4 -13.998 16.750 23.865 0.50 8.06 H new ATOM 0 HG21BILE B 4 -13.972 16.913 23.425 0.50 8.06 H new ATOM 0 HG22AILE B 4 -14.768 17.451 22.672 0.50 8.06 H new ATOM 0 HG22BILE B 4 -14.821 17.286 22.142 0.50 8.06 H new ATOM 0 HG23AILE B 4 -15.297 17.608 24.156 0.50 8.06 H new ATOM 0 HG23BILE B 4 -15.230 17.865 23.557 0.50 8.06 H new ATOM 0 HD11AILE B 4 -16.697 15.003 26.488 0.50 8.23 H new ATOM 0 HD11BILE B 4 -14.617 14.790 26.339 0.50 8.23 H new ATOM 0 HD12AILE B 4 -16.319 16.436 25.930 0.50 8.23 H new ATOM 0 HD12BILE B 4 -14.319 14.128 24.932 0.50 8.23 H new ATOM 0 HD13AILE B 4 -17.587 15.675 25.363 0.50 8.23 H new ATOM 0 HD13BILE B 4 -13.785 15.584 25.251 0.50 8.23 H new ATOM 1229 N ALEU B 5 -17.287 17.699 20.922 0.50 7.71 N ATOM 1230 N BLEU B 5 -17.357 17.662 20.895 0.50 7.48 N ATOM 1231 CA ALEU B 5 -17.287 18.160 19.511 0.50 6.95 C ATOM 1232 CA BLEU B 5 -17.249 17.996 19.476 0.50 6.77 C ATOM 1233 C ALEU B 5 -15.986 18.912 19.211 0.50 7.75 C ATOM 1234 C BLEU B 5 -15.881 18.690 19.287 0.50 6.80 C ATOM 1235 O ALEU B 5 -15.642 19.869 19.937 0.50 6.62 O ATOM 1236 O BLEU B 5 -15.314 19.305 20.176 0.50 6.02 O ATOM 1237 CB ALEU B 5 -18.420 19.161 19.306 0.50 8.23 C ATOM 1238 CB BLEU B 5 -18.481 18.789 18.995 0.50 8.11 C ATOM 1239 CG ALEU B 5 -18.536 19.605 17.859 0.50 8.76 C ATOM 1240 CG BLEU B 5 -18.607 19.088 17.485 0.50 9.73 C ATOM 1241 CD1ALEU B 5 -19.137 18.452 17.071 0.50 8.90 C ATOM 1242 CD1BLEU B 5 -20.025 18.897 17.027 0.50 13.40 C ATOM 1243 CD2ALEU B 5 -19.370 20.879 17.780 0.50 10.51 C ATOM 1244 CD2BLEU B 5 -18.130 20.491 17.183 0.50 13.41 C ATOM 0 H ALEU B 5 -17.439 18.332 21.484 0.50 7.48 H new ATOM 0 H BLEU B 5 -17.608 18.306 21.407 0.50 7.48 H new ATOM 0 HA ALEU B 5 -17.386 17.385 18.936 0.50 6.77 H new ATOM 0 HA BLEU B 5 -17.262 17.213 18.904 0.50 6.77 H new ATOM 0 HB2ALEU B 5 -19.258 18.762 19.588 0.50 8.11 H new ATOM 0 HB2BLEU B 5 -19.274 18.301 19.268 0.50 8.11 H new ATOM 0 HB3ALEU B 5 -18.271 19.936 19.870 0.50 8.11 H new ATOM 0 HB3BLEU B 5 -18.492 19.636 19.468 0.50 8.11 H new ATOM 0 HG ALEU B 5 -17.671 19.820 17.476 0.50 9.73 H new ATOM 0 HG BLEU B 5 -18.045 18.464 16.999 0.50 9.73 H new ATOM 0 HD11ALEU B 5 -19.224 18.707 16.139 0.50 13.40 H new ATOM 0 HD11BLEU B 5 -20.087 19.088 16.078 0.50 13.40 H new ATOM 0 HD12ALEU B 5 -18.559 17.676 17.141 0.50 13.40 H new ATOM 0 HD12BLEU B 5 -20.297 17.980 17.190 0.50 13.40 H new ATOM 0 HD13ALEU B 5 -20.012 18.236 17.429 0.50 13.40 H new ATOM 0 HD13BLEU B 5 -20.607 19.499 17.517 0.50 13.40 H new ATOM 0 HD21ALEU B 5 -19.443 21.161 16.855 0.50 13.41 H new ATOM 0 HD21BLEU B 5 -18.215 20.664 16.232 0.50 13.41 H new ATOM 0 HD22ALEU B 5 -20.256 20.709 18.137 0.50 13.41 H new ATOM 0 HD22BLEU B 5 -18.668 21.129 17.677 0.50 13.41 H new ATOM 0 HD23ALEU B 5 -18.942 21.579 18.298 0.50 13.41 H new ATOM 0 HD23BLEU B 5 -17.201 20.581 17.446 0.50 13.41 H new ATOM 1245 N TYR B 6 -15.330 18.550 18.090 1.00 6.94 N ATOM 1246 CA TYR B 6 -13.998 19.135 17.763 1.00 7.60 C ATOM 1247 C TYR B 6 -14.026 19.870 16.450 1.00 7.76 C ATOM 1248 O TYR B 6 -14.547 19.369 15.445 1.00 8.43 O ATOM 1249 CB TYR B 6 -12.982 18.004 17.657 1.00 8.94 C ATOM 1250 CG TYR B 6 -12.822 17.193 18.889 1.00 10.99 C ATOM 1251 CD1 TYR B 6 -11.816 17.514 19.809 1.00 13.32 C ATOM 1252 CD2 TYR B 6 -13.649 16.103 19.146 1.00 11.82 C ATOM 1253 CE1 TYR B 6 -11.694 16.736 21.023 1.00 13.10 C ATOM 1254 CE2 TYR B 6 -13.522 15.344 20.339 1.00 14.87 C ATOM 1255 CZ TYR B 6 -12.514 15.705 21.208 1.00 13.45 C ATOM 1256 OH TYR B 6 -12.316 15.008 22.430 1.00 21.97 O ATOM 0 H ATYR B 6 -15.626 17.982 17.516 0.50 6.94 H new ATOM 0 H BTYR B 6 -15.698 18.122 17.441 0.50 6.94 H new ATOM 0 HA TYR B 6 -13.760 19.762 18.464 1.00 7.60 H new ATOM 0 HB2 TYR B 6 -13.245 17.417 16.931 1.00 8.94 H new ATOM 0 HB3 TYR B 6 -12.121 18.381 17.419 1.00 8.94 H new ATOM 0 HD1 TYR B 6 -11.233 18.219 19.642 1.00 13.32 H new ATOM 0 HD2 TYR B 6 -14.298 15.867 18.523 1.00 11.82 H new ATOM 0 HE1 TYR B 6 -11.054 16.953 21.662 1.00 13.10 H new ATOM 0 HE2 TYR B 6 -14.093 14.635 20.526 1.00 14.87 H new ATOM 0 HH TYR B 6 -13.045 14.679 22.686 1.00 21.97 H new ATOM 1257 N LEU B 7 -13.437 21.043 16.443 1.00 7.72 N ATOM 1258 CA LEU B 7 -13.143 21.745 15.181 1.00 7.90 C ATOM 1259 C LEU B 7 -11.687 21.420 14.832 1.00 9.11 C ATOM 1260 O LEU B 7 -10.773 21.574 15.695 1.00 9.36 O ATOM 1261 CB LEU B 7 -13.294 23.275 15.303 1.00 8.98 C ATOM 1262 CG LEU B 7 -14.605 23.700 15.944 1.00 8.90 C ATOM 1263 CD1 LEU B 7 -14.641 25.230 16.018 1.00 12.38 C ATOM 1264 CD2 LEU B 7 -15.796 23.217 15.156 1.00 10.49 C ATOM 0 H LEU B 7 -13.192 21.464 17.152 1.00 7.72 H new ATOM 0 HA LEU B 7 -13.770 21.453 14.501 1.00 7.90 H new ATOM 0 HB2 LEU B 7 -12.557 23.626 15.826 1.00 8.98 H new ATOM 0 HB3 LEU B 7 -13.229 23.672 14.420 1.00 8.98 H new ATOM 0 HG LEU B 7 -14.653 23.306 16.829 1.00 8.90 H new ATOM 0 HD11 LEU B 7 -15.474 25.515 16.426 1.00 12.38 H new ATOM 0 HD12 LEU B 7 -13.895 25.546 16.552 1.00 12.38 H new ATOM 0 HD13 LEU B 7 -14.577 25.599 15.123 1.00 12.38 H new ATOM 0 HD21 LEU B 7 -16.612 23.506 15.593 1.00 10.49 H new ATOM 0 HD22 LEU B 7 -15.762 23.586 14.259 1.00 10.49 H new ATOM 0 HD23 LEU B 7 -15.781 22.248 15.108 1.00 10.49 H new ATOM 1265 N ALEU B 8 -11.451 20.920 13.619 0.50 7.90 N ATOM 1266 N BLEU B 8 -11.454 20.942 13.614 0.50 8.33 N ATOM 1267 CA ALEU B 8 -10.097 20.531 13.146 0.50 7.39 C ATOM 1268 CA BLEU B 8 -10.105 20.559 13.159 0.50 8.64 C ATOM 1269 C ALEU B 8 -9.635 21.426 12.035 0.50 8.49 C ATOM 1270 C BLEU B 8 -9.651 21.470 12.054 0.50 9.04 C ATOM 1271 O ALEU B 8 -10.385 21.651 11.070 0.50 8.45 O ATOM 1272 O BLEU B 8 -10.423 21.759 11.119 0.50 8.97 O ATOM 1273 CB ALEU B 8 -10.086 19.119 12.595 0.50 8.14 C ATOM 1274 CB BLEU B 8 -10.087 19.138 12.630 0.50 9.56 C ATOM 1275 CG ALEU B 8 -10.021 17.934 13.536 0.50 6.97 C ATOM 1276 CG BLEU B 8 -10.624 17.989 13.469 0.50 13.16 C ATOM 1277 CD1ALEU B 8 -11.335 17.944 14.345 0.50 6.80 C ATOM 1278 CD1BLEU B 8 -10.145 16.646 12.898 0.50 15.23 C ATOM 1279 CD2ALEU B 8 -9.878 16.614 12.791 0.50 12.18 C ATOM 1280 CD2BLEU B 8 -10.171 18.149 14.884 0.50 15.87 C ATOM 0 H ALEU B 8 -12.070 20.792 13.035 0.50 8.33 H new ATOM 0 H BLEU B 8 -12.068 20.828 13.023 0.50 8.33 H new ATOM 0 HA ALEU B 8 -9.513 20.603 13.917 0.50 8.64 H new ATOM 0 HA BLEU B 8 -9.513 20.629 13.924 0.50 8.64 H new ATOM 0 HB2ALEU B 8 -10.886 19.015 12.056 0.50 9.56 H new ATOM 0 HB2BLEU B 8 -10.582 19.138 11.796 0.50 9.56 H new ATOM 0 HB3ALEU B 8 -9.328 19.051 11.994 0.50 9.56 H new ATOM 0 HB3BLEU B 8 -9.166 18.926 12.413 0.50 9.56 H new ATOM 0 HG ALEU B 8 -9.241 18.010 14.107 0.50 13.16 H new ATOM 0 HG BLEU B 8 -11.594 18.001 13.446 0.50 13.16 H new ATOM 0 HD11ALEU B 8 -11.339 17.198 14.965 0.50 15.23 H new ATOM 0 HD11BLEU B 8 -10.493 15.921 13.440 0.50 15.23 H new ATOM 0 HD12ALEU B 8 -11.404 18.776 14.840 0.50 15.23 H new ATOM 0 HD12BLEU B 8 -10.464 16.549 11.987 0.50 15.23 H new ATOM 0 HD13ALEU B 8 -12.089 17.865 13.740 0.50 15.23 H new ATOM 0 HD13BLEU B 8 -9.175 16.618 12.906 0.50 15.23 H new ATOM 0 HD21ALEU B 8 -9.840 15.884 13.429 0.50 15.87 H new ATOM 0 HD21BLEU B 8 -10.514 17.416 15.419 0.50 15.87 H new ATOM 0 HD22ALEU B 8 -10.640 16.490 12.203 0.50 15.87 H new ATOM 0 HD22BLEU B 8 -9.202 18.146 14.916 0.50 15.87 H new ATOM 0 HD23ALEU B 8 -9.063 16.626 12.265 0.50 15.87 H new ATOM 0 HD23BLEU B 8 -10.503 18.989 15.237 0.50 15.87 H new ATOM 1281 N VAL B 9 -8.386 21.897 12.148 1.00 9.38 N ATOM 1282 CA VAL B 9 -7.740 22.694 11.060 1.00 10.43 C ATOM 1283 C VAL B 9 -6.574 21.847 10.631 1.00 10.18 C ATOM 1284 O VAL B 9 -5.827 21.368 11.466 1.00 10.42 O ATOM 1285 CB VAL B 9 -7.261 24.036 11.545 1.00 9.65 C ATOM 1286 CG1 VAL B 9 -6.713 24.842 10.351 1.00 11.16 C ATOM 1287 CG2 VAL B 9 -8.378 24.816 12.240 1.00 12.46 C ATOM 0 H AVAL B 9 -7.889 21.773 12.838 0.50 9.38 H new ATOM 0 H BVAL B 9 -7.877 21.743 12.824 0.50 9.38 H new ATOM 0 HA VAL B 9 -8.362 22.886 10.341 1.00 10.43 H new ATOM 0 HB VAL B 9 -6.557 23.892 12.197 1.00 9.65 H new ATOM 0 HG11 VAL B 9 -6.403 25.708 10.660 1.00 11.16 H new ATOM 0 HG12 VAL B 9 -5.975 24.360 9.947 1.00 11.16 H new ATOM 0 HG13 VAL B 9 -7.416 24.966 9.694 1.00 11.16 H new ATOM 0 HG21 VAL B 9 -8.037 25.673 12.539 1.00 12.46 H new ATOM 0 HG22 VAL B 9 -9.109 24.959 11.618 1.00 12.46 H new ATOM 0 HG23 VAL B 9 -8.698 24.311 13.004 1.00 12.46 H new ATOM 1288 N LYS B 10 -6.458 21.662 9.310 1.00 10.46 N ATOM 1289 CA LYS B 10 -5.366 20.859 8.764 1.00 11.52 C ATOM 1290 C LYS B 10 -3.987 21.597 9.027 1.00 9.86 C ATOM 1291 O LYS B 10 -3.965 22.838 9.196 1.00 10.90 O ATOM 1292 CB LYS B 10 -5.507 20.638 7.222 1.00 13.26 C ATOM 1293 CG LYS B 10 -5.139 21.865 6.396 1.00 12.01 C ATOM 1294 CD LYS B 10 -5.218 21.602 4.895 1.00 11.54 C ATOM 1295 CE LYS B 10 -4.872 22.851 4.144 1.00 12.05 C ATOM 1296 NZ LYS B 10 -3.522 23.360 4.519 1.00 12.83 N ATOM 0 H LYS B 10 -6.995 21.989 8.724 1.00 10.46 H new ATOM 0 HA LYS B 10 -5.398 19.996 9.205 1.00 11.52 H new ATOM 0 HB2 LYS B 10 -4.942 19.896 6.956 1.00 13.26 H new ATOM 0 HB3 LYS B 10 -6.421 20.384 7.021 1.00 13.26 H new ATOM 0 HG2 LYS B 10 -5.734 22.596 6.625 1.00 12.01 H new ATOM 0 HG3 LYS B 10 -4.240 22.148 6.625 1.00 12.01 H new ATOM 0 HD2 LYS B 10 -4.609 20.888 4.650 1.00 11.54 H new ATOM 0 HD3 LYS B 10 -6.111 21.307 4.656 1.00 11.54 H new ATOM 0 HE2 LYS B 10 -4.899 22.674 3.191 1.00 12.05 H new ATOM 0 HE3 LYS B 10 -5.538 23.533 4.325 1.00 12.05 H new ATOM 0 HZ1 LYS B 10 -3.284 24.010 3.960 1.00 12.83 H new ATOM 0 HZ2 LYS B 10 -3.544 23.677 5.350 1.00 12.83 H new ATOM 0 HZ3 LYS B 10 -2.930 22.697 4.471 1.00 12.83 H new ATOM 1297 N PRO B 11 -2.920 20.779 9.049 1.00 11.42 N ATOM 1298 CA PRO B 11 -1.576 21.378 9.144 1.00 12.74 C ATOM 1299 C PRO B 11 -1.315 22.364 8.013 1.00 13.52 C ATOM 1300 O PRO B 11 -1.729 22.154 6.874 1.00 11.91 O ATOM 1301 CB PRO B 11 -0.662 20.152 9.103 1.00 14.44 C ATOM 1302 CG PRO B 11 -1.537 18.969 9.573 1.00 14.07 C ATOM 1303 CD PRO B 11 -2.851 19.316 8.932 1.00 12.58 C ATOM 0 HA PRO B 11 -1.440 21.914 9.941 1.00 12.74 H new ATOM 0 HB2 PRO B 11 -0.321 20.000 8.208 1.00 14.44 H new ATOM 0 HB3 PRO B 11 0.107 20.270 9.683 1.00 14.44 H new ATOM 0 HG2 PRO B 11 -1.194 18.114 9.268 1.00 14.07 H new ATOM 0 HG3 PRO B 11 -1.601 18.921 10.540 1.00 14.07 H new ATOM 0 HD2 PRO B 11 -2.882 19.031 8.005 1.00 12.58 H new ATOM 0 HD3 PRO B 11 -3.593 18.887 9.386 1.00 12.58 H new ATOM 1304 N GLU B 12 -0.708 23.487 8.340 1.00 14.21 N ATOM 1305 CA GLU B 12 -0.273 24.489 7.427 1.00 15.21 C ATOM 1306 C GLU B 12 0.465 23.918 6.176 1.00 13.85 C ATOM 1307 O GLU B 12 0.273 24.433 5.080 1.00 15.41 O ATOM 1308 CB GLU B 12 0.712 25.358 8.284 1.00 16.60 C ATOM 1309 CG GLU B 12 1.070 26.674 7.737 1.00 16.24 C ATOM 1310 CD GLU B 12 2.253 26.642 6.831 1.00 11.82 C ATOM 1311 OE1 GLU B 12 3.236 25.952 7.107 1.00 12.59 O ATOM 1312 OE2 GLU B 12 2.167 27.467 5.941 1.00 15.90 O ATOM 0 H GLU B 12 -0.532 23.688 9.158 1.00 14.21 H new ATOM 0 HA GLU B 12 -1.027 24.978 7.061 1.00 15.21 H new ATOM 0 HB2 GLU B 12 0.317 25.490 9.160 1.00 16.60 H new ATOM 0 HB3 GLU B 12 1.529 24.851 8.415 1.00 16.60 H new ATOM 0 HG2 GLU B 12 0.310 27.032 7.252 1.00 16.24 H new ATOM 0 HG3 GLU B 12 1.250 27.283 8.471 1.00 16.24 H new ATOM 1313 N SER B 13 1.238 22.889 6.402 1.00 12.71 N ATOM 1314 CA SER B 13 2.034 22.296 5.302 1.00 12.61 C ATOM 1315 C SER B 13 1.336 21.225 4.535 1.00 13.57 C ATOM 1316 O SER B 13 1.881 20.749 3.540 1.00 14.35 O ATOM 1317 CB SER B 13 3.347 21.782 5.852 1.00 15.02 C ATOM 1318 OG SER B 13 3.213 20.687 6.682 1.00 18.95 O ATOM 0 H SER B 13 1.332 22.506 7.166 1.00 12.71 H new ATOM 0 HA SER B 13 2.183 23.009 4.661 1.00 12.61 H new ATOM 0 HB2 SER B 13 3.928 21.547 5.112 1.00 15.02 H new ATOM 0 HB3 SER B 13 3.785 22.496 6.341 1.00 15.02 H new ATOM 0 HG SER B 13 2.978 20.942 7.447 1.00 18.95 H new ATOM 1319 N MET B 14 0.161 20.775 4.990 1.00 10.71 N ATOM 1320 CA MET B 14 -0.546 19.676 4.337 1.00 10.27 C ATOM 1321 C MET B 14 -1.615 20.145 3.336 1.00 8.65 C ATOM 1322 O MET B 14 -2.267 21.170 3.540 1.00 10.20 O ATOM 1323 CB MET B 14 -1.216 18.815 5.419 1.00 11.59 C ATOM 1324 CG MET B 14 -1.880 17.545 4.857 1.00 11.63 C ATOM 1325 SD MET B 14 -2.561 16.439 6.125 1.00 11.38 S ATOM 1326 CE MET B 14 -1.017 15.711 6.621 1.00 15.31 C ATOM 0 H MET B 14 -0.242 21.097 5.678 1.00 10.71 H new ATOM 0 HA MET B 14 0.110 19.172 3.830 1.00 10.27 H new ATOM 0 HB2 MET B 14 -0.552 18.561 6.079 1.00 11.59 H new ATOM 0 HB3 MET B 14 -1.885 19.346 5.879 1.00 11.59 H new ATOM 0 HG2 MET B 14 -2.593 17.805 4.252 1.00 11.63 H new ATOM 0 HG3 MET B 14 -1.227 17.056 4.332 1.00 11.63 H new ATOM 0 HE1 MET B 14 -1.173 14.809 6.942 1.00 15.31 H new ATOM 0 HE2 MET B 14 -0.413 15.684 5.862 1.00 15.31 H new ATOM 0 HE3 MET B 14 -0.621 16.242 7.329 1.00 15.31 H new ATOM 1327 N SER B 15 -1.774 19.412 2.249 1.00 9.36 N ATOM 1328 CA SER B 15 -2.813 19.761 1.302 1.00 9.12 C ATOM 1329 C SER B 15 -4.199 19.354 1.781 1.00 9.77 C ATOM 1330 O SER B 15 -4.324 18.413 2.577 1.00 9.73 O ATOM 1331 CB SER B 15 -2.515 19.033 -0.033 1.00 8.88 C ATOM 1332 OG SER B 15 -2.618 17.612 0.052 1.00 9.77 O ATOM 0 H SER B 15 -1.302 18.723 2.044 1.00 9.36 H new ATOM 0 HA SER B 15 -2.812 20.725 1.197 1.00 9.12 H new ATOM 0 HB2 SER B 15 -3.130 19.354 -0.711 1.00 8.88 H new ATOM 0 HB3 SER B 15 -1.621 19.267 -0.327 1.00 8.88 H new ATOM 0 HG SER B 15 -2.448 17.273 -0.698 1.00 9.77 H new ATOM 1333 N AHIS B 16 -5.213 20.022 1.256 0.50 9.03 N ATOM 1334 N BHIS B 16 -5.208 20.045 1.260 0.50 9.70 N ATOM 1335 CA AHIS B 16 -6.570 19.602 1.571 0.50 8.78 C ATOM 1336 CA BHIS B 16 -6.594 19.649 1.511 0.50 10.28 C ATOM 1337 C AHIS B 16 -6.826 18.190 1.082 0.50 9.50 C ATOM 1338 C BHIS B 16 -6.811 18.202 1.088 0.50 10.27 C ATOM 1339 O AHIS B 16 -7.526 17.437 1.712 0.50 10.61 O ATOM 1340 O BHIS B 16 -7.455 17.438 1.776 0.50 11.24 O ATOM 1341 CB AHIS B 16 -7.584 20.562 0.951 0.50 9.78 C ATOM 1342 CB BHIS B 16 -7.559 20.569 0.744 0.50 11.47 C ATOM 1343 CG AHIS B 16 -7.693 21.869 1.669 0.50 9.56 C ATOM 1344 CG BHIS B 16 -8.998 20.181 0.881 0.50 14.82 C ATOM 1345 ND1AHIS B 16 -8.432 22.020 2.830 0.50 10.57 N ATOM 1346 ND1BHIS B 16 -9.793 20.637 1.909 0.50 17.96 N ATOM 1347 CD2AHIS B 16 -7.177 23.085 1.386 0.50 11.61 C ATOM 1348 CD2BHIS B 16 -9.782 19.385 0.119 0.50 16.88 C ATOM 1349 CE1AHIS B 16 -8.352 23.277 3.230 0.50 10.75 C ATOM 1350 CE1BHIS B 16 -11.004 20.112 1.793 0.50 16.56 C ATOM 1351 NE2AHIS B 16 -7.608 23.947 2.360 0.50 10.67 N ATOM 1352 NE2BHIS B 16 -11.033 19.369 0.698 0.50 19.21 N ATOM 0 H AHIS B 16 -5.144 20.700 0.731 0.50 9.70 H new ATOM 0 H BHIS B 16 -5.115 20.740 0.763 0.50 9.70 H new ATOM 0 HA AHIS B 16 -6.672 19.617 2.535 0.50 10.28 H new ATOM 0 HA BHIS B 16 -6.772 19.730 2.461 0.50 10.28 H new ATOM 0 HB2AHIS B 16 -7.337 20.729 0.028 0.50 11.47 H new ATOM 0 HB2BHIS B 16 -7.446 21.479 1.061 0.50 11.47 H new ATOM 0 HB3AHIS B 16 -8.455 20.136 0.938 0.50 11.47 H new ATOM 0 HB3BHIS B 16 -7.319 20.564 -0.196 0.50 11.47 H new ATOM 0 HD1AHIS B 16 -8.872 21.397 3.227 0.50 17.96 H new ATOM 0 HD1BHIS B 16 -9.543 21.178 2.529 0.50 17.96 H new ATOM 0 HD2AHIS B 16 -6.631 23.298 0.664 0.50 16.88 H new ATOM 0 HD2BHIS B 16 -9.525 18.933 -0.652 0.50 16.88 H new ATOM 0 HE1AHIS B 16 -8.750 23.632 3.992 0.50 16.56 H new ATOM 0 HE1BHIS B 16 -11.713 20.243 2.381 0.50 16.56 H new ATOM 1353 N GLU B 17 -6.237 17.819 -0.051 1.00 9.73 N ATOM 1354 CA GLU B 17 -6.430 16.502 -0.568 1.00 10.74 C ATOM 1355 C GLU B 17 -5.953 15.418 0.396 1.00 10.47 C ATOM 1356 O GLU B 17 -6.635 14.429 0.708 1.00 11.10 O ATOM 1357 CB GLU B 17 -5.703 16.395 -1.949 1.00 11.32 C ATOM 1358 CG GLU B 17 -5.912 15.085 -2.660 1.00 12.44 C ATOM 1359 CD GLU B 17 -5.049 14.948 -3.905 1.00 12.74 C ATOM 1360 OE1 GLU B 17 -5.391 15.630 -4.892 1.00 19.69 O ATOM 1361 OE2 GLU B 17 -4.157 14.149 -3.818 1.00 12.56 O ATOM 0 H AGLU B 17 -5.726 18.324 -0.524 0.50 9.73 H new ATOM 0 H BGLU B 17 -5.731 18.322 -0.531 0.50 9.73 H new ATOM 0 HA GLU B 17 -7.381 16.352 -0.683 1.00 10.74 H new ATOM 0 HB2 GLU B 17 -6.012 17.114 -2.522 1.00 11.32 H new ATOM 0 HB3 GLU B 17 -4.752 16.529 -1.813 1.00 11.32 H new ATOM 0 HG2 GLU B 17 -5.713 14.356 -2.052 1.00 12.44 H new ATOM 0 HG3 GLU B 17 -6.846 15.001 -2.908 1.00 12.44 H new ATOM 1362 N GLN B 18 -4.770 15.598 0.971 1.00 10.18 N ATOM 1363 CA GLN B 18 -4.242 14.614 1.869 1.00 9.06 C ATOM 1364 C GLN B 18 -5.025 14.648 3.214 1.00 9.65 C ATOM 1365 O GLN B 18 -5.223 13.592 3.818 1.00 10.06 O ATOM 1366 CB GLN B 18 -2.718 14.914 2.163 1.00 10.37 C ATOM 1367 CG GLN B 18 -2.047 13.777 2.922 1.00 10.88 C ATOM 1368 CD GLN B 18 -1.929 12.491 2.073 1.00 14.63 C ATOM 1369 OE1 GLN B 18 -1.619 12.562 0.885 1.00 14.92 O ATOM 1370 NE2 GLN B 18 -2.214 11.325 2.652 1.00 15.23 N ATOM 0 H GLN B 18 -4.267 16.285 0.848 1.00 10.18 H new ATOM 0 HA GLN B 18 -4.332 13.740 1.457 1.00 9.06 H new ATOM 0 HB2 GLN B 18 -2.251 15.062 1.326 1.00 10.37 H new ATOM 0 HB3 GLN B 18 -2.644 15.733 2.678 1.00 10.37 H new ATOM 0 HG2 GLN B 18 -1.162 14.058 3.204 1.00 10.88 H new ATOM 0 HG3 GLN B 18 -2.554 13.585 3.727 1.00 10.88 H new ATOM 0 HE21 GLN B 18 -2.428 11.299 3.484 1.00 15.23 H new ATOM 0 HE22 GLN B 18 -2.184 10.598 2.193 1.00 15.23 H new ATOM 1371 N PHE B 19 -5.362 15.843 3.644 1.00 9.98 N ATOM 1372 CA PHE B 19 -6.104 15.963 4.928 1.00 8.54 C ATOM 1373 C PHE B 19 -7.394 15.124 4.831 1.00 9.42 C ATOM 1374 O PHE B 19 -7.737 14.462 5.816 1.00 8.71 O ATOM 1375 CB PHE B 19 -6.406 17.408 5.161 1.00 9.42 C ATOM 1376 CG PHE B 19 -7.278 17.660 6.410 1.00 7.95 C ATOM 1377 CD1 PHE B 19 -6.730 17.599 7.677 1.00 9.32 C ATOM 1378 CD2 PHE B 19 -8.623 17.944 6.231 1.00 8.74 C ATOM 1379 CE1 PHE B 19 -7.566 17.784 8.813 1.00 9.56 C ATOM 1380 CE2 PHE B 19 -9.449 18.217 7.370 1.00 9.46 C ATOM 1381 CZ PHE B 19 -8.912 18.089 8.620 1.00 9.44 C ATOM 0 H PHE B 19 -5.189 16.584 3.242 1.00 9.98 H new ATOM 0 HA PHE B 19 -5.581 15.631 5.674 1.00 8.54 H new ATOM 0 HB2 PHE B 19 -5.572 17.895 5.254 1.00 9.42 H new ATOM 0 HB3 PHE B 19 -6.858 17.767 4.381 1.00 9.42 H new ATOM 0 HD1 PHE B 19 -5.821 17.438 7.786 1.00 9.32 H new ATOM 0 HD2 PHE B 19 -8.988 17.957 5.376 1.00 8.74 H new ATOM 0 HE1 PHE B 19 -7.219 17.703 9.672 1.00 9.56 H new ATOM 0 HE2 PHE B 19 -10.335 18.477 7.260 1.00 9.46 H new ATOM 0 HZ PHE B 19 -9.460 18.209 9.362 1.00 9.44 H new ATOM 1382 N ARG B 20 -8.137 15.211 3.729 1.00 9.16 N ATOM 1383 CA AARG B 20 -9.341 14.386 3.533 0.50 10.28 C ATOM 1384 CA BARG B 20 -9.338 14.367 3.551 0.50 9.92 C ATOM 1385 C ARG B 20 -9.024 12.903 3.763 1.00 10.20 C ATOM 1386 O ARG B 20 -9.751 12.164 4.483 1.00 10.68 O ATOM 1387 CB AARG B 20 -9.966 14.654 2.145 0.50 11.36 C ATOM 1388 CB BARG B 20 -9.998 14.562 2.181 0.50 11.22 C ATOM 1389 CG AARG B 20 -11.426 14.227 2.031 0.50 13.29 C ATOM 1390 CG BARG B 20 -11.149 13.576 1.957 0.50 10.34 C ATOM 1391 CD AARG B 20 -11.989 14.520 0.640 0.50 12.65 C ATOM 1392 CD BARG B 20 -11.820 13.854 0.592 0.50 15.73 C ATOM 1393 NE AARG B 20 -13.375 14.053 0.475 0.50 16.06 N ATOM 1394 NE BARG B 20 -13.152 13.263 0.549 0.50 20.59 N ATOM 1395 CZ AARG B 20 -13.748 12.756 0.511 0.50 15.93 C ATOM 1396 CZ BARG B 20 -14.283 13.896 0.202 0.50 18.05 C ATOM 1397 NH1AARG B 20 -12.870 11.783 0.726 0.50 16.72 N ATOM 1398 NH1BARG B 20 -14.303 15.159 -0.196 0.50 19.58 N ATOM 1399 NH2AARG B 20 -15.010 12.418 0.351 0.50 17.43 N ATOM 1400 NH2BARG B 20 -15.415 13.228 0.232 0.50 22.36 N ATOM 0 H AARG B 20 -7.964 15.744 3.076 0.50 9.16 H new ATOM 0 H BARG B 20 -7.972 15.744 3.075 0.50 9.16 H new ATOM 0 HA AARG B 20 -10.006 14.636 4.193 0.50 9.92 H new ATOM 0 HA BARG B 20 -9.969 14.656 4.229 0.50 9.92 H new ATOM 0 HB2AARG B 20 -9.899 15.601 1.948 0.50 11.22 H new ATOM 0 HB2BARG B 20 -10.332 15.470 2.109 0.50 11.22 H new ATOM 0 HB3AARG B 20 -9.448 14.186 1.471 0.50 11.22 H new ATOM 0 HB3BARG B 20 -9.334 14.448 1.483 0.50 11.22 H new ATOM 0 HG2AARG B 20 -11.502 13.278 2.219 0.50 10.34 H new ATOM 0 HG2BARG B 20 -10.815 12.666 1.983 0.50 10.34 H new ATOM 0 HG3AARG B 20 -11.953 14.692 2.699 0.50 10.34 H new ATOM 0 HG3BARG B 20 -11.801 13.660 2.670 0.50 10.34 H new ATOM 0 HD2AARG B 20 -11.952 15.475 0.476 0.50 15.73 H new ATOM 0 HD2BARG B 20 -11.880 14.811 0.443 0.50 15.73 H new ATOM 0 HD3AARG B 20 -11.428 14.096 -0.027 0.50 15.73 H new ATOM 0 HD3BARG B 20 -11.275 13.489 -0.123 0.50 15.73 H new ATOM 0 HE AARG B 20 -13.986 14.644 0.347 0.50 20.59 H new ATOM 0 HE BARG B 20 -13.219 12.433 0.766 0.50 20.59 H new ATOM 0 HH11AARG B 20 -12.040 11.972 0.847 0.50 19.58 H new ATOM 0 HH11BARG B 20 -13.571 15.608 -0.240 0.50 19.58 H new ATOM 0 HH12AARG B 20 -13.132 10.964 0.745 0.50 19.58 H new ATOM 0 HH12BARG B 20 -15.048 15.531 -0.410 0.50 19.58 H new ATOM 0 HH21AARG B 20 -15.605 13.026 0.222 0.50 22.36 H new ATOM 0 HH21BARG B 20 -15.421 12.402 0.471 0.50 22.36 H new ATOM 0 HH22AARG B 20 -15.240 11.590 0.375 0.50 22.36 H new ATOM 0 HH22BARG B 20 -16.150 13.617 0.013 0.50 22.36 H new ATOM 1401 N LYS B 21 -7.963 12.396 3.135 1.00 9.68 N ATOM 1402 CA ALYS B 21 -7.545 10.987 3.270 0.50 10.60 C ATOM 1403 CA BLYS B 21 -7.622 10.982 3.265 0.50 10.36 C ATOM 1404 C LYS B 21 -7.264 10.674 4.730 1.00 10.06 C ATOM 1405 O LYS B 21 -7.632 9.605 5.244 1.00 11.77 O ATOM 1406 CB ALYS B 21 -6.238 10.711 2.480 0.50 10.58 C ATOM 1407 CB BLYS B 21 -6.464 10.616 2.311 0.50 10.30 C ATOM 1408 CG ALYS B 21 -6.349 10.801 0.975 0.50 12.83 C ATOM 1409 CG BLYS B 21 -6.848 10.542 0.842 0.50 12.79 C ATOM 1410 CD ALYS B 21 -5.063 10.238 0.339 0.50 10.99 C ATOM 1411 CD BLYS B 21 -5.574 10.495 0.004 0.50 11.43 C ATOM 1412 CE ALYS B 21 -5.116 10.210 -1.204 0.50 13.21 C ATOM 1413 CE BLYS B 21 -5.869 10.718 -1.461 0.50 15.32 C ATOM 1414 NZ ALYS B 21 -5.465 11.530 -1.831 0.50 14.75 N ATOM 1415 NZ BLYS B 21 -4.553 10.791 -2.108 0.50 14.78 N ATOM 0 H ALYS B 21 -7.459 12.858 2.614 0.50 9.68 H new ATOM 0 H BLYS B 21 -7.433 12.850 2.633 0.50 9.68 H new ATOM 0 HA ALYS B 21 -8.263 10.436 2.922 0.50 10.36 H new ATOM 0 HA BLYS B 21 -8.386 10.440 3.015 0.50 10.36 H new ATOM 0 HB2ALYS B 21 -5.562 11.340 2.776 0.50 10.30 H new ATOM 0 HB2BLYS B 21 -5.757 11.272 2.415 0.50 10.30 H new ATOM 0 HB3ALYS B 21 -5.921 9.824 2.712 0.50 10.30 H new ATOM 0 HB3BLYS B 21 -6.098 9.759 2.580 0.50 10.30 H new ATOM 0 HG2ALYS B 21 -7.121 10.302 0.666 0.50 12.79 H new ATOM 0 HG2BLYS B 21 -7.389 9.754 0.675 0.50 12.79 H new ATOM 0 HG3ALYS B 21 -6.480 11.723 0.704 0.50 12.79 H new ATOM 0 HG3BLYS B 21 -7.384 11.312 0.596 0.50 12.79 H new ATOM 0 HD2ALYS B 21 -4.306 10.775 0.622 0.50 11.43 H new ATOM 0 HD2BLYS B 21 -4.954 11.172 0.317 0.50 11.43 H new ATOM 0 HD3ALYS B 21 -4.912 9.338 0.669 0.50 11.43 H new ATOM 0 HD3BLYS B 21 -5.139 9.636 0.121 0.50 11.43 H new ATOM 0 HE2ALYS B 21 -4.254 9.920 -1.542 0.50 15.32 H new ATOM 0 HE2BLYS B 21 -6.400 9.993 -1.826 0.50 15.32 H new ATOM 0 HE3ALYS B 21 -5.768 9.548 -1.483 0.50 15.32 H new ATOM 0 HE3BLYS B 21 -6.373 11.536 -1.597 0.50 15.32 H new ATOM 0 HZ1ALYS B 21 -5.297 11.498 -2.704 0.50 14.78 H new ATOM 0 HZ1BLYS B 21 -4.656 10.792 -2.992 0.50 14.78 H new ATOM 0 HZ2ALYS B 21 -6.329 11.701 -1.702 0.50 14.78 H new ATOM 0 HZ2BLYS B 21 -4.140 11.538 -1.857 0.50 14.78 H new ATOM 0 HZ3ALYS B 21 -4.977 12.174 -1.459 0.50 14.78 H new ATOM 0 HZ3BLYS B 21 -4.064 10.087 -1.867 0.50 14.78 H new ATOM 1416 N GLU B 22 -6.596 11.587 5.409 1.00 10.00 N ATOM 1417 CA GLU B 22 -6.229 11.309 6.783 1.00 10.50 C ATOM 1418 C GLU B 22 -7.435 11.366 7.733 1.00 11.44 C ATOM 1419 O GLU B 22 -7.403 10.674 8.782 1.00 10.78 O ATOM 1420 CB GLU B 22 -5.147 12.208 7.259 1.00 10.32 C ATOM 1421 CG GLU B 22 -3.823 12.075 6.421 1.00 11.95 C ATOM 1422 CD GLU B 22 -3.380 10.657 6.305 1.00 15.51 C ATOM 1423 OE1 GLU B 22 -3.403 9.871 7.303 1.00 14.13 O ATOM 1424 OE2 GLU B 22 -2.927 10.269 5.196 1.00 16.91 O ATOM 0 H GLU B 22 -6.351 12.353 5.105 1.00 10.00 H new ATOM 0 HA GLU B 22 -5.891 10.400 6.793 1.00 10.50 H new ATOM 0 HB2 GLU B 22 -5.457 13.126 7.221 1.00 10.32 H new ATOM 0 HB3 GLU B 22 -4.956 12.011 8.189 1.00 10.32 H new ATOM 0 HG2 GLU B 22 -3.963 12.443 5.535 1.00 11.95 H new ATOM 0 HG3 GLU B 22 -3.122 12.599 6.839 1.00 11.95 H new ATOM 1425 N CYS B 23 -8.439 12.171 7.407 1.00 9.45 N ATOM 1426 CA CYS B 23 -9.693 12.081 8.216 1.00 9.21 C ATOM 1427 C CYS B 23 -10.268 10.669 8.126 1.00 10.20 C ATOM 1428 O CYS B 23 -10.689 10.091 9.148 1.00 9.99 O ATOM 1429 CB CYS B 23 -10.690 13.086 7.677 1.00 9.69 C ATOM 1430 SG CYS B 23 -10.389 14.783 8.061 1.00 10.19 S ATOM 0 H CYS B 23 -8.438 12.746 6.768 1.00 9.45 H new ATOM 0 HA CYS B 23 -9.502 12.277 9.147 1.00 9.21 H new ATOM 0 HB2 CYS B 23 -10.721 12.995 6.712 1.00 9.69 H new ATOM 0 HB3 CYS B 23 -11.569 12.851 8.013 1.00 9.69 H new ATOM 0 HG CYS B 23 -11.249 15.463 7.573 1.00 10.19 H new ATOM 1431 N VAL B 24 -10.299 10.080 6.922 1.00 10.09 N ATOM 1432 CA VAL B 24 -10.810 8.729 6.778 1.00 10.42 C ATOM 1433 C VAL B 24 -9.940 7.730 7.517 1.00 11.04 C ATOM 1434 O VAL B 24 -10.473 6.852 8.234 1.00 11.64 O ATOM 1435 CB VAL B 24 -10.904 8.354 5.300 1.00 11.41 C ATOM 1436 CG1 VAL B 24 -11.193 6.847 5.121 1.00 14.23 C ATOM 1437 CG2 VAL B 24 -11.906 9.240 4.592 1.00 12.26 C ATOM 0 H VAL B 24 -10.031 10.447 6.192 1.00 10.09 H new ATOM 0 HA VAL B 24 -11.697 8.702 7.169 1.00 10.42 H new ATOM 0 HB VAL B 24 -10.044 8.512 4.881 1.00 11.41 H new ATOM 0 HG11 VAL B 24 -11.247 6.638 4.175 1.00 14.23 H new ATOM 0 HG12 VAL B 24 -10.479 6.330 5.526 1.00 14.23 H new ATOM 0 HG13 VAL B 24 -12.035 6.626 5.550 1.00 14.23 H new ATOM 0 HG21 VAL B 24 -11.954 8.990 3.656 1.00 12.26 H new ATOM 0 HG22 VAL B 24 -12.779 9.132 5.001 1.00 12.26 H new ATOM 0 HG23 VAL B 24 -11.628 10.166 4.665 1.00 12.26 H new ATOM 1438 N VAL B 25 -8.618 7.865 7.437 1.00 11.20 N ATOM 1439 CA VAL B 25 -7.753 6.984 8.218 1.00 12.35 C ATOM 1440 C VAL B 25 -8.058 7.124 9.725 1.00 11.34 C ATOM 1441 O VAL B 25 -8.077 6.141 10.480 1.00 11.00 O ATOM 1442 CB VAL B 25 -6.247 7.296 7.942 1.00 12.97 C ATOM 1443 CG1 VAL B 25 -5.334 6.576 8.967 1.00 14.66 C ATOM 1444 CG2 VAL B 25 -5.878 6.918 6.488 1.00 12.97 C ATOM 0 H VAL B 25 -8.210 8.445 6.950 1.00 11.20 H new ATOM 0 HA VAL B 25 -7.931 6.070 7.947 1.00 12.35 H new ATOM 0 HB VAL B 25 -6.104 8.249 8.049 1.00 12.97 H new ATOM 0 HG11 VAL B 25 -4.406 6.784 8.776 1.00 14.66 H new ATOM 0 HG12 VAL B 25 -5.554 6.875 9.863 1.00 14.66 H new ATOM 0 HG13 VAL B 25 -5.470 5.618 8.904 1.00 14.66 H new ATOM 0 HG21 VAL B 25 -4.942 7.116 6.330 1.00 12.97 H new ATOM 0 HG22 VAL B 25 -6.035 5.971 6.350 1.00 12.97 H new ATOM 0 HG23 VAL B 25 -6.425 7.430 5.872 1.00 12.97 H new ATOM 1445 N HIS B 26 -8.236 8.351 10.186 1.00 9.66 N ATOM 1446 CA HIS B 26 -8.496 8.562 11.636 1.00 9.78 C ATOM 1447 C HIS B 26 -9.798 7.884 12.054 1.00 10.35 C ATOM 1448 O HIS B 26 -9.866 7.249 13.144 1.00 10.78 O ATOM 1449 CB HIS B 26 -8.605 10.038 11.936 1.00 9.90 C ATOM 1450 CG HIS B 26 -8.106 10.399 13.290 1.00 9.34 C ATOM 1451 ND1 HIS B 26 -6.847 10.033 13.731 1.00 10.86 N ATOM 1452 CD2 HIS B 26 -8.692 11.088 14.303 1.00 11.36 C ATOM 1453 CE1 HIS B 26 -6.670 10.503 14.954 1.00 13.15 C ATOM 1454 NE2 HIS B 26 -7.781 11.141 15.327 1.00 12.63 N ATOM 0 H HIS B 26 -8.215 9.065 9.708 1.00 9.66 H new ATOM 0 HA HIS B 26 -7.756 8.176 12.131 1.00 9.78 H new ATOM 0 HB2 HIS B 26 -8.105 10.535 11.270 1.00 9.90 H new ATOM 0 HB3 HIS B 26 -9.532 10.311 11.856 1.00 9.90 H new ATOM 0 HD1 HIS B 26 -6.273 9.575 13.283 1.00 10.86 H new ATOM 0 HD2 HIS B 26 -9.547 11.454 14.302 1.00 11.36 H new ATOM 0 HE1 HIS B 26 -5.901 10.405 15.468 1.00 13.15 H new ATOM 1455 N PHE B 27 -10.828 7.940 11.199 1.00 10.06 N ATOM 1456 CA PHE B 27 -12.044 7.169 11.494 1.00 10.58 C ATOM 1457 C PHE B 27 -11.767 5.661 11.557 1.00 11.60 C ATOM 1458 O PHE B 27 -12.177 4.951 12.498 1.00 11.55 O ATOM 1459 CB PHE B 27 -13.152 7.468 10.456 1.00 11.54 C ATOM 1460 CG PHE B 27 -14.365 6.629 10.714 1.00 12.60 C ATOM 1461 CD1 PHE B 27 -15.306 7.013 11.679 1.00 16.79 C ATOM 1462 CD2 PHE B 27 -14.464 5.366 10.146 1.00 14.68 C ATOM 1463 CE1 PHE B 27 -16.395 6.183 11.961 1.00 17.72 C ATOM 1464 CE2 PHE B 27 -15.567 4.518 10.449 1.00 15.86 C ATOM 1465 CZ PHE B 27 -16.523 4.950 11.369 1.00 17.99 C ATOM 0 H PHE B 27 -10.845 8.398 10.472 1.00 10.06 H new ATOM 0 HA PHE B 27 -12.352 7.449 12.370 1.00 10.58 H new ATOM 0 HB2 PHE B 27 -13.390 8.408 10.493 1.00 11.54 H new ATOM 0 HB3 PHE B 27 -12.818 7.295 9.562 1.00 11.54 H new ATOM 0 HD1 PHE B 27 -15.206 7.819 12.131 1.00 16.79 H new ATOM 0 HD2 PHE B 27 -13.803 5.071 9.562 1.00 14.68 H new ATOM 0 HE1 PHE B 27 -17.045 6.471 12.561 1.00 17.72 H new ATOM 0 HE2 PHE B 27 -15.649 3.687 10.039 1.00 15.86 H new ATOM 0 HZ PHE B 27 -17.246 4.404 11.581 1.00 17.99 H new ATOM 1466 N GLN B 28 -11.041 5.132 10.582 1.00 12.40 N ATOM 1467 CA GLN B 28 -10.688 3.705 10.603 1.00 13.32 C ATOM 1468 C GLN B 28 -9.920 3.302 11.867 1.00 13.69 C ATOM 1469 O GLN B 28 -10.201 2.235 12.462 1.00 15.11 O ATOM 1470 CB GLN B 28 -9.865 3.391 9.344 1.00 14.52 C ATOM 1471 CG GLN B 28 -10.701 3.486 8.095 1.00 18.38 C ATOM 1472 CD GLN B 28 -9.923 3.468 6.772 1.00 22.90 C ATOM 1473 OE1 GLN B 28 -8.716 3.733 6.727 1.00 24.02 O ATOM 1474 NE2 GLN B 28 -10.641 3.164 5.685 1.00 30.06 N ATOM 0 H GLN B 28 -10.743 5.569 9.904 1.00 12.40 H new ATOM 0 HA GLN B 28 -11.508 3.187 10.612 1.00 13.32 H new ATOM 0 HB2 GLN B 28 -9.119 4.008 9.282 1.00 14.52 H new ATOM 0 HB3 GLN B 28 -9.490 2.499 9.416 1.00 14.52 H new ATOM 0 HG2 GLN B 28 -11.332 2.749 8.091 1.00 18.38 H new ATOM 0 HG3 GLN B 28 -11.221 4.304 8.135 1.00 18.38 H new ATOM 0 HE21 GLN B 28 -11.479 2.986 5.759 1.00 30.06 H new ATOM 0 HE22 GLN B 28 -10.265 3.147 4.912 1.00 30.06 H new ATOM 1475 N MET B 29 -9.022 4.161 12.300 1.00 13.71 N ATOM 1476 CA MET B 29 -8.238 3.920 13.524 1.00 15.30 C ATOM 1477 C MET B 29 -9.072 3.929 14.786 1.00 16.38 C ATOM 1478 O MET B 29 -8.588 3.435 15.847 1.00 18.51 O ATOM 1479 CB MET B 29 -7.089 4.878 13.657 1.00 15.54 C ATOM 1480 CG MET B 29 -6.038 4.623 12.593 1.00 17.52 C ATOM 1481 SD MET B 29 -4.674 5.810 12.816 1.00 20.63 S ATOM 1482 CE MET B 29 -3.966 5.132 14.331 1.00 19.87 C ATOM 0 H MET B 29 -8.840 4.902 11.904 1.00 13.71 H new ATOM 0 HA MET B 29 -7.884 3.023 13.422 1.00 15.30 H new ATOM 0 HB2 MET B 29 -7.414 5.789 13.583 1.00 15.54 H new ATOM 0 HB3 MET B 29 -6.691 4.789 14.537 1.00 15.54 H new ATOM 0 HG2 MET B 29 -5.706 3.714 12.660 1.00 17.52 H new ATOM 0 HG3 MET B 29 -6.425 4.719 11.709 1.00 17.52 H new ATOM 0 HE1 MET B 29 -3.094 5.528 14.487 1.00 19.87 H new ATOM 0 HE2 MET B 29 -4.550 5.332 15.079 1.00 19.87 H new ATOM 0 HE3 MET B 29 -3.873 4.171 14.243 1.00 19.87 H new ATOM 1483 N SER B 30 -10.270 4.524 14.734 1.00 14.11 N ATOM 1484 CA SER B 30 -11.104 4.640 15.944 1.00 14.76 C ATOM 1485 C SER B 30 -11.798 3.333 16.256 1.00 16.31 C ATOM 1486 O SER B 30 -12.286 3.138 17.397 1.00 14.79 O ATOM 1487 CB SER B 30 -12.103 5.784 15.778 1.00 14.38 C ATOM 1488 OG SER B 30 -13.151 5.442 14.935 1.00 14.47 O ATOM 0 H SER B 30 -10.615 4.862 14.023 1.00 14.11 H new ATOM 0 HA SER B 30 -10.532 4.843 16.700 1.00 14.76 H new ATOM 0 HB2 SER B 30 -12.456 6.033 16.647 1.00 14.38 H new ATOM 0 HB3 SER B 30 -11.646 6.563 15.424 1.00 14.38 H new ATOM 0 HG SER B 30 -12.844 5.168 14.203 1.00 14.47 H new ATOM 1489 N ALA B 31 -11.901 2.432 15.271 1.00 15.32 N ATOM 1490 CA ALA B 31 -12.682 1.166 15.415 1.00 16.17 C ATOM 1491 C ALA B 31 -12.141 0.348 16.561 1.00 15.67 C ATOM 1492 O ALA B 31 -10.934 0.074 16.660 1.00 17.82 O ATOM 1493 CB ALA B 31 -12.630 0.317 14.119 1.00 17.55 C ATOM 0 H ALA B 31 -11.527 2.526 14.502 1.00 15.32 H new ATOM 0 HA ALA B 31 -13.604 1.411 15.589 1.00 16.17 H new ATOM 0 HB1 ALA B 31 -13.145 -0.496 14.243 1.00 17.55 H new ATOM 0 HB2 ALA B 31 -13.004 0.826 13.383 1.00 17.55 H new ATOM 0 HB3 ALA B 31 -11.709 0.088 13.918 1.00 17.55 H new ATOM 1494 N GLY B 32 -13.044 -0.002 17.471 1.00 14.03 N ATOM 1495 CA GLY B 32 -12.726 -0.831 18.591 1.00 15.93 C ATOM 1496 C GLY B 32 -11.934 -0.177 19.704 1.00 14.75 C ATOM 1497 O GLY B 32 -11.446 -0.891 20.593 1.00 18.09 O ATOM 0 H GLY B 32 -13.867 0.246 17.442 1.00 14.03 H new ATOM 0 HA2 GLY B 32 -13.555 -1.169 18.965 1.00 15.93 H new ATOM 0 HA3 GLY B 32 -12.225 -1.598 18.270 1.00 15.93 H new ATOM 1498 N AMET B 33 -11.820 1.142 19.706 0.50 14.52 N ATOM 1499 N BMET B 33 -11.831 1.166 19.707 0.50 14.95 N ATOM 1500 CA AMET B 33 -11.007 1.721 20.732 0.50 14.17 C ATOM 1501 CA BMET B 33 -11.059 1.984 20.687 0.50 14.80 C ATOM 1502 C AMET B 33 -11.748 1.542 22.053 0.50 14.92 C ATOM 1503 C BMET B 33 -11.661 1.815 22.121 0.50 15.48 C ATOM 1504 O AMET B 33 -12.972 1.768 22.134 0.50 11.97 O ATOM 1505 O BMET B 33 -12.713 2.350 22.357 0.50 13.24 O ATOM 1506 CB AMET B 33 -10.755 3.161 20.461 0.50 13.71 C ATOM 1507 CB BMET B 33 -11.214 3.453 20.246 0.50 15.51 C ATOM 1508 CG AMET B 33 -9.897 3.819 21.513 0.50 11.78 C ATOM 1509 CG BMET B 33 -10.585 4.573 21.113 0.50 13.86 C ATOM 1510 SD AMET B 33 -9.640 5.550 21.010 0.50 15.70 S ATOM 1511 SD BMET B 33 -8.807 4.419 20.917 0.50 18.66 S ATOM 1512 CE AMET B 33 -9.435 5.368 19.223 0.50 15.20 C ATOM 1513 CE BMET B 33 -8.368 6.103 21.140 0.50 20.67 C ATOM 0 H AMET B 33 -12.187 1.687 19.151 0.50 14.95 H new ATOM 0 H BMET B 33 -12.224 1.650 19.115 0.50 14.95 H new ATOM 0 HA AMET B 33 -10.142 1.284 20.764 0.50 14.80 H new ATOM 0 HA BMET B 33 -10.129 1.709 20.711 0.50 14.80 H new ATOM 0 HB2AMET B 33 -10.324 3.251 19.597 0.50 15.51 H new ATOM 0 HB2BMET B 33 -10.842 3.531 19.354 0.50 15.51 H new ATOM 0 HB3AMET B 33 -11.604 3.628 20.405 0.50 15.51 H new ATOM 0 HB3BMET B 33 -12.164 3.638 20.174 0.50 15.51 H new ATOM 0 HG2AMET B 33 -10.329 3.777 22.380 0.50 13.86 H new ATOM 0 HG2BMET B 33 -10.891 5.447 20.825 0.50 13.86 H new ATOM 0 HG3AMET B 33 -9.047 3.359 21.597 0.50 13.86 H new ATOM 0 HG3BMET B 33 -10.841 4.476 22.044 0.50 13.86 H new ATOM 0 HE1AMET B 33 -8.985 6.150 18.867 0.50 20.67 H new ATOM 0 HE1BMET B 33 -7.423 6.219 20.954 0.50 20.67 H new ATOM 0 HE2AMET B 33 -8.904 4.578 19.037 0.50 20.67 H new ATOM 0 HE2BMET B 33 -8.887 6.656 20.535 0.50 20.67 H new ATOM 0 HE3AMET B 33 -10.306 5.278 18.805 0.50 20.67 H new ATOM 0 HE3BMET B 33 -8.551 6.367 22.055 0.50 20.67 H new ATOM 1514 N PRO B 34 -11.025 1.089 23.083 1.00 16.02 N ATOM 1515 CA PRO B 34 -11.742 0.909 24.345 1.00 16.20 C ATOM 1516 C PRO B 34 -12.255 2.245 24.922 1.00 13.19 C ATOM 1517 O PRO B 34 -11.586 3.278 24.880 1.00 14.09 O ATOM 1518 CB PRO B 34 -10.734 0.190 25.287 1.00 17.92 C ATOM 1519 CG PRO B 34 -9.757 -0.441 24.299 1.00 19.57 C ATOM 1520 CD PRO B 34 -9.663 0.493 23.134 1.00 18.15 C ATOM 0 HA PRO B 34 -12.548 0.382 24.228 1.00 16.20 H new ATOM 0 HB2 PRO B 34 -10.292 0.812 25.886 1.00 17.92 H new ATOM 0 HB3 PRO B 34 -11.169 -0.477 25.841 1.00 17.92 H new ATOM 0 HG2 PRO B 34 -8.887 -0.569 24.709 1.00 19.57 H new ATOM 0 HG3 PRO B 34 -10.069 -1.315 24.016 1.00 19.57 H new ATOM 0 HD2 PRO B 34 -8.979 1.168 23.267 1.00 18.15 H new ATOM 0 HD3 PRO B 34 -9.443 0.025 22.313 1.00 18.15 H new ATOM 1521 N GLY B 35 -13.458 2.127 25.468 1.00 12.40 N ATOM 1522 CA GLY B 35 -14.109 3.237 26.159 1.00 11.31 C ATOM 1523 C GLY B 35 -14.893 4.143 25.207 1.00 10.39 C ATOM 1524 O GLY B 35 -15.719 4.922 25.679 1.00 10.35 O ATOM 0 H GLY B 35 -13.922 1.403 25.450 1.00 12.40 H new ATOM 0 HA2 GLY B 35 -14.710 2.885 26.834 1.00 11.31 H new ATOM 0 HA3 GLY B 35 -13.439 3.763 26.622 1.00 11.31 H new ATOM 1525 N LEU B 36 -14.615 4.127 23.900 1.00 10.00 N ATOM 1526 CA LEU B 36 -15.283 5.029 22.933 1.00 9.75 C ATOM 1527 C LEU B 36 -16.560 4.392 22.440 1.00 9.80 C ATOM 1528 O LEU B 36 -16.558 3.284 21.925 1.00 12.12 O ATOM 1529 CB LEU B 36 -14.293 5.235 21.764 1.00 9.32 C ATOM 1530 CG LEU B 36 -14.867 6.195 20.700 1.00 10.25 C ATOM 1531 CD1 LEU B 36 -14.942 7.629 21.163 1.00 10.90 C ATOM 1532 CD2 LEU B 36 -13.903 6.085 19.519 1.00 13.24 C ATOM 0 H LEU B 36 -14.038 3.598 23.544 1.00 10.00 H new ATOM 0 HA LEU B 36 -15.515 5.878 23.340 1.00 9.75 H new ATOM 0 HB2 LEU B 36 -13.457 5.590 22.105 1.00 9.32 H new ATOM 0 HB3 LEU B 36 -14.091 4.379 21.354 1.00 9.32 H new ATOM 0 HG LEU B 36 -15.781 5.949 20.486 1.00 10.25 H new ATOM 0 HD11 LEU B 36 -15.309 8.180 20.454 1.00 10.90 H new ATOM 0 HD12 LEU B 36 -15.513 7.687 21.945 1.00 10.90 H new ATOM 0 HD13 LEU B 36 -14.052 7.943 21.388 1.00 10.90 H new ATOM 0 HD21 LEU B 36 -14.201 6.667 18.802 1.00 13.24 H new ATOM 0 HD22 LEU B 36 -13.014 6.350 19.801 1.00 13.24 H new ATOM 0 HD23 LEU B 36 -13.881 5.168 19.203 1.00 13.24 H new ATOM 1533 N HIS B 37 -17.671 5.073 22.561 1.00 8.00 N ATOM 1534 CA HIS B 37 -18.870 4.539 21.989 1.00 7.99 C ATOM 1535 C HIS B 37 -19.016 4.823 20.516 1.00 8.90 C ATOM 1536 O HIS B 37 -19.491 3.993 19.751 1.00 10.18 O ATOM 1537 CB HIS B 37 -20.123 5.063 22.727 1.00 8.32 C ATOM 1538 CG HIS B 37 -21.383 4.677 22.052 1.00 8.69 C ATOM 1539 ND1 HIS B 37 -21.797 3.355 21.929 1.00 10.04 N ATOM 1540 CD2 HIS B 37 -22.287 5.411 21.374 1.00 9.95 C ATOM 1541 CE1 HIS B 37 -22.935 3.311 21.251 1.00 11.27 C ATOM 1542 NE2 HIS B 37 -23.239 4.551 20.882 1.00 11.72 N ATOM 0 H HIS B 37 -17.752 5.830 22.961 1.00 8.00 H new ATOM 0 HA HIS B 37 -18.795 3.578 22.096 1.00 7.99 H new ATOM 0 HB2 HIS B 37 -20.127 4.719 23.634 1.00 8.32 H new ATOM 0 HB3 HIS B 37 -20.077 6.030 22.790 1.00 8.32 H new ATOM 0 HD2 HIS B 37 -22.270 6.334 21.260 1.00 9.95 H new ATOM 0 HE1 HIS B 37 -23.433 2.547 21.066 1.00 11.27 H new ATOM 0 HE2 HIS B 37 -23.922 4.779 20.411 1.00 11.72 H new ATOM 1543 N LYS B 38 -18.651 6.020 20.083 1.00 8.18 N ATOM 1544 CA LYS B 38 -18.795 6.398 18.667 1.00 9.06 C ATOM 1545 C LYS B 38 -17.821 7.533 18.376 1.00 8.08 C ATOM 1546 O LYS B 38 -17.585 8.400 19.192 1.00 7.83 O ATOM 1547 CB LYS B 38 -20.242 6.880 18.443 1.00 9.61 C ATOM 1548 CG LYS B 38 -20.594 7.342 17.012 1.00 11.75 C ATOM 1549 CD LYS B 38 -22.132 7.700 16.931 1.00 13.89 C ATOM 1550 CE LYS B 38 -22.327 8.483 15.671 1.00 20.13 C ATOM 1551 NZ LYS B 38 -23.770 8.592 15.459 1.00 23.88 N ATOM 0 H LYS B 38 -18.317 6.634 20.585 1.00 8.18 H new ATOM 0 HA LYS B 38 -18.606 5.648 18.082 1.00 9.06 H new ATOM 0 HB2 LYS B 38 -20.844 6.160 18.688 1.00 9.61 H new ATOM 0 HB3 LYS B 38 -20.416 7.615 19.052 1.00 9.61 H new ATOM 0 HG2 LYS B 38 -20.060 8.115 16.772 1.00 11.75 H new ATOM 0 HG3 LYS B 38 -20.382 6.642 16.375 1.00 11.75 H new ATOM 0 HD2 LYS B 38 -22.673 6.895 16.923 1.00 13.89 H new ATOM 0 HD3 LYS B 38 -22.406 8.218 17.704 1.00 13.89 H new ATOM 0 HE2 LYS B 38 -21.923 9.362 15.746 1.00 20.13 H new ATOM 0 HE3 LYS B 38 -21.902 8.039 14.921 1.00 20.13 H new ATOM 0 HZ1 LYS B 38 -23.932 9.182 14.812 1.00 23.88 H new ATOM 0 HZ2 LYS B 38 -24.097 7.798 15.224 1.00 23.88 H new ATOM 0 HZ3 LYS B 38 -24.161 8.863 16.211 1.00 23.88 H new ATOM 1552 N TYR B 39 -17.293 7.534 17.142 1.00 8.51 N ATOM 1553 CA TYR B 39 -16.539 8.654 16.574 1.00 8.42 C ATOM 1554 C TYR B 39 -17.143 8.991 15.247 1.00 8.28 C ATOM 1555 O TYR B 39 -17.511 8.103 14.497 1.00 10.83 O ATOM 1556 CB TYR B 39 -15.056 8.278 16.424 1.00 9.02 C ATOM 1557 CG TYR B 39 -14.265 9.371 15.769 1.00 8.38 C ATOM 1558 CD1 TYR B 39 -14.033 10.572 16.388 1.00 9.96 C ATOM 1559 CD2 TYR B 39 -13.654 9.126 14.536 1.00 10.52 C ATOM 1560 CE1 TYR B 39 -13.265 11.577 15.775 1.00 10.69 C ATOM 1561 CE2 TYR B 39 -12.879 10.091 13.936 1.00 9.72 C ATOM 1562 CZ TYR B 39 -12.660 11.297 14.549 1.00 9.87 C ATOM 1563 OH TYR B 39 -11.906 12.299 13.912 1.00 11.18 O ATOM 0 H TYR B 39 -17.367 6.867 16.604 1.00 8.51 H new ATOM 0 HA TYR B 39 -16.585 9.425 17.161 1.00 8.42 H new ATOM 0 HB2 TYR B 39 -14.681 8.087 17.298 1.00 9.02 H new ATOM 0 HB3 TYR B 39 -14.980 7.466 15.899 1.00 9.02 H new ATOM 0 HD1 TYR B 39 -14.392 10.725 17.232 1.00 9.96 H new ATOM 0 HD2 TYR B 39 -13.772 8.304 14.118 1.00 10.52 H new ATOM 0 HE1 TYR B 39 -13.162 12.409 16.177 1.00 10.69 H new ATOM 0 HE2 TYR B 39 -12.499 9.923 13.104 1.00 9.72 H new ATOM 0 HH TYR B 39 -11.612 12.837 14.487 1.00 11.18 H new ATOM 1564 N AGLU B 40 -17.255 10.285 14.968 0.50 7.58 N ATOM 1565 N BGLU B 40 -17.200 10.276 14.951 0.50 6.38 N ATOM 1566 CA AGLU B 40 -17.656 10.807 13.652 0.50 8.77 C ATOM 1567 CA BGLU B 40 -17.609 10.731 13.631 0.50 6.76 C ATOM 1568 C AGLU B 40 -16.599 11.810 13.228 0.50 8.04 C ATOM 1569 C BGLU B 40 -16.697 11.882 13.212 0.50 6.54 C ATOM 1570 O AGLU B 40 -16.049 12.530 14.043 0.50 8.75 O ATOM 1571 O BGLU B 40 -16.346 12.786 14.010 0.50 5.72 O ATOM 1572 CB AGLU B 40 -19.021 11.530 13.734 0.50 8.94 C ATOM 1573 CB BGLU B 40 -19.074 11.176 13.672 0.50 6.55 C ATOM 1574 CG AGLU B 40 -20.169 10.575 13.711 0.50 12.01 C ATOM 1575 CG BGLU B 40 -19.626 11.579 12.331 0.50 5.85 C ATOM 1576 CD AGLU B 40 -21.554 11.208 13.637 0.50 14.28 C ATOM 1577 CD BGLU B 40 -21.101 11.818 12.360 0.50 5.44 C ATOM 1578 OE1AGLU B 40 -22.510 10.384 13.675 0.50 16.36 O ATOM 1579 OE1BGLU B 40 -21.568 12.549 13.252 0.50 8.53 O ATOM 1580 OE2AGLU B 40 -21.724 12.452 13.541 0.50 15.19 O ATOM 1581 OE2BGLU B 40 -21.747 11.354 11.407 0.50 10.81 O ATOM 0 H AGLU B 40 -17.098 10.902 15.546 0.50 6.38 H new ATOM 0 H BGLU B 40 -17.005 10.907 15.502 0.50 6.38 H new ATOM 0 HA AGLU B 40 -17.738 10.075 13.020 0.50 6.76 H new ATOM 0 HA BGLU B 40 -17.532 10.013 12.983 0.50 6.76 H new ATOM 0 HB2AGLU B 40 -19.057 12.057 14.548 0.50 6.55 H new ATOM 0 HB2BGLU B 40 -19.613 10.453 14.030 0.50 6.55 H new ATOM 0 HB3AGLU B 40 -19.102 12.149 12.991 0.50 6.55 H new ATOM 0 HB3BGLU B 40 -19.159 11.923 14.285 0.50 6.55 H new ATOM 0 HG2AGLU B 40 -20.061 9.983 12.950 0.50 5.85 H new ATOM 0 HG2BGLU B 40 -19.178 12.385 12.030 0.50 5.85 H new ATOM 0 HG3AGLU B 40 -20.126 10.023 14.508 0.50 5.85 H new ATOM 0 HG3BGLU B 40 -19.428 10.885 11.683 0.50 5.85 H new ATOM 1582 N VAL B 41 -16.323 11.865 11.929 1.00 7.55 N ATOM 1583 CA VAL B 41 -15.582 12.941 11.315 1.00 7.97 C ATOM 1584 C VAL B 41 -16.203 13.315 9.966 1.00 6.84 C ATOM 1585 O VAL B 41 -16.542 12.411 9.186 1.00 8.90 O ATOM 1586 CB VAL B 41 -14.018 12.612 11.234 1.00 8.26 C ATOM 1587 CG1 VAL B 41 -13.760 11.384 10.328 1.00 10.66 C ATOM 1588 CG2 VAL B 41 -13.242 13.847 10.775 1.00 9.78 C ATOM 0 H AVAL B 41 -16.571 11.258 11.372 0.50 7.55 H new ATOM 0 H BVAL B 41 -16.500 11.215 11.394 0.50 7.55 H new ATOM 0 HA VAL B 41 -15.647 13.728 11.879 1.00 7.97 H new ATOM 0 HB VAL B 41 -13.697 12.379 12.119 1.00 8.26 H new ATOM 0 HG11 VAL B 41 -12.808 11.202 10.293 1.00 10.66 H new ATOM 0 HG12 VAL B 41 -14.223 10.612 10.689 1.00 10.66 H new ATOM 0 HG13 VAL B 41 -14.087 11.567 9.433 1.00 10.66 H new ATOM 0 HG21 VAL B 41 -12.296 13.637 10.729 1.00 9.78 H new ATOM 0 HG22 VAL B 41 -13.555 14.119 9.898 1.00 9.78 H new ATOM 0 HG23 VAL B 41 -13.382 14.570 11.406 1.00 9.78 H new ATOM 1589 N ARG B 42 -16.309 14.611 9.754 1.00 7.61 N ATOM 1590 CA ARG B 42 -16.913 15.149 8.531 1.00 7.72 C ATOM 1591 C ARG B 42 -16.072 16.297 8.039 1.00 7.76 C ATOM 1592 O ARG B 42 -15.493 17.035 8.840 1.00 8.63 O ATOM 1593 CB ARG B 42 -18.329 15.680 8.803 1.00 9.65 C ATOM 1594 CG ARG B 42 -19.332 14.586 9.137 1.00 8.69 C ATOM 1595 CD ARG B 42 -20.630 15.252 9.573 1.00 10.81 C ATOM 1596 NE ARG B 42 -20.547 15.846 10.886 1.00 10.05 N ATOM 1597 CZ ARG B 42 -21.515 16.570 11.444 1.00 9.86 C ATOM 1598 NH1 ARG B 42 -22.449 17.173 10.696 1.00 10.97 N ATOM 1599 NH2 ARG B 42 -21.498 16.845 12.746 1.00 10.23 N ATOM 0 H ARG B 42 -16.037 15.210 10.307 1.00 7.61 H new ATOM 0 HA ARG B 42 -16.960 14.437 7.874 1.00 7.72 H new ATOM 0 HB2 ARG B 42 -18.294 16.313 9.538 1.00 9.65 H new ATOM 0 HB3 ARG B 42 -18.640 16.167 8.024 1.00 9.65 H new ATOM 0 HG2 ARG B 42 -19.485 14.019 8.365 1.00 8.69 H new ATOM 0 HG3 ARG B 42 -18.989 14.016 9.844 1.00 8.69 H new ATOM 0 HD2 ARG B 42 -20.869 15.937 8.929 1.00 10.81 H new ATOM 0 HD3 ARG B 42 -21.343 14.595 9.566 1.00 10.81 H new ATOM 0 HE ARG B 42 -19.825 15.724 11.337 1.00 10.05 H new ATOM 0 HH11 ARG B 42 -22.430 17.096 9.840 1.00 10.97 H new ATOM 0 HH12 ARG B 42 -23.068 17.637 11.072 1.00 10.97 H new ATOM 0 HH21 ARG B 42 -20.856 16.554 13.239 1.00 10.23 H new ATOM 0 HH22 ARG B 42 -22.129 17.314 13.095 1.00 10.23 H new ATOM 1600 N ALEU B 43 -15.983 16.490 6.710 0.50 8.45 N ATOM 1601 N BLEU B 43 -16.002 16.475 6.716 0.50 8.83 N ATOM 1602 CA ALEU B 43 -15.365 17.728 6.230 0.50 8.74 C ATOM 1603 CA BLEU B 43 -15.311 17.616 6.137 0.50 9.60 C ATOM 1604 C ALEU B 43 -16.303 18.908 6.330 0.50 7.46 C ATOM 1605 C BLEU B 43 -16.236 18.841 6.157 0.50 7.90 C ATOM 1606 O ALEU B 43 -17.533 18.790 6.387 0.50 7.52 O ATOM 1607 O BLEU B 43 -17.447 18.642 6.015 0.50 8.89 O ATOM 1608 CB ALEU B 43 -14.838 17.646 4.772 0.50 9.02 C ATOM 1609 CB BLEU B 43 -14.977 17.246 4.680 0.50 9.65 C ATOM 1610 CG ALEU B 43 -13.702 16.675 4.470 0.50 9.95 C ATOM 1611 CG BLEU B 43 -13.749 17.902 4.096 0.50 12.69 C ATOM 1612 CD1ALEU B 43 -13.294 16.749 2.967 0.50 10.86 C ATOM 1613 CD1BLEU B 43 -12.527 17.369 4.809 0.50 9.93 C ATOM 1614 CD2ALEU B 43 -12.464 16.862 5.363 0.50 13.03 C ATOM 1615 CD2BLEU B 43 -13.674 17.554 2.631 0.50 14.53 C ATOM 0 H ALEU B 43 -16.259 15.946 6.104 0.50 8.83 H new ATOM 0 H BLEU B 43 -16.352 15.941 6.140 0.50 8.83 H new ATOM 0 HA ALEU B 43 -14.605 17.854 6.819 0.50 9.60 H new ATOM 0 HA BLEU B 43 -14.507 17.828 6.637 0.50 9.60 H new ATOM 0 HB2ALEU B 43 -15.586 17.414 4.199 0.50 9.65 H new ATOM 0 HB2BLEU B 43 -14.864 16.284 4.627 0.50 9.65 H new ATOM 0 HB3ALEU B 43 -14.546 18.534 4.512 0.50 9.65 H new ATOM 0 HB3BLEU B 43 -15.739 17.474 4.124 0.50 9.65 H new ATOM 0 HG ALEU B 43 -14.054 15.794 4.673 0.50 12.69 H new ATOM 0 HG BLEU B 43 -13.791 18.865 4.203 0.50 12.69 H new ATOM 0 HD11ALEU B 43 -12.571 16.125 2.797 0.50 9.93 H new ATOM 0 HD11BLEU B 43 -11.731 17.784 4.442 0.50 9.93 H new ATOM 0 HD12ALEU B 43 -14.056 16.520 2.413 0.50 9.93 H new ATOM 0 HD12BLEU B 43 -12.590 17.573 5.755 0.50 9.93 H new ATOM 0 HD13ALEU B 43 -13.000 17.649 2.755 0.50 9.93 H new ATOM 0 HD13BLEU B 43 -12.475 16.408 4.688 0.50 9.93 H new ATOM 0 HD21ALEU B 43 -11.786 16.214 5.116 0.50 14.53 H new ATOM 0 HD21BLEU B 43 -12.889 17.968 2.240 0.50 14.53 H new ATOM 0 HD22ALEU B 43 -12.112 17.758 5.246 0.50 14.53 H new ATOM 0 HD22BLEU B 43 -13.615 16.591 2.530 0.50 14.53 H new ATOM 0 HD23ALEU B 43 -12.712 16.732 6.292 0.50 14.53 H new ATOM 0 HD23BLEU B 43 -14.469 17.878 2.180 0.50 14.53 H new ATOM 1616 N VAL B 44 -15.734 20.082 6.328 1.00 8.82 N ATOM 1617 CA VAL B 44 -16.481 21.262 6.127 1.00 9.26 C ATOM 1618 C VAL B 44 -16.476 21.536 4.633 1.00 10.68 C ATOM 1619 O VAL B 44 -15.413 21.764 4.038 1.00 13.24 O ATOM 1620 CB VAL B 44 -15.895 22.470 6.915 1.00 9.15 C ATOM 1621 CG1 VAL B 44 -16.608 23.732 6.531 1.00 10.09 C ATOM 1622 CG2 VAL B 44 -15.925 22.207 8.428 1.00 9.89 C ATOM 0 H AVAL B 44 -14.892 20.209 6.446 0.50 8.82 H new ATOM 0 H BVAL B 44 -14.922 20.228 6.572 0.50 8.82 H new ATOM 0 HA VAL B 44 -17.384 21.143 6.460 1.00 9.26 H new ATOM 0 HB VAL B 44 -14.962 22.583 6.676 1.00 9.15 H new ATOM 0 HG11 VAL B 44 -16.236 24.478 7.027 1.00 10.09 H new ATOM 0 HG12 VAL B 44 -16.498 23.889 5.580 1.00 10.09 H new ATOM 0 HG13 VAL B 44 -17.552 23.646 6.737 1.00 10.09 H new ATOM 0 HG21 VAL B 44 -15.556 22.972 8.897 1.00 9.89 H new ATOM 0 HG22 VAL B 44 -16.841 22.064 8.714 1.00 9.89 H new ATOM 0 HG23 VAL B 44 -15.397 21.419 8.630 1.00 9.89 H new ATOM 1623 N ALA B 45 -17.638 21.428 3.996 1.00 9.83 N ATOM 1624 CA ALA B 45 -17.789 21.614 2.552 1.00 12.54 C ATOM 1625 C ALA B 45 -18.267 22.955 2.164 1.00 13.33 C ATOM 1626 O ALA B 45 -18.029 23.392 1.007 1.00 17.31 O ATOM 1627 CB ALA B 45 -18.716 20.571 1.979 1.00 15.08 C ATOM 0 H ALA B 45 -18.376 21.241 4.397 1.00 9.83 H new ATOM 0 HA ALA B 45 -16.896 21.518 2.185 1.00 12.54 H new ATOM 0 HB1 ALA B 45 -18.806 20.708 1.023 1.00 15.08 H new ATOM 0 HB2 ALA B 45 -18.352 19.687 2.146 1.00 15.08 H new ATOM 0 HB3 ALA B 45 -19.587 20.646 2.399 1.00 15.08 H new ATOM 1628 N GLY B 46 -18.943 23.667 3.039 1.00 12.51 N ATOM 1629 CA GLY B 46 -19.488 24.957 2.705 1.00 13.69 C ATOM 1630 C GLY B 46 -19.482 25.859 3.884 1.00 12.05 C ATOM 1631 O GLY B 46 -19.654 25.389 5.048 1.00 11.51 O ATOM 0 H GLY B 46 -19.099 23.414 3.846 1.00 12.51 H new ATOM 0 HA2 GLY B 46 -18.971 25.354 1.987 1.00 13.69 H new ATOM 0 HA3 GLY B 46 -20.395 24.854 2.377 1.00 13.69 H new ATOM 1632 N ASN B 47 -19.343 27.152 3.613 1.00 13.80 N ATOM 1633 CA ASN B 47 -19.294 28.156 4.660 1.00 13.87 C ATOM 1634 C ASN B 47 -20.212 29.316 4.272 1.00 16.11 C ATOM 1635 O ASN B 47 -19.727 30.413 3.975 1.00 17.65 O ATOM 1636 CB ASN B 47 -17.859 28.677 4.802 1.00 15.07 C ATOM 1637 CG ASN B 47 -16.955 27.692 5.485 1.00 13.89 C ATOM 1638 OD1 ASN B 47 -16.829 27.682 6.721 1.00 13.19 O ATOM 1639 ND2 ASN B 47 -16.238 26.879 4.694 1.00 14.04 N ATOM 0 H ASN B 47 -19.275 27.469 2.816 1.00 13.80 H new ATOM 0 HA ASN B 47 -19.582 27.768 5.501 1.00 13.87 H new ATOM 0 HB2 ASN B 47 -17.504 28.882 3.923 1.00 15.07 H new ATOM 0 HB3 ASN B 47 -17.867 29.506 5.305 1.00 15.07 H new ATOM 0 HD21 ASN B 47 -15.672 26.331 5.040 1.00 14.04 H new ATOM 0 HD22 ASN B 47 -16.344 26.906 3.841 1.00 14.04 H new ATOM 1640 N PRO B 48 -21.519 29.087 4.329 1.00 16.83 N ATOM 1641 CA PRO B 48 -22.419 30.191 3.932 1.00 18.38 C ATOM 1642 C PRO B 48 -22.327 31.385 4.918 1.00 20.51 C ATOM 1643 O PRO B 48 -22.243 31.224 6.156 1.00 20.46 O ATOM 1644 CB PRO B 48 -23.796 29.547 3.922 1.00 20.29 C ATOM 1645 CG PRO B 48 -23.693 28.216 4.695 1.00 18.27 C ATOM 1646 CD PRO B 48 -22.220 27.877 4.790 1.00 15.60 C ATOM 0 HA PRO B 48 -22.191 30.575 3.071 1.00 18.38 H new ATOM 0 HB2 PRO B 48 -24.449 30.132 4.337 1.00 20.29 H new ATOM 0 HB3 PRO B 48 -24.093 29.391 3.012 1.00 20.29 H new ATOM 0 HG2 PRO B 48 -24.084 28.300 5.579 1.00 18.27 H new ATOM 0 HG3 PRO B 48 -24.179 27.513 4.236 1.00 18.27 H new ATOM 0 HD2 PRO B 48 -21.970 27.651 5.700 1.00 15.60 H new ATOM 0 HD3 PRO B 48 -22.000 27.111 4.237 1.00 15.60 H new ATOM 1647 N THR B 49 -22.308 32.604 4.377 1.00 22.74 N ATOM 1648 CA THR B 49 -22.147 33.808 5.231 1.00 26.12 C ATOM 1649 C THR B 49 -23.437 34.637 5.275 1.00 27.65 C ATOM 1650 O THR B 49 -23.503 35.646 5.978 1.00 27.96 O ATOM 1651 CB THR B 49 -20.921 34.718 4.820 1.00 26.85 C ATOM 1652 OG1 THR B 49 -21.165 35.349 3.549 1.00 30.33 O ATOM 1653 CG2 THR B 49 -19.584 33.924 4.733 1.00 26.59 C ATOM 0 H THR B 49 -22.384 32.764 3.536 1.00 22.74 H new ATOM 0 HA THR B 49 -21.955 33.472 6.120 1.00 26.12 H new ATOM 0 HB THR B 49 -20.832 35.385 5.519 1.00 26.85 H new ATOM 0 HG1 THR B 49 -20.507 35.830 3.344 1.00 30.33 H new ATOM 0 HG21 THR B 49 -18.866 34.525 4.479 1.00 26.59 H new ATOM 0 HG22 THR B 49 -19.384 33.530 5.597 1.00 26.59 H new ATOM 0 HG23 THR B 49 -19.667 33.221 4.069 1.00 26.59 H new ATOM 1654 N ASP B 50 -24.459 34.182 4.545 1.00 29.09 N ATOM 1655 CA ASP B 50 -25.742 34.877 4.431 1.00 31.26 C ATOM 1656 C ASP B 50 -26.678 34.469 5.588 1.00 30.47 C ATOM 1657 O ASP B 50 -27.827 34.020 5.393 1.00 31.44 O ATOM 1658 CB ASP B 50 -26.367 34.573 3.051 1.00 32.33 C ATOM 1659 CG ASP B 50 -26.810 33.095 2.892 1.00 36.70 C ATOM 1660 OD1 ASP B 50 -26.215 32.182 3.513 1.00 40.22 O ATOM 1661 OD2 ASP B 50 -27.775 32.841 2.128 1.00 42.90 O ATOM 0 H ASP B 50 -24.424 33.449 4.096 1.00 29.09 H new ATOM 0 HA ASP B 50 -25.604 35.835 4.498 1.00 31.26 H new ATOM 0 HB2 ASP B 50 -27.134 35.151 2.916 1.00 32.33 H new ATOM 0 HB3 ASP B 50 -25.724 34.788 2.357 1.00 32.33 H new ATOM 1662 N THR B 51 -26.159 34.606 6.807 1.00 29.76 N ATOM 1663 CA THR B 51 -26.928 34.321 8.009 1.00 27.83 C ATOM 1664 C THR B 51 -27.930 35.449 8.235 1.00 28.73 C ATOM 1665 O THR B 51 -27.682 36.617 7.877 1.00 29.17 O ATOM 1666 CB THR B 51 -26.000 34.180 9.258 1.00 26.67 C ATOM 1667 OG1 THR B 51 -25.118 35.306 9.318 1.00 24.89 O ATOM 1668 CG2 THR B 51 -25.171 32.888 9.197 1.00 25.15 C ATOM 0 H THR B 51 -25.353 34.866 6.957 1.00 29.76 H new ATOM 0 HA THR B 51 -27.392 33.478 7.888 1.00 27.83 H new ATOM 0 HB THR B 51 -26.558 34.144 10.050 1.00 26.67 H new ATOM 0 HG1 THR B 51 -25.487 35.929 9.745 1.00 24.89 H new ATOM 0 HG21 THR B 51 -24.606 32.828 9.983 1.00 25.15 H new ATOM 0 HG22 THR B 51 -25.766 32.123 9.168 1.00 25.15 H new ATOM 0 HG23 THR B 51 -24.617 32.896 8.401 1.00 25.15 H new ATOM 1669 N AHIS B 52 -29.044 35.073 8.831 0.50 28.06 N ATOM 1670 N BHIS B 52 -29.064 35.124 8.842 0.50 28.20 N ATOM 1671 CA AHIS B 52 -30.146 35.956 9.188 0.50 27.73 C ATOM 1672 CA BHIS B 52 -30.068 36.160 9.132 0.50 27.83 C ATOM 1673 C AHIS B 52 -29.787 36.792 10.425 0.50 27.11 C ATOM 1674 C BHIS B 52 -29.982 36.672 10.585 0.50 27.00 C ATOM 1675 O AHIS B 52 -30.257 37.918 10.584 0.50 27.78 O ATOM 1676 O BHIS B 52 -30.845 37.417 11.058 0.50 27.19 O ATOM 1677 CB AHIS B 52 -31.282 35.011 9.504 0.50 27.72 C ATOM 1678 CB BHIS B 52 -31.471 35.657 8.822 0.50 28.34 C ATOM 1679 CG AHIS B 52 -30.774 33.649 9.841 0.50 28.97 C ATOM 1680 CG BHIS B 52 -32.200 35.174 10.027 0.50 29.53 C ATOM 1681 ND1AHIS B 52 -30.748 33.152 11.126 0.50 29.53 N ATOM 1682 ND1BHIS B 52 -31.685 34.210 10.866 0.50 29.51 N ATOM 1683 CD2AHIS B 52 -30.150 32.728 9.068 0.50 30.68 C ATOM 1684 CD2BHIS B 52 -33.390 35.540 10.554 0.50 30.12 C ATOM 1685 CE1AHIS B 52 -30.193 31.958 11.117 0.50 25.93 C ATOM 1686 CE1BHIS B 52 -32.536 33.992 11.850 0.50 29.40 C ATOM 1687 NE2AHIS B 52 -29.813 31.680 9.886 0.50 29.48 N ATOM 1688 NE2BHIS B 52 -33.581 34.780 11.680 0.50 30.52 N ATOM 0 H AHIS B 52 -29.190 34.255 9.052 0.50 28.20 H new ATOM 0 H BHIS B 52 -29.276 34.329 9.093 0.50 28.20 H new ATOM 0 HA AHIS B 52 -30.365 36.585 8.483 0.50 27.83 H new ATOM 0 HA BHIS B 52 -29.871 36.913 8.553 0.50 27.83 H new ATOM 0 HB2AHIS B 52 -31.798 35.359 10.248 0.50 28.34 H new ATOM 0 HB2BHIS B 52 -31.980 36.371 8.408 0.50 28.34 H new ATOM 0 HB3AHIS B 52 -31.881 34.956 8.743 0.50 28.34 H new ATOM 0 HB3BHIS B 52 -31.414 34.937 8.175 0.50 28.34 H new ATOM 0 HD2AHIS B 52 -29.982 32.794 8.156 0.50 30.12 H new ATOM 0 HD2BHIS B 52 -33.969 36.185 10.217 0.50 30.12 H new ATOM 0 HE1AHIS B 52 -30.087 31.403 11.856 0.50 29.40 H new ATOM 0 HE1BHIS B 52 -32.419 33.386 12.546 0.50 29.40 H new ATOM 0 HE2AHIS B 52 -29.418 30.958 9.636 0.50 30.52 H new ATOM 0 HE2BHIS B 52 -34.271 34.812 12.193 0.50 30.52 H new ATOM 1689 N VAL B 53 -28.949 36.235 11.299 1.00 25.79 N ATOM 1690 CA VAL B 53 -28.467 36.959 12.467 1.00 24.48 C ATOM 1691 C VAL B 53 -26.993 37.203 12.121 1.00 22.39 C ATOM 1692 O VAL B 53 -26.479 36.630 11.134 1.00 22.42 O ATOM 1693 CB VAL B 53 -28.634 36.185 13.814 1.00 23.68 C ATOM 1694 CG1 VAL B 53 -30.080 35.812 14.100 1.00 24.78 C ATOM 1695 CG2 VAL B 53 -27.783 34.935 13.841 1.00 23.48 C ATOM 0 H AVAL B 53 -28.648 35.433 11.230 0.50 25.79 H new ATOM 0 H BVAL B 53 -28.512 35.516 11.121 0.50 25.79 H new ATOM 0 HA VAL B 53 -28.976 37.769 12.628 1.00 24.48 H new ATOM 0 HB VAL B 53 -28.336 36.794 14.508 1.00 23.68 H new ATOM 0 HG11 VAL B 53 -30.131 35.335 14.943 1.00 24.78 H new ATOM 0 HG12 VAL B 53 -30.618 36.617 14.151 1.00 24.78 H new ATOM 0 HG13 VAL B 53 -30.415 35.245 13.388 1.00 24.78 H new ATOM 0 HG21 VAL B 53 -27.907 34.477 14.687 1.00 23.48 H new ATOM 0 HG22 VAL B 53 -28.046 34.349 13.115 1.00 23.48 H new ATOM 0 HG23 VAL B 53 -26.849 35.177 13.739 1.00 23.48 H new ATOM 1696 N PRO B 54 -26.294 38.034 12.896 1.00 21.14 N ATOM 1697 CA PRO B 54 -24.911 38.385 12.561 1.00 20.35 C ATOM 1698 C PRO B 54 -24.015 37.170 12.385 1.00 19.07 C ATOM 1699 O PRO B 54 -24.046 36.236 13.183 1.00 17.18 O ATOM 1700 CB PRO B 54 -24.470 39.243 13.738 1.00 21.15 C ATOM 1701 CG PRO B 54 -25.798 39.888 14.132 1.00 21.73 C ATOM 1702 CD PRO B 54 -26.771 38.790 14.063 1.00 21.64 C ATOM 0 HA PRO B 54 -24.849 38.842 11.708 1.00 20.35 H new ATOM 0 HB2 PRO B 54 -24.090 38.714 14.457 1.00 21.15 H new ATOM 0 HB3 PRO B 54 -23.802 39.900 13.485 1.00 21.15 H new ATOM 0 HG2 PRO B 54 -25.756 40.268 15.024 1.00 21.73 H new ATOM 0 HG3 PRO B 54 -26.034 40.609 13.527 1.00 21.73 H new ATOM 0 HD2 PRO B 54 -26.769 38.252 14.870 1.00 21.64 H new ATOM 0 HD3 PRO B 54 -27.677 39.114 13.940 1.00 21.64 H new ATOM 1703 N TYR B 55 -23.294 37.146 11.276 1.00 18.51 N ATOM 1704 CA TYR B 55 -22.325 36.078 10.992 1.00 16.45 C ATOM 1705 C TYR B 55 -21.144 36.071 11.950 1.00 18.04 C ATOM 1706 O TYR B 55 -20.574 37.108 12.273 1.00 20.02 O ATOM 1707 CB TYR B 55 -21.823 36.275 9.575 1.00 18.28 C ATOM 1708 CG TYR B 55 -20.752 35.313 9.190 1.00 19.84 C ATOM 1709 CD1 TYR B 55 -21.018 33.953 9.089 1.00 19.86 C ATOM 1710 CD2 TYR B 55 -19.477 35.763 8.880 1.00 22.92 C ATOM 1711 CE1 TYR B 55 -20.016 33.075 8.706 1.00 19.93 C ATOM 1712 CE2 TYR B 55 -18.470 34.904 8.498 1.00 21.85 C ATOM 1713 CZ TYR B 55 -18.747 33.551 8.398 1.00 20.57 C ATOM 1714 OH TYR B 55 -17.747 32.710 7.997 1.00 21.64 O ATOM 0 H TYR B 55 -23.347 37.745 10.661 1.00 18.51 H new ATOM 0 HA TYR B 55 -22.774 35.225 11.104 1.00 16.45 H new ATOM 0 HB2 TYR B 55 -22.567 36.184 8.959 1.00 18.28 H new ATOM 0 HB3 TYR B 55 -21.486 37.180 9.481 1.00 18.28 H new ATOM 0 HD1 TYR B 55 -21.870 33.631 9.279 1.00 19.86 H new ATOM 0 HD2 TYR B 55 -19.296 36.674 8.932 1.00 22.92 H new ATOM 0 HE1 TYR B 55 -20.194 32.164 8.655 1.00 19.93 H new ATOM 0 HE2 TYR B 55 -17.618 35.227 8.310 1.00 21.85 H new ATOM 0 HH TYR B 55 -17.455 32.958 7.249 1.00 21.64 H new ATOM 1715 N LEU B 56 -20.774 34.886 12.429 1.00 15.26 N ATOM 1716 CA LEU B 56 -19.644 34.740 13.321 1.00 16.38 C ATOM 1717 C LEU B 56 -18.466 34.171 12.504 1.00 16.57 C ATOM 1718 O LEU B 56 -18.557 33.034 11.995 1.00 17.27 O ATOM 1719 CB LEU B 56 -20.003 33.777 14.446 1.00 16.09 C ATOM 1720 CG LEU B 56 -18.860 33.490 15.422 1.00 17.15 C ATOM 1721 CD1 LEU B 56 -18.594 34.726 16.288 1.00 20.89 C ATOM 1722 CD2 LEU B 56 -19.165 32.291 16.300 1.00 21.22 C ATOM 0 H LEU B 56 -21.175 34.148 12.242 1.00 15.26 H new ATOM 0 HA LEU B 56 -19.404 35.596 13.709 1.00 16.38 H new ATOM 0 HB2 LEU B 56 -20.753 34.141 14.942 1.00 16.09 H new ATOM 0 HB3 LEU B 56 -20.300 32.939 14.057 1.00 16.09 H new ATOM 0 HG LEU B 56 -18.067 33.281 14.904 1.00 17.15 H new ATOM 0 HD11 LEU B 56 -17.869 34.539 16.905 1.00 20.89 H new ATOM 0 HD12 LEU B 56 -18.350 35.473 15.720 1.00 20.89 H new ATOM 0 HD13 LEU B 56 -19.394 34.949 16.789 1.00 20.89 H new ATOM 0 HD21 LEU B 56 -18.423 32.136 16.905 1.00 21.22 H new ATOM 0 HD22 LEU B 56 -19.970 32.462 16.813 1.00 21.22 H new ATOM 0 HD23 LEU B 56 -19.297 31.507 15.744 1.00 21.22 H new ATOM 1723 N ASP B 57 -17.364 34.917 12.416 1.00 19.21 N ATOM 1724 CA ASP B 57 -16.191 34.443 11.682 1.00 20.24 C ATOM 1725 C ASP B 57 -15.249 33.795 12.682 1.00 20.01 C ATOM 1726 O ASP B 57 -14.788 34.436 13.637 1.00 21.91 O ATOM 1727 CB ASP B 57 -15.530 35.619 10.936 1.00 22.38 C ATOM 1728 CG ASP B 57 -14.519 35.176 9.887 1.00 26.55 C ATOM 1729 OD1 ASP B 57 -14.183 33.960 9.776 1.00 26.99 O ATOM 1730 OD2 ASP B 57 -14.040 36.082 9.150 1.00 30.72 O ATOM 0 H ASP B 57 -17.276 35.695 12.772 1.00 19.21 H new ATOM 0 HA ASP B 57 -16.436 33.787 11.011 1.00 20.24 H new ATOM 0 HB2 ASP B 57 -16.219 36.150 10.508 1.00 22.38 H new ATOM 0 HB3 ASP B 57 -15.088 36.194 11.580 1.00 22.38 H new ATOM 1731 N VAL B 58 -14.990 32.501 12.520 1.00 18.54 N ATOM 1732 CA VAL B 58 -14.053 31.797 13.369 1.00 18.42 C ATOM 1733 C VAL B 58 -12.829 31.343 12.555 1.00 17.94 C ATOM 1734 O VAL B 58 -12.092 30.438 12.976 1.00 19.76 O ATOM 1735 CB VAL B 58 -14.705 30.544 14.069 1.00 19.16 C ATOM 1736 CG1 VAL B 58 -15.814 30.962 15.087 1.00 17.39 C ATOM 1737 CG2 VAL B 58 -15.245 29.526 13.069 1.00 17.78 C ATOM 0 H VAL B 58 -15.355 32.012 11.914 1.00 18.54 H new ATOM 0 HA VAL B 58 -13.779 32.419 14.061 1.00 18.42 H new ATOM 0 HB VAL B 58 -13.991 30.110 14.561 1.00 19.16 H new ATOM 0 HG11 VAL B 58 -16.192 30.169 15.498 1.00 17.39 H new ATOM 0 HG12 VAL B 58 -15.427 31.528 15.773 1.00 17.39 H new ATOM 0 HG13 VAL B 58 -16.512 31.450 14.623 1.00 17.39 H new ATOM 0 HG21 VAL B 58 -15.634 28.777 13.547 1.00 17.78 H new ATOM 0 HG22 VAL B 58 -15.924 29.944 12.516 1.00 17.78 H new ATOM 0 HG23 VAL B 58 -14.521 29.209 12.507 1.00 17.78 H new ATOM 1738 N GLY B 59 -12.665 31.932 11.384 1.00 16.13 N ATOM 1739 CA GLY B 59 -11.610 31.504 10.458 1.00 16.14 C ATOM 1740 C GLY B 59 -11.946 30.219 9.717 1.00 15.68 C ATOM 1741 O GLY B 59 -13.146 29.864 9.640 1.00 16.63 O ATOM 0 H GLY B 59 -13.150 32.582 11.099 1.00 16.13 H new ATOM 0 HA2 GLY B 59 -11.449 32.210 9.812 1.00 16.14 H new ATOM 0 HA3 GLY B 59 -10.785 31.379 10.953 1.00 16.14 H new ATOM 1742 N ARG B 60 -10.945 29.541 9.173 1.00 13.87 N ATOM 1743 CA ARG B 60 -11.183 28.387 8.321 1.00 13.24 C ATOM 1744 C ARG B 60 -11.070 27.134 9.171 1.00 13.34 C ATOM 1745 O ARG B 60 -10.024 26.843 9.776 1.00 14.81 O ATOM 1746 CB ARG B 60 -10.136 28.330 7.188 1.00 13.56 C ATOM 1747 CG ARG B 60 -10.493 27.359 6.085 1.00 16.80 C ATOM 1748 CD ARG B 60 -9.361 27.055 5.078 1.00 17.59 C ATOM 1749 NE ARG B 60 -8.482 26.052 5.680 1.00 18.59 N ATOM 1750 CZ ARG B 60 -7.253 26.255 6.141 1.00 16.65 C ATOM 1751 NH1 ARG B 60 -6.600 25.289 6.681 1.00 13.34 N ATOM 1752 NH2 ARG B 60 -6.629 27.443 5.969 1.00 20.76 N ATOM 0 H ARG B 60 -10.115 29.735 9.286 1.00 13.87 H new ATOM 0 HA ARG B 60 -12.066 28.453 7.924 1.00 13.24 H new ATOM 0 HB2 ARG B 60 -10.033 29.216 6.808 1.00 13.56 H new ATOM 0 HB3 ARG B 60 -9.277 28.080 7.563 1.00 13.56 H new ATOM 0 HG2 ARG B 60 -10.778 26.525 6.489 1.00 16.80 H new ATOM 0 HG3 ARG B 60 -11.253 27.713 5.597 1.00 16.80 H new ATOM 0 HD2 ARG B 60 -9.729 26.727 4.243 1.00 17.59 H new ATOM 0 HD3 ARG B 60 -8.864 27.862 4.872 1.00 17.59 H new ATOM 0 HE ARG B 60 -8.792 25.252 5.741 1.00 18.59 H new ATOM 0 HH11 ARG B 60 -6.959 24.510 6.744 1.00 13.34 H new ATOM 0 HH12 ARG B 60 -5.804 25.422 6.979 1.00 13.34 H new ATOM 0 HH21 ARG B 60 -7.028 28.082 5.555 1.00 20.76 H new ATOM 0 HH22 ARG B 60 -5.833 27.559 6.273 1.00 20.76 H new ATOM 1753 N ILE B 61 -12.190 26.401 9.223 1.00 10.62 N ATOM 1754 CA ILE B 61 -12.222 25.076 9.851 1.00 10.08 C ATOM 1755 C ILE B 61 -12.354 24.041 8.736 1.00 9.22 C ATOM 1756 O ILE B 61 -13.162 24.208 7.814 1.00 10.46 O ATOM 1757 CB ILE B 61 -13.438 24.999 10.780 1.00 9.80 C ATOM 1758 CG1 ILE B 61 -13.490 26.171 11.791 1.00 11.13 C ATOM 1759 CG2 ILE B 61 -13.522 23.621 11.431 1.00 10.93 C ATOM 1760 CD1 ILE B 61 -12.255 26.318 12.649 1.00 12.27 C ATOM 0 H ILE B 61 -12.944 26.656 8.898 1.00 10.62 H new ATOM 0 HA ILE B 61 -11.418 24.912 10.368 1.00 10.08 H new ATOM 0 HB ILE B 61 -14.238 25.108 10.243 1.00 9.80 H new ATOM 0 HG12 ILE B 61 -13.630 26.997 11.303 1.00 11.13 H new ATOM 0 HG13 ILE B 61 -14.259 26.049 12.370 1.00 11.13 H new ATOM 0 HG21 ILE B 61 -14.295 23.586 12.016 1.00 10.93 H new ATOM 0 HG22 ILE B 61 -13.606 22.942 10.743 1.00 10.93 H new ATOM 0 HG23 ILE B 61 -12.718 23.458 11.949 1.00 10.93 H new ATOM 0 HD11 ILE B 61 -12.367 27.070 13.251 1.00 12.27 H new ATOM 0 HD12 ILE B 61 -12.121 25.508 13.165 1.00 12.27 H new ATOM 0 HD13 ILE B 61 -11.483 26.471 12.082 1.00 12.27 H new ATOM 1761 N ASP B 62 -11.519 23.000 8.773 1.00 7.89 N ATOM 1762 CA ASP B 62 -11.480 21.994 7.726 1.00 8.22 C ATOM 1763 C ASP B 62 -12.324 20.775 7.971 1.00 8.70 C ATOM 1764 O ASP B 62 -12.830 20.171 7.040 1.00 8.86 O ATOM 1765 CB ASP B 62 -10.036 21.615 7.431 1.00 9.33 C ATOM 1766 CG ASP B 62 -9.241 22.824 6.984 1.00 11.46 C ATOM 1767 OD1 ASP B 62 -9.678 23.565 6.079 1.00 11.31 O ATOM 1768 OD2 ASP B 62 -8.160 23.080 7.555 1.00 11.78 O ATOM 0 H ASP B 62 -10.959 22.863 9.411 1.00 7.89 H new ATOM 0 HA ASP B 62 -11.886 22.408 6.949 1.00 8.22 H new ATOM 0 HB2 ASP B 62 -9.630 21.231 8.224 1.00 9.33 H new ATOM 0 HB3 ASP B 62 -10.011 20.934 6.741 1.00 9.33 H new ATOM 1769 N ALA B 63 -12.516 20.391 9.236 1.00 7.60 N ATOM 1770 CA ALA B 63 -13.303 19.185 9.538 1.00 7.89 C ATOM 1771 C ALA B 63 -13.897 19.345 10.932 1.00 7.21 C ATOM 1772 O ALA B 63 -13.442 20.167 11.727 1.00 7.37 O ATOM 1773 CB ALA B 63 -12.462 17.913 9.484 1.00 9.74 C ATOM 0 H ALA B 63 -12.207 20.804 9.924 1.00 7.60 H new ATOM 0 HA ALA B 63 -13.997 19.094 8.866 1.00 7.89 H new ATOM 0 HB1 ALA B 63 -13.020 17.147 9.689 1.00 9.74 H new ATOM 0 HB2 ALA B 63 -12.086 17.811 8.596 1.00 9.74 H new ATOM 0 HB3 ALA B 63 -11.744 17.972 10.133 1.00 9.74 H new ATOM 1774 N ILE B 64 -14.909 18.511 11.173 1.00 7.48 N ATOM 1775 CA AILE B 64 -15.575 18.479 12.495 0.50 7.86 C ATOM 1776 CA BILE B 64 -15.664 18.455 12.444 0.50 6.92 C ATOM 1777 C ILE B 64 -15.528 17.049 12.953 1.00 6.32 C ATOM 1778 O ILE B 64 -15.898 16.123 12.222 1.00 8.04 O ATOM 1779 CB AILE B 64 -17.018 19.060 12.460 0.50 8.19 C ATOM 1780 CB BILE B 64 -17.176 18.682 12.205 0.50 6.54 C ATOM 1781 CG1AILE B 64 -16.983 20.511 12.006 0.50 9.89 C ATOM 1782 CG1BILE B 64 -17.428 20.044 11.527 0.50 5.07 C ATOM 1783 CG2AILE B 64 -17.668 18.949 13.848 0.50 8.93 C ATOM 1784 CG2BILE B 64 -17.882 18.497 13.554 0.50 7.24 C ATOM 1785 CD1AILE B 64 -18.317 21.010 11.607 0.50 11.35 C ATOM 1786 CD1BILE B 64 -16.904 21.332 12.286 0.50 6.02 C ATOM 0 H AILE B 64 -15.228 17.958 10.597 0.50 7.48 H new ATOM 0 H BILE B 64 -15.189 17.944 10.590 0.50 7.48 H new ATOM 0 HA AILE B 64 -15.114 19.054 13.126 0.50 6.92 H new ATOM 0 HA BILE B 64 -15.326 19.132 13.051 0.50 6.92 H new ATOM 0 HB AILE B 64 -17.548 18.549 11.829 0.50 6.54 H new ATOM 0 HB BILE B 64 -17.546 18.037 11.582 0.50 6.54 H new ATOM 0 HG12AILE B 64 -16.635 21.063 12.724 0.50 5.07 H new ATOM 0 HG12BILE B 64 -17.018 20.024 10.648 0.50 5.07 H new ATOM 0 HG13AILE B 64 -16.371 20.599 11.259 0.50 5.07 H new ATOM 0 HG13BILE B 64 -18.384 20.141 11.392 0.50 5.07 H new ATOM 0 HG21AILE B 64 -18.566 19.314 13.815 0.50 7.24 H new ATOM 0 HG21BILE B 64 -18.836 18.633 13.442 0.50 7.24 H new ATOM 0 HG22AILE B 64 -17.707 18.017 14.113 0.50 7.24 H new ATOM 0 HG22BILE B 64 -17.720 17.599 13.884 0.50 7.24 H new ATOM 0 HG23AILE B 64 -17.141 19.446 14.493 0.50 7.24 H new ATOM 0 HG23BILE B 64 -17.537 19.142 14.191 0.50 7.24 H new ATOM 0 HD11AILE B 64 -18.246 21.936 11.326 0.50 6.02 H new ATOM 0 HD11BILE B 64 -17.118 22.123 11.767 0.50 6.02 H new ATOM 0 HD12AILE B 64 -18.656 20.475 10.873 0.50 6.02 H new ATOM 0 HD12BILE B 64 -17.330 21.391 13.156 0.50 6.02 H new ATOM 0 HD13AILE B 64 -18.925 20.947 12.360 0.50 6.02 H new ATOM 0 HD13BILE B 64 -15.943 21.272 12.400 0.50 6.02 H new ATOM 1787 N GLY B 65 -15.037 16.845 14.161 1.00 6.93 N ATOM 1788 CA GLY B 65 -15.001 15.511 14.763 1.00 7.34 C ATOM 1789 C GLY B 65 -15.925 15.459 15.976 1.00 7.33 C ATOM 1790 O GLY B 65 -16.276 16.491 16.570 1.00 6.90 O ATOM 0 H GLY B 65 -14.715 17.468 14.659 1.00 6.93 H new ATOM 0 HA2 GLY B 65 -15.274 14.847 14.111 1.00 7.34 H new ATOM 0 HA3 GLY B 65 -14.094 15.292 15.029 1.00 7.34 H new ATOM 1791 N GLU B 66 -16.295 14.256 16.351 1.00 6.03 N ATOM 1792 CA GLU B 66 -17.131 14.160 17.573 1.00 6.36 C ATOM 1793 C GLU B 66 -16.939 12.787 18.165 1.00 5.92 C ATOM 1794 O GLU B 66 -16.898 11.788 17.447 1.00 7.44 O ATOM 1795 CB GLU B 66 -18.635 14.389 17.205 1.00 7.68 C ATOM 1796 CG GLU B 66 -19.570 14.473 18.456 1.00 8.21 C ATOM 1797 CD GLU B 66 -20.939 14.977 18.177 1.00 8.01 C ATOM 1798 OE1 GLU B 66 -21.755 15.073 19.119 1.00 8.55 O ATOM 1799 OE2 GLU B 66 -21.255 15.308 17.011 1.00 9.66 O ATOM 0 H GLU B 66 -16.100 13.516 15.958 1.00 6.03 H new ATOM 0 HA GLU B 66 -16.870 14.837 18.217 1.00 6.36 H new ATOM 0 HB2 GLU B 66 -18.715 15.209 16.693 1.00 7.68 H new ATOM 0 HB3 GLU B 66 -18.935 13.666 16.632 1.00 7.68 H new ATOM 0 HG2 GLU B 66 -19.638 13.591 18.853 1.00 8.21 H new ATOM 0 HG3 GLU B 66 -19.155 15.050 19.116 1.00 8.21 H new ATOM 1800 N CYS B 67 -16.877 12.761 19.511 1.00 6.60 N ATOM 1801 CA CYS B 67 -16.773 11.526 20.291 1.00 7.15 C ATOM 1802 C CYS B 67 -17.892 11.389 21.276 1.00 6.96 C ATOM 1803 O CYS B 67 -18.283 12.397 21.909 1.00 7.61 O ATOM 1804 CB CYS B 67 -15.464 11.542 21.102 1.00 6.53 C ATOM 1805 SG CYS B 67 -13.969 11.466 20.092 1.00 10.04 S ATOM 0 H CYS B 67 -16.895 13.472 19.994 1.00 6.60 H new ATOM 0 HA CYS B 67 -16.803 10.789 19.661 1.00 7.15 H new ATOM 0 HB2 CYS B 67 -15.438 12.349 21.640 1.00 6.53 H new ATOM 0 HB3 CYS B 67 -15.466 10.791 21.716 1.00 6.53 H new ATOM 0 HG CYS B 67 -13.526 12.572 19.949 1.00 10.04 H new ATOM 1806 N TRP B 68 -18.414 10.167 21.346 1.00 6.69 N ATOM 1807 CA TRP B 68 -19.418 9.800 22.359 1.00 6.74 C ATOM 1808 C TRP B 68 -18.839 8.818 23.326 1.00 7.57 C ATOM 1809 O TRP B 68 -18.229 7.802 22.924 1.00 7.91 O ATOM 1810 CB TRP B 68 -20.587 9.044 21.696 1.00 8.31 C ATOM 1811 CG TRP B 68 -21.505 9.853 20.842 1.00 7.09 C ATOM 1812 CD1 TRP B 68 -22.827 10.032 21.125 1.00 8.68 C ATOM 1813 CD2 TRP B 68 -21.292 10.444 19.530 1.00 6.56 C ATOM 1814 NE1 TRP B 68 -23.457 10.718 20.103 1.00 8.99 N ATOM 1815 CE2 TRP B 68 -22.524 10.978 19.117 1.00 6.96 C ATOM 1816 CE3 TRP B 68 -20.196 10.513 18.654 1.00 7.58 C ATOM 1817 CZ2 TRP B 68 -22.691 11.673 17.896 1.00 7.54 C ATOM 1818 CZ3 TRP B 68 -20.358 11.182 17.400 1.00 8.80 C ATOM 1819 CH2 TRP B 68 -21.613 11.741 17.040 1.00 8.20 C ATOM 0 H TRP B 68 -18.201 9.526 20.813 1.00 6.69 H new ATOM 0 HA TRP B 68 -19.702 10.621 22.790 1.00 6.74 H new ATOM 0 HB2 TRP B 68 -20.218 8.330 21.153 1.00 8.31 H new ATOM 0 HB3 TRP B 68 -21.113 8.625 22.395 1.00 8.31 H new ATOM 0 HD1 TRP B 68 -23.247 9.734 21.899 1.00 8.68 H new ATOM 0 HE1 TRP B 68 -24.287 10.944 20.084 1.00 8.99 H new ATOM 0 HE3 TRP B 68 -19.380 10.131 18.885 1.00 7.58 H new ATOM 0 HZ2 TRP B 68 -23.503 12.071 17.678 1.00 7.54 H new ATOM 0 HZ3 TRP B 68 -19.637 11.251 16.817 1.00 8.80 H new ATOM 0 HH2 TRP B 68 -21.709 12.159 16.215 1.00 8.20 H new ATOM 1820 N PHE B 69 -19.089 9.085 24.620 1.00 7.35 N ATOM 1821 CA PHE B 69 -18.648 8.156 25.700 1.00 8.05 C ATOM 1822 C PHE B 69 -19.845 7.837 26.538 1.00 8.00 C ATOM 1823 O PHE B 69 -20.597 8.765 26.954 1.00 9.10 O ATOM 1824 CB PHE B 69 -17.562 8.786 26.584 1.00 9.79 C ATOM 1825 CG PHE B 69 -16.410 9.291 25.815 1.00 8.57 C ATOM 1826 CD1 PHE B 69 -15.362 8.433 25.436 1.00 10.74 C ATOM 1827 CD2 PHE B 69 -16.363 10.614 25.404 1.00 10.47 C ATOM 1828 CE1 PHE B 69 -14.289 8.886 24.639 1.00 10.57 C ATOM 1829 CE2 PHE B 69 -15.302 11.071 24.600 1.00 9.94 C ATOM 1830 CZ PHE B 69 -14.253 10.229 24.261 1.00 11.05 C ATOM 0 H PHE B 69 -19.505 9.785 24.897 1.00 7.35 H new ATOM 0 HA PHE B 69 -18.270 7.358 25.299 1.00 8.05 H new ATOM 0 HB2 PHE B 69 -17.950 9.516 27.092 1.00 9.79 H new ATOM 0 HB3 PHE B 69 -17.252 8.127 27.225 1.00 9.79 H new ATOM 0 HD1 PHE B 69 -15.376 7.547 25.717 1.00 10.74 H new ATOM 0 HD2 PHE B 69 -17.036 11.203 25.661 1.00 10.47 H new ATOM 0 HE1 PHE B 69 -13.618 8.300 24.371 1.00 10.57 H new ATOM 0 HE2 PHE B 69 -15.304 11.949 24.292 1.00 9.94 H new ATOM 0 HZ PHE B 69 -13.527 10.559 23.783 1.00 11.05 H new ATOM 1831 N ALA B 70 -20.103 6.542 26.818 1.00 8.42 N ATOM 1832 CA ALA B 70 -21.314 6.161 27.505 1.00 9.58 C ATOM 1833 C ALA B 70 -21.358 6.519 28.974 1.00 11.38 C ATOM 1834 O ALA B 70 -22.464 6.561 29.519 1.00 12.87 O ATOM 1835 CB ALA B 70 -21.550 4.661 27.312 1.00 10.51 C ATOM 0 H ALA B 70 -19.583 5.888 26.613 1.00 8.42 H new ATOM 0 HA ALA B 70 -22.027 6.682 27.104 1.00 9.58 H new ATOM 0 HB1 ALA B 70 -22.363 4.399 27.772 1.00 10.51 H new ATOM 0 HB2 ALA B 70 -21.637 4.466 26.366 1.00 10.51 H new ATOM 0 HB3 ALA B 70 -20.800 4.166 27.676 1.00 10.51 H new ATOM 1836 N SER B 71 -20.208 6.714 29.580 1.00 10.35 N ATOM 1837 CA SER B 71 -20.176 6.998 31.026 1.00 11.18 C ATOM 1838 C SER B 71 -18.828 7.577 31.338 1.00 11.81 C ATOM 1839 O SER B 71 -17.889 7.476 30.541 1.00 11.07 O ATOM 1840 CB SER B 71 -20.382 5.694 31.825 1.00 12.50 C ATOM 1841 OG SER B 71 -19.211 4.883 31.654 1.00 11.91 O ATOM 0 H SER B 71 -19.440 6.690 29.194 1.00 10.35 H new ATOM 0 HA SER B 71 -20.882 7.617 31.268 1.00 11.18 H new ATOM 0 HB2 SER B 71 -20.525 5.890 32.764 1.00 12.50 H new ATOM 0 HB3 SER B 71 -21.170 5.224 31.510 1.00 12.50 H new ATOM 0 HG SER B 71 -19.226 4.250 32.206 1.00 11.91 H new ATOM 1842 N GLU B 72 -18.650 8.129 32.546 1.00 11.68 N ATOM 1843 CA AGLU B 72 -17.403 8.680 33.035 0.50 12.45 C ATOM 1844 CA BGLU B 72 -17.367 8.721 32.865 0.50 13.20 C ATOM 1845 C GLU B 72 -16.331 7.598 33.068 1.00 11.22 C ATOM 1846 O GLU B 72 -15.189 7.806 32.714 1.00 12.33 O ATOM 1847 CB AGLU B 72 -17.625 9.210 34.470 0.50 11.84 C ATOM 1848 CB BGLU B 72 -17.446 9.770 34.009 0.50 15.20 C ATOM 1849 CG AGLU B 72 -18.362 10.534 34.474 0.50 16.62 C ATOM 1850 CG BGLU B 72 -16.458 9.632 35.141 0.50 19.12 C ATOM 1851 CD AGLU B 72 -18.356 11.219 35.841 0.50 20.12 C ATOM 1852 CD BGLU B 72 -15.050 10.192 34.901 0.50 26.12 C ATOM 1853 OE1AGLU B 72 -17.634 10.779 36.762 0.50 23.74 O ATOM 1854 OE1BGLU B 72 -14.723 10.719 33.800 0.50 26.58 O ATOM 1855 OE2AGLU B 72 -19.077 12.229 35.972 0.50 22.90 O ATOM 1856 OE2BGLU B 72 -14.239 10.068 35.859 0.50 26.77 O ATOM 0 H AGLU B 72 -19.288 8.190 33.120 0.50 11.68 H new ATOM 0 H BGLU B 72 -19.243 8.166 33.168 0.50 11.68 H new ATOM 0 HA AGLU B 72 -17.115 9.397 32.448 0.50 13.20 H new ATOM 0 HA BGLU B 72 -17.061 9.256 32.116 0.50 13.20 H new ATOM 0 HB2AGLU B 72 -18.129 8.558 34.981 0.50 15.20 H new ATOM 0 HB2BGLU B 72 -17.334 10.650 33.618 0.50 15.20 H new ATOM 0 HB3AGLU B 72 -16.768 9.316 34.912 0.50 15.20 H new ATOM 0 HB3BGLU B 72 -18.340 9.738 34.385 0.50 15.20 H new ATOM 0 HG2AGLU B 72 -17.957 11.125 33.820 0.50 19.12 H new ATOM 0 HG2BGLU B 72 -16.829 10.072 35.922 0.50 19.12 H new ATOM 0 HG3AGLU B 72 -19.280 10.388 34.195 0.50 19.12 H new ATOM 0 HG3BGLU B 72 -16.376 8.690 35.358 0.50 19.12 H new ATOM 1857 N GLU B 73 -16.747 6.409 33.506 1.00 11.64 N ATOM 1858 CA GLU B 73 -15.749 5.312 33.629 1.00 11.22 C ATOM 1859 C GLU B 73 -15.230 4.883 32.227 1.00 11.00 C ATOM 1860 O GLU B 73 -14.049 4.564 32.027 1.00 12.18 O ATOM 1861 CB GLU B 73 -16.297 4.107 34.355 1.00 11.34 C ATOM 1862 CG GLU B 73 -16.629 4.371 35.847 1.00 13.79 C ATOM 1863 CD GLU B 73 -17.963 5.075 36.084 1.00 13.86 C ATOM 1864 OE1 GLU B 73 -18.839 5.311 35.186 1.00 14.16 O ATOM 1865 OE2 GLU B 73 -18.188 5.391 37.288 1.00 15.36 O ATOM 0 H GLU B 73 -17.554 6.211 33.729 1.00 11.64 H new ATOM 0 HA GLU B 73 -15.015 5.665 34.156 1.00 11.22 H new ATOM 0 HB2 GLU B 73 -17.100 3.805 33.902 1.00 11.34 H new ATOM 0 HB3 GLU B 73 -15.651 3.385 34.299 1.00 11.34 H new ATOM 0 HG2 GLU B 73 -16.635 3.524 36.320 1.00 13.79 H new ATOM 0 HG3 GLU B 73 -15.920 4.908 36.234 1.00 13.79 H new ATOM 1866 N GLN B 74 -16.144 4.894 31.252 1.00 10.70 N ATOM 1867 CA GLN B 74 -15.706 4.560 29.898 1.00 10.46 C ATOM 1868 C GLN B 74 -14.800 5.633 29.331 1.00 10.62 C ATOM 1869 O GLN B 74 -13.820 5.309 28.706 1.00 10.04 O ATOM 1870 CB GLN B 74 -16.931 4.311 29.017 1.00 10.73 C ATOM 1871 CG GLN B 74 -17.687 2.999 29.292 1.00 12.35 C ATOM 1872 CD GLN B 74 -16.792 1.810 28.994 1.00 12.51 C ATOM 1873 OE1 GLN B 74 -16.317 1.680 27.860 1.00 15.10 O ATOM 1874 NE2 GLN B 74 -16.589 0.945 29.943 1.00 14.46 N ATOM 0 H GLN B 74 -16.978 5.082 31.345 1.00 10.70 H new ATOM 0 HA GLN B 74 -15.178 3.747 29.923 1.00 10.46 H new ATOM 0 HB2 GLN B 74 -17.547 5.051 29.130 1.00 10.73 H new ATOM 0 HB3 GLN B 74 -16.649 4.316 28.089 1.00 10.73 H new ATOM 0 HG2 GLN B 74 -17.976 2.972 30.218 1.00 12.35 H new ATOM 0 HG3 GLN B 74 -18.486 2.957 28.744 1.00 12.35 H new ATOM 0 HE21 GLN B 74 -16.936 1.070 30.720 1.00 14.46 H new ATOM 0 HE22 GLN B 74 -16.107 0.248 29.794 1.00 14.46 H new ATOM 1875 N TYR B 75 -15.050 6.907 29.615 1.00 11.16 N ATOM 1876 CA TYR B 75 -14.121 7.962 29.256 1.00 11.18 C ATOM 1877 C TYR B 75 -12.735 7.716 29.838 1.00 13.32 C ATOM 1878 O TYR B 75 -11.717 7.883 29.144 1.00 13.96 O ATOM 1879 CB TYR B 75 -14.685 9.362 29.602 1.00 12.82 C ATOM 1880 CG TYR B 75 -13.759 10.473 29.245 1.00 13.66 C ATOM 1881 CD1 TYR B 75 -13.646 10.919 27.924 1.00 13.99 C ATOM 1882 CD2 TYR B 75 -13.021 11.125 30.221 1.00 16.34 C ATOM 1883 CE1 TYR B 75 -12.787 11.954 27.585 1.00 16.50 C ATOM 1884 CE2 TYR B 75 -12.186 12.162 29.887 1.00 18.08 C ATOM 1885 CZ TYR B 75 -12.080 12.570 28.575 1.00 21.14 C ATOM 1886 OH TYR B 75 -11.252 13.651 28.277 1.00 24.00 O ATOM 0 H TYR B 75 -15.759 7.179 30.019 1.00 11.16 H new ATOM 0 HA TYR B 75 -14.014 7.945 28.292 1.00 11.18 H new ATOM 0 HB2 TYR B 75 -15.527 9.489 29.137 1.00 12.82 H new ATOM 0 HB3 TYR B 75 -14.877 9.401 30.552 1.00 12.82 H new ATOM 0 HD1 TYR B 75 -14.156 10.514 27.260 1.00 13.99 H new ATOM 0 HD2 TYR B 75 -13.092 10.858 31.109 1.00 16.34 H new ATOM 0 HE1 TYR B 75 -12.695 12.223 26.699 1.00 16.50 H new ATOM 0 HE2 TYR B 75 -11.691 12.590 30.548 1.00 18.08 H new ATOM 0 HH TYR B 75 -11.007 14.021 28.990 1.00 24.00 H new ATOM 1887 N GLN B 76 -12.692 7.271 31.104 1.00 12.77 N ATOM 1888 CA GLN B 76 -11.385 7.000 31.694 1.00 15.37 C ATOM 1889 C GLN B 76 -10.703 5.808 31.092 1.00 14.11 C ATOM 1890 O GLN B 76 -9.478 5.858 30.920 1.00 15.34 O ATOM 1891 CB GLN B 76 -11.518 6.850 33.217 1.00 17.21 C ATOM 1892 CG GLN B 76 -11.847 8.131 33.933 1.00 21.65 C ATOM 1893 CD GLN B 76 -10.915 9.303 33.558 1.00 26.19 C ATOM 1894 OE1 GLN B 76 -9.714 9.098 33.243 1.00 31.18 O ATOM 1895 NE2 GLN B 76 -11.450 10.522 33.602 1.00 29.57 N ATOM 0 H GLN B 76 -13.373 7.128 31.610 1.00 12.77 H new ATOM 0 HA GLN B 76 -10.817 7.761 31.494 1.00 15.37 H new ATOM 0 HB2 GLN B 76 -12.209 6.197 33.409 1.00 17.21 H new ATOM 0 HB3 GLN B 76 -10.687 6.497 33.571 1.00 17.21 H new ATOM 0 HG2 GLN B 76 -12.763 8.379 33.733 1.00 21.65 H new ATOM 0 HG3 GLN B 76 -11.797 7.980 34.890 1.00 21.65 H new ATOM 0 HE21 GLN B 76 -12.275 10.622 33.822 1.00 29.57 H new ATOM 0 HE22 GLN B 76 -10.970 11.209 33.410 1.00 29.57 H new ATOM 1896 N VAL B 77 -11.450 4.759 30.710 1.00 12.96 N ATOM 1897 CA VAL B 77 -10.884 3.600 29.987 1.00 13.87 C ATOM 1898 C VAL B 77 -10.201 4.092 28.705 1.00 14.01 C ATOM 1899 O VAL B 77 -9.057 3.780 28.452 1.00 16.83 O ATOM 1900 CB VAL B 77 -11.940 2.568 29.645 1.00 13.20 C ATOM 1901 CG1 VAL B 77 -11.443 1.567 28.625 1.00 16.66 C ATOM 1902 CG2 VAL B 77 -12.347 1.851 30.941 1.00 15.25 C ATOM 0 H VAL B 77 -12.294 4.698 30.861 1.00 12.96 H new ATOM 0 HA VAL B 77 -10.239 3.169 30.569 1.00 13.87 H new ATOM 0 HB VAL B 77 -12.703 3.017 29.248 1.00 13.20 H new ATOM 0 HG11 VAL B 77 -12.144 0.925 28.433 1.00 16.66 H new ATOM 0 HG12 VAL B 77 -11.197 2.031 27.809 1.00 16.66 H new ATOM 0 HG13 VAL B 77 -10.668 1.102 28.978 1.00 16.66 H new ATOM 0 HG21 VAL B 77 -13.024 1.185 30.744 1.00 15.25 H new ATOM 0 HG22 VAL B 77 -11.571 1.418 31.329 1.00 15.25 H new ATOM 0 HG23 VAL B 77 -12.704 2.497 31.570 1.00 15.25 H new ATOM 1903 N TYR B 78 -10.932 4.895 27.927 1.00 13.53 N ATOM 1904 CA TYR B 78 -10.354 5.534 26.744 1.00 14.22 C ATOM 1905 C TYR B 78 -9.123 6.364 27.080 1.00 16.15 C ATOM 1906 O TYR B 78 -8.073 6.231 26.391 1.00 16.71 O ATOM 1907 CB TYR B 78 -11.489 6.392 26.142 1.00 12.65 C ATOM 1908 CG TYR B 78 -11.082 7.560 25.240 1.00 10.38 C ATOM 1909 CD1 TYR B 78 -10.830 7.323 23.882 1.00 11.70 C ATOM 1910 CD2 TYR B 78 -11.014 8.844 25.701 1.00 10.68 C ATOM 1911 CE1 TYR B 78 -10.548 8.408 23.011 1.00 15.15 C ATOM 1912 CE2 TYR B 78 -10.732 9.924 24.863 1.00 12.32 C ATOM 1913 CZ TYR B 78 -10.503 9.662 23.510 1.00 14.94 C ATOM 1914 OH TYR B 78 -10.181 10.717 22.680 1.00 19.62 O ATOM 0 H TYR B 78 -11.760 5.081 28.067 1.00 13.53 H new ATOM 0 HA TYR B 78 -10.035 4.874 26.109 1.00 14.22 H new ATOM 0 HB2 TYR B 78 -12.070 5.806 25.631 1.00 12.65 H new ATOM 0 HB3 TYR B 78 -12.017 6.748 26.874 1.00 12.65 H new ATOM 0 HD1 TYR B 78 -10.848 6.454 23.551 1.00 11.70 H new ATOM 0 HD2 TYR B 78 -11.161 9.004 26.605 1.00 10.68 H new ATOM 0 HE1 TYR B 78 -10.396 8.257 22.106 1.00 15.15 H new ATOM 0 HE2 TYR B 78 -10.698 10.792 25.195 1.00 12.32 H new ATOM 0 HH TYR B 78 -10.164 11.429 23.125 1.00 19.62 H new ATOM 1915 N MET B 79 -9.177 7.222 28.093 1.00 16.41 N ATOM 1916 CA AMET B 79 -8.015 8.073 28.410 0.50 19.55 C ATOM 1917 CA BMET B 79 -8.020 8.061 28.442 0.50 19.63 C ATOM 1918 C MET B 79 -6.776 7.232 28.731 1.00 20.61 C ATOM 1919 O MET B 79 -5.639 7.653 28.416 1.00 22.20 O ATOM 1920 CB AMET B 79 -8.311 9.067 29.546 0.50 19.51 C ATOM 1921 CB BMET B 79 -8.343 8.974 29.628 0.50 19.74 C ATOM 1922 CG AMET B 79 -9.390 10.110 29.242 0.50 21.26 C ATOM 1923 CG BMET B 79 -9.197 10.154 29.236 0.50 21.46 C ATOM 1924 SD AMET B 79 -8.960 11.345 27.983 0.50 19.66 S ATOM 1925 SD BMET B 79 -8.494 10.963 27.782 0.50 21.21 S ATOM 1926 CE AMET B 79 -7.468 12.055 28.714 0.50 21.01 C ATOM 1927 CE BMET B 79 -6.906 11.431 28.500 0.50 20.06 C ATOM 0 H AMET B 79 -9.859 7.332 28.605 0.50 16.41 H new ATOM 0 H BMET B 79 -9.868 7.338 28.592 0.50 16.41 H new ATOM 0 HA AMET B 79 -7.829 8.594 27.614 0.50 19.63 H new ATOM 0 HA BMET B 79 -7.828 8.613 27.668 0.50 19.63 H new ATOM 0 HB2AMET B 79 -8.579 8.566 30.332 0.50 19.74 H new ATOM 0 HB2BMET B 79 -8.801 8.461 30.312 0.50 19.74 H new ATOM 0 HB3AMET B 79 -7.489 9.530 29.772 0.50 19.74 H new ATOM 0 HB3BMET B 79 -7.516 9.294 30.020 0.50 19.74 H new ATOM 0 HG2AMET B 79 -10.193 9.647 28.956 0.50 21.46 H new ATOM 0 HG2BMET B 79 -10.102 9.860 29.047 0.50 21.46 H new ATOM 0 HG3AMET B 79 -9.609 10.574 30.065 0.50 21.46 H new ATOM 0 HG3BMET B 79 -9.251 10.783 29.972 0.50 21.46 H new ATOM 0 HE1AMET B 79 -7.282 12.913 28.301 0.50 20.06 H new ATOM 0 HE1BMET B 79 -6.504 12.134 27.966 0.50 20.06 H new ATOM 0 HE2AMET B 79 -7.601 12.177 29.667 0.50 20.06 H new ATOM 0 HE2BMET B 79 -7.042 11.751 29.406 0.50 20.06 H new ATOM 0 HE3AMET B 79 -6.719 11.456 28.567 0.50 20.06 H new ATOM 0 HE3BMET B 79 -6.317 10.660 28.515 0.50 20.06 H new ATOM 1928 N GLU B 80 -6.971 6.023 29.289 1.00 21.71 N ATOM 1929 CA GLU B 80 -5.814 5.183 29.655 1.00 24.87 C ATOM 1930 C GLU B 80 -5.382 4.192 28.560 1.00 25.90 C ATOM 1931 O GLU B 80 -4.372 3.488 28.730 1.00 26.95 O ATOM 1932 CB GLU B 80 -6.157 4.420 30.947 1.00 25.54 C ATOM 1933 CG GLU B 80 -6.407 5.333 32.149 1.00 30.03 C ATOM 1934 CD GLU B 80 -7.168 4.633 33.296 1.00 38.30 C ATOM 1935 OE1 GLU B 80 -7.397 3.407 33.198 1.00 41.04 O ATOM 1936 OE2 GLU B 80 -7.551 5.311 34.288 1.00 41.45 O ATOM 0 H GLU B 80 -7.741 5.680 29.459 1.00 21.71 H new ATOM 0 HA GLU B 80 -5.058 5.777 29.780 1.00 24.87 H new ATOM 0 HB2 GLU B 80 -6.946 3.877 30.793 1.00 25.54 H new ATOM 0 HB3 GLU B 80 -5.431 3.812 31.157 1.00 25.54 H new ATOM 0 HG2 GLU B 80 -5.556 5.658 32.484 1.00 30.03 H new ATOM 0 HG3 GLU B 80 -6.912 6.109 31.859 1.00 30.03 H new ATOM 1937 N SER B 81 -6.107 4.090 27.454 1.00 25.94 N ATOM 1938 CA SER B 81 -5.826 3.045 26.467 1.00 27.34 C ATOM 1939 C SER B 81 -4.593 3.392 25.632 1.00 28.33 C ATOM 1940 O SER B 81 -4.490 4.493 25.080 1.00 27.15 O ATOM 1941 CB SER B 81 -7.041 2.722 25.595 1.00 27.07 C ATOM 1942 OG SER B 81 -7.409 3.771 24.727 1.00 30.06 O ATOM 0 H SER B 81 -6.762 4.610 27.253 1.00 25.94 H new ATOM 0 HA SER B 81 -5.626 2.233 26.959 1.00 27.34 H new ATOM 0 HB2 SER B 81 -6.851 1.929 25.069 1.00 27.07 H new ATOM 0 HB3 SER B 81 -7.793 2.508 26.169 1.00 27.07 H new ATOM 0 HG SER B 81 -7.596 4.455 25.177 1.00 30.06 H new ATOM 1943 N ASP B 82 -3.598 2.505 25.565 1.00 29.53 N ATOM 1944 CA ASP B 82 -2.463 2.903 24.697 1.00 29.48 C ATOM 1945 C ASP B 82 -2.918 3.024 23.235 1.00 28.59 C ATOM 1946 O ASP B 82 -2.275 3.694 22.437 1.00 28.86 O ATOM 1947 CB ASP B 82 -1.191 2.059 24.856 1.00 31.71 C ATOM 1948 CG ASP B 82 -1.460 0.684 25.414 1.00 33.23 C ATOM 1949 OD1 ASP B 82 -0.754 0.306 26.378 1.00 40.55 O ATOM 1950 OD2 ASP B 82 -2.345 -0.033 24.888 1.00 39.52 O ATOM 0 H ASP B 82 -3.548 1.745 25.963 1.00 29.53 H new ATOM 0 HA ASP B 82 -2.187 3.779 25.009 1.00 29.48 H new ATOM 0 HB2 ASP B 82 -0.757 1.973 23.993 1.00 31.71 H new ATOM 0 HB3 ASP B 82 -0.572 2.524 25.440 1.00 31.71 H new ATOM 1951 N AILE B 83 -4.040 2.380 22.923 0.50 27.32 N ATOM 1952 N BILE B 83 -4.032 2.383 22.901 0.50 27.71 N ATOM 1953 CA AILE B 83 -4.710 2.492 21.642 0.50 25.80 C ATOM 1954 CA BILE B 83 -4.542 2.404 21.545 0.50 26.49 C ATOM 1955 C AILE B 83 -5.133 3.945 21.333 0.50 23.98 C ATOM 1956 C BILE B 83 -5.268 3.726 21.197 0.50 24.47 C ATOM 1957 O AILE B 83 -4.887 4.471 20.237 0.50 23.47 O ATOM 1958 O BILE B 83 -5.386 4.100 20.016 0.50 24.17 O ATOM 1959 CB AILE B 83 -5.889 1.545 21.601 0.50 25.92 C ATOM 1960 CB BILE B 83 -5.255 1.076 21.221 0.50 27.36 C ATOM 1961 CG1AILE B 83 -5.381 0.100 21.717 0.50 27.45 C ATOM 1962 CG1BILE B 83 -6.571 1.245 20.485 0.50 25.71 C ATOM 1963 CG2AILE B 83 -6.654 1.730 20.320 0.50 25.51 C ATOM 1964 CG2BILE B 83 -5.456 0.257 22.476 0.50 28.42 C ATOM 1965 CD1AILE B 83 -6.456 -0.951 21.807 0.50 28.81 C ATOM 1966 CD1BILE B 83 -7.097 -0.111 20.058 0.50 25.73 C ATOM 0 H AILE B 83 -4.440 1.851 23.471 0.50 27.71 H new ATOM 0 H BILE B 83 -4.508 1.927 23.453 0.50 27.71 H new ATOM 0 HA AILE B 83 -4.083 2.240 20.946 0.50 26.49 H new ATOM 0 HA BILE B 83 -3.808 2.432 20.911 0.50 26.49 H new ATOM 0 HB AILE B 83 -6.484 1.735 22.343 0.50 27.36 H new ATOM 0 HB BILE B 83 -4.666 0.603 20.613 0.50 27.36 H new ATOM 0 HG12AILE B 83 -4.822 -0.094 20.948 0.50 25.71 H new ATOM 0 HG12BILE B 83 -7.217 1.686 21.058 0.50 25.71 H new ATOM 0 HG13AILE B 83 -4.816 0.033 22.503 0.50 25.71 H new ATOM 0 HG13BILE B 83 -6.446 1.812 19.708 0.50 25.71 H new ATOM 0 HG21AILE B 83 -7.408 1.120 20.302 0.50 28.42 H new ATOM 0 HG21BILE B 83 -5.905 -0.573 22.252 0.50 28.42 H new ATOM 0 HG22AILE B 83 -6.977 2.643 20.265 0.50 28.42 H new ATOM 0 HG22BILE B 83 -4.594 0.060 22.876 0.50 28.42 H new ATOM 0 HG23AILE B 83 -6.072 1.547 19.566 0.50 28.42 H new ATOM 0 HG23BILE B 83 -5.998 0.758 23.106 0.50 28.42 H new ATOM 0 HD11AILE B 83 -6.047 -1.828 21.877 0.50 25.73 H new ATOM 0 HD11BILE B 83 -7.938 0.001 19.588 0.50 25.73 H new ATOM 0 HD12AILE B 83 -7.004 -0.787 22.590 0.50 25.73 H new ATOM 0 HD12BILE B 83 -6.453 -0.538 19.471 0.50 25.73 H new ATOM 0 HD13AILE B 83 -7.010 -0.916 21.012 0.50 25.73 H new ATOM 0 HD13BILE B 83 -7.237 -0.666 20.842 0.50 25.73 H new ATOM 1967 N AARG B 84 -5.740 4.617 22.306 0.50 22.02 N ATOM 1968 N BARG B 84 -5.678 4.459 22.236 0.50 22.34 N ATOM 1969 CA AARG B 84 -5.978 6.044 22.147 0.50 20.42 C ATOM 1970 CA BARG B 84 -5.965 5.884 22.087 0.50 20.18 C ATOM 1971 C AARG B 84 -4.666 6.780 21.919 0.50 20.29 C ATOM 1972 C BARG B 84 -4.674 6.673 21.864 0.50 20.25 C ATOM 1973 O AARG B 84 -4.582 7.718 21.145 0.50 19.16 O ATOM 1974 O BARG B 84 -4.620 7.549 21.035 0.50 18.94 O ATOM 1975 CB AARG B 84 -6.693 6.637 23.357 0.50 19.17 C ATOM 1976 CB BARG B 84 -6.735 6.464 23.282 0.50 18.65 C ATOM 1977 CG AARG B 84 -6.498 8.151 23.451 0.50 20.10 C ATOM 1978 CG BARG B 84 -7.114 7.932 23.045 0.50 18.75 C ATOM 1979 CD AARG B 84 -7.403 8.751 24.495 0.50 21.61 C ATOM 1980 CD BARG B 84 -7.317 8.715 24.327 0.50 19.53 C ATOM 1981 NE AARG B 84 -6.901 10.009 25.021 0.50 24.61 N ATOM 1982 NE BARG B 84 -6.289 8.447 25.304 0.50 20.18 N ATOM 1983 CZ AARG B 84 -5.628 10.384 24.934 0.50 26.34 C ATOM 1984 CZ BARG B 84 -5.277 9.262 25.577 0.50 22.08 C ATOM 1985 NH1AARG B 84 -4.752 9.606 24.314 0.50 25.80 N ATOM 1986 NH1BARG B 84 -5.141 10.425 24.943 0.50 20.92 N ATOM 1987 NH2AARG B 84 -5.235 11.530 25.459 0.50 26.96 N ATOM 1988 NH2BARG B 84 -4.399 8.909 26.507 0.50 23.09 N ATOM 0 H AARG B 84 -6.015 4.276 23.046 0.50 22.34 H new ATOM 0 H BARG B 84 -5.795 4.150 23.030 0.50 22.34 H new ATOM 0 HA AARG B 84 -6.551 6.155 21.372 0.50 20.18 H new ATOM 0 HA BARG B 84 -6.537 5.970 21.308 0.50 20.18 H new ATOM 0 HB2AARG B 84 -7.640 6.436 23.302 0.50 18.65 H new ATOM 0 HB2BARG B 84 -7.538 5.942 23.436 0.50 18.65 H new ATOM 0 HB3AARG B 84 -6.360 6.218 24.166 0.50 18.65 H new ATOM 0 HB3BARG B 84 -6.193 6.393 24.083 0.50 18.65 H new ATOM 0 HG2AARG B 84 -5.573 8.348 23.668 0.50 18.75 H new ATOM 0 HG2BARG B 84 -6.418 8.358 22.520 0.50 18.75 H new ATOM 0 HG3AARG B 84 -6.680 8.558 22.589 0.50 18.75 H new ATOM 0 HG3BARG B 84 -7.928 7.968 22.519 0.50 18.75 H new ATOM 0 HD2AARG B 84 -8.282 8.894 24.111 0.50 19.53 H new ATOM 0 HD2BARG B 84 -7.328 9.664 24.125 0.50 19.53 H new ATOM 0 HD3AARG B 84 -7.511 8.121 25.224 0.50 19.53 H new ATOM 0 HD3BARG B 84 -8.183 8.495 24.704 0.50 19.53 H new ATOM 0 HE AARG B 84 -7.456 10.539 25.409 0.50 20.18 H new ATOM 0 HE BARG B 84 -6.335 7.707 25.740 0.50 20.18 H new ATOM 0 HH11AARG B 84 -5.007 8.861 23.969 0.50 20.92 H new ATOM 0 HH11BARG B 84 -5.714 10.659 24.346 0.50 20.92 H new ATOM 0 HH12AARG B 84 -3.928 9.847 24.257 0.50 20.92 H new ATOM 0 HH12BARG B 84 -4.480 10.942 25.131 0.50 20.92 H new ATOM 0 HH21AARG B 84 -5.803 12.037 25.859 0.50 23.09 H new ATOM 0 HH21BARG B 84 -4.490 8.162 26.923 0.50 23.09 H new ATOM 0 HH22AARG B 84 -4.411 11.769 25.401 0.50 23.09 H new ATOM 0 HH22BARG B 84 -3.739 9.427 26.694 0.50 23.09 H new ATOM 1989 N LYS B 85 -3.616 6.342 22.602 1.00 21.08 N ATOM 1990 CA LYS B 85 -2.310 6.922 22.366 1.00 21.87 C ATOM 1991 C LYS B 85 -1.815 6.774 20.910 1.00 19.92 C ATOM 1992 O LYS B 85 -1.338 7.759 20.362 1.00 21.48 O ATOM 1993 CB LYS B 85 -1.312 6.302 23.367 1.00 24.66 C ATOM 1994 CG LYS B 85 -1.446 6.948 24.759 1.00 29.04 C ATOM 1995 CD LYS B 85 -0.844 6.089 25.879 1.00 34.80 C ATOM 1996 CE LYS B 85 -1.619 6.272 27.205 1.00 36.18 C ATOM 1997 NZ LYS B 85 -1.349 5.204 28.232 1.00 40.70 N ATOM 0 H ALYS B 85 -3.640 5.720 23.196 0.50 21.08 H new ATOM 0 H BLYS B 85 -3.641 5.777 23.250 0.50 21.08 H new ATOM 0 HA LYS B 85 -2.380 7.879 22.506 1.00 21.87 H new ATOM 0 HB2 LYS B 85 -1.469 5.347 23.434 1.00 24.66 H new ATOM 0 HB3 LYS B 85 -0.407 6.419 23.039 1.00 24.66 H new ATOM 0 HG2 LYS B 85 -1.009 7.814 24.752 1.00 29.04 H new ATOM 0 HG3 LYS B 85 -2.384 7.106 24.948 1.00 29.04 H new ATOM 0 HD2 LYS B 85 -0.861 5.155 25.618 1.00 34.80 H new ATOM 0 HD3 LYS B 85 0.086 6.330 26.010 1.00 34.80 H new ATOM 0 HE2 LYS B 85 -1.392 7.135 27.584 1.00 36.18 H new ATOM 0 HE3 LYS B 85 -2.570 6.288 27.012 1.00 36.18 H new ATOM 0 HZ1 LYS B 85 -1.825 5.370 28.966 1.00 40.70 H new ATOM 0 HZ2 LYS B 85 -1.580 4.410 27.903 1.00 40.70 H new ATOM 0 HZ3 LYS B 85 -0.483 5.200 28.435 1.00 40.70 H new ATOM 1998 N ALA B 86 -2.020 5.594 20.302 1.00 20.47 N ATOM 1999 CA ALA B 86 -1.741 5.335 18.876 1.00 20.18 C ATOM 2000 C ALA B 86 -2.553 6.290 17.998 1.00 18.72 C ATOM 2001 O ALA B 86 -2.032 6.925 17.064 1.00 19.19 O ATOM 2002 CB ALA B 86 -2.032 3.873 18.481 1.00 20.19 C ATOM 0 H ALA B 86 -2.332 4.908 20.716 1.00 20.47 H new ATOM 0 HA ALA B 86 -0.794 5.490 18.734 1.00 20.18 H new ATOM 0 HB1 ALA B 86 -1.836 3.747 17.539 1.00 20.19 H new ATOM 0 HB2 ALA B 86 -1.477 3.278 19.009 1.00 20.19 H new ATOM 0 HB3 ALA B 86 -2.967 3.673 18.646 1.00 20.19 H new ATOM 2003 N TRP B 87 -3.832 6.419 18.354 1.00 16.95 N ATOM 2004 CA TRP B 87 -4.736 7.303 17.580 1.00 15.49 C ATOM 2005 C TRP B 87 -4.258 8.734 17.649 1.00 14.31 C ATOM 2006 O TRP B 87 -4.179 9.440 16.621 1.00 14.26 O ATOM 2007 CB TRP B 87 -6.106 7.170 18.220 1.00 14.65 C ATOM 2008 CG TRP B 87 -7.276 7.689 17.401 1.00 13.31 C ATOM 2009 CD1 TRP B 87 -7.510 7.480 16.053 1.00 14.16 C ATOM 2010 CD2 TRP B 87 -8.462 8.377 17.929 1.00 13.10 C ATOM 2011 NE1 TRP B 87 -8.735 8.026 15.723 1.00 12.71 N ATOM 2012 CE2 TRP B 87 -9.309 8.618 16.822 1.00 13.64 C ATOM 2013 CE3 TRP B 87 -8.817 8.901 19.196 1.00 15.31 C ATOM 2014 CZ2 TRP B 87 -10.550 9.260 16.948 1.00 14.46 C ATOM 2015 CZ3 TRP B 87 -10.025 9.589 19.317 1.00 13.92 C ATOM 2016 CH2 TRP B 87 -10.882 9.759 18.197 1.00 15.57 C ATOM 0 H TRP B 87 -4.197 6.018 19.022 1.00 16.95 H new ATOM 0 HA TRP B 87 -4.758 7.053 16.643 1.00 15.49 H new ATOM 0 HB2 TRP B 87 -6.262 6.233 18.417 1.00 14.65 H new ATOM 0 HB3 TRP B 87 -6.094 7.640 19.068 1.00 14.65 H new ATOM 0 HD1 TRP B 87 -6.936 7.043 15.466 1.00 14.16 H new ATOM 0 HE1 TRP B 87 -9.089 7.999 14.940 1.00 12.71 H new ATOM 0 HE3 TRP B 87 -8.258 8.789 19.931 1.00 15.31 H new ATOM 0 HZ2 TRP B 87 -11.126 9.347 16.223 1.00 14.46 H new ATOM 0 HZ3 TRP B 87 -10.272 9.941 20.142 1.00 13.92 H new ATOM 0 HH2 TRP B 87 -11.685 10.216 18.305 1.00 15.57 H new ATOM 2017 N PHE B 88 -3.882 9.224 18.835 1.00 14.51 N ATOM 2018 CA PHE B 88 -3.381 10.569 18.936 1.00 16.70 C ATOM 2019 C PHE B 88 -2.059 10.779 18.179 1.00 17.35 C ATOM 2020 O PHE B 88 -1.822 11.847 17.685 1.00 18.13 O ATOM 2021 CB PHE B 88 -3.242 10.953 20.414 1.00 18.87 C ATOM 2022 CG PHE B 88 -4.543 11.470 21.032 1.00 19.26 C ATOM 2023 CD1 PHE B 88 -5.773 10.827 20.834 1.00 19.97 C ATOM 2024 CD2 PHE B 88 -4.516 12.623 21.804 1.00 24.18 C ATOM 2025 CE1 PHE B 88 -6.949 11.336 21.457 1.00 22.20 C ATOM 2026 CE2 PHE B 88 -5.669 13.138 22.427 1.00 22.70 C ATOM 2027 CZ PHE B 88 -6.886 12.508 22.239 1.00 22.77 C ATOM 0 H PHE B 88 -3.913 8.790 19.577 1.00 14.51 H new ATOM 0 HA PHE B 88 -4.025 11.154 18.507 1.00 16.70 H new ATOM 0 HB2 PHE B 88 -2.939 10.180 20.915 1.00 18.87 H new ATOM 0 HB3 PHE B 88 -2.557 11.634 20.501 1.00 18.87 H new ATOM 0 HD1 PHE B 88 -5.821 10.069 20.297 1.00 19.97 H new ATOM 0 HD2 PHE B 88 -3.708 13.071 21.914 1.00 24.18 H new ATOM 0 HE1 PHE B 88 -7.760 10.894 21.348 1.00 22.20 H new ATOM 0 HE2 PHE B 88 -5.613 13.897 22.962 1.00 22.70 H new ATOM 0 HZ PHE B 88 -7.657 12.855 22.626 1.00 22.77 H new ATOM 2028 N GLU B 89 -1.248 9.739 18.041 1.00 18.35 N ATOM 2029 CA GLU B 89 -0.033 9.916 17.227 1.00 19.42 C ATOM 2030 C GLU B 89 -0.401 10.208 15.763 1.00 17.39 C ATOM 2031 O GLU B 89 0.201 11.083 15.126 1.00 18.60 O ATOM 2032 CB GLU B 89 0.862 8.671 17.371 1.00 20.85 C ATOM 2033 CG GLU B 89 1.644 8.554 18.702 1.00 27.11 C ATOM 2034 CD GLU B 89 2.654 9.689 18.856 1.00 32.84 C ATOM 2035 OE1 GLU B 89 3.379 10.000 17.891 1.00 36.00 O ATOM 2036 OE2 GLU B 89 2.714 10.294 19.942 1.00 38.60 O ATOM 0 H GLU B 89 -1.364 8.960 18.386 1.00 18.35 H new ATOM 0 HA GLU B 89 0.469 10.683 17.545 1.00 19.42 H new ATOM 0 HB2 GLU B 89 0.307 7.881 17.271 1.00 20.85 H new ATOM 0 HB3 GLU B 89 1.499 8.665 16.640 1.00 20.85 H new ATOM 0 HG2 GLU B 89 1.023 8.568 19.447 1.00 27.11 H new ATOM 0 HG3 GLU B 89 2.105 7.701 18.734 1.00 27.11 H new ATOM 2037 N HIS B 90 -1.415 9.504 15.259 1.00 16.22 N ATOM 2038 CA HIS B 90 -1.940 9.846 13.925 1.00 15.10 C ATOM 2039 C HIS B 90 -2.489 11.259 13.895 1.00 14.40 C ATOM 2040 O HIS B 90 -2.279 12.016 12.932 1.00 14.50 O ATOM 2041 CB HIS B 90 -2.938 8.825 13.445 1.00 15.51 C ATOM 2042 CG HIS B 90 -3.492 9.167 12.100 1.00 13.87 C ATOM 2043 ND1 HIS B 90 -4.790 9.598 11.901 1.00 12.75 N ATOM 2044 CD2 HIS B 90 -2.897 9.229 10.887 1.00 12.98 C ATOM 2045 CE1 HIS B 90 -4.982 9.881 10.624 1.00 13.45 C ATOM 2046 NE2 HIS B 90 -3.832 9.683 9.977 1.00 13.30 N ATOM 0 H HIS B 90 -1.805 8.846 15.653 1.00 16.22 H new ATOM 0 HA HIS B 90 -1.200 9.822 13.298 1.00 15.10 H new ATOM 0 HB2 HIS B 90 -2.514 7.954 13.406 1.00 15.51 H new ATOM 0 HB3 HIS B 90 -3.664 8.759 14.085 1.00 15.51 H new ATOM 0 HD2 HIS B 90 -2.014 9.005 10.699 1.00 12.98 H new ATOM 0 HE1 HIS B 90 -5.780 10.168 10.243 1.00 13.45 H new ATOM 0 HE2 HIS B 90 -3.696 9.815 9.138 1.00 13.30 H new ATOM 2047 N GLY B 91 -3.207 11.629 14.962 1.00 13.69 N ATOM 2048 CA GLY B 91 -3.684 12.971 15.068 1.00 15.11 C ATOM 2049 C GLY B 91 -2.619 14.029 14.887 1.00 15.79 C ATOM 2050 O GLY B 91 -2.876 15.083 14.332 1.00 16.46 O ATOM 0 H GLY B 91 -3.416 11.112 15.617 1.00 13.69 H new ATOM 0 HA2 GLY B 91 -4.378 13.109 14.404 1.00 15.11 H new ATOM 0 HA3 GLY B 91 -4.096 13.088 15.938 1.00 15.11 H new ATOM 2051 N LYS B 92 -1.416 13.769 15.411 1.00 17.36 N ATOM 2052 CA LYS B 92 -0.316 14.744 15.265 1.00 18.88 C ATOM 2053 C LYS B 92 0.104 14.945 13.826 1.00 18.81 C ATOM 2054 O LYS B 92 0.584 16.021 13.475 1.00 20.57 O ATOM 2055 CB LYS B 92 0.928 14.324 16.068 1.00 20.48 C ATOM 2056 CG LYS B 92 0.716 14.377 17.516 1.00 24.79 C ATOM 2057 CD LYS B 92 2.015 14.002 18.197 1.00 30.75 C ATOM 2058 CE LYS B 92 1.885 14.165 19.699 1.00 34.68 C ATOM 2059 NZ LYS B 92 2.931 13.372 20.399 1.00 39.44 N ATOM 0 H LYS B 92 -1.215 13.054 15.845 1.00 17.36 H new ATOM 0 HA LYS B 92 -0.672 15.578 15.610 1.00 18.88 H new ATOM 0 HB2 LYS B 92 1.181 13.422 15.816 1.00 20.48 H new ATOM 0 HB3 LYS B 92 1.670 14.903 15.833 1.00 20.48 H new ATOM 0 HG2 LYS B 92 0.437 15.266 17.785 1.00 24.79 H new ATOM 0 HG3 LYS B 92 0.009 13.767 17.777 1.00 24.79 H new ATOM 0 HD2 LYS B 92 2.247 13.085 17.983 1.00 30.75 H new ATOM 0 HD3 LYS B 92 2.735 14.561 17.865 1.00 30.75 H new ATOM 0 HE2 LYS B 92 1.968 15.102 19.937 1.00 34.68 H new ATOM 0 HE3 LYS B 92 1.005 13.876 19.987 1.00 34.68 H new ATOM 0 HZ1 LYS B 92 2.862 13.499 21.277 1.00 39.44 H new ATOM 0 HZ2 LYS B 92 2.822 12.508 20.215 1.00 39.44 H new ATOM 0 HZ3 LYS B 92 3.736 13.634 20.124 1.00 39.44 H new ATOM 2060 N TYR B 93 -0.088 13.930 13.005 1.00 18.40 N ATOM 2061 CA TYR B 93 0.235 14.026 11.597 1.00 18.26 C ATOM 2062 C TYR B 93 -0.750 14.899 10.821 1.00 17.67 C ATOM 2063 O TYR B 93 -0.356 15.674 9.967 1.00 17.92 O ATOM 2064 CB TYR B 93 0.320 12.640 10.949 1.00 17.71 C ATOM 2065 CG TYR B 93 0.467 12.631 9.438 1.00 20.20 C ATOM 2066 CD1 TYR B 93 1.495 13.370 8.787 1.00 19.92 C ATOM 2067 CD2 TYR B 93 -0.362 11.849 8.662 1.00 20.68 C ATOM 2068 CE1 TYR B 93 1.618 13.323 7.369 1.00 19.11 C ATOM 2069 CE2 TYR B 93 -0.226 11.763 7.282 1.00 19.43 C ATOM 2070 CZ TYR B 93 0.736 12.526 6.641 1.00 21.14 C ATOM 2071 OH TYR B 93 0.822 12.410 5.280 1.00 23.21 O ATOM 0 H TYR B 93 -0.408 13.169 13.247 1.00 18.40 H new ATOM 0 HA TYR B 93 1.105 14.454 11.552 1.00 18.26 H new ATOM 0 HB2 TYR B 93 1.074 12.166 11.334 1.00 17.71 H new ATOM 0 HB3 TYR B 93 -0.478 12.141 11.183 1.00 17.71 H new ATOM 0 HD1 TYR B 93 2.087 13.884 9.288 1.00 19.92 H new ATOM 0 HD2 TYR B 93 -1.036 11.362 9.077 1.00 20.68 H new ATOM 0 HE1 TYR B 93 2.276 13.816 6.935 1.00 19.11 H new ATOM 0 HE2 TYR B 93 -0.777 11.197 6.792 1.00 19.43 H new ATOM 0 HH TYR B 93 0.219 11.894 5.004 1.00 23.21 H new ATOM 2072 N PHE B 94 -2.060 14.785 11.084 1.00 15.62 N ATOM 2073 CA PHE B 94 -3.024 15.451 10.199 1.00 14.63 C ATOM 2074 C PHE B 94 -3.899 16.532 10.857 1.00 11.58 C ATOM 2075 O PHE B 94 -4.671 17.159 10.172 1.00 11.62 O ATOM 2076 CB PHE B 94 -3.934 14.439 9.471 1.00 14.28 C ATOM 2077 CG PHE B 94 -5.172 14.081 10.273 1.00 11.33 C ATOM 2078 CD1 PHE B 94 -6.401 14.585 9.884 1.00 13.00 C ATOM 2079 CD2 PHE B 94 -5.083 13.217 11.354 1.00 13.14 C ATOM 2080 CE1 PHE B 94 -7.539 14.257 10.589 1.00 11.71 C ATOM 2081 CE2 PHE B 94 -6.226 12.928 12.089 1.00 13.12 C ATOM 2082 CZ PHE B 94 -7.448 13.458 11.694 1.00 12.47 C ATOM 0 H PHE B 94 -2.399 14.346 11.741 1.00 15.62 H new ATOM 0 HA PHE B 94 -2.454 15.913 9.564 1.00 14.63 H new ATOM 0 HB2 PHE B 94 -4.203 14.809 8.616 1.00 14.28 H new ATOM 0 HB3 PHE B 94 -3.429 13.632 9.285 1.00 14.28 H new ATOM 0 HD1 PHE B 94 -6.459 15.146 9.145 1.00 13.00 H new ATOM 0 HD2 PHE B 94 -4.267 12.835 11.584 1.00 13.14 H new ATOM 0 HE1 PHE B 94 -8.367 14.579 10.313 1.00 11.71 H new ATOM 0 HE2 PHE B 94 -6.173 12.383 12.841 1.00 13.12 H new ATOM 0 HZ PHE B 94 -8.213 13.267 12.187 1.00 12.47 H new ATOM 2083 N ILE B 95 -3.762 16.695 12.179 1.00 12.08 N ATOM 2084 CA ILE B 95 -4.482 17.800 12.859 1.00 11.55 C ATOM 2085 C ILE B 95 -3.541 18.939 13.209 1.00 13.10 C ATOM 2086 O ILE B 95 -2.728 18.797 14.132 1.00 13.94 O ATOM 2087 CB ILE B 95 -5.273 17.328 14.119 1.00 12.66 C ATOM 2088 CG1 ILE B 95 -6.210 16.166 13.722 1.00 13.96 C ATOM 2089 CG2 ILE B 95 -6.098 18.465 14.647 1.00 13.15 C ATOM 2090 CD1 ILE B 95 -6.897 15.498 14.925 1.00 14.07 C ATOM 0 H ILE B 95 -3.278 16.201 12.690 1.00 12.08 H new ATOM 0 HA ILE B 95 -5.138 18.126 12.223 1.00 11.55 H new ATOM 0 HB ILE B 95 -4.650 17.033 14.802 1.00 12.66 H new ATOM 0 HG12 ILE B 95 -6.889 16.500 13.115 1.00 13.96 H new ATOM 0 HG13 ILE B 95 -5.699 15.498 13.238 1.00 13.96 H new ATOM 0 HG21 ILE B 95 -6.590 18.172 15.430 1.00 13.15 H new ATOM 0 HG22 ILE B 95 -5.516 19.203 14.888 1.00 13.15 H new ATOM 0 HG23 ILE B 95 -6.722 18.757 13.964 1.00 13.15 H new ATOM 0 HD11 ILE B 95 -7.469 14.780 14.613 1.00 14.07 H new ATOM 0 HD12 ILE B 95 -6.224 15.138 15.523 1.00 14.07 H new ATOM 0 HD13 ILE B 95 -7.432 16.155 15.398 1.00 14.07 H new ATOM 2091 N GLY B 96 -3.656 20.038 12.499 1.00 11.25 N ATOM 2092 CA GLY B 96 -2.801 21.173 12.741 1.00 12.32 C ATOM 2093 C GLY B 96 -3.182 21.903 14.007 1.00 11.47 C ATOM 2094 O GLY B 96 -2.331 22.336 14.802 1.00 12.86 O ATOM 0 H GLY B 96 -4.228 20.148 11.866 1.00 11.25 H new ATOM 0 HA2 GLY B 96 -1.880 20.876 12.804 1.00 12.32 H new ATOM 0 HA3 GLY B 96 -2.852 21.783 11.988 1.00 12.32 H new ATOM 2095 N GLN B 97 -4.481 22.137 14.164 1.00 10.41 N ATOM 2096 CA GLN B 97 -5.031 22.855 15.332 1.00 10.75 C ATOM 2097 C GLN B 97 -6.388 22.253 15.661 1.00 10.44 C ATOM 2098 O GLN B 97 -7.081 21.788 14.758 1.00 10.38 O ATOM 2099 CB GLN B 97 -5.233 24.332 15.091 1.00 11.55 C ATOM 2100 CG GLN B 97 -3.965 25.030 14.520 1.00 13.25 C ATOM 2101 CD GLN B 97 -4.291 26.381 14.044 1.00 14.98 C ATOM 2102 OE1 GLN B 97 -4.407 26.620 12.836 1.00 17.08 O ATOM 2103 NE2 GLN B 97 -4.481 27.293 14.973 1.00 15.43 N ATOM 0 H GLN B 97 -5.078 21.886 13.598 1.00 10.41 H new ATOM 0 HA GLN B 97 -4.389 22.761 16.053 1.00 10.75 H new ATOM 0 HB2 GLN B 97 -5.971 24.457 14.474 1.00 11.55 H new ATOM 0 HB3 GLN B 97 -5.485 24.760 15.924 1.00 11.55 H new ATOM 0 HG2 GLN B 97 -3.280 25.079 15.205 1.00 13.25 H new ATOM 0 HG3 GLN B 97 -3.600 24.504 13.791 1.00 13.25 H new ATOM 0 HE21 GLN B 97 -4.391 27.087 15.803 1.00 15.43 H new ATOM 0 HE22 GLN B 97 -4.696 28.095 14.750 1.00 15.43 H new ATOM 2104 N LEU B 98 -6.722 22.278 16.951 1.00 10.26 N ATOM 2105 CA LEU B 98 -7.920 21.572 17.485 1.00 10.86 C ATOM 2106 C LEU B 98 -8.609 22.455 18.503 1.00 11.42 C ATOM 2107 O LEU B 98 -7.987 22.982 19.440 1.00 11.49 O ATOM 2108 CB LEU B 98 -7.449 20.280 18.173 1.00 11.17 C ATOM 2109 CG LEU B 98 -8.515 19.248 18.536 1.00 12.47 C ATOM 2110 CD1 LEU B 98 -9.247 18.660 17.332 1.00 13.67 C ATOM 2111 CD2 LEU B 98 -7.910 18.135 19.361 1.00 17.57 C ATOM 0 H LEU B 98 -6.270 22.700 17.549 1.00 10.26 H new ATOM 0 HA LEU B 98 -8.538 21.367 16.766 1.00 10.86 H new ATOM 0 HB2 LEU B 98 -6.801 19.850 17.593 1.00 11.17 H new ATOM 0 HB3 LEU B 98 -6.981 20.527 18.986 1.00 11.17 H new ATOM 0 HG LEU B 98 -9.181 19.728 19.053 1.00 12.47 H new ATOM 0 HD11 LEU B 98 -9.905 18.016 17.636 1.00 13.67 H new ATOM 0 HD12 LEU B 98 -9.692 19.371 16.845 1.00 13.67 H new ATOM 0 HD13 LEU B 98 -8.609 18.219 16.749 1.00 13.67 H new ATOM 0 HD21 LEU B 98 -8.597 17.487 19.584 1.00 17.57 H new ATOM 0 HD22 LEU B 98 -7.209 17.699 18.852 1.00 17.57 H new ATOM 0 HD23 LEU B 98 -7.536 18.503 20.177 1.00 17.57 H new ATOM 2112 N LYS B 99 -9.930 22.571 18.366 1.00 9.86 N ATOM 2113 CA LYS B 99 -10.795 23.206 19.367 1.00 10.06 C ATOM 2114 C LYS B 99 -11.805 22.175 19.891 1.00 9.66 C ATOM 2115 O LYS B 99 -12.713 21.813 19.148 1.00 8.89 O ATOM 2116 CB LYS B 99 -11.578 24.407 18.802 1.00 10.60 C ATOM 2117 CG LYS B 99 -12.679 24.930 19.779 1.00 11.68 C ATOM 2118 CD LYS B 99 -12.101 25.414 21.149 1.00 11.60 C ATOM 2119 CE LYS B 99 -13.278 25.849 21.977 1.00 14.48 C ATOM 2120 NZ LYS B 99 -12.754 26.479 23.265 1.00 14.02 N ATOM 0 H LYS B 99 -10.357 22.279 17.679 1.00 9.86 H new ATOM 0 HA LYS B 99 -10.218 23.531 20.075 1.00 10.06 H new ATOM 0 HB2 LYS B 99 -10.959 25.127 18.605 1.00 10.60 H new ATOM 0 HB3 LYS B 99 -11.992 24.151 17.963 1.00 10.60 H new ATOM 0 HG2 LYS B 99 -13.156 25.662 19.358 1.00 11.68 H new ATOM 0 HG3 LYS B 99 -13.325 24.224 19.938 1.00 11.68 H new ATOM 0 HD2 LYS B 99 -11.613 24.701 21.590 1.00 11.60 H new ATOM 0 HD3 LYS B 99 -11.478 26.147 21.022 1.00 11.60 H new ATOM 0 HE2 LYS B 99 -13.819 26.486 21.485 1.00 14.48 H new ATOM 0 HE3 LYS B 99 -13.847 25.090 22.180 1.00 14.48 H new ATOM 0 HZ1 LYS B 99 -13.428 26.596 23.834 1.00 14.02 H new ATOM 0 HZ2 LYS B 99 -12.146 25.942 23.632 1.00 14.02 H new ATOM 0 HZ3 LYS B 99 -12.382 27.266 23.081 1.00 14.02 H new ATOM 2121 N PRO B 100 -11.708 21.722 21.132 1.00 9.10 N ATOM 2122 CA PRO B 100 -12.753 20.806 21.715 1.00 9.50 C ATOM 2123 C PRO B 100 -13.849 21.591 22.420 1.00 10.07 C ATOM 2124 O PRO B 100 -13.605 22.577 23.109 1.00 11.09 O ATOM 2125 CB PRO B 100 -11.996 20.025 22.821 1.00 10.69 C ATOM 2126 CG PRO B 100 -10.499 20.358 22.563 1.00 12.32 C ATOM 2127 CD PRO B 100 -10.481 21.729 21.973 1.00 9.41 C ATOM 0 HA PRO B 100 -13.158 20.261 21.022 1.00 9.50 H new ATOM 0 HB2 PRO B 100 -12.274 20.305 23.707 1.00 10.69 H new ATOM 0 HB3 PRO B 100 -12.163 19.071 22.760 1.00 10.69 H new ATOM 0 HG2 PRO B 100 -9.989 20.328 23.388 1.00 12.32 H new ATOM 0 HG3 PRO B 100 -10.099 19.714 21.958 1.00 12.32 H new ATOM 0 HD2 PRO B 100 -10.513 22.418 22.655 1.00 9.41 H new ATOM 0 HD3 PRO B 100 -9.682 21.887 21.447 1.00 9.41 H new ATOM 2128 N PHE B 101 -15.071 21.124 22.291 1.00 8.23 N ATOM 2129 CA PHE B 101 -16.187 21.596 23.086 1.00 7.77 C ATOM 2130 C PHE B 101 -16.827 20.426 23.796 1.00 8.89 C ATOM 2131 O PHE B 101 -17.355 19.475 23.147 1.00 8.77 O ATOM 2132 CB PHE B 101 -17.317 22.173 22.186 1.00 8.83 C ATOM 2133 CG PHE B 101 -16.935 23.307 21.304 1.00 8.35 C ATOM 2134 CD1 PHE B 101 -16.766 24.611 21.790 1.00 9.21 C ATOM 2135 CD2 PHE B 101 -16.858 23.089 19.937 1.00 10.84 C ATOM 2136 CE1 PHE B 101 -16.518 25.681 20.916 1.00 9.96 C ATOM 2137 CE2 PHE B 101 -16.610 24.148 19.051 1.00 10.62 C ATOM 2138 CZ PHE B 101 -16.451 25.448 19.542 1.00 9.65 C ATOM 0 H PHE B 101 -15.283 20.510 21.727 1.00 8.23 H new ATOM 0 HA PHE B 101 -15.837 22.268 23.692 1.00 7.77 H new ATOM 0 HB2 PHE B 101 -17.661 21.456 21.630 1.00 8.83 H new ATOM 0 HB3 PHE B 101 -18.045 22.463 22.758 1.00 8.83 H new ATOM 0 HD1 PHE B 101 -16.819 24.769 22.705 1.00 9.21 H new ATOM 0 HD2 PHE B 101 -16.972 22.229 19.603 1.00 10.84 H new ATOM 0 HE1 PHE B 101 -16.399 26.540 21.251 1.00 9.96 H new ATOM 0 HE2 PHE B 101 -16.551 23.986 18.137 1.00 10.62 H new ATOM 0 HZ PHE B 101 -16.301 26.154 18.955 1.00 9.65 H new ATOM 2139 N VAL B 102 -16.883 20.458 25.130 1.00 9.23 N ATOM 2140 CA VAL B 102 -17.666 19.456 25.855 1.00 9.51 C ATOM 2141 C VAL B 102 -19.083 19.946 25.864 1.00 9.55 C ATOM 2142 O VAL B 102 -19.351 21.058 26.308 1.00 10.52 O ATOM 2143 CB VAL B 102 -17.126 19.270 27.261 1.00 11.10 C ATOM 2144 CG1 VAL B 102 -17.964 18.260 27.992 1.00 12.62 C ATOM 2145 CG2 VAL B 102 -15.669 18.828 27.254 1.00 12.25 C ATOM 0 H VAL B 102 -16.484 21.038 25.624 1.00 9.23 H new ATOM 0 HA VAL B 102 -17.613 18.587 25.427 1.00 9.51 H new ATOM 0 HB VAL B 102 -17.170 20.127 27.714 1.00 11.10 H new ATOM 0 HG11 VAL B 102 -17.618 18.142 28.890 1.00 12.62 H new ATOM 0 HG12 VAL B 102 -18.881 18.572 28.038 1.00 12.62 H new ATOM 0 HG13 VAL B 102 -17.935 17.413 27.521 1.00 12.62 H new ATOM 0 HG21 VAL B 102 -15.359 18.720 28.167 1.00 12.25 H new ATOM 0 HG22 VAL B 102 -15.589 17.984 26.783 1.00 12.25 H new ATOM 0 HG23 VAL B 102 -15.129 19.499 26.807 1.00 12.25 H new ATOM 2146 N THR B 103 -20.012 19.167 25.343 1.00 8.38 N ATOM 2147 CA THR B 103 -21.380 19.630 25.192 1.00 9.10 C ATOM 2148 C THR B 103 -22.269 19.116 26.308 1.00 9.93 C ATOM 2149 O THR B 103 -21.905 18.163 27.014 1.00 11.91 O ATOM 2150 CB THR B 103 -21.954 19.256 23.802 1.00 9.70 C ATOM 2151 OG1 THR B 103 -22.091 17.834 23.685 1.00 9.42 O ATOM 2152 CG2 THR B 103 -21.061 19.860 22.657 1.00 12.24 C ATOM 0 H THR B 103 -19.872 18.364 25.069 1.00 8.38 H new ATOM 0 HA THR B 103 -21.364 20.598 25.253 1.00 9.10 H new ATOM 0 HB THR B 103 -22.839 19.641 23.710 1.00 9.70 H new ATOM 0 HG1 THR B 103 -21.363 17.465 23.883 1.00 9.42 H new ATOM 0 HG21 THR B 103 -21.433 19.618 21.794 1.00 12.24 H new ATOM 0 HG22 THR B 103 -21.039 20.826 22.739 1.00 12.24 H new ATOM 0 HG23 THR B 103 -20.160 19.509 22.730 1.00 12.24 H new ATOM 2153 N GLU B 104 -23.430 19.738 26.478 1.00 9.84 N ATOM 2154 CA GLU B 104 -24.431 19.321 27.466 1.00 11.87 C ATOM 2155 C GLU B 104 -25.764 19.239 26.715 1.00 10.89 C ATOM 2156 O GLU B 104 -26.170 20.210 26.055 1.00 10.21 O ATOM 2157 CB GLU B 104 -24.526 20.316 28.643 1.00 13.31 C ATOM 2158 CG GLU B 104 -25.743 20.049 29.521 1.00 18.15 C ATOM 2159 CD GLU B 104 -26.086 21.165 30.466 1.00 27.26 C ATOM 2160 OE1 GLU B 104 -25.317 22.127 30.525 1.00 29.05 O ATOM 2161 OE2 GLU B 104 -27.151 21.032 31.125 1.00 33.50 O ATOM 0 H GLU B 104 -23.666 20.425 26.018 1.00 9.84 H new ATOM 0 HA GLU B 104 -24.188 18.467 27.858 1.00 11.87 H new ATOM 0 HB2 GLU B 104 -23.721 20.257 29.181 1.00 13.31 H new ATOM 0 HB3 GLU B 104 -24.570 21.221 28.297 1.00 13.31 H new ATOM 0 HG2 GLU B 104 -26.508 19.877 28.950 1.00 18.15 H new ATOM 0 HG3 GLU B 104 -25.586 19.242 30.035 1.00 18.15 H new ATOM 2162 N AGLU B 105 -26.427 18.098 26.842 0.50 10.95 N ATOM 2163 N BGLU B 105 -26.444 18.088 26.808 0.50 11.66 N ATOM 2164 CA AGLU B 105 -27.718 17.918 26.253 0.50 11.35 C ATOM 2165 CA BGLU B 105 -27.755 17.878 26.177 0.50 12.84 C ATOM 2166 C AGLU B 105 -28.749 18.630 27.114 0.50 13.53 C ATOM 2167 C BGLU B 105 -28.837 18.436 27.092 0.50 14.40 C ATOM 2168 O AGLU B 105 -28.521 18.914 28.316 0.50 14.10 O ATOM 2169 O BGLU B 105 -28.759 18.382 28.324 0.50 15.52 O ATOM 2170 CB AGLU B 105 -27.991 16.422 26.002 0.50 11.14 C ATOM 2171 CB BGLU B 105 -27.995 16.384 25.808 0.50 12.98 C ATOM 2172 CG AGLU B 105 -27.160 15.868 24.799 0.50 9.92 C ATOM 2173 CG BGLU B 105 -29.119 16.048 24.745 0.50 15.38 C ATOM 2174 CD AGLU B 105 -25.811 15.365 25.201 0.50 10.54 C ATOM 2175 CD BGLU B 105 -28.748 16.202 23.229 0.50 14.18 C ATOM 2176 OE1AGLU B 105 -25.740 14.529 26.176 0.50 9.54 O ATOM 2177 OE1BGLU B 105 -29.710 16.176 22.327 0.50 7.91 O ATOM 2178 OE2AGLU B 105 -24.824 15.747 24.500 0.50 9.51 O ATOM 2179 OE2BGLU B 105 -27.536 16.447 23.009 0.50 20.06 O ATOM 0 H AGLU B 105 -26.132 17.415 27.273 0.50 11.66 H new ATOM 0 H BGLU B 105 -26.155 17.404 27.242 0.50 11.66 H new ATOM 0 HA AGLU B 105 -27.769 18.324 25.374 0.50 12.84 H new ATOM 0 HA BGLU B 105 -27.784 18.356 25.334 0.50 12.84 H new ATOM 0 HB2AGLU B 105 -27.777 15.917 26.802 0.50 12.98 H new ATOM 0 HB2BGLU B 105 -27.158 16.022 25.478 0.50 12.98 H new ATOM 0 HB3AGLU B 105 -28.936 16.291 25.828 0.50 12.98 H new ATOM 0 HB3BGLU B 105 -28.208 15.907 26.625 0.50 12.98 H new ATOM 0 HG2AGLU B 105 -27.654 15.149 24.375 0.50 15.38 H new ATOM 0 HG2BGLU B 105 -29.406 15.133 24.892 0.50 15.38 H new ATOM 0 HG3AGLU B 105 -27.054 16.568 24.136 0.50 15.38 H new ATOM 0 HG3BGLU B 105 -29.883 16.618 24.926 0.50 15.38 H new ATOM 2180 N LEU B 106 -29.823 19.019 26.435 1.00 14.61 N ATOM 2181 CA LEU B 106 -30.831 19.867 27.096 1.00 17.16 C ATOM 2182 C LEU B 106 -32.172 19.203 27.141 1.00 19.20 C ATOM 2183 O LEU B 106 -33.047 19.704 27.846 1.00 21.98 O ATOM 2184 CB LEU B 106 -30.970 21.201 26.354 1.00 17.60 C ATOM 2185 CG LEU B 106 -29.664 21.970 26.240 1.00 16.23 C ATOM 2186 CD1 LEU B 106 -29.793 23.220 25.398 1.00 17.40 C ATOM 2187 CD2 LEU B 106 -29.153 22.296 27.685 1.00 20.81 C ATOM 0 H ALEU B 106 -29.991 18.815 25.617 0.50 14.61 H new ATOM 0 H BLEU B 106 -29.937 18.940 25.586 0.50 14.61 H new ATOM 0 HA LEU B 106 -30.526 20.017 28.005 1.00 17.16 H new ATOM 0 HB2 LEU B 106 -31.317 21.033 25.464 1.00 17.60 H new ATOM 0 HB3 LEU B 106 -31.623 21.752 26.814 1.00 17.60 H new ATOM 0 HG LEU B 106 -29.016 21.416 25.778 1.00 16.23 H new ATOM 0 HD11 LEU B 106 -28.936 23.672 25.357 1.00 17.40 H new ATOM 0 HD12 LEU B 106 -30.074 22.979 24.502 1.00 17.40 H new ATOM 0 HD13 LEU B 106 -30.452 23.811 25.795 1.00 17.40 H new ATOM 0 HD21 LEU B 106 -28.319 22.788 27.630 1.00 20.81 H new ATOM 0 HD22 LEU B 106 -29.814 22.833 28.149 1.00 20.81 H new ATOM 0 HD23 LEU B 106 -29.009 21.469 28.172 1.00 20.81 H new ATOM 2188 N VAL B 107 -32.333 18.115 26.394 1.00 20.21 N ATOM 2189 CA VAL B 107 -33.585 17.356 26.274 1.00 23.05 C ATOM 2190 C VAL B 107 -33.246 15.849 26.231 1.00 24.57 C ATOM 2191 O VAL B 107 -32.043 15.437 26.201 1.00 24.95 O ATOM 2192 CB VAL B 107 -34.422 17.821 25.040 1.00 23.26 C ATOM 2193 CG1 VAL B 107 -34.833 19.285 25.154 1.00 24.97 C ATOM 2194 CG2 VAL B 107 -33.662 17.573 23.740 1.00 22.00 C ATOM 2195 OXT VAL B 107 -34.193 15.024 26.268 1.00 27.01 O ATOM 0 H VAL B 107 -31.694 17.782 25.924 1.00 20.21 H new ATOM 0 HA VAL B 107 -34.147 17.525 27.046 1.00 23.05 H new ATOM 0 HB VAL B 107 -35.234 17.290 25.026 1.00 23.26 H new ATOM 0 HG11 VAL B 107 -35.349 19.538 24.373 1.00 24.97 H new ATOM 0 HG12 VAL B 107 -35.371 19.409 25.951 1.00 24.97 H new ATOM 0 HG13 VAL B 107 -34.040 19.841 25.211 1.00 24.97 H new ATOM 0 HG21 VAL B 107 -34.200 17.869 22.989 1.00 22.00 H new ATOM 0 HG22 VAL B 107 -32.827 18.067 23.754 1.00 22.00 H new ATOM 0 HG23 VAL B 107 -33.475 16.625 23.650 1.00 22.00 H new TER 2196 VAL B 107 ATOM 2197 N GLU C -2 -22.590 7.632 -0.084 1.00 50.20 N ATOM 2198 CA GLU C -2 -23.449 8.424 -1.016 1.00 49.74 C ATOM 2199 C GLU C -2 -24.927 8.416 -0.619 1.00 48.47 C ATOM 2200 O GLU C -2 -25.345 7.586 0.203 1.00 48.70 O ATOM 2201 CB GLU C -2 -23.272 7.938 -2.462 1.00 50.50 C ATOM 2202 CG GLU C -2 -23.655 8.970 -3.514 1.00 53.14 C ATOM 2203 CD GLU C -2 -23.239 10.385 -3.135 1.00 56.94 C ATOM 2204 OE1 GLU C -2 -23.913 11.009 -2.275 1.00 58.75 O ATOM 2205 OE2 GLU C -2 -22.240 10.878 -3.704 1.00 58.48 O ATOM 0 H1 GLU C -2 -22.053 8.182 0.365 1.00 50.20 H new ATOM 0 H2 GLU C -2 -23.105 7.188 0.490 1.00 50.20 H new ATOM 0 H3 GLU C -2 -22.100 7.054 -0.551 1.00 50.20 H new ATOM 0 HA GLU C -2 -23.151 9.345 -0.953 1.00 49.74 H new ATOM 0 HB2 GLU C -2 -22.346 7.681 -2.596 1.00 50.50 H new ATOM 0 HB3 GLU C -2 -23.809 7.141 -2.594 1.00 50.50 H new ATOM 0 HG2 GLU C -2 -23.243 8.732 -4.359 1.00 53.14 H new ATOM 0 HG3 GLU C -2 -24.615 8.946 -3.650 1.00 53.14 H new ATOM 2206 N GLY C -1 -25.697 9.348 -1.206 1.00 46.84 N ATOM 2207 CA GLY C -1 -27.122 9.550 -0.909 1.00 43.90 C ATOM 2208 C GLY C -1 -27.381 9.881 0.554 1.00 41.89 C ATOM 2209 O GLY C -1 -28.420 9.504 1.114 1.00 42.24 O ATOM 0 H GLY C -1 -25.395 9.891 -1.801 1.00 46.84 H new ATOM 0 HA2 GLY C -1 -27.465 10.268 -1.464 1.00 43.90 H new ATOM 0 HA3 GLY C -1 -27.614 8.748 -1.147 1.00 43.90 H new ATOM 2210 N ARG C 0 -26.412 10.555 1.178 1.00 39.13 N ATOM 2211 CA ARG C 0 -26.431 10.778 2.625 1.00 35.56 C ATOM 2212 C ARG C 0 -27.320 11.981 2.958 1.00 31.96 C ATOM 2213 O ARG C 0 -27.692 12.763 2.077 1.00 32.08 O ATOM 2214 CB ARG C 0 -25.003 11.001 3.180 1.00 35.92 C ATOM 2215 CG ARG C 0 -24.042 9.812 3.011 1.00 38.69 C ATOM 2216 CD ARG C 0 -24.478 8.580 3.807 1.00 41.95 C ATOM 2217 NE ARG C 0 -23.919 8.611 5.153 1.00 46.18 N ATOM 2218 CZ ARG C 0 -22.634 8.395 5.432 1.00 47.13 C ATOM 2219 NH1 ARG C 0 -22.202 8.454 6.693 1.00 48.93 N ATOM 2220 NH2 ARG C 0 -21.776 8.139 4.450 1.00 48.26 N ATOM 0 H ARG C 0 -25.730 10.893 0.777 1.00 39.13 H new ATOM 0 HA ARG C 0 -26.794 9.984 3.047 1.00 35.56 H new ATOM 0 HB2 ARG C 0 -24.618 11.775 2.740 1.00 35.92 H new ATOM 0 HB3 ARG C 0 -25.068 11.214 4.124 1.00 35.92 H new ATOM 0 HG2 ARG C 0 -23.983 9.580 2.071 1.00 38.69 H new ATOM 0 HG3 ARG C 0 -23.153 10.077 3.294 1.00 38.69 H new ATOM 0 HD2 ARG C 0 -25.446 8.546 3.855 1.00 41.95 H new ATOM 0 HD3 ARG C 0 -24.188 7.775 3.350 1.00 41.95 H new ATOM 0 HE ARG C 0 -24.451 8.779 5.807 1.00 46.18 H new ATOM 0 HH11 ARG C 0 -22.753 8.632 7.329 1.00 48.93 H new ATOM 0 HH12 ARG C 0 -21.372 8.314 6.870 1.00 48.93 H new ATOM 0 HH21 ARG C 0 -22.050 8.113 3.635 1.00 48.26 H new ATOM 0 HH22 ARG C 0 -20.947 8.000 4.629 1.00 48.26 H new ATOM 2221 N MET C 1 -27.658 12.105 4.235 1.00 27.78 N ATOM 2222 CA MET C 1 -28.392 13.262 4.707 1.00 22.14 C ATOM 2223 C MET C 1 -27.498 14.496 4.562 1.00 19.60 C ATOM 2224 O MET C 1 -26.271 14.427 4.777 1.00 19.81 O ATOM 2225 CB MET C 1 -28.725 13.099 6.182 1.00 22.99 C ATOM 2226 CG MET C 1 -29.951 13.781 6.647 1.00 27.04 C ATOM 2227 SD MET C 1 -31.212 12.670 7.130 1.00 24.83 S ATOM 2228 CE MET C 1 -30.171 11.550 8.029 1.00 27.36 C ATOM 0 H MET C 1 -27.470 11.527 4.843 1.00 27.78 H new ATOM 0 HA MET C 1 -29.209 13.355 4.192 1.00 22.14 H new ATOM 0 HB2 MET C 1 -28.810 12.152 6.374 1.00 22.99 H new ATOM 0 HB3 MET C 1 -27.976 13.428 6.703 1.00 22.99 H new ATOM 0 HG2 MET C 1 -29.730 14.357 7.396 1.00 27.04 H new ATOM 0 HG3 MET C 1 -30.285 14.353 5.938 1.00 27.04 H new ATOM 0 HE1 MET C 1 -30.675 11.153 8.757 1.00 27.36 H new ATOM 0 HE2 MET C 1 -29.858 10.851 7.434 1.00 27.36 H new ATOM 0 HE3 MET C 1 -29.410 12.033 8.389 1.00 27.36 H new ATOM 2229 N ILE C 2 -28.095 15.613 4.188 1.00 13.73 N ATOM 2230 CA ILE C 2 -27.473 16.925 4.218 1.00 11.65 C ATOM 2231 C ILE C 2 -27.466 17.385 5.714 1.00 9.94 C ATOM 2232 O ILE C 2 -28.501 17.306 6.397 1.00 9.93 O ATOM 2233 CB ILE C 2 -28.302 17.929 3.441 1.00 12.39 C ATOM 2234 CG1 ILE C 2 -28.315 17.608 1.920 1.00 12.94 C ATOM 2235 CG2 ILE C 2 -27.810 19.351 3.656 1.00 13.52 C ATOM 2236 CD1 ILE C 2 -29.446 18.346 1.177 1.00 18.67 C ATOM 0 H ILE C 2 -28.905 15.630 3.898 1.00 13.73 H new ATOM 0 HA ILE C 2 -26.585 16.877 3.831 1.00 11.65 H new ATOM 0 HB ILE C 2 -29.207 17.859 3.782 1.00 12.39 H new ATOM 0 HG12 ILE C 2 -27.461 17.855 1.532 1.00 12.94 H new ATOM 0 HG13 ILE C 2 -28.418 16.652 1.794 1.00 12.94 H new ATOM 0 HG21 ILE C 2 -28.361 19.965 3.146 1.00 13.52 H new ATOM 0 HG22 ILE C 2 -27.866 19.574 4.598 1.00 13.52 H new ATOM 0 HG23 ILE C 2 -26.889 19.423 3.361 1.00 13.52 H new ATOM 0 HD11 ILE C 2 -29.417 18.118 0.235 1.00 18.67 H new ATOM 0 HD12 ILE C 2 -30.303 18.082 1.547 1.00 18.67 H new ATOM 0 HD13 ILE C 2 -29.331 19.304 1.281 1.00 18.67 H new ATOM 2237 N ARG C 3 -26.307 17.757 6.232 1.00 8.41 N ATOM 2238 CA ARG C 3 -26.178 18.239 7.633 1.00 8.88 C ATOM 2239 C ARG C 3 -25.473 19.576 7.688 1.00 8.40 C ATOM 2240 O ARG C 3 -24.456 19.818 6.958 1.00 10.80 O ATOM 2241 CB ARG C 3 -25.397 17.237 8.457 1.00 9.36 C ATOM 2242 CG ARG C 3 -26.149 15.929 8.563 1.00 9.74 C ATOM 2243 CD ARG C 3 -25.315 14.773 9.084 1.00 9.72 C ATOM 2244 NE ARG C 3 -24.907 14.987 10.464 1.00 10.80 N ATOM 2245 CZ ARG C 3 -24.096 14.127 11.116 1.00 9.83 C ATOM 2246 NH1 ARG C 3 -23.569 13.059 10.483 1.00 11.34 N ATOM 2247 NH2 ARG C 3 -23.807 14.384 12.391 1.00 10.12 N ATOM 0 H ARG C 3 -25.566 17.743 5.796 1.00 8.41 H new ATOM 0 HA ARG C 3 -27.072 18.341 7.994 1.00 8.88 H new ATOM 0 HB2 ARG C 3 -24.529 17.084 8.051 1.00 9.36 H new ATOM 0 HB3 ARG C 3 -25.237 17.596 9.344 1.00 9.36 H new ATOM 0 HG2 ARG C 3 -26.913 16.053 9.148 1.00 9.74 H new ATOM 0 HG3 ARG C 3 -26.497 15.695 7.688 1.00 9.74 H new ATOM 0 HD2 ARG C 3 -25.825 13.950 9.020 1.00 9.72 H new ATOM 0 HD3 ARG C 3 -24.529 14.663 8.527 1.00 9.72 H new ATOM 0 HE ARG C 3 -25.192 15.685 10.878 1.00 10.80 H new ATOM 0 HH11 ARG C 3 -23.748 12.919 9.654 1.00 11.34 H new ATOM 0 HH12 ARG C 3 -23.054 12.518 10.909 1.00 11.34 H new ATOM 0 HH21 ARG C 3 -24.135 15.081 12.774 1.00 10.12 H new ATOM 0 HH22 ARG C 3 -23.293 13.853 12.831 1.00 10.12 H new ATOM 2248 N ILE C 4 -25.989 20.490 8.503 1.00 7.11 N ATOM 2249 CA ILE C 4 -25.426 21.799 8.705 1.00 7.80 C ATOM 2250 C ILE C 4 -25.261 21.922 10.200 1.00 8.13 C ATOM 2251 O ILE C 4 -26.217 21.759 10.954 1.00 8.21 O ATOM 2252 CB ILE C 4 -26.272 22.935 8.140 1.00 8.29 C ATOM 2253 CG1 ILE C 4 -26.680 22.603 6.691 1.00 9.20 C ATOM 2254 CG2 ILE C 4 -25.501 24.273 8.238 1.00 10.81 C ATOM 2255 CD1 ILE C 4 -27.593 23.735 6.082 1.00 11.79 C ATOM 0 H ILE C 4 -26.701 20.351 8.965 1.00 7.11 H new ATOM 0 HA ILE C 4 -24.588 21.882 8.224 1.00 7.80 H new ATOM 0 HB ILE C 4 -27.084 23.033 8.661 1.00 8.29 H new ATOM 0 HG12 ILE C 4 -25.885 22.496 6.145 1.00 9.20 H new ATOM 0 HG13 ILE C 4 -27.153 21.757 6.671 1.00 9.20 H new ATOM 0 HG21 ILE C 4 -26.047 24.989 7.876 1.00 10.81 H new ATOM 0 HG22 ILE C 4 -25.296 24.461 9.167 1.00 10.81 H new ATOM 0 HG23 ILE C 4 -24.676 24.209 7.732 1.00 10.81 H new ATOM 0 HD11 ILE C 4 -27.835 23.502 5.172 1.00 11.79 H new ATOM 0 HD12 ILE C 4 -28.397 23.825 6.617 1.00 11.79 H new ATOM 0 HD13 ILE C 4 -27.110 24.576 6.082 1.00 11.79 H new ATOM 2256 N ALEU C 5 -24.024 22.141 10.637 0.50 6.41 N ATOM 2257 N BLEU C 5 -24.022 22.204 10.609 0.50 8.20 N ATOM 2258 CA ALEU C 5 -23.708 22.336 12.068 0.50 6.07 C ATOM 2259 CA BLEU C 5 -23.629 22.419 12.019 0.50 9.20 C ATOM 2260 C ALEU C 5 -23.426 23.817 12.343 0.50 6.16 C ATOM 2261 C BLEU C 5 -23.624 23.906 12.254 0.50 7.91 C ATOM 2262 O ALEU C 5 -22.698 24.495 11.562 0.50 6.32 O ATOM 2263 O BLEU C 5 -23.299 24.688 11.353 0.50 8.93 O ATOM 2264 CB ALEU C 5 -22.523 21.421 12.471 0.50 5.04 C ATOM 2265 CB BLEU C 5 -22.198 21.915 12.224 0.50 9.83 C ATOM 2266 CG ALEU C 5 -22.129 21.615 13.949 0.50 4.84 C ATOM 2267 CG BLEU C 5 -21.715 21.021 13.362 0.50 16.41 C ATOM 2268 CD1ALEU C 5 -21.882 20.222 14.586 0.50 8.66 C ATOM 2269 CD1BLEU C 5 -20.376 21.545 13.895 0.50 15.80 C ATOM 2270 CD2ALEU C 5 -21.098 22.568 14.222 0.50 6.48 C ATOM 2271 CD2BLEU C 5 -22.705 20.758 14.482 0.50 12.62 C ATOM 0 H ALEU C 5 -23.339 22.182 10.119 0.50 8.20 H new ATOM 0 H BLEU C 5 -23.363 22.279 10.062 0.50 8.20 H new ATOM 0 HA ALEU C 5 -24.468 22.083 12.615 0.50 9.20 H new ATOM 0 HA BLEU C 5 -24.236 21.956 12.617 0.50 9.20 H new ATOM 0 HB2ALEU C 5 -22.764 20.494 12.319 0.50 9.83 H new ATOM 0 HB2BLEU C 5 -21.966 21.447 11.407 0.50 9.83 H new ATOM 0 HB3ALEU C 5 -21.759 21.612 11.905 0.50 9.83 H new ATOM 0 HB3BLEU C 5 -21.644 22.710 12.262 0.50 9.83 H new ATOM 0 HG ALEU C 5 -22.883 22.047 14.380 0.50 16.41 H new ATOM 0 HG BLEU C 5 -21.604 20.142 12.966 0.50 16.41 H new ATOM 0 HD11ALEU C 5 -21.633 20.331 15.517 0.50 15.80 H new ATOM 0 HD11BLEU C 5 -20.070 20.976 14.618 0.50 15.80 H new ATOM 0 HD12ALEU C 5 -22.692 19.691 14.528 0.50 15.80 H new ATOM 0 HD12BLEU C 5 -19.719 21.541 13.181 0.50 15.80 H new ATOM 0 HD13ALEU C 5 -21.166 19.771 14.111 0.50 15.80 H new ATOM 0 HD13BLEU C 5 -20.490 22.451 14.223 0.50 15.80 H new ATOM 0 HD21ALEU C 5 -20.936 22.605 15.178 0.50 12.62 H new ATOM 0 HD21BLEU C 5 -22.296 20.182 15.147 0.50 12.62 H new ATOM 0 HD22ALEU C 5 -20.284 22.303 13.766 0.50 12.62 H new ATOM 0 HD22BLEU C 5 -22.958 21.599 14.894 0.50 12.62 H new ATOM 0 HD23ALEU C 5 -21.374 23.443 13.907 0.50 12.62 H new ATOM 0 HD23BLEU C 5 -23.494 20.325 14.121 0.50 12.62 H new ATOM 2272 N TYR C 6 -23.951 24.313 13.472 1.00 7.44 N ATOM 2273 CA TYR C 6 -23.916 25.736 13.797 1.00 7.07 C ATOM 2274 C TYR C 6 -23.237 26.015 15.128 1.00 7.81 C ATOM 2275 O TYR C 6 -23.564 25.345 16.106 1.00 9.69 O ATOM 2276 CB TYR C 6 -25.348 26.311 13.918 1.00 8.99 C ATOM 2277 CG TYR C 6 -26.163 26.225 12.613 1.00 10.06 C ATOM 2278 CD1 TYR C 6 -26.157 27.294 11.703 1.00 11.53 C ATOM 2279 CD2 TYR C 6 -26.829 25.085 12.280 1.00 10.30 C ATOM 2280 CE1 TYR C 6 -26.898 27.175 10.528 1.00 12.57 C ATOM 2281 CE2 TYR C 6 -27.562 24.961 11.077 1.00 13.96 C ATOM 2282 CZ TYR C 6 -27.578 26.028 10.292 1.00 12.20 C ATOM 2283 OH TYR C 6 -28.258 25.950 9.091 1.00 17.09 O ATOM 0 H ATYR C 6 -24.337 23.828 14.068 0.50 7.44 H new ATOM 0 H BTYR C 6 -24.192 23.795 14.115 0.50 7.44 H new ATOM 0 HA TYR C 6 -23.419 26.151 13.074 1.00 7.07 H new ATOM 0 HB2 TYR C 6 -25.821 25.834 14.617 1.00 8.99 H new ATOM 0 HB3 TYR C 6 -25.293 27.239 14.195 1.00 8.99 H new ATOM 0 HD1 TYR C 6 -25.669 28.066 11.880 1.00 11.53 H new ATOM 0 HD2 TYR C 6 -26.801 24.362 12.865 1.00 10.30 H new ATOM 0 HE1 TYR C 6 -26.925 27.874 9.915 1.00 12.57 H new ATOM 0 HE2 TYR C 6 -28.007 24.176 10.850 1.00 13.96 H new ATOM 0 HH TYR C 6 -28.049 26.604 8.607 1.00 17.09 H new ATOM 2284 N LEU C 7 -22.357 27.021 15.167 1.00 8.20 N ATOM 2285 CA LEU C 7 -21.910 27.570 16.440 1.00 8.22 C ATOM 2286 C LEU C 7 -22.770 28.768 16.771 1.00 8.11 C ATOM 2287 O LEU C 7 -22.934 29.665 15.917 1.00 8.98 O ATOM 2288 CB LEU C 7 -20.426 28.010 16.328 1.00 8.20 C ATOM 2289 CG LEU C 7 -19.476 27.011 15.693 1.00 10.28 C ATOM 2290 CD1 LEU C 7 -18.064 27.581 15.654 1.00 12.68 C ATOM 2291 CD2 LEU C 7 -19.509 25.708 16.477 1.00 12.28 C ATOM 0 H LEU C 7 -22.013 27.393 14.472 1.00 8.20 H new ATOM 0 HA LEU C 7 -21.987 26.900 17.137 1.00 8.22 H new ATOM 0 HB2 LEU C 7 -20.390 28.833 15.816 1.00 8.20 H new ATOM 0 HB3 LEU C 7 -20.101 28.216 17.219 1.00 8.20 H new ATOM 0 HG LEU C 7 -19.756 26.835 14.781 1.00 10.28 H new ATOM 0 HD11 LEU C 7 -17.465 26.935 15.247 1.00 12.68 H new ATOM 0 HD12 LEU C 7 -18.059 28.399 15.133 1.00 12.68 H new ATOM 0 HD13 LEU C 7 -17.767 27.772 16.557 1.00 12.68 H new ATOM 0 HD21 LEU C 7 -18.902 25.070 16.071 1.00 12.28 H new ATOM 0 HD22 LEU C 7 -19.237 25.874 17.393 1.00 12.28 H new ATOM 0 HD23 LEU C 7 -20.409 25.347 16.468 1.00 12.28 H new ATOM 2292 N ALEU C 8 -23.319 28.787 17.994 0.50 8.19 N ATOM 2293 N BLEU C 8 -23.345 28.787 17.973 0.50 8.67 N ATOM 2294 CA ALEU C 8 -24.276 29.824 18.472 0.50 7.96 C ATOM 2295 CA BLEU C 8 -24.203 29.900 18.410 0.50 8.97 C ATOM 2296 C ALEU C 8 -23.659 30.634 19.611 0.50 8.44 C ATOM 2297 C BLEU C 8 -23.519 30.654 19.536 0.50 9.19 C ATOM 2298 O ALEU C 8 -23.198 30.043 20.601 0.50 7.55 O ATOM 2299 O BLEU C 8 -22.909 30.079 20.435 0.50 8.52 O ATOM 2300 CB ALEU C 8 -25.538 29.176 19.053 0.50 8.53 C ATOM 2301 CB BLEU C 8 -25.541 29.411 18.963 0.50 9.20 C ATOM 2302 CG ALEU C 8 -26.525 28.493 18.117 0.50 7.80 C ATOM 2303 CG BLEU C 8 -26.700 29.078 18.026 0.50 13.00 C ATOM 2304 CD1ALEU C 8 -25.907 27.398 17.418 0.50 7.97 C ATOM 2305 CD1BLEU C 8 -26.272 28.035 17.028 0.50 13.67 C ATOM 2306 CD2ALEU C 8 -27.776 27.993 18.756 0.50 10.17 C ATOM 2307 CD2BLEU C 8 -27.878 28.646 18.867 0.50 9.93 C ATOM 0 H ALEU C 8 -23.147 28.188 18.587 0.50 8.67 H new ATOM 0 H BLEU C 8 -23.252 28.162 18.557 0.50 8.67 H new ATOM 0 HA ALEU C 8 -24.488 30.383 17.708 0.50 8.97 H new ATOM 0 HA BLEU C 8 -24.355 30.459 17.632 0.50 8.97 H new ATOM 0 HB2ALEU C 8 -25.253 28.518 19.706 0.50 9.20 H new ATOM 0 HB2BLEU C 8 -25.359 28.614 19.486 0.50 9.20 H new ATOM 0 HB3ALEU C 8 -26.023 29.864 19.536 0.50 9.20 H new ATOM 0 HB3BLEU C 8 -25.859 30.089 19.580 0.50 9.20 H new ATOM 0 HG ALEU C 8 -26.786 29.201 17.508 0.50 13.00 H new ATOM 0 HG BLEU C 8 -26.968 29.853 17.509 0.50 13.00 H new ATOM 0 HD11ALEU C 8 -26.556 26.982 16.830 0.50 13.67 H new ATOM 0 HD11BLEU C 8 -27.013 27.829 16.437 0.50 13.67 H new ATOM 0 HD12ALEU C 8 -25.161 27.729 16.893 0.50 13.67 H new ATOM 0 HD12BLEU C 8 -25.527 28.372 16.506 0.50 13.67 H new ATOM 0 HD13ALEU C 8 -25.586 26.745 18.059 0.50 13.67 H new ATOM 0 HD13BLEU C 8 -26.000 27.231 17.497 0.50 13.67 H new ATOM 0 HD21ALEU C 8 -28.338 27.576 18.084 0.50 9.93 H new ATOM 0 HD21BLEU C 8 -28.626 28.430 18.289 0.50 9.93 H new ATOM 0 HD22ALEU C 8 -27.553 27.342 19.439 0.50 9.93 H new ATOM 0 HD22BLEU C 8 -27.635 27.864 19.387 0.50 9.93 H new ATOM 0 HD23ALEU C 8 -28.252 28.735 19.160 0.50 9.93 H new ATOM 0 HD23BLEU C 8 -28.130 29.366 19.466 0.50 9.93 H new ATOM 2308 N VAL C 9 -23.631 31.959 19.457 1.00 9.16 N ATOM 2309 CA VAL C 9 -23.215 32.845 20.570 1.00 10.07 C ATOM 2310 C VAL C 9 -24.455 33.616 20.981 1.00 10.04 C ATOM 2311 O VAL C 9 -25.194 34.158 20.119 1.00 9.66 O ATOM 2312 CB VAL C 9 -22.138 33.836 20.070 1.00 11.64 C ATOM 2313 CG1 VAL C 9 -21.681 34.768 21.181 1.00 15.19 C ATOM 2314 CG2 VAL C 9 -20.930 33.062 19.523 1.00 13.54 C ATOM 0 H AVAL C 9 -23.844 32.368 18.731 0.50 9.16 H new ATOM 0 H BVAL C 9 -23.945 32.373 18.772 0.50 9.16 H new ATOM 0 HA VAL C 9 -22.845 32.338 21.309 1.00 10.07 H new ATOM 0 HB VAL C 9 -22.533 34.373 19.365 1.00 11.64 H new ATOM 0 HG11 VAL C 9 -21.008 35.376 20.837 1.00 15.19 H new ATOM 0 HG12 VAL C 9 -22.439 35.277 21.508 1.00 15.19 H new ATOM 0 HG13 VAL C 9 -21.305 34.246 21.907 1.00 15.19 H new ATOM 0 HG21 VAL C 9 -20.258 33.688 19.211 1.00 13.54 H new ATOM 0 HG22 VAL C 9 -20.554 32.509 20.226 1.00 13.54 H new ATOM 0 HG23 VAL C 9 -21.213 32.499 18.786 1.00 13.54 H new ATOM 2315 N LYS C 10 -24.770 33.634 22.270 1.00 9.39 N ATOM 2316 CA LYS C 10 -25.974 34.309 22.739 1.00 10.76 C ATOM 2317 C LYS C 10 -25.846 35.828 22.590 1.00 10.72 C ATOM 2318 O LYS C 10 -24.729 36.379 22.511 1.00 11.71 O ATOM 2319 CB LYS C 10 -26.222 33.936 24.221 1.00 12.43 C ATOM 2320 CG LYS C 10 -25.282 34.617 25.215 1.00 13.83 C ATOM 2321 CD LYS C 10 -25.657 34.318 26.639 1.00 13.34 C ATOM 2322 CE LYS C 10 -24.756 35.026 27.641 1.00 15.98 C ATOM 2323 NZ LYS C 10 -24.865 36.511 27.500 1.00 14.37 N ATOM 0 H LYS C 10 -24.302 33.263 22.888 1.00 9.39 H new ATOM 0 HA LYS C 10 -26.726 34.020 22.199 1.00 10.76 H new ATOM 0 HB2 LYS C 10 -27.136 34.164 24.451 1.00 12.43 H new ATOM 0 HB3 LYS C 10 -26.136 32.975 24.319 1.00 12.43 H new ATOM 0 HG2 LYS C 10 -24.372 34.323 25.052 1.00 13.83 H new ATOM 0 HG3 LYS C 10 -25.300 35.576 25.071 1.00 13.83 H new ATOM 0 HD2 LYS C 10 -26.577 34.585 26.791 1.00 13.34 H new ATOM 0 HD3 LYS C 10 -25.611 33.361 26.788 1.00 13.34 H new ATOM 0 HE2 LYS C 10 -25.000 34.764 28.543 1.00 15.98 H new ATOM 0 HE3 LYS C 10 -23.836 34.751 27.505 1.00 15.98 H new ATOM 0 HZ1 LYS C 10 -24.593 36.902 28.252 1.00 14.37 H new ATOM 0 HZ2 LYS C 10 -24.355 36.783 26.823 1.00 14.37 H new ATOM 0 HZ3 LYS C 10 -25.712 36.733 27.340 1.00 14.37 H new ATOM 2324 N PRO C 11 -26.977 36.511 22.627 1.00 11.66 N ATOM 2325 CA PRO C 11 -26.891 37.986 22.651 1.00 12.53 C ATOM 2326 C PRO C 11 -26.304 38.444 23.984 1.00 13.47 C ATOM 2327 O PRO C 11 -26.551 37.855 25.044 1.00 13.98 O ATOM 2328 CB PRO C 11 -28.360 38.414 22.564 1.00 12.52 C ATOM 2329 CG PRO C 11 -29.083 37.150 22.020 1.00 13.37 C ATOM 2330 CD PRO C 11 -28.368 36.047 22.678 1.00 12.68 C ATOM 0 HA PRO C 11 -26.335 38.355 21.947 1.00 12.53 H new ATOM 0 HB2 PRO C 11 -28.706 38.677 23.431 1.00 12.52 H new ATOM 0 HB3 PRO C 11 -28.475 39.173 21.971 1.00 12.52 H new ATOM 0 HG2 PRO C 11 -30.026 37.151 22.246 1.00 13.37 H new ATOM 0 HG3 PRO C 11 -29.023 37.090 21.054 1.00 13.37 H new ATOM 0 HD2 PRO C 11 -28.672 35.910 23.589 1.00 12.68 H new ATOM 0 HD3 PRO C 11 -28.488 35.206 22.209 1.00 12.68 H new ATOM 2331 N GLU C 12 -25.549 39.529 23.896 1.00 14.03 N ATOM 2332 CA GLU C 12 -24.908 40.015 25.133 1.00 16.36 C ATOM 2333 C GLU C 12 -25.956 40.374 26.203 1.00 15.99 C ATOM 2334 O GLU C 12 -25.705 40.188 27.421 1.00 18.52 O ATOM 2335 CB GLU C 12 -23.930 41.154 24.795 1.00 17.71 C ATOM 2336 CG GLU C 12 -24.508 42.446 24.229 1.00 22.94 C ATOM 2337 CD GLU C 12 -25.079 43.401 25.315 1.00 27.01 C ATOM 2338 OE1 GLU C 12 -24.828 43.220 26.538 1.00 27.43 O ATOM 2339 OE2 GLU C 12 -25.810 44.339 24.939 1.00 28.88 O ATOM 0 H GLU C 12 -25.394 39.982 23.182 1.00 14.03 H new ATOM 0 HA GLU C 12 -24.380 39.306 25.533 1.00 16.36 H new ATOM 0 HB2 GLU C 12 -23.441 41.376 25.603 1.00 17.71 H new ATOM 0 HB3 GLU C 12 -23.284 40.812 24.157 1.00 17.71 H new ATOM 0 HG2 GLU C 12 -23.816 42.910 23.732 1.00 22.94 H new ATOM 0 HG3 GLU C 12 -25.212 42.228 23.599 1.00 22.94 H new ATOM 2340 N SER C 13 -27.139 40.817 25.794 1.00 15.88 N ATOM 2341 CA SER C 13 -28.174 41.250 26.698 1.00 16.29 C ATOM 2342 C SER C 13 -28.984 40.116 27.336 1.00 17.07 C ATOM 2343 O SER C 13 -29.793 40.322 28.235 1.00 20.26 O ATOM 2344 CB SER C 13 -29.125 42.194 25.943 1.00 18.01 C ATOM 2345 OG SER C 13 -29.639 41.508 24.799 1.00 24.25 O ATOM 0 H SER C 13 -27.359 40.872 24.965 1.00 15.88 H new ATOM 0 HA SER C 13 -27.725 41.697 27.433 1.00 16.29 H new ATOM 0 HB2 SER C 13 -29.851 42.473 26.522 1.00 18.01 H new ATOM 0 HB3 SER C 13 -28.655 42.997 25.670 1.00 18.01 H new ATOM 0 HG SER C 13 -29.381 41.896 24.100 1.00 24.25 H new ATOM 2346 N MET C 14 -28.752 38.885 26.875 1.00 14.23 N ATOM 2347 CA MET C 14 -29.494 37.789 27.396 1.00 13.44 C ATOM 2348 C MET C 14 -28.621 36.978 28.392 1.00 12.44 C ATOM 2349 O MET C 14 -27.492 36.696 28.110 1.00 13.93 O ATOM 2350 CB MET C 14 -29.937 36.884 26.222 1.00 12.69 C ATOM 2351 CG MET C 14 -30.743 35.686 26.629 1.00 11.29 C ATOM 2352 SD MET C 14 -31.408 34.771 25.223 1.00 12.88 S ATOM 2353 CE MET C 14 -32.670 35.931 24.676 1.00 15.12 C ATOM 0 H MET C 14 -28.174 38.685 26.270 1.00 14.23 H new ATOM 0 HA MET C 14 -30.274 38.118 27.869 1.00 13.44 H new ATOM 0 HB2 MET C 14 -30.459 37.414 25.599 1.00 12.69 H new ATOM 0 HB3 MET C 14 -29.148 36.582 25.746 1.00 12.69 H new ATOM 0 HG2 MET C 14 -30.187 35.094 27.160 1.00 11.29 H new ATOM 0 HG3 MET C 14 -31.475 35.973 27.197 1.00 11.29 H new ATOM 0 HE1 MET C 14 -33.324 35.465 24.131 1.00 15.12 H new ATOM 0 HE2 MET C 14 -33.111 36.318 25.449 1.00 15.12 H new ATOM 0 HE3 MET C 14 -32.257 36.636 24.153 1.00 15.12 H new ATOM 2354 N SER C 15 -29.218 36.609 29.510 1.00 12.53 N ATOM 2355 CA SER C 15 -28.426 35.878 30.506 1.00 13.58 C ATOM 2356 C SER C 15 -28.175 34.448 30.015 1.00 12.41 C ATOM 2357 O SER C 15 -28.888 33.918 29.121 1.00 12.86 O ATOM 2358 CB SER C 15 -29.196 35.808 31.805 1.00 12.94 C ATOM 2359 OG SER C 15 -30.324 34.974 31.732 1.00 14.87 O ATOM 0 H SER C 15 -30.040 36.758 29.715 1.00 12.53 H new ATOM 0 HA SER C 15 -27.582 36.337 30.639 1.00 13.58 H new ATOM 0 HB2 SER C 15 -28.608 35.487 32.507 1.00 12.94 H new ATOM 0 HB3 SER C 15 -29.477 36.702 32.057 1.00 12.94 H new ATOM 0 HG SER C 15 -30.716 34.967 32.475 1.00 14.87 H new ATOM 2360 N HIS C 16 -27.174 33.800 30.544 1.00 10.95 N ATOM 2361 CA HIS C 16 -26.935 32.419 30.215 1.00 11.81 C ATOM 2362 C HIS C 16 -28.142 31.574 30.523 1.00 12.72 C ATOM 2363 O HIS C 16 -28.483 30.673 29.699 1.00 12.22 O ATOM 2364 CB HIS C 16 -25.710 31.927 30.980 1.00 13.79 C ATOM 2365 CG HIS C 16 -24.415 32.260 30.281 1.00 16.72 C ATOM 2366 ND1 HIS C 16 -23.515 33.238 30.687 1.00 22.28 N ATOM 2367 CD2 HIS C 16 -23.917 31.757 29.126 1.00 17.27 C ATOM 2368 CE1 HIS C 16 -22.521 33.300 29.811 1.00 18.39 C ATOM 2369 NE2 HIS C 16 -22.742 32.404 28.856 1.00 24.97 N ATOM 0 H HIS C 16 -26.614 34.141 31.101 1.00 10.95 H new ATOM 0 HA HIS C 16 -26.767 32.342 29.263 1.00 11.81 H new ATOM 0 HB2 HIS C 16 -25.706 32.322 31.866 1.00 13.79 H new ATOM 0 HB3 HIS C 16 -25.772 30.966 31.098 1.00 13.79 H new ATOM 0 HD2 HIS C 16 -24.305 31.089 28.608 1.00 17.27 H new ATOM 0 HE1 HIS C 16 -21.791 33.875 29.858 1.00 18.39 H new ATOM 0 HE2 HIS C 16 -22.231 32.255 28.180 1.00 24.97 H new ATOM 2370 N GLU C 17 -28.821 31.758 31.663 1.00 11.93 N ATOM 2371 CA GLU C 17 -29.967 30.936 31.949 1.00 13.58 C ATOM 2372 C GLU C 17 -31.111 31.158 30.945 1.00 13.56 C ATOM 2373 O GLU C 17 -31.793 30.189 30.547 1.00 13.40 O ATOM 2374 CB GLU C 17 -30.456 31.191 33.391 1.00 15.83 C ATOM 2375 CG GLU C 17 -31.727 30.442 33.794 1.00 21.67 C ATOM 2376 CD GLU C 17 -31.643 28.904 33.674 1.00 30.76 C ATOM 2377 OE1 GLU C 17 -30.526 28.314 33.573 1.00 32.49 O ATOM 2378 OE2 GLU C 17 -32.738 28.283 33.675 1.00 34.38 O ATOM 0 H GLU C 17 -28.629 32.344 32.263 1.00 11.93 H new ATOM 0 HA GLU C 17 -29.690 30.011 31.862 1.00 13.58 H new ATOM 0 HB2 GLU C 17 -29.746 30.947 34.005 1.00 15.83 H new ATOM 0 HB3 GLU C 17 -30.611 32.142 33.501 1.00 15.83 H new ATOM 0 HG2 GLU C 17 -31.944 30.670 34.712 1.00 21.67 H new ATOM 0 HG3 GLU C 17 -32.460 30.757 33.243 1.00 21.67 H new ATOM 2379 N GLN C 18 -31.361 32.413 30.588 1.00 12.04 N ATOM 2380 CA GLN C 18 -32.435 32.687 29.599 1.00 13.31 C ATOM 2381 C GLN C 18 -32.073 32.030 28.281 1.00 11.22 C ATOM 2382 O GLN C 18 -32.954 31.434 27.622 1.00 10.99 O ATOM 2383 CB GLN C 18 -32.627 34.166 29.389 1.00 12.94 C ATOM 2384 CG GLN C 18 -33.929 34.439 28.611 1.00 16.37 C ATOM 2385 CD GLN C 18 -35.149 33.949 29.357 1.00 23.84 C ATOM 2386 OE1 GLN C 18 -35.331 34.222 30.556 1.00 27.49 O ATOM 2387 NE2 GLN C 18 -35.980 33.199 28.674 1.00 23.22 N ATOM 0 H GLN C 18 -30.946 33.105 30.886 1.00 12.04 H new ATOM 0 HA GLN C 18 -33.267 32.324 29.941 1.00 13.31 H new ATOM 0 HB2 GLN C 18 -32.656 34.618 30.247 1.00 12.94 H new ATOM 0 HB3 GLN C 18 -31.871 34.529 28.902 1.00 12.94 H new ATOM 0 HG2 GLN C 18 -34.013 35.391 28.446 1.00 16.37 H new ATOM 0 HG3 GLN C 18 -33.884 34.004 27.745 1.00 16.37 H new ATOM 0 HE21 GLN C 18 -35.824 33.029 27.845 1.00 23.22 H new ATOM 0 HE22 GLN C 18 -36.681 32.877 29.055 1.00 23.22 H new ATOM 2388 N PHE C 19 -30.798 32.076 27.934 1.00 10.06 N ATOM 2389 CA PHE C 19 -30.351 31.490 26.647 1.00 9.91 C ATOM 2390 C PHE C 19 -30.600 30.006 26.659 1.00 11.09 C ATOM 2391 O PHE C 19 -31.078 29.455 25.649 1.00 10.27 O ATOM 2392 CB PHE C 19 -28.888 31.813 26.411 1.00 9.57 C ATOM 2393 CG PHE C 19 -28.317 31.173 25.175 1.00 8.71 C ATOM 2394 CD1 PHE C 19 -28.604 31.660 23.908 1.00 10.64 C ATOM 2395 CD2 PHE C 19 -27.475 30.073 25.309 1.00 9.95 C ATOM 2396 CE1 PHE C 19 -28.065 31.029 22.759 1.00 9.38 C ATOM 2397 CE2 PHE C 19 -26.906 29.445 24.184 1.00 9.48 C ATOM 2398 CZ PHE C 19 -27.205 29.935 22.916 1.00 10.23 C ATOM 0 H PHE C 19 -30.175 32.431 28.408 1.00 10.06 H new ATOM 0 HA PHE C 19 -30.857 31.875 25.914 1.00 9.91 H new ATOM 0 HB2 PHE C 19 -28.785 32.775 26.344 1.00 9.57 H new ATOM 0 HB3 PHE C 19 -28.373 31.525 27.181 1.00 9.57 H new ATOM 0 HD1 PHE C 19 -29.153 32.405 23.812 1.00 10.64 H new ATOM 0 HD2 PHE C 19 -27.284 29.746 26.158 1.00 9.95 H new ATOM 0 HE1 PHE C 19 -28.280 31.339 21.909 1.00 9.38 H new ATOM 0 HE2 PHE C 19 -26.340 28.715 24.287 1.00 9.48 H new ATOM 0 HZ PHE C 19 -26.830 29.532 22.166 1.00 10.23 H new ATOM 2399 N AARG C 20 -30.263 29.339 27.746 0.50 10.21 N ATOM 2400 N BARG C 20 -30.326 29.297 27.750 0.50 9.41 N ATOM 2401 CA AARG C 20 -30.575 27.943 27.922 0.50 10.80 C ATOM 2402 CA BARG C 20 -30.617 27.860 27.833 0.50 9.69 C ATOM 2403 C AARG C 20 -32.032 27.695 27.647 0.50 10.96 C ATOM 2404 C BARG C 20 -32.105 27.588 27.685 0.50 10.75 C ATOM 2405 O AARG C 20 -32.378 26.869 26.813 0.50 10.83 O ATOM 2406 O BARG C 20 -32.542 26.632 26.997 0.50 9.85 O ATOM 2407 CB AARG C 20 -30.238 27.508 29.372 0.50 11.65 C ATOM 2408 CB BARG C 20 -30.073 27.241 29.168 0.50 9.77 C ATOM 2409 CG AARG C 20 -30.367 26.030 29.648 0.50 16.15 C ATOM 2410 CG BARG C 20 -30.457 25.788 29.392 0.50 13.82 C ATOM 2411 CD AARG C 20 -30.437 25.730 31.157 0.50 19.57 C ATOM 2412 CD BARG C 20 -30.182 25.353 30.804 0.50 15.83 C ATOM 2413 NE AARG C 20 -31.801 25.893 31.646 0.50 25.85 N ATOM 2414 NE BARG C 20 -30.442 23.934 30.889 0.50 21.03 N ATOM 2415 CZ AARG C 20 -32.828 25.135 31.269 0.50 27.66 C ATOM 2416 CZ BARG C 20 -29.514 23.040 31.166 0.50 18.85 C ATOM 2417 NH1AARG C 20 -32.649 24.146 30.411 0.50 30.45 N ATOM 2418 NH1BARG C 20 -28.290 23.438 31.457 0.50 20.23 N ATOM 2419 NH2AARG C 20 -34.034 25.359 31.757 0.50 30.49 N ATOM 2420 NH2BARG C 20 -29.839 21.758 31.221 0.50 21.94 N ATOM 0 H AARG C 20 -29.842 29.691 28.408 0.50 9.41 H new ATOM 0 H BARG C 20 -29.969 29.628 28.459 0.50 9.41 H new ATOM 0 HA AARG C 20 -30.044 27.424 27.297 0.50 9.69 H new ATOM 0 HA BARG C 20 -30.157 27.431 27.095 0.50 9.69 H new ATOM 0 HB2AARG C 20 -29.329 27.782 29.573 0.50 9.77 H new ATOM 0 HB2BARG C 20 -29.106 27.312 29.174 0.50 9.77 H new ATOM 0 HB3AARG C 20 -30.820 27.988 29.982 0.50 9.77 H new ATOM 0 HB3BARG C 20 -30.401 27.769 29.913 0.50 9.77 H new ATOM 0 HG2AARG C 20 -31.164 25.689 29.214 0.50 13.82 H new ATOM 0 HG2BARG C 20 -31.399 25.667 29.193 0.50 13.82 H new ATOM 0 HG3AARG C 20 -29.611 25.562 29.261 0.50 13.82 H new ATOM 0 HG3BARG C 20 -29.963 25.224 28.777 0.50 13.82 H new ATOM 0 HD2AARG C 20 -30.132 24.825 31.327 0.50 15.83 H new ATOM 0 HD2BARG C 20 -29.262 25.545 31.046 0.50 15.83 H new ATOM 0 HD3AARG C 20 -29.841 26.325 31.639 0.50 15.83 H new ATOM 0 HD3BARG C 20 -30.746 25.840 31.425 0.50 15.83 H new ATOM 0 HE AARG C 20 -31.952 26.520 32.215 0.50 21.03 H new ATOM 0 HE BARG C 20 -31.245 23.658 30.752 0.50 21.03 H new ATOM 0 HH11AARG C 20 -31.866 23.989 30.093 0.50 20.23 H new ATOM 0 HH11BARG C 20 -28.101 24.277 31.465 0.50 20.23 H new ATOM 0 HH12AARG C 20 -33.316 23.659 30.171 0.50 20.23 H new ATOM 0 HH12BARG C 20 -27.681 22.858 31.638 0.50 20.23 H new ATOM 0 HH21AARG C 20 -34.158 25.997 32.321 0.50 21.94 H new ATOM 0 HH21BARG C 20 -30.651 21.514 31.076 0.50 21.94 H new ATOM 0 HH22AARG C 20 -34.695 24.867 31.511 0.50 21.94 H new ATOM 0 HH22BARG C 20 -29.238 21.169 31.401 0.50 21.94 H new ATOM 2421 N LYS C 21 -32.926 28.403 28.327 1.00 11.20 N ATOM 2422 CA ALYS C 21 -34.344 28.143 28.151 0.50 11.14 C ATOM 2423 CA BLYS C 21 -34.364 28.251 28.190 0.50 11.65 C ATOM 2424 C LYS C 21 -34.789 28.424 26.713 1.00 10.59 C ATOM 2425 O LYS C 21 -35.647 27.668 26.213 1.00 11.22 O ATOM 2426 CB ALYS C 21 -35.177 28.981 29.099 0.50 11.43 C ATOM 2427 CB BLYS C 21 -35.072 29.298 29.043 0.50 12.13 C ATOM 2428 CG ALYS C 21 -35.045 28.578 30.551 0.50 12.05 C ATOM 2429 CG BLYS C 21 -34.878 29.133 30.570 0.50 14.65 C ATOM 2430 CD ALYS C 21 -35.888 29.578 31.349 0.50 17.72 C ATOM 2431 CD BLYS C 21 -35.597 30.292 31.322 0.50 17.52 C ATOM 2432 CE ALYS C 21 -35.310 29.853 32.731 0.50 18.41 C ATOM 2433 CE BLYS C 21 -36.482 29.799 32.484 0.50 22.11 C ATOM 2434 NZ ALYS C 21 -35.972 31.014 33.372 0.50 22.15 N ATOM 2435 NZ BLYS C 21 -35.825 28.733 33.308 0.50 23.43 N ATOM 0 H ALYS C 21 -32.735 29.028 28.886 0.50 11.20 H new ATOM 0 H BLYS C 21 -32.675 29.044 28.842 0.50 11.20 H new ATOM 0 HA ALYS C 21 -34.483 27.204 28.348 0.50 11.65 H new ATOM 0 HA BLYS C 21 -34.611 27.361 28.487 0.50 11.65 H new ATOM 0 HB2ALYS C 21 -34.919 29.911 29.006 0.50 12.13 H new ATOM 0 HB2BLYS C 21 -34.755 30.177 28.783 0.50 12.13 H new ATOM 0 HB3ALYS C 21 -36.109 28.918 28.838 0.50 12.13 H new ATOM 0 HB3BLYS C 21 -36.021 29.269 28.846 0.50 12.13 H new ATOM 0 HG2ALYS C 21 -35.360 27.671 30.689 0.50 14.65 H new ATOM 0 HG2BLYS C 21 -35.235 28.279 30.859 0.50 14.65 H new ATOM 0 HG3ALYS C 21 -34.118 28.602 30.835 0.50 14.65 H new ATOM 0 HG3BLYS C 21 -33.932 29.134 30.786 0.50 14.65 H new ATOM 0 HD2ALYS C 21 -35.950 30.411 30.856 0.50 17.52 H new ATOM 0 HD2BLYS C 21 -34.932 30.908 31.667 0.50 17.52 H new ATOM 0 HD3ALYS C 21 -36.791 29.235 31.441 0.50 17.52 H new ATOM 0 HD3BLYS C 21 -36.144 30.788 30.693 0.50 17.52 H new ATOM 0 HE2ALYS C 21 -35.417 29.068 33.290 0.50 22.11 H new ATOM 0 HE2BLYS C 21 -36.706 30.550 33.055 0.50 22.11 H new ATOM 0 HE3ALYS C 21 -34.358 30.021 32.658 0.50 22.11 H new ATOM 0 HE3BLYS C 21 -37.316 29.456 32.126 0.50 22.11 H new ATOM 0 HZ1ALYS C 21 -36.058 30.863 34.245 0.50 23.43 H new ATOM 0 HZ1BLYS C 21 -36.085 28.810 34.156 0.50 23.43 H new ATOM 0 HZ2ALYS C 21 -35.479 31.744 33.245 0.50 23.43 H new ATOM 0 HZ2BLYS C 21 -36.058 27.932 32.998 0.50 23.43 H new ATOM 0 HZ3ALYS C 21 -36.777 31.133 33.012 0.50 23.43 H new ATOM 0 HZ3BLYS C 21 -34.941 28.823 33.260 0.50 23.43 H new ATOM 2436 N GLU C 22 -34.207 29.426 26.056 1.00 9.54 N ATOM 2437 CA GLU C 22 -34.587 29.667 24.633 1.00 9.55 C ATOM 2438 C GLU C 22 -34.057 28.595 23.712 1.00 10.55 C ATOM 2439 O GLU C 22 -34.724 28.308 22.698 1.00 10.09 O ATOM 2440 CB GLU C 22 -34.144 31.004 24.175 1.00 9.33 C ATOM 2441 CG GLU C 22 -34.769 32.173 24.979 1.00 12.57 C ATOM 2442 CD GLU C 22 -36.277 32.134 25.026 1.00 17.38 C ATOM 2443 OE1 GLU C 22 -36.927 31.817 24.036 1.00 15.89 O ATOM 2444 OE2 GLU C 22 -36.931 32.454 26.065 1.00 20.54 O ATOM 0 H GLU C 22 -33.618 29.961 26.382 1.00 9.54 H new ATOM 0 HA GLU C 22 -35.556 29.634 24.597 1.00 9.55 H new ATOM 0 HB2 GLU C 22 -33.178 31.056 24.241 1.00 9.33 H new ATOM 0 HB3 GLU C 22 -34.371 31.108 23.238 1.00 9.33 H new ATOM 0 HG2 GLU C 22 -34.424 32.153 25.885 1.00 12.57 H new ATOM 0 HG3 GLU C 22 -34.487 33.014 24.586 1.00 12.57 H new ATOM 2445 N CYS C 23 -32.951 27.954 24.027 1.00 9.16 N ATOM 2446 CA CYS C 23 -32.494 26.796 23.246 1.00 8.84 C ATOM 2447 C CYS C 23 -33.526 25.682 23.309 1.00 9.90 C ATOM 2448 O CYS C 23 -33.877 25.075 22.288 1.00 8.40 O ATOM 2449 CB CYS C 23 -31.176 26.259 23.796 1.00 9.21 C ATOM 2450 SG CYS C 23 -29.699 27.237 23.413 1.00 9.92 S ATOM 0 H CYS C 23 -32.442 28.164 24.687 1.00 9.16 H new ATOM 0 HA CYS C 23 -32.370 27.088 22.329 1.00 8.84 H new ATOM 0 HB2 CYS C 23 -31.254 26.187 24.760 1.00 9.21 H new ATOM 0 HB3 CYS C 23 -31.045 25.361 23.454 1.00 9.21 H new ATOM 0 HG CYS C 23 -29.703 28.242 24.069 1.00 9.92 H new ATOM 2451 N VAL C 24 -34.087 25.424 24.500 1.00 8.80 N ATOM 2452 CA VAL C 24 -35.081 24.386 24.657 1.00 9.11 C ATOM 2453 C VAL C 24 -36.347 24.750 23.873 1.00 9.68 C ATOM 2454 O VAL C 24 -36.901 23.903 23.170 1.00 10.36 O ATOM 2455 CB VAL C 24 -35.366 24.147 26.162 1.00 10.83 C ATOM 2456 CG1 VAL C 24 -36.543 23.223 26.306 1.00 12.26 C ATOM 2457 CG2 VAL C 24 -34.108 23.524 26.829 1.00 13.34 C ATOM 0 H VAL C 24 -33.896 25.847 25.224 1.00 8.80 H new ATOM 0 HA VAL C 24 -34.746 23.552 24.292 1.00 9.11 H new ATOM 0 HB VAL C 24 -35.572 24.989 26.598 1.00 10.83 H new ATOM 0 HG11 VAL C 24 -36.723 23.072 27.247 1.00 12.26 H new ATOM 0 HG12 VAL C 24 -37.322 23.623 25.888 1.00 12.26 H new ATOM 0 HG13 VAL C 24 -36.345 22.377 25.875 1.00 12.26 H new ATOM 0 HG21 VAL C 24 -34.282 23.373 27.771 1.00 13.34 H new ATOM 0 HG22 VAL C 24 -33.899 22.680 26.400 1.00 13.34 H new ATOM 0 HG23 VAL C 24 -33.357 24.130 26.733 1.00 13.34 H new ATOM 2458 N VAL C 25 -36.764 26.022 23.972 1.00 9.60 N ATOM 2459 CA VAL C 25 -37.962 26.478 23.188 1.00 9.28 C ATOM 2460 C VAL C 25 -37.643 26.262 21.698 1.00 9.29 C ATOM 2461 O VAL C 25 -38.506 25.736 20.977 1.00 9.51 O ATOM 2462 CB VAL C 25 -38.237 27.929 23.465 1.00 10.39 C ATOM 2463 CG1 VAL C 25 -39.242 28.496 22.427 1.00 11.82 C ATOM 2464 CG2 VAL C 25 -38.784 28.067 24.943 1.00 11.98 C ATOM 0 H VAL C 25 -36.394 26.624 24.462 1.00 9.60 H new ATOM 0 HA VAL C 25 -38.753 25.976 23.440 1.00 9.28 H new ATOM 0 HB VAL C 25 -37.420 28.446 23.383 1.00 10.39 H new ATOM 0 HG11 VAL C 25 -39.410 29.432 22.617 1.00 11.82 H new ATOM 0 HG12 VAL C 25 -38.870 28.410 21.535 1.00 11.82 H new ATOM 0 HG13 VAL C 25 -40.075 28.001 22.479 1.00 11.82 H new ATOM 0 HG21 VAL C 25 -38.966 29.000 25.135 1.00 11.98 H new ATOM 0 HG22 VAL C 25 -39.602 27.553 25.035 1.00 11.98 H new ATOM 0 HG23 VAL C 25 -38.120 27.732 25.566 1.00 11.98 H new ATOM 2465 N HIS C 26 -36.439 26.621 21.250 1.00 8.37 N ATOM 2466 CA HIS C 26 -36.093 26.462 19.848 1.00 8.73 C ATOM 2467 C HIS C 26 -36.212 25.003 19.400 1.00 9.11 C ATOM 2468 O HIS C 26 -36.723 24.702 18.278 1.00 8.48 O ATOM 2469 CB HIS C 26 -34.711 27.031 19.565 1.00 9.47 C ATOM 2470 CG HIS C 26 -34.560 27.563 18.176 1.00 8.55 C ATOM 2471 ND1 HIS C 26 -35.362 28.585 17.703 1.00 8.99 N ATOM 2472 CD2 HIS C 26 -33.657 27.291 17.217 1.00 8.70 C ATOM 2473 CE1 HIS C 26 -34.947 28.909 16.484 1.00 8.79 C ATOM 2474 NE2 HIS C 26 -33.955 28.107 16.149 1.00 10.80 N ATOM 0 H HIS C 26 -35.817 26.955 21.741 1.00 8.37 H new ATOM 0 HA HIS C 26 -36.732 26.969 19.323 1.00 8.73 H new ATOM 0 HB2 HIS C 26 -34.526 27.742 20.198 1.00 9.47 H new ATOM 0 HB3 HIS C 26 -34.047 26.339 19.713 1.00 9.47 H new ATOM 0 HD1 HIS C 26 -36.017 28.948 18.126 1.00 8.99 H new ATOM 0 HD2 HIS C 26 -32.965 26.671 17.266 1.00 8.70 H new ATOM 0 HE1 HIS C 26 -35.298 29.588 15.955 1.00 8.79 H new ATOM 2475 N PHE C 27 -35.751 24.078 20.246 1.00 8.95 N ATOM 2476 CA PHE C 27 -35.911 22.682 19.953 1.00 8.69 C ATOM 2477 C PHE C 27 -37.398 22.254 19.866 1.00 9.45 C ATOM 2478 O PHE C 27 -37.798 21.570 18.958 1.00 9.19 O ATOM 2479 CB PHE C 27 -35.136 21.802 20.961 1.00 8.73 C ATOM 2480 CG PHE C 27 -35.411 20.360 20.786 1.00 9.73 C ATOM 2481 CD1 PHE C 27 -34.826 19.669 19.725 1.00 9.33 C ATOM 2482 CD2 PHE C 27 -36.328 19.688 21.587 1.00 10.61 C ATOM 2483 CE1 PHE C 27 -35.102 18.289 19.512 1.00 12.47 C ATOM 2484 CE2 PHE C 27 -36.608 18.314 21.371 1.00 11.70 C ATOM 2485 CZ PHE C 27 -36.037 17.652 20.331 1.00 11.99 C ATOM 0 H PHE C 27 -35.348 24.250 20.986 1.00 8.95 H new ATOM 0 HA PHE C 27 -35.529 22.542 19.072 1.00 8.69 H new ATOM 0 HB2 PHE C 27 -34.185 21.961 20.859 1.00 8.73 H new ATOM 0 HB3 PHE C 27 -35.373 22.066 21.864 1.00 8.73 H new ATOM 0 HD1 PHE C 27 -34.248 20.116 19.149 1.00 9.33 H new ATOM 0 HD2 PHE C 27 -36.762 20.144 22.271 1.00 10.61 H new ATOM 0 HE1 PHE C 27 -34.667 17.819 18.838 1.00 12.47 H new ATOM 0 HE2 PHE C 27 -37.186 17.864 21.944 1.00 11.70 H new ATOM 0 HZ PHE C 27 -36.271 16.768 20.163 1.00 11.99 H new ATOM 2486 N GLN C 28 -38.173 22.690 20.860 1.00 9.62 N ATOM 2487 CA GLN C 28 -39.588 22.324 20.867 1.00 10.47 C ATOM 2488 C GLN C 28 -40.312 22.876 19.647 1.00 9.15 C ATOM 2489 O GLN C 28 -41.117 22.121 19.042 1.00 12.07 O ATOM 2490 CB GLN C 28 -40.211 22.872 22.146 1.00 11.39 C ATOM 2491 CG GLN C 28 -39.632 22.219 23.394 1.00 15.65 C ATOM 2492 CD GLN C 28 -40.132 22.868 24.669 1.00 19.78 C ATOM 2493 OE1 GLN C 28 -40.225 24.095 24.765 1.00 21.08 O ATOM 2494 NE2 GLN C 28 -40.473 22.037 25.654 1.00 27.64 N ATOM 0 H GLN C 28 -37.911 23.180 21.516 1.00 9.62 H new ATOM 0 HA GLN C 28 -39.671 21.358 20.835 1.00 10.47 H new ATOM 0 HB2 GLN C 28 -40.068 23.830 22.189 1.00 11.39 H new ATOM 0 HB3 GLN C 28 -41.170 22.729 22.124 1.00 11.39 H new ATOM 0 HG2 GLN C 28 -39.864 21.277 23.401 1.00 15.65 H new ATOM 0 HG3 GLN C 28 -38.664 22.272 23.365 1.00 15.65 H new ATOM 0 HE21 GLN C 28 -40.393 21.187 25.547 1.00 27.64 H new ATOM 0 HE22 GLN C 28 -40.773 22.350 26.397 1.00 27.64 H new ATOM 2495 N MET C 29 -39.956 24.069 19.211 1.00 8.77 N ATOM 2496 CA MET C 29 -40.529 24.663 17.980 1.00 8.88 C ATOM 2497 C MET C 29 -40.278 23.824 16.771 1.00 9.97 C ATOM 2498 O MET C 29 -41.092 23.863 15.820 1.00 11.58 O ATOM 2499 CB MET C 29 -40.008 26.043 17.747 1.00 8.97 C ATOM 2500 CG MET C 29 -40.566 27.053 18.714 1.00 12.23 C ATOM 2501 SD MET C 29 -39.658 28.627 18.504 1.00 12.75 S ATOM 2502 CE MET C 29 -40.846 29.753 19.306 1.00 14.61 C ATOM 0 H MET C 29 -39.379 24.569 19.607 1.00 8.77 H new ATOM 0 HA MET C 29 -41.487 24.704 18.123 1.00 8.88 H new ATOM 0 HB2 MET C 29 -39.041 26.034 17.818 1.00 8.97 H new ATOM 0 HB3 MET C 29 -40.223 26.316 16.842 1.00 8.97 H new ATOM 0 HG2 MET C 29 -41.513 27.187 18.552 1.00 12.23 H new ATOM 0 HG3 MET C 29 -40.477 26.732 19.625 1.00 12.23 H new ATOM 0 HE1 MET C 29 -40.502 30.660 19.278 1.00 14.61 H new ATOM 0 HE2 MET C 29 -41.695 29.715 18.838 1.00 14.61 H new ATOM 0 HE3 MET C 29 -40.974 29.485 20.229 1.00 14.61 H new ATOM 2503 N SER C 30 -39.153 23.152 16.727 1.00 9.67 N ATOM 2504 CA SER C 30 -38.669 22.480 15.533 1.00 9.32 C ATOM 2505 C SER C 30 -39.453 21.193 15.232 1.00 9.03 C ATOM 2506 O SER C 30 -39.303 20.640 14.124 1.00 9.29 O ATOM 2507 CB SER C 30 -37.175 22.137 15.661 1.00 9.37 C ATOM 2508 OG SER C 30 -36.924 21.021 16.456 1.00 9.01 O ATOM 0 H SER C 30 -38.631 23.067 17.405 1.00 9.67 H new ATOM 0 HA SER C 30 -38.802 23.099 14.798 1.00 9.32 H new ATOM 0 HB2 SER C 30 -36.810 21.983 14.776 1.00 9.37 H new ATOM 0 HB3 SER C 30 -36.706 22.901 16.032 1.00 9.37 H new ATOM 0 HG SER C 30 -37.187 21.170 17.240 1.00 9.01 H new ATOM 2509 N ALA C 31 -40.264 20.665 16.174 1.00 8.01 N ATOM 2510 CA ALA C 31 -40.919 19.382 15.973 1.00 7.92 C ATOM 2511 C ALA C 31 -41.769 19.458 14.698 1.00 8.25 C ATOM 2512 O ALA C 31 -42.584 20.367 14.521 1.00 8.54 O ATOM 2513 CB ALA C 31 -41.810 19.068 17.147 1.00 8.13 C ATOM 0 H ALA C 31 -40.438 21.042 16.927 1.00 8.01 H new ATOM 0 HA ALA C 31 -40.249 18.685 15.890 1.00 7.92 H new ATOM 0 HB1 ALA C 31 -42.243 18.212 17.005 1.00 8.13 H new ATOM 0 HB2 ALA C 31 -41.277 19.031 17.957 1.00 8.13 H new ATOM 0 HB3 ALA C 31 -42.484 19.760 17.236 1.00 8.13 H new ATOM 2514 N GLY C 32 -41.629 18.470 13.850 1.00 7.59 N ATOM 2515 CA GLY C 32 -42.476 18.407 12.621 1.00 8.67 C ATOM 2516 C GLY C 32 -42.257 19.524 11.660 1.00 8.22 C ATOM 2517 O GLY C 32 -43.119 19.735 10.812 1.00 8.84 O ATOM 0 H GLY C 32 -41.068 17.824 13.940 1.00 7.59 H new ATOM 0 HA2 GLY C 32 -42.305 17.567 12.167 1.00 8.67 H new ATOM 0 HA3 GLY C 32 -43.409 18.402 12.885 1.00 8.67 H new ATOM 2518 N AMET C 33 -41.124 20.189 11.729 0.50 8.21 N ATOM 2519 N BMET C 33 -41.155 20.252 11.697 0.50 8.09 N ATOM 2520 CA AMET C 33 -40.751 21.273 10.837 0.50 8.69 C ATOM 2521 CA BMET C 33 -40.990 21.381 10.771 0.50 8.58 C ATOM 2522 C AMET C 33 -40.786 20.715 9.371 0.50 8.24 C ATOM 2523 C BMET C 33 -40.796 20.851 9.359 0.50 8.07 C ATOM 2524 O AMET C 33 -40.198 19.619 9.165 0.50 8.06 O ATOM 2525 O BMET C 33 -40.001 19.981 9.135 0.50 7.40 O ATOM 2526 CB AMET C 33 -39.337 21.720 11.264 0.50 8.17 C ATOM 2527 CB BMET C 33 -39.776 22.221 11.104 0.50 8.74 C ATOM 2528 CG AMET C 33 -38.748 22.948 10.496 0.50 11.83 C ATOM 2529 CG BMET C 33 -39.479 23.389 10.108 0.50 9.73 C ATOM 2530 SD AMET C 33 -39.751 24.464 10.540 0.50 13.04 S ATOM 2531 SD BMET C 33 -38.251 24.417 10.873 0.50 12.16 S ATOM 2532 CE AMET C 33 -39.573 24.907 12.291 0.50 13.50 C ATOM 2533 CE BMET C 33 -39.189 24.767 12.389 0.50 11.76 C ATOM 0 H AMET C 33 -40.523 20.017 12.320 0.50 8.09 H new ATOM 0 H BMET C 33 -40.498 20.121 12.236 0.50 8.09 H new ATOM 0 HA AMET C 33 -41.349 22.036 10.878 0.50 8.58 H new ATOM 0 HA BMET C 33 -41.787 21.929 10.847 0.50 8.58 H new ATOM 0 HB2AMET C 33 -39.355 21.931 12.211 0.50 8.74 H new ATOM 0 HB2BMET C 33 -39.893 22.594 11.992 0.50 8.74 H new ATOM 0 HB3AMET C 33 -38.732 20.970 11.152 0.50 8.74 H new ATOM 0 HB3BMET C 33 -38.999 21.641 11.140 0.50 8.74 H new ATOM 0 HG2AMET C 33 -37.873 23.149 10.863 0.50 9.73 H new ATOM 0 HG2BMET C 33 -39.159 23.044 9.260 0.50 9.73 H new ATOM 0 HG3AMET C 33 -38.615 22.695 9.569 0.50 9.73 H new ATOM 0 HG3BMET C 33 -40.285 23.896 9.922 0.50 9.73 H new ATOM 0 HE1AMET C 33 -40.107 25.694 12.482 0.50 11.76 H new ATOM 0 HE1BMET C 33 -39.115 25.710 12.605 0.50 11.76 H new ATOM 0 HE2AMET C 33 -39.875 24.170 12.844 0.50 11.76 H new ATOM 0 HE2BMET C 33 -40.122 24.539 12.252 0.50 11.76 H new ATOM 0 HE3AMET C 33 -38.641 25.095 12.484 0.50 11.76 H new ATOM 0 HE3BMET C 33 -38.831 24.239 13.120 0.50 11.76 H new ATOM 2534 N PRO C 34 -41.495 21.410 8.410 1.00 8.93 N ATOM 2535 CA PRO C 34 -41.389 20.905 7.032 1.00 9.11 C ATOM 2536 C PRO C 34 -39.933 20.815 6.529 1.00 8.08 C ATOM 2537 O PRO C 34 -39.127 21.724 6.701 1.00 9.76 O ATOM 2538 CB PRO C 34 -42.157 21.970 6.219 1.00 9.84 C ATOM 2539 CG PRO C 34 -43.205 22.482 7.220 1.00 9.62 C ATOM 2540 CD PRO C 34 -42.439 22.557 8.519 1.00 9.13 C ATOM 0 HA PRO C 34 -41.736 20.002 6.954 1.00 9.11 H new ATOM 0 HB2 PRO C 34 -41.572 22.682 5.917 1.00 9.84 H new ATOM 0 HB3 PRO C 34 -42.571 21.589 5.429 1.00 9.84 H new ATOM 0 HG2 PRO C 34 -43.554 23.349 6.960 1.00 9.62 H new ATOM 0 HG3 PRO C 34 -43.962 21.879 7.285 1.00 9.62 H new ATOM 0 HD2 PRO C 34 -41.971 23.401 8.613 1.00 9.13 H new ATOM 0 HD3 PRO C 34 -43.024 22.470 9.288 1.00 9.13 H new ATOM 2541 N GLY C 35 -39.681 19.679 5.879 1.00 8.25 N ATOM 2542 CA GLY C 35 -38.364 19.415 5.268 1.00 9.19 C ATOM 2543 C GLY C 35 -37.267 19.042 6.260 1.00 10.40 C ATOM 2544 O GLY C 35 -36.193 18.617 5.786 1.00 10.87 O ATOM 0 H GLY C 35 -40.254 19.046 5.777 1.00 8.25 H new ATOM 0 HA2 GLY C 35 -38.458 18.697 4.623 1.00 9.19 H new ATOM 0 HA3 GLY C 35 -38.085 20.203 4.776 1.00 9.19 H new ATOM 2545 N LEU C 36 -37.463 19.184 7.557 1.00 9.98 N ATOM 2546 CA LEU C 36 -36.378 18.966 8.540 1.00 11.01 C ATOM 2547 C LEU C 36 -36.429 17.542 9.029 1.00 11.74 C ATOM 2548 O LEU C 36 -37.462 17.055 9.515 1.00 15.71 O ATOM 2549 CB LEU C 36 -36.540 19.983 9.662 1.00 11.50 C ATOM 2550 CG LEU C 36 -35.432 19.945 10.736 1.00 10.26 C ATOM 2551 CD1 LEU C 36 -34.105 20.352 10.163 1.00 11.56 C ATOM 2552 CD2 LEU C 36 -35.864 21.018 11.719 1.00 16.04 C ATOM 0 H LEU C 36 -38.217 19.407 7.906 1.00 9.98 H new ATOM 0 HA LEU C 36 -35.503 19.096 8.142 1.00 11.01 H new ATOM 0 HB2 LEU C 36 -36.567 20.872 9.274 1.00 11.50 H new ATOM 0 HB3 LEU C 36 -37.396 19.836 10.093 1.00 11.50 H new ATOM 0 HG LEU C 36 -35.327 19.059 11.116 1.00 10.26 H new ATOM 0 HD11 LEU C 36 -33.429 20.319 10.858 1.00 11.56 H new ATOM 0 HD12 LEU C 36 -33.862 19.745 9.447 1.00 11.56 H new ATOM 0 HD13 LEU C 36 -34.166 21.255 9.814 1.00 11.56 H new ATOM 0 HD21 LEU C 36 -35.221 21.072 12.443 1.00 16.04 H new ATOM 0 HD22 LEU C 36 -35.911 21.874 11.264 1.00 16.04 H new ATOM 0 HD23 LEU C 36 -36.737 20.795 12.079 1.00 16.04 H new ATOM 2553 N HIS C 37 -35.375 16.793 8.898 1.00 9.27 N ATOM 2554 CA HIS C 37 -35.369 15.472 9.413 1.00 11.15 C ATOM 2555 C HIS C 37 -35.101 15.465 10.934 1.00 10.80 C ATOM 2556 O HIS C 37 -35.684 14.686 11.651 1.00 13.25 O ATOM 2557 CB HIS C 37 -34.284 14.675 8.752 1.00 12.35 C ATOM 2558 CG HIS C 37 -34.198 13.281 9.251 1.00 15.16 C ATOM 2559 ND1 HIS C 37 -33.131 12.808 9.984 1.00 22.98 N ATOM 2560 CD2 HIS C 37 -35.083 12.266 9.150 1.00 18.01 C ATOM 2561 CE1 HIS C 37 -33.357 11.541 10.304 1.00 22.76 C ATOM 2562 NE2 HIS C 37 -34.531 11.191 9.806 1.00 25.21 N ATOM 0 H HIS C 37 -34.647 17.036 8.510 1.00 9.27 H new ATOM 0 HA HIS C 37 -36.241 15.085 9.236 1.00 11.15 H new ATOM 0 HB2 HIS C 37 -34.438 14.661 7.794 1.00 12.35 H new ATOM 0 HB3 HIS C 37 -33.433 15.117 8.895 1.00 12.35 H new ATOM 0 HD2 HIS C 37 -35.907 12.290 8.720 1.00 18.01 H new ATOM 0 HE1 HIS C 37 -32.788 10.993 10.794 1.00 22.76 H new ATOM 0 HE2 HIS C 37 -34.892 10.414 9.881 1.00 25.21 H new ATOM 2563 N ALYS C 38 -34.261 16.392 11.409 0.50 9.09 N ATOM 2564 N BLYS C 38 -34.147 16.276 11.408 0.50 9.58 N ATOM 2565 CA ALYS C 38 -33.868 16.411 12.831 0.50 10.19 C ATOM 2566 CA BLYS C 38 -33.745 16.268 12.847 0.50 10.21 C ATOM 2567 C ALYS C 38 -33.213 17.744 13.077 0.50 9.44 C ATOM 2568 C BLYS C 38 -33.142 17.656 13.100 0.50 9.46 C ATOM 2569 O ALYS C 38 -32.549 18.335 12.211 0.50 7.83 O ATOM 2570 O BLYS C 38 -32.474 18.221 12.206 0.50 8.22 O ATOM 2571 CB ALYS C 38 -32.864 15.303 13.115 0.50 9.97 C ATOM 2572 CB BLYS C 38 -32.712 15.172 13.105 0.50 10.37 C ATOM 2573 CG ALYS C 38 -32.432 15.147 14.569 0.50 11.60 C ATOM 2574 CG BLYS C 38 -32.146 15.135 14.497 0.50 12.44 C ATOM 2575 CD ALYS C 38 -31.492 13.908 14.686 0.50 10.41 C ATOM 2576 CD BLYS C 38 -31.082 14.026 14.587 0.50 12.05 C ATOM 2577 CE ALYS C 38 -30.589 14.027 15.915 0.50 10.86 C ATOM 2578 CE BLYS C 38 -30.413 14.117 15.950 0.50 15.45 C ATOM 2579 NZ ALYS C 38 -29.607 12.896 16.066 0.50 11.07 N ATOM 2580 NZ BLYS C 38 -31.415 13.819 17.021 0.50 19.07 N ATOM 0 H ALYS C 38 -33.909 17.015 10.932 0.50 9.58 H new ATOM 0 H BLYS C 38 -33.715 16.840 10.924 0.50 9.58 H new ATOM 0 HA ALYS C 38 -34.640 16.276 13.403 0.50 10.21 H new ATOM 0 HA BLYS C 38 -34.494 16.088 13.436 0.50 10.21 H new ATOM 0 HB2ALYS C 38 -33.245 14.462 12.818 0.50 10.37 H new ATOM 0 HB2BLYS C 38 -33.120 14.313 12.915 0.50 10.37 H new ATOM 0 HB3ALYS C 38 -32.073 15.462 12.577 0.50 10.37 H new ATOM 0 HB3BLYS C 38 -31.981 15.284 12.478 0.50 10.37 H new ATOM 0 HG2ALYS C 38 -31.972 15.946 14.870 0.50 12.44 H new ATOM 0 HG2BLYS C 38 -31.753 15.993 14.720 0.50 12.44 H new ATOM 0 HG3ALYS C 38 -33.208 15.034 15.139 0.50 12.44 H new ATOM 0 HG3BLYS C 38 -32.853 14.971 15.140 0.50 12.44 H new ATOM 0 HD2ALYS C 38 -32.023 13.098 14.746 0.50 12.05 H new ATOM 0 HD2BLYS C 38 -31.491 13.155 14.469 0.50 12.05 H new ATOM 0 HD3ALYS C 38 -30.949 13.832 13.886 0.50 12.05 H new ATOM 0 HD3BLYS C 38 -30.425 14.129 13.881 0.50 12.05 H new ATOM 0 HE2ALYS C 38 -30.100 14.863 15.866 0.50 15.45 H new ATOM 0 HE2BLYS C 38 -29.675 13.490 16.001 0.50 15.45 H new ATOM 0 HE3ALYS C 38 -31.144 14.069 16.710 0.50 15.45 H new ATOM 0 HE3BLYS C 38 -30.041 15.003 16.080 0.50 15.45 H new ATOM 0 HZ1ALYS C 38 -28.868 13.195 16.462 0.50 19.07 H new ATOM 0 HZ1BLYS C 38 -31.001 13.464 17.724 0.50 19.07 H new ATOM 0 HZ2ALYS C 38 -29.970 12.252 16.562 0.50 19.07 H new ATOM 0 HZ2BLYS C 38 -31.821 14.572 17.266 0.50 19.07 H new ATOM 0 HZ3ALYS C 38 -29.402 12.572 15.263 0.50 19.07 H new ATOM 0 HZ3BLYS C 38 -32.019 13.244 16.711 0.50 19.07 H new ATOM 2581 N TYR C 39 -33.394 18.219 14.299 1.00 8.93 N ATOM 2582 CA TYR C 39 -32.702 19.390 14.829 1.00 7.46 C ATOM 2583 C TYR C 39 -32.166 18.970 16.191 1.00 8.30 C ATOM 2584 O TYR C 39 -32.836 18.286 16.973 1.00 10.14 O ATOM 2585 CB TYR C 39 -33.623 20.604 15.025 1.00 8.65 C ATOM 2586 CG TYR C 39 -32.992 21.793 15.651 1.00 7.65 C ATOM 2587 CD1 TYR C 39 -31.936 22.491 15.055 1.00 8.26 C ATOM 2588 CD2 TYR C 39 -33.439 22.195 16.896 1.00 8.94 C ATOM 2589 CE1 TYR C 39 -31.331 23.576 15.654 1.00 8.24 C ATOM 2590 CE2 TYR C 39 -32.825 23.255 17.535 1.00 9.16 C ATOM 2591 CZ TYR C 39 -31.816 23.983 16.931 1.00 9.01 C ATOM 2592 OH TYR C 39 -31.212 25.058 17.575 1.00 10.76 O ATOM 0 H ATYR C 39 -33.937 17.861 14.861 0.50 8.93 H new ATOM 0 H BTYR C 39 -33.993 17.912 14.835 0.50 8.93 H new ATOM 0 HA TYR C 39 -32.015 19.664 14.202 1.00 7.46 H new ATOM 0 HB2 TYR C 39 -33.978 20.864 14.160 1.00 8.65 H new ATOM 0 HB3 TYR C 39 -34.377 20.333 15.571 1.00 8.65 H new ATOM 0 HD1 TYR C 39 -31.630 22.212 14.222 1.00 8.26 H new ATOM 0 HD2 TYR C 39 -34.150 21.754 17.302 1.00 8.94 H new ATOM 0 HE1 TYR C 39 -30.631 24.026 15.239 1.00 8.24 H new ATOM 0 HE2 TYR C 39 -33.097 23.485 18.394 1.00 9.16 H new ATOM 0 HH TYR C 39 -30.773 25.508 17.018 1.00 10.76 H new ATOM 2593 N GLU C 40 -30.954 19.381 16.515 1.00 6.55 N ATOM 2594 CA GLU C 40 -30.348 19.215 17.846 1.00 7.64 C ATOM 2595 C GLU C 40 -29.694 20.484 18.261 1.00 7.08 C ATOM 2596 O GLU C 40 -29.037 21.180 17.480 1.00 7.56 O ATOM 2597 CB GLU C 40 -29.348 18.087 17.769 1.00 7.31 C ATOM 2598 CG GLU C 40 -28.814 17.715 19.172 1.00 8.76 C ATOM 2599 CD GLU C 40 -28.002 16.408 19.180 1.00 9.39 C ATOM 2600 OE1 GLU C 40 -27.184 16.157 18.291 1.00 9.37 O ATOM 2601 OE2 GLU C 40 -28.203 15.611 20.103 1.00 10.96 O ATOM 0 H GLU C 40 -30.436 19.779 15.956 1.00 6.55 H new ATOM 0 HA GLU C 40 -31.024 19.001 18.508 1.00 7.64 H new ATOM 0 HB2 GLU C 40 -29.763 17.311 17.362 1.00 7.31 H new ATOM 0 HB3 GLU C 40 -28.609 18.346 17.197 1.00 7.31 H new ATOM 0 HG2 GLU C 40 -28.258 18.437 19.503 1.00 8.76 H new ATOM 0 HG3 GLU C 40 -29.561 17.629 19.785 1.00 8.76 H new ATOM 2602 N VAL C 41 -29.845 20.834 19.525 1.00 7.49 N ATOM 2603 CA VAL C 41 -29.107 21.961 20.129 1.00 7.78 C ATOM 2604 C VAL C 41 -28.600 21.537 21.500 1.00 6.91 C ATOM 2605 O VAL C 41 -29.271 20.853 22.277 1.00 8.62 O ATOM 2606 CB VAL C 41 -30.022 23.242 20.220 1.00 7.70 C ATOM 2607 CG1 VAL C 41 -31.212 22.988 21.128 1.00 9.57 C ATOM 2608 CG2 VAL C 41 -29.235 24.482 20.701 1.00 9.19 C ATOM 0 H VAL C 41 -30.376 20.432 20.069 1.00 7.49 H new ATOM 0 HA VAL C 41 -28.348 22.194 19.571 1.00 7.78 H new ATOM 0 HB VAL C 41 -30.344 23.429 19.324 1.00 7.70 H new ATOM 0 HG11 VAL C 41 -31.762 23.786 21.171 1.00 9.57 H new ATOM 0 HG12 VAL C 41 -31.737 22.252 20.776 1.00 9.57 H new ATOM 0 HG13 VAL C 41 -30.898 22.763 22.018 1.00 9.57 H new ATOM 0 HG21 VAL C 41 -29.830 25.247 20.744 1.00 9.19 H new ATOM 0 HG22 VAL C 41 -28.866 24.310 21.582 1.00 9.19 H new ATOM 0 HG23 VAL C 41 -28.514 24.669 20.080 1.00 9.19 H new ATOM 2609 N ARG C 42 -27.354 21.901 21.757 1.00 7.77 N ATOM 2610 CA ARG C 42 -26.637 21.497 22.981 1.00 7.72 C ATOM 2611 C ARG C 42 -25.883 22.702 23.485 1.00 7.10 C ATOM 2612 O ARG C 42 -25.374 23.515 22.709 1.00 7.93 O ATOM 2613 CB ARG C 42 -25.642 20.389 22.699 1.00 8.01 C ATOM 2614 CG ARG C 42 -26.241 19.078 22.320 1.00 10.36 C ATOM 2615 CD ARG C 42 -25.069 18.175 21.941 1.00 12.17 C ATOM 2616 NE ARG C 42 -24.557 18.399 20.597 1.00 11.06 N ATOM 2617 CZ ARG C 42 -23.491 17.769 20.041 1.00 11.48 C ATOM 2618 NH1 ARG C 42 -22.634 17.074 20.805 1.00 10.84 N ATOM 2619 NH2 ARG C 42 -23.214 17.843 18.740 1.00 10.06 N ATOM 0 H ARG C 42 -26.888 22.393 21.228 1.00 7.77 H new ATOM 0 HA ARG C 42 -27.277 21.170 23.632 1.00 7.72 H new ATOM 0 HB2 ARG C 42 -25.053 20.677 21.985 1.00 8.01 H new ATOM 0 HB3 ARG C 42 -25.091 20.261 23.487 1.00 8.01 H new ATOM 0 HG2 ARG C 42 -26.746 18.701 23.057 1.00 10.36 H new ATOM 0 HG3 ARG C 42 -26.856 19.179 21.577 1.00 10.36 H new ATOM 0 HD2 ARG C 42 -24.350 18.311 22.578 1.00 12.17 H new ATOM 0 HD3 ARG C 42 -25.347 17.249 22.021 1.00 12.17 H new ATOM 0 HE ARG C 42 -24.965 18.981 20.113 1.00 11.06 H new ATOM 0 HH11 ARG C 42 -22.758 17.025 21.655 1.00 10.84 H new ATOM 0 HH12 ARG C 42 -21.961 16.678 20.445 1.00 10.84 H new ATOM 0 HH21 ARG C 42 -23.720 18.303 18.218 1.00 10.06 H new ATOM 0 HH22 ARG C 42 -22.530 17.431 18.422 1.00 10.06 H new ATOM 2620 N LEU C 43 -25.769 22.827 24.832 1.00 7.38 N ATOM 2621 CA LEU C 43 -24.883 23.865 25.355 1.00 8.35 C ATOM 2622 C LEU C 43 -23.426 23.459 25.264 1.00 8.30 C ATOM 2623 O LEU C 43 -23.112 22.284 25.321 1.00 8.84 O ATOM 2624 CB LEU C 43 -25.213 24.222 26.833 1.00 10.93 C ATOM 2625 CG LEU C 43 -26.580 24.799 27.071 1.00 12.48 C ATOM 2626 CD1 LEU C 43 -26.723 25.074 28.605 1.00 12.84 C ATOM 2627 CD2 LEU C 43 -26.728 26.131 26.317 1.00 15.60 C ATOM 0 H LEU C 43 -26.175 22.346 25.418 1.00 7.38 H new ATOM 0 HA LEU C 43 -25.032 24.646 24.800 1.00 8.35 H new ATOM 0 HB2 LEU C 43 -25.119 23.421 27.371 1.00 10.93 H new ATOM 0 HB3 LEU C 43 -24.552 24.856 27.151 1.00 10.93 H new ATOM 0 HG LEU C 43 -27.259 24.180 26.759 1.00 12.48 H new ATOM 0 HD11 LEU C 43 -27.599 25.448 28.787 1.00 12.84 H new ATOM 0 HD12 LEU C 43 -26.619 24.243 29.094 1.00 12.84 H new ATOM 0 HD13 LEU C 43 -26.039 25.702 28.887 1.00 12.84 H new ATOM 0 HD21 LEU C 43 -27.612 26.496 26.476 1.00 15.60 H new ATOM 0 HD22 LEU C 43 -26.058 26.758 26.632 1.00 15.60 H new ATOM 0 HD23 LEU C 43 -26.607 25.980 25.366 1.00 15.60 H new ATOM 2628 N VAL C 44 -22.551 24.442 25.172 1.00 9.59 N ATOM 2629 CA VAL C 44 -21.126 24.239 25.433 1.00 9.88 C ATOM 2630 C VAL C 44 -20.914 24.298 26.946 1.00 9.78 C ATOM 2631 O VAL C 44 -21.117 25.383 27.522 1.00 12.10 O ATOM 2632 CB VAL C 44 -20.272 25.245 24.676 1.00 10.19 C ATOM 2633 CG1 VAL C 44 -18.761 25.005 25.042 1.00 10.26 C ATOM 2634 CG2 VAL C 44 -20.448 25.071 23.170 1.00 11.29 C ATOM 0 H VAL C 44 -22.759 25.248 24.957 1.00 9.59 H new ATOM 0 HA VAL C 44 -20.842 23.370 25.108 1.00 9.88 H new ATOM 0 HB VAL C 44 -20.546 26.142 24.924 1.00 10.19 H new ATOM 0 HG11 VAL C 44 -18.207 25.642 24.564 1.00 10.26 H new ATOM 0 HG12 VAL C 44 -18.637 25.122 25.997 1.00 10.26 H new ATOM 0 HG13 VAL C 44 -18.506 24.103 24.791 1.00 10.26 H new ATOM 0 HG21 VAL C 44 -19.898 25.719 22.703 1.00 11.29 H new ATOM 0 HG22 VAL C 44 -20.179 24.175 22.914 1.00 11.29 H new ATOM 0 HG23 VAL C 44 -21.379 25.209 22.935 1.00 11.29 H new ATOM 2635 N ALA C 45 -20.514 23.200 27.531 1.00 10.15 N ATOM 2636 CA ALA C 45 -20.358 23.083 29.026 1.00 10.76 C ATOM 2637 C ALA C 45 -18.919 23.203 29.407 1.00 13.76 C ATOM 2638 O ALA C 45 -18.624 23.540 30.566 1.00 17.58 O ATOM 2639 CB ALA C 45 -20.887 21.781 29.478 1.00 15.31 C ATOM 0 H ALA C 45 -20.316 22.481 27.103 1.00 10.15 H new ATOM 0 HA ALA C 45 -20.854 23.799 29.452 1.00 10.76 H new ATOM 0 HB1 ALA C 45 -20.786 21.707 30.440 1.00 15.31 H new ATOM 0 HB2 ALA C 45 -21.826 21.715 29.246 1.00 15.31 H new ATOM 0 HB3 ALA C 45 -20.396 21.064 29.046 1.00 15.31 H new ATOM 2640 N GLY C 46 -17.983 22.868 28.542 1.00 12.97 N ATOM 2641 CA GLY C 46 -16.559 22.882 28.904 1.00 15.11 C ATOM 2642 C GLY C 46 -15.706 23.169 27.694 1.00 13.40 C ATOM 2643 O GLY C 46 -16.079 22.853 26.505 1.00 12.57 O ATOM 0 H GLY C 46 -18.142 22.626 27.732 1.00 12.97 H new ATOM 0 HA2 GLY C 46 -16.400 23.554 29.585 1.00 15.11 H new ATOM 0 HA3 GLY C 46 -16.309 22.026 29.286 1.00 15.11 H new ATOM 2644 N ASN C 47 -14.544 23.769 27.941 1.00 14.16 N ATOM 2645 CA ASN C 47 -13.636 24.213 26.920 1.00 15.09 C ATOM 2646 C ASN C 47 -12.238 23.772 27.315 1.00 15.68 C ATOM 2647 O ASN C 47 -11.379 24.585 27.642 1.00 18.48 O ATOM 2648 CB ASN C 47 -13.669 25.729 26.780 1.00 14.35 C ATOM 2649 CG ASN C 47 -14.965 26.228 26.138 1.00 15.49 C ATOM 2650 OD1 ASN C 47 -15.031 26.365 24.936 1.00 14.11 O ATOM 2651 ND2 ASN C 47 -15.995 26.510 26.924 1.00 14.64 N ATOM 0 H ASN C 47 -14.264 23.929 28.738 1.00 14.16 H new ATOM 0 HA ASN C 47 -13.895 23.829 26.068 1.00 15.09 H new ATOM 0 HB2 ASN C 47 -13.568 26.134 27.655 1.00 14.35 H new ATOM 0 HB3 ASN C 47 -12.914 26.018 26.245 1.00 14.35 H new ATOM 0 HD21 ASN C 47 -16.730 26.797 26.583 1.00 14.64 H new ATOM 0 HD22 ASN C 47 -15.928 26.406 27.775 1.00 14.64 H new ATOM 2652 N PRO C 48 -11.999 22.471 27.262 1.00 16.43 N ATOM 2653 CA PRO C 48 -10.633 22.022 27.676 1.00 18.18 C ATOM 2654 C PRO C 48 -9.548 22.495 26.697 1.00 21.00 C ATOM 2655 O PRO C 48 -9.789 22.641 25.513 1.00 20.65 O ATOM 2656 CB PRO C 48 -10.780 20.504 27.706 1.00 19.80 C ATOM 2657 CG PRO C 48 -11.979 20.155 26.799 1.00 17.61 C ATOM 2658 CD PRO C 48 -12.913 21.357 26.927 1.00 17.20 C ATOM 0 HA PRO C 48 -10.345 22.390 28.526 1.00 18.18 H new ATOM 0 HB2 PRO C 48 -9.971 20.074 27.388 1.00 19.80 H new ATOM 0 HB3 PRO C 48 -10.931 20.191 28.612 1.00 19.80 H new ATOM 0 HG2 PRO C 48 -11.700 20.020 25.880 1.00 17.61 H new ATOM 0 HG3 PRO C 48 -12.414 19.337 27.086 1.00 17.61 H new ATOM 0 HD2 PRO C 48 -13.394 21.525 26.101 1.00 17.20 H new ATOM 0 HD3 PRO C 48 -13.578 21.220 27.620 1.00 17.20 H new ATOM 2659 N THR C 49 -8.322 22.713 27.183 1.00 22.97 N ATOM 2660 CA THR C 49 -7.280 23.267 26.314 1.00 25.18 C ATOM 2661 C THR C 49 -6.079 22.341 26.212 1.00 25.94 C ATOM 2662 O THR C 49 -5.133 22.655 25.483 1.00 26.16 O ATOM 2663 CB THR C 49 -6.773 24.659 26.774 1.00 26.22 C ATOM 2664 OG1 THR C 49 -6.288 24.566 28.120 1.00 28.07 O ATOM 2665 CG2 THR C 49 -7.894 25.738 26.720 1.00 26.19 C ATOM 0 H THR C 49 -8.078 22.552 27.992 1.00 22.97 H new ATOM 0 HA THR C 49 -7.707 23.362 25.448 1.00 25.18 H new ATOM 0 HB THR C 49 -6.065 24.928 26.167 1.00 26.22 H new ATOM 0 HG1 THR C 49 -6.011 25.318 28.371 1.00 28.07 H new ATOM 0 HG21 THR C 49 -7.537 26.591 27.014 1.00 26.19 H new ATOM 0 HG22 THR C 49 -8.220 25.821 25.810 1.00 26.19 H new ATOM 0 HG23 THR C 49 -8.624 25.475 27.302 1.00 26.19 H new ATOM 2666 N ASP C 50 -6.116 21.212 26.912 1.00 26.98 N ATOM 2667 CA ASP C 50 -4.996 20.263 26.881 1.00 28.28 C ATOM 2668 C ASP C 50 -5.045 19.376 25.613 1.00 26.79 C ATOM 2669 O ASP C 50 -5.154 18.141 25.687 1.00 29.10 O ATOM 2670 CB ASP C 50 -4.973 19.418 28.176 1.00 29.59 C ATOM 2671 CG ASP C 50 -6.246 18.569 28.371 1.00 33.32 C ATOM 2672 OD1 ASP C 50 -7.373 19.052 28.065 1.00 36.87 O ATOM 2673 OD2 ASP C 50 -6.114 17.415 28.855 1.00 39.16 O ATOM 0 H ASP C 50 -6.775 20.973 27.410 1.00 26.98 H new ATOM 0 HA ASP C 50 -4.167 20.766 26.839 1.00 28.28 H new ATOM 0 HB2 ASP C 50 -4.200 18.832 28.159 1.00 29.59 H new ATOM 0 HB3 ASP C 50 -4.865 20.008 28.938 1.00 29.59 H new ATOM 2674 N THR C 51 -4.918 20.029 24.450 1.00 25.73 N ATOM 2675 CA THR C 51 -5.113 19.386 23.162 1.00 24.75 C ATOM 2676 C THR C 51 -3.889 18.641 22.616 1.00 25.70 C ATOM 2677 O THR C 51 -4.019 17.872 21.636 1.00 25.42 O ATOM 2678 CB THR C 51 -5.537 20.445 22.110 1.00 23.55 C ATOM 2679 OG1 THR C 51 -4.727 21.612 22.234 1.00 20.42 O ATOM 2680 CG2 THR C 51 -6.985 20.900 22.348 1.00 22.13 C ATOM 0 H THR C 51 -4.715 20.863 24.395 1.00 25.73 H new ATOM 0 HA THR C 51 -5.801 18.719 23.316 1.00 24.75 H new ATOM 0 HB THR C 51 -5.441 20.035 21.236 1.00 23.55 H new ATOM 0 HG1 THR C 51 -4.045 21.533 21.750 1.00 20.42 H new ATOM 0 HG21 THR C 51 -7.231 21.561 21.681 1.00 22.13 H new ATOM 0 HG22 THR C 51 -7.580 20.137 22.280 1.00 22.13 H new ATOM 0 HG23 THR C 51 -7.060 21.291 23.233 1.00 22.13 H new ATOM 2681 N HIS C 52 -2.717 18.891 23.226 1.00 24.91 N ATOM 2682 CA HIS C 52 -1.446 18.263 22.772 1.00 26.73 C ATOM 2683 C HIS C 52 -0.978 18.862 21.458 1.00 25.18 C ATOM 2684 O HIS C 52 0.073 19.539 21.414 1.00 26.81 O ATOM 2685 CB HIS C 52 -1.565 16.741 22.617 1.00 27.59 C ATOM 2686 CG HIS C 52 -2.020 16.053 23.865 1.00 33.26 C ATOM 2687 ND1 HIS C 52 -1.356 16.183 25.069 1.00 36.88 N ATOM 2688 CD2 HIS C 52 -3.086 15.250 24.100 1.00 37.41 C ATOM 2689 CE1 HIS C 52 -1.998 15.487 25.994 1.00 39.79 C ATOM 2690 NE2 HIS C 52 -3.044 14.905 25.430 1.00 38.80 N ATOM 0 H HIS C 52 -2.631 19.417 23.901 1.00 24.91 H new ATOM 0 HA HIS C 52 -0.793 18.447 23.465 1.00 26.73 H new ATOM 0 HB2 HIS C 52 -2.188 16.543 21.900 1.00 27.59 H new ATOM 0 HB3 HIS C 52 -0.704 16.381 22.352 1.00 27.59 H new ATOM 0 HD2 HIS C 52 -3.725 14.983 23.479 1.00 37.41 H new ATOM 0 HE1 HIS C 52 -1.755 15.419 26.889 1.00 39.79 H new ATOM 0 HE2 HIS C 52 -3.607 14.393 25.831 1.00 38.80 H new ATOM 2691 N VAL C 53 -1.748 18.622 20.392 1.00 23.17 N ATOM 2692 CA VAL C 53 -1.583 19.420 19.173 1.00 21.12 C ATOM 2693 C VAL C 53 -1.980 20.841 19.500 1.00 19.46 C ATOM 2694 O VAL C 53 -2.617 21.098 20.520 1.00 20.02 O ATOM 2695 CB VAL C 53 -2.384 18.857 17.965 1.00 19.28 C ATOM 2696 CG1 VAL C 53 -2.104 17.388 17.762 1.00 21.52 C ATOM 2697 CG2 VAL C 53 -3.869 19.055 18.203 1.00 20.89 C ATOM 0 H VAL C 53 -2.358 18.017 20.353 1.00 23.17 H new ATOM 0 HA VAL C 53 -0.656 19.385 18.891 1.00 21.12 H new ATOM 0 HB VAL C 53 -2.107 19.336 17.168 1.00 19.28 H new ATOM 0 HG11 VAL C 53 -2.615 17.063 17.004 1.00 21.52 H new ATOM 0 HG12 VAL C 53 -1.158 17.259 17.593 1.00 21.52 H new ATOM 0 HG13 VAL C 53 -2.359 16.897 18.558 1.00 21.52 H new ATOM 0 HG21 VAL C 53 -4.367 18.703 17.449 1.00 20.89 H new ATOM 0 HG22 VAL C 53 -4.133 18.587 19.011 1.00 20.89 H new ATOM 0 HG23 VAL C 53 -4.058 20.001 18.302 1.00 20.89 H new ATOM 2698 N PRO C 54 -1.570 21.812 18.678 1.00 16.69 N ATOM 2699 CA PRO C 54 -1.929 23.196 18.982 1.00 15.67 C ATOM 2700 C PRO C 54 -3.438 23.462 19.245 1.00 16.00 C ATOM 2701 O PRO C 54 -4.311 23.018 18.482 1.00 15.05 O ATOM 2702 CB PRO C 54 -1.442 23.951 17.728 1.00 17.06 C ATOM 2703 CG PRO C 54 -0.228 23.157 17.348 1.00 16.43 C ATOM 2704 CD PRO C 54 -0.644 21.727 17.534 1.00 16.37 C ATOM 0 HA PRO C 54 -1.527 23.477 19.819 1.00 15.67 H new ATOM 0 HB2 PRO C 54 -2.109 23.956 17.024 1.00 17.06 H new ATOM 0 HB3 PRO C 54 -1.226 24.877 17.921 1.00 17.06 H new ATOM 0 HG2 PRO C 54 0.036 23.332 16.431 1.00 16.43 H new ATOM 0 HG3 PRO C 54 0.531 23.380 17.910 1.00 16.43 H new ATOM 0 HD2 PRO C 54 -1.078 21.371 16.743 1.00 16.37 H new ATOM 0 HD3 PRO C 54 0.114 21.152 17.724 1.00 16.37 H new ATOM 2705 N TYR C 55 -3.721 24.182 20.296 1.00 15.82 N ATOM 2706 CA TYR C 55 -5.072 24.584 20.630 1.00 16.37 C ATOM 2707 C TYR C 55 -5.557 25.722 19.743 1.00 16.28 C ATOM 2708 O TYR C 55 -4.863 26.738 19.539 1.00 18.97 O ATOM 2709 CB TYR C 55 -5.097 24.994 22.101 1.00 17.36 C ATOM 2710 CG TYR C 55 -6.406 25.607 22.538 1.00 18.24 C ATOM 2711 CD1 TYR C 55 -7.569 24.826 22.644 1.00 17.78 C ATOM 2712 CD2 TYR C 55 -6.497 26.972 22.845 1.00 17.86 C ATOM 2713 CE1 TYR C 55 -8.761 25.388 23.107 1.00 19.31 C ATOM 2714 CE2 TYR C 55 -7.674 27.546 23.262 1.00 20.82 C ATOM 2715 CZ TYR C 55 -8.819 26.738 23.378 1.00 16.91 C ATOM 2716 OH TYR C 55 -10.008 27.342 23.820 1.00 21.28 O ATOM 0 H TYR C 55 -3.127 24.461 20.852 1.00 15.82 H new ATOM 0 HA TYR C 55 -5.675 23.839 20.479 1.00 16.37 H new ATOM 0 HB2 TYR C 55 -4.915 24.214 22.649 1.00 17.36 H new ATOM 0 HB3 TYR C 55 -4.382 25.628 22.264 1.00 17.36 H new ATOM 0 HD1 TYR C 55 -7.545 23.928 22.404 1.00 17.78 H new ATOM 0 HD2 TYR C 55 -5.739 27.504 22.764 1.00 17.86 H new ATOM 0 HE1 TYR C 55 -9.512 24.854 23.232 1.00 19.31 H new ATOM 0 HE2 TYR C 55 -7.713 28.453 23.464 1.00 20.82 H new ATOM 0 HH TYR C 55 -9.824 27.998 24.311 1.00 21.28 H new ATOM 2717 N LEU C 56 -6.766 25.592 19.191 1.00 14.76 N ATOM 2718 CA LEU C 56 -7.401 26.634 18.406 1.00 15.47 C ATOM 2719 C LEU C 56 -8.381 27.470 19.234 1.00 15.13 C ATOM 2720 O LEU C 56 -9.410 26.959 19.682 1.00 16.18 O ATOM 2721 CB LEU C 56 -8.219 25.961 17.287 1.00 15.76 C ATOM 2722 CG LEU C 56 -8.914 26.967 16.354 1.00 17.82 C ATOM 2723 CD1 LEU C 56 -7.917 27.671 15.454 1.00 20.26 C ATOM 2724 CD2 LEU C 56 -9.896 26.213 15.451 1.00 18.28 C ATOM 0 H LEU C 56 -7.243 24.880 19.268 1.00 14.76 H new ATOM 0 HA LEU C 56 -6.702 27.215 18.067 1.00 15.47 H new ATOM 0 HB2 LEU C 56 -7.632 25.394 16.762 1.00 15.76 H new ATOM 0 HB3 LEU C 56 -8.888 25.384 17.686 1.00 15.76 H new ATOM 0 HG LEU C 56 -9.365 27.623 16.908 1.00 17.82 H new ATOM 0 HD11 LEU C 56 -8.385 28.297 14.879 1.00 20.26 H new ATOM 0 HD12 LEU C 56 -7.273 28.151 15.998 1.00 20.26 H new ATOM 0 HD13 LEU C 56 -7.454 27.016 14.908 1.00 20.26 H new ATOM 0 HD21 LEU C 56 -10.339 26.841 14.859 1.00 18.28 H new ATOM 0 HD22 LEU C 56 -9.413 25.558 14.924 1.00 18.28 H new ATOM 0 HD23 LEU C 56 -10.558 25.763 15.998 1.00 18.28 H new ATOM 2725 N ASP C 57 -8.097 28.748 19.464 1.00 17.27 N ATOM 2726 CA ASP C 57 -9.021 29.580 20.234 1.00 18.80 C ATOM 2727 C ASP C 57 -10.004 30.251 19.267 1.00 19.75 C ATOM 2728 O ASP C 57 -9.607 30.972 18.352 1.00 21.60 O ATOM 2729 CB ASP C 57 -8.209 30.601 21.034 1.00 18.94 C ATOM 2730 CG ASP C 57 -9.013 31.255 22.085 1.00 22.83 C ATOM 2731 OD1 ASP C 57 -10.270 31.244 22.032 1.00 25.68 O ATOM 2732 OD2 ASP C 57 -8.384 31.794 23.029 1.00 30.29 O ATOM 0 H ASP C 57 -7.388 29.149 19.189 1.00 17.27 H new ATOM 0 HA ASP C 57 -9.537 29.050 20.862 1.00 18.80 H new ATOM 0 HB2 ASP C 57 -7.447 30.159 21.440 1.00 18.94 H new ATOM 0 HB3 ASP C 57 -7.857 31.275 20.432 1.00 18.94 H new ATOM 2733 N VAL C 58 -11.288 29.956 19.411 1.00 17.66 N ATOM 2734 CA VAL C 58 -12.331 30.502 18.566 1.00 17.46 C ATOM 2735 C VAL C 58 -13.214 31.488 19.346 1.00 16.83 C ATOM 2736 O VAL C 58 -14.263 31.862 18.888 1.00 18.00 O ATOM 2737 CB VAL C 58 -13.214 29.407 17.870 1.00 17.28 C ATOM 2738 CG1 VAL C 58 -12.385 28.604 16.875 1.00 17.31 C ATOM 2739 CG2 VAL C 58 -13.942 28.491 18.873 1.00 16.40 C ATOM 0 H VAL C 58 -11.581 29.421 20.017 1.00 17.66 H new ATOM 0 HA VAL C 58 -11.873 30.977 17.855 1.00 17.46 H new ATOM 0 HB VAL C 58 -13.912 29.873 17.384 1.00 17.28 H new ATOM 0 HG11 VAL C 58 -12.945 27.933 16.454 1.00 17.31 H new ATOM 0 HG12 VAL C 58 -12.028 29.198 16.196 1.00 17.31 H new ATOM 0 HG13 VAL C 58 -11.653 28.169 17.340 1.00 17.31 H new ATOM 0 HG21 VAL C 58 -14.470 27.837 18.390 1.00 16.40 H new ATOM 0 HG22 VAL C 58 -13.290 28.034 19.427 1.00 16.40 H new ATOM 0 HG23 VAL C 58 -14.525 29.025 19.435 1.00 16.40 H new ATOM 2740 N GLY C 59 -12.781 31.850 20.545 1.00 16.28 N ATOM 2741 CA GLY C 59 -13.598 32.672 21.420 1.00 15.71 C ATOM 2742 C GLY C 59 -14.658 31.835 22.136 1.00 16.23 C ATOM 2743 O GLY C 59 -14.543 30.588 22.252 1.00 17.14 O ATOM 0 H GLY C 59 -12.016 31.629 20.870 1.00 16.28 H new ATOM 0 HA2 GLY C 59 -13.033 33.112 22.075 1.00 15.71 H new ATOM 0 HA3 GLY C 59 -14.029 33.370 20.902 1.00 15.71 H new ATOM 2744 N ARG C 60 -15.650 32.530 22.683 1.00 14.70 N ATOM 2745 CA ARG C 60 -16.662 31.882 23.512 1.00 14.02 C ATOM 2746 C ARG C 60 -17.869 31.493 22.661 1.00 13.42 C ATOM 2747 O ARG C 60 -18.563 32.365 22.125 1.00 14.73 O ATOM 2748 CB ARG C 60 -17.137 32.808 24.638 1.00 15.26 C ATOM 2749 CG ARG C 60 -17.941 32.033 25.690 1.00 18.74 C ATOM 2750 CD ARG C 60 -18.738 32.958 26.614 1.00 17.35 C ATOM 2751 NE ARG C 60 -19.967 33.431 25.935 1.00 19.70 N ATOM 2752 CZ ARG C 60 -20.191 34.661 25.460 1.00 20.15 C ATOM 2753 NH1 ARG C 60 -21.332 34.904 24.845 1.00 18.20 N ATOM 2754 NH2 ARG C 60 -19.293 35.666 25.569 1.00 22.51 N ATOM 0 H ARG C 60 -15.756 33.378 22.587 1.00 14.70 H new ATOM 0 HA ARG C 60 -16.256 31.092 23.901 1.00 14.02 H new ATOM 0 HB2 ARG C 60 -16.371 33.230 25.058 1.00 15.26 H new ATOM 0 HB3 ARG C 60 -17.684 33.518 24.267 1.00 15.26 H new ATOM 0 HG2 ARG C 60 -18.549 31.423 25.244 1.00 18.74 H new ATOM 0 HG3 ARG C 60 -17.336 31.492 26.221 1.00 18.74 H new ATOM 0 HD2 ARG C 60 -18.972 32.487 27.429 1.00 17.35 H new ATOM 0 HD3 ARG C 60 -18.191 33.717 26.872 1.00 17.35 H new ATOM 0 HE ARG C 60 -20.600 32.857 25.836 1.00 19.70 H new ATOM 0 HH11 ARG C 60 -21.914 34.278 24.756 1.00 18.20 H new ATOM 0 HH12 ARG C 60 -21.494 35.689 24.533 1.00 18.20 H new ATOM 0 HH21 ARG C 60 -18.538 35.528 25.958 1.00 22.51 H new ATOM 0 HH22 ARG C 60 -19.476 36.443 25.250 1.00 22.51 H new ATOM 2755 N ILE C 61 -18.092 30.194 22.568 1.00 11.53 N ATOM 2756 CA ILE C 61 -19.272 29.667 21.872 1.00 11.05 C ATOM 2757 C ILE C 61 -20.227 29.146 22.930 1.00 10.16 C ATOM 2758 O ILE C 61 -19.799 28.416 23.853 1.00 11.17 O ATOM 2759 CB ILE C 61 -18.861 28.519 20.961 1.00 10.27 C ATOM 2760 CG1 ILE C 61 -17.798 28.966 19.951 1.00 11.85 C ATOM 2761 CG2 ILE C 61 -20.114 27.910 20.268 1.00 10.68 C ATOM 2762 CD1 ILE C 61 -18.193 30.163 19.064 1.00 12.26 C ATOM 0 H ILE C 61 -17.575 29.592 22.900 1.00 11.53 H new ATOM 0 HA ILE C 61 -19.689 30.359 21.335 1.00 11.05 H new ATOM 0 HB ILE C 61 -18.454 27.822 21.499 1.00 10.27 H new ATOM 0 HG12 ILE C 61 -16.989 29.194 20.435 1.00 11.85 H new ATOM 0 HG13 ILE C 61 -17.582 28.214 19.377 1.00 11.85 H new ATOM 0 HG21 ILE C 61 -19.842 27.180 19.690 1.00 10.68 H new ATOM 0 HG22 ILE C 61 -20.727 27.577 20.942 1.00 10.68 H new ATOM 0 HG23 ILE C 61 -20.555 28.593 19.739 1.00 10.68 H new ATOM 0 HD11 ILE C 61 -17.463 30.373 18.460 1.00 12.26 H new ATOM 0 HD12 ILE C 61 -18.984 29.938 18.549 1.00 12.26 H new ATOM 0 HD13 ILE C 61 -18.381 30.933 19.624 1.00 12.26 H new ATOM 2763 N ASP C 62 -21.504 29.506 22.835 1.00 8.91 N ATOM 2764 CA ASP C 62 -22.460 29.146 23.867 1.00 8.45 C ATOM 2765 C ASP C 62 -23.228 27.872 23.619 1.00 7.45 C ATOM 2766 O ASP C 62 -23.609 27.167 24.549 1.00 9.34 O ATOM 2767 CB ASP C 62 -23.407 30.308 24.166 1.00 10.37 C ATOM 2768 CG ASP C 62 -22.664 31.538 24.649 1.00 11.05 C ATOM 2769 OD1 ASP C 62 -21.872 31.430 25.625 1.00 13.79 O ATOM 2770 OD2 ASP C 62 -22.814 32.610 24.059 1.00 11.36 O ATOM 0 H ASP C 62 -21.833 29.958 22.181 1.00 8.91 H new ATOM 0 HA ASP C 62 -21.918 28.958 24.649 1.00 8.45 H new ATOM 0 HB2 ASP C 62 -23.910 30.528 23.366 1.00 10.37 H new ATOM 0 HB3 ASP C 62 -24.050 30.035 24.839 1.00 10.37 H new ATOM 2771 N ALA C 63 -23.508 27.544 22.347 1.00 8.68 N ATOM 2772 CA ALA C 63 -24.261 26.323 22.055 1.00 8.20 C ATOM 2773 C ALA C 63 -23.870 25.854 20.669 1.00 7.88 C ATOM 2774 O ALA C 63 -23.278 26.635 19.880 1.00 8.18 O ATOM 2775 CB ALA C 63 -25.761 26.567 22.096 1.00 9.70 C ATOM 0 H ALA C 63 -23.276 28.005 21.659 1.00 8.68 H new ATOM 0 HA ALA C 63 -24.052 25.655 22.727 1.00 8.20 H new ATOM 0 HB1 ALA C 63 -26.229 25.741 21.899 1.00 9.70 H new ATOM 0 HB2 ALA C 63 -26.014 26.879 22.979 1.00 9.70 H new ATOM 0 HB3 ALA C 63 -25.998 27.238 21.436 1.00 9.70 H new ATOM 2776 N ILE C 64 -24.224 24.590 20.404 1.00 7.68 N ATOM 2777 CA ILE C 64 -23.994 23.975 19.089 1.00 7.59 C ATOM 2778 C ILE C 64 -25.359 23.548 18.589 1.00 7.32 C ATOM 2779 O ILE C 64 -26.088 22.860 19.291 1.00 8.21 O ATOM 2780 CB ILE C 64 -23.180 22.694 19.256 1.00 7.67 C ATOM 2781 CG1 ILE C 64 -21.860 22.955 19.969 1.00 12.75 C ATOM 2782 CG2 ILE C 64 -22.971 22.021 17.881 1.00 9.71 C ATOM 2783 CD1 ILE C 64 -20.974 23.874 19.345 1.00 14.70 C ATOM 0 H ILE C 64 -24.601 24.070 20.976 1.00 7.68 H new ATOM 0 HA ILE C 64 -23.534 24.591 18.498 1.00 7.59 H new ATOM 0 HB ILE C 64 -23.679 22.083 19.821 1.00 7.67 H new ATOM 0 HG12 ILE C 64 -22.056 23.280 20.861 1.00 12.75 H new ATOM 0 HG13 ILE C 64 -21.397 22.109 20.071 1.00 12.75 H new ATOM 0 HG21 ILE C 64 -22.454 21.208 17.994 1.00 9.71 H new ATOM 0 HG22 ILE C 64 -23.833 21.804 17.492 1.00 9.71 H new ATOM 0 HG23 ILE C 64 -22.495 22.628 17.293 1.00 9.71 H new ATOM 0 HD11 ILE C 64 -20.171 23.964 19.881 1.00 14.70 H new ATOM 0 HD12 ILE C 64 -20.738 23.548 18.462 1.00 14.70 H new ATOM 0 HD13 ILE C 64 -21.407 24.738 19.265 1.00 14.70 H new ATOM 2784 N GLY C 65 -25.744 23.981 17.395 1.00 6.99 N ATOM 2785 CA GLY C 65 -26.987 23.534 16.733 1.00 6.88 C ATOM 2786 C GLY C 65 -26.646 22.667 15.522 1.00 6.56 C ATOM 2787 O GLY C 65 -25.558 22.704 14.984 1.00 7.80 O ATOM 0 H GLY C 65 -25.293 24.549 16.933 1.00 6.99 H new ATOM 0 HA2 GLY C 65 -27.533 23.031 17.358 1.00 6.88 H new ATOM 0 HA3 GLY C 65 -27.509 24.302 16.454 1.00 6.88 H new ATOM 2788 N GLU C 66 -27.588 21.845 15.095 1.00 6.82 N ATOM 2789 CA GLU C 66 -27.352 20.982 13.926 1.00 6.41 C ATOM 2790 C GLU C 66 -28.691 20.666 13.321 1.00 6.10 C ATOM 2791 O GLU C 66 -29.655 20.327 14.015 1.00 6.74 O ATOM 2792 CB GLU C 66 -26.573 19.718 14.305 1.00 6.90 C ATOM 2793 CG GLU C 66 -26.121 18.905 13.053 1.00 8.20 C ATOM 2794 CD GLU C 66 -25.130 17.827 13.367 1.00 8.53 C ATOM 2795 OE1 GLU C 66 -24.715 17.650 14.545 1.00 10.23 O ATOM 2796 OE2 GLU C 66 -24.679 17.182 12.382 1.00 9.88 O ATOM 0 H GLU C 66 -28.365 21.764 15.455 1.00 6.82 H new ATOM 0 HA GLU C 66 -26.798 21.440 13.274 1.00 6.41 H new ATOM 0 HB2 GLU C 66 -25.793 19.965 14.827 1.00 6.90 H new ATOM 0 HB3 GLU C 66 -27.126 19.157 14.870 1.00 6.90 H new ATOM 0 HG2 GLU C 66 -26.901 18.506 12.636 1.00 8.20 H new ATOM 0 HG3 GLU C 66 -25.732 19.513 12.404 1.00 8.20 H new ATOM 2797 N CYS C 67 -28.745 20.737 11.975 1.00 6.13 N ATOM 2798 CA CYS C 67 -29.922 20.366 11.183 1.00 6.96 C ATOM 2799 C CYS C 67 -29.585 19.243 10.237 1.00 6.98 C ATOM 2800 O CYS C 67 -28.506 19.273 9.625 1.00 7.63 O ATOM 2801 CB CYS C 67 -30.372 21.558 10.353 1.00 7.82 C ATOM 2802 SG CYS C 67 -31.019 22.893 11.381 1.00 9.54 S ATOM 0 H CYS C 67 -28.084 21.007 11.496 1.00 6.13 H new ATOM 0 HA CYS C 67 -30.624 20.086 11.792 1.00 6.96 H new ATOM 0 HB2 CYS C 67 -29.625 21.887 9.830 1.00 7.82 H new ATOM 0 HB3 CYS C 67 -31.055 21.274 9.725 1.00 7.82 H new ATOM 0 HG CYS C 67 -31.701 23.619 10.712 1.00 9.54 H new ATOM 2803 N TRP C 68 -30.487 18.303 10.070 1.00 7.06 N ATOM 2804 CA TRP C 68 -30.397 17.204 9.114 1.00 6.58 C ATOM 2805 C TRP C 68 -31.547 17.329 8.098 1.00 7.68 C ATOM 2806 O TRP C 68 -32.701 17.544 8.513 1.00 8.34 O ATOM 2807 CB TRP C 68 -30.618 15.871 9.783 1.00 8.20 C ATOM 2808 CG TRP C 68 -29.513 15.338 10.696 1.00 8.14 C ATOM 2809 CD1 TRP C 68 -28.733 14.248 10.400 1.00 8.17 C ATOM 2810 CD2 TRP C 68 -29.092 15.807 12.004 1.00 6.89 C ATOM 2811 NE1 TRP C 68 -27.872 13.994 11.448 1.00 9.52 N ATOM 2812 CE2 TRP C 68 -28.073 14.925 12.437 1.00 7.93 C ATOM 2813 CE3 TRP C 68 -29.520 16.830 12.861 1.00 9.14 C ATOM 2814 CZ2 TRP C 68 -27.448 15.061 13.681 1.00 7.81 C ATOM 2815 CZ3 TRP C 68 -28.876 16.960 14.129 1.00 9.52 C ATOM 2816 CH2 TRP C 68 -27.875 16.046 14.503 1.00 8.91 C ATOM 0 H TRP C 68 -31.212 18.280 10.533 1.00 7.06 H new ATOM 0 HA TRP C 68 -29.517 17.250 8.709 1.00 6.58 H new ATOM 0 HB2 TRP C 68 -31.433 15.932 10.306 1.00 8.20 H new ATOM 0 HB3 TRP C 68 -30.775 15.212 9.089 1.00 8.20 H new ATOM 0 HD1 TRP C 68 -28.778 13.755 9.612 1.00 8.17 H new ATOM 0 HE1 TRP C 68 -27.299 13.353 11.477 1.00 9.52 H new ATOM 0 HE3 TRP C 68 -30.204 17.408 12.611 1.00 9.14 H new ATOM 0 HZ2 TRP C 68 -26.759 14.491 13.935 1.00 7.81 H new ATOM 0 HZ3 TRP C 68 -29.118 17.648 14.706 1.00 9.52 H new ATOM 0 HH2 TRP C 68 -27.492 16.122 15.347 1.00 8.91 H new ATOM 2817 N PHE C 69 -31.249 17.136 6.811 1.00 8.68 N ATOM 2818 CA PHE C 69 -32.293 17.119 5.750 1.00 9.64 C ATOM 2819 C PHE C 69 -32.067 15.858 4.963 1.00 9.00 C ATOM 2820 O PHE C 69 -30.933 15.561 4.551 1.00 10.04 O ATOM 2821 CB PHE C 69 -32.166 18.370 4.862 1.00 10.33 C ATOM 2822 CG PHE C 69 -32.074 19.625 5.609 1.00 7.45 C ATOM 2823 CD1 PHE C 69 -33.201 20.327 6.025 1.00 11.23 C ATOM 2824 CD2 PHE C 69 -30.821 20.086 5.975 1.00 8.39 C ATOM 2825 CE1 PHE C 69 -33.059 21.489 6.747 1.00 10.01 C ATOM 2826 CE2 PHE C 69 -30.650 21.281 6.687 1.00 8.44 C ATOM 2827 CZ PHE C 69 -31.818 21.961 7.093 1.00 9.62 C ATOM 0 H PHE C 69 -30.449 17.012 6.520 1.00 8.68 H new ATOM 0 HA PHE C 69 -33.189 17.133 6.122 1.00 9.64 H new ATOM 0 HB2 PHE C 69 -31.379 18.279 4.302 1.00 10.33 H new ATOM 0 HB3 PHE C 69 -32.932 18.413 4.269 1.00 10.33 H new ATOM 0 HD1 PHE C 69 -34.050 20.011 5.815 1.00 11.23 H new ATOM 0 HD2 PHE C 69 -30.071 19.588 5.742 1.00 8.39 H new ATOM 0 HE1 PHE C 69 -33.817 21.963 7.005 1.00 10.01 H new ATOM 0 HE2 PHE C 69 -29.803 21.612 6.883 1.00 8.44 H new ATOM 0 HZ PHE C 69 -31.746 22.737 7.600 1.00 9.62 H new ATOM 2828 N ALA C 70 -33.119 15.131 4.626 1.00 10.26 N ATOM 2829 CA ALA C 70 -33.004 13.806 3.990 1.00 12.04 C ATOM 2830 C ALA C 70 -32.634 13.927 2.537 1.00 11.82 C ATOM 2831 O ALA C 70 -32.118 12.964 1.987 1.00 15.04 O ATOM 2832 CB ALA C 70 -34.333 13.081 4.094 1.00 13.84 C ATOM 0 H ALA C 70 -33.930 15.385 4.756 1.00 10.26 H new ATOM 0 HA ALA C 70 -32.307 13.312 4.449 1.00 12.04 H new ATOM 0 HB1 ALA C 70 -34.260 12.209 3.676 1.00 13.84 H new ATOM 0 HB2 ALA C 70 -34.570 12.972 5.028 1.00 13.84 H new ATOM 0 HB3 ALA C 70 -35.020 13.598 3.644 1.00 13.84 H new ATOM 2833 N SER C 71 -32.840 15.063 1.900 1.00 10.78 N ATOM 2834 CA SER C 71 -32.633 15.199 0.406 1.00 11.69 C ATOM 2835 C SER C 71 -32.608 16.668 0.086 1.00 11.10 C ATOM 2836 O SER C 71 -33.038 17.528 0.884 1.00 9.70 O ATOM 2837 CB SER C 71 -33.743 14.523 -0.385 1.00 11.85 C ATOM 2838 OG SER C 71 -34.959 15.274 -0.184 1.00 14.23 O ATOM 0 H SER C 71 -33.100 15.786 2.286 1.00 10.78 H new ATOM 0 HA SER C 71 -31.802 14.766 0.158 1.00 11.69 H new ATOM 0 HB2 SER C 71 -33.516 14.492 -1.328 1.00 11.85 H new ATOM 0 HB3 SER C 71 -33.859 13.606 -0.090 1.00 11.85 H new ATOM 0 HG SER C 71 -35.622 14.782 -0.340 1.00 14.23 H new ATOM 2839 N GLU C 72 -32.142 17.038 -1.123 1.00 12.14 N ATOM 2840 CA AGLU C 72 -32.201 18.419 -1.521 0.50 12.12 C ATOM 2841 CA BGLU C 72 -32.206 18.357 -1.625 0.50 11.57 C ATOM 2842 C GLU C 72 -33.647 18.903 -1.677 1.00 10.47 C ATOM 2843 O GLU C 72 -33.875 20.077 -1.450 1.00 11.38 O ATOM 2844 CB AGLU C 72 -31.313 18.837 -2.745 0.50 13.18 C ATOM 2845 CB BGLU C 72 -31.506 18.411 -3.009 0.50 12.52 C ATOM 2846 CG AGLU C 72 -31.661 18.197 -4.048 0.50 16.01 C ATOM 2847 CG BGLU C 72 -30.032 18.069 -2.841 0.50 13.38 C ATOM 2848 CD AGLU C 72 -30.790 18.720 -5.181 0.50 22.02 C ATOM 2849 CD BGLU C 72 -29.286 17.948 -4.135 0.50 20.64 C ATOM 2850 OE1AGLU C 72 -31.347 19.063 -6.239 0.50 24.20 O ATOM 2851 OE1BGLU C 72 -29.877 18.150 -5.225 0.50 22.66 O ATOM 2852 OE2AGLU C 72 -29.558 18.803 -4.979 0.50 26.06 O ATOM 2853 OE2BGLU C 72 -28.083 17.623 -4.026 0.50 19.99 O ATOM 0 H AGLU C 72 -31.799 16.503 -1.702 0.50 12.14 H new ATOM 0 H BGLU C 72 -31.773 16.485 -1.668 0.50 12.14 H new ATOM 0 HA AGLU C 72 -31.787 18.884 -0.777 0.50 11.57 H new ATOM 0 HA BGLU C 72 -31.735 18.943 -1.012 0.50 11.57 H new ATOM 0 HB2AGLU C 72 -31.370 19.799 -2.851 0.50 12.52 H new ATOM 0 HB2BGLU C 72 -31.926 17.786 -3.620 0.50 12.52 H new ATOM 0 HB3AGLU C 72 -30.388 18.629 -2.538 0.50 12.52 H new ATOM 0 HB3BGLU C 72 -31.601 19.295 -3.397 0.50 12.52 H new ATOM 0 HG2AGLU C 72 -31.555 17.236 -3.975 0.50 13.38 H new ATOM 0 HG2BGLU C 72 -29.610 18.753 -2.297 0.50 13.38 H new ATOM 0 HG3AGLU C 72 -32.594 18.365 -4.253 0.50 13.38 H new ATOM 0 HG3BGLU C 72 -29.956 17.233 -2.355 0.50 13.38 H new ATOM 2854 N GLU C 73 -34.564 18.005 -2.050 1.00 11.00 N ATOM 2855 CA GLU C 73 -35.974 18.458 -2.146 1.00 10.48 C ATOM 2856 C GLU C 73 -36.479 18.828 -0.725 1.00 9.81 C ATOM 2857 O GLU C 73 -37.152 19.859 -0.583 1.00 9.42 O ATOM 2858 CB GLU C 73 -36.838 17.351 -2.662 1.00 10.52 C ATOM 2859 CG GLU C 73 -36.562 17.036 -4.125 1.00 13.20 C ATOM 2860 CD GLU C 73 -35.628 15.894 -4.382 1.00 14.02 C ATOM 2861 OE1 GLU C 73 -34.789 15.497 -3.563 1.00 12.24 O ATOM 2862 OE2 GLU C 73 -35.676 15.403 -5.543 1.00 12.31 O ATOM 0 H GLU C 73 -34.415 17.180 -2.242 1.00 11.00 H new ATOM 0 HA GLU C 73 -36.019 19.220 -2.745 1.00 10.48 H new ATOM 0 HB2 GLU C 73 -36.692 16.554 -2.129 1.00 10.52 H new ATOM 0 HB3 GLU C 73 -37.771 17.596 -2.556 1.00 10.52 H new ATOM 0 HG2 GLU C 73 -37.407 16.845 -4.562 1.00 13.20 H new ATOM 0 HG3 GLU C 73 -36.198 17.830 -4.546 1.00 13.20 H new ATOM 2863 N GLN C 74 -36.118 18.050 0.305 1.00 8.87 N ATOM 2864 CA AGLN C 74 -36.564 18.388 1.668 0.50 8.84 C ATOM 2865 CA BGLN C 74 -36.569 18.401 1.644 0.50 9.17 C ATOM 2866 C GLN C 74 -35.936 19.719 2.095 1.00 8.69 C ATOM 2867 O GLN C 74 -36.591 20.542 2.752 1.00 8.83 O ATOM 2868 CB AGLN C 74 -36.199 17.310 2.658 0.50 9.83 C ATOM 2869 CB BGLN C 74 -36.289 17.254 2.570 0.50 9.87 C ATOM 2870 CG AGLN C 74 -36.865 15.961 2.484 0.50 10.05 C ATOM 2871 CG BGLN C 74 -37.247 16.128 2.319 0.50 12.37 C ATOM 2872 CD AGLN C 74 -38.412 15.987 2.477 0.50 11.85 C ATOM 2873 CD BGLN C 74 -38.633 16.464 2.827 0.50 16.11 C ATOM 2874 OE1AGLN C 74 -39.045 15.040 1.992 0.50 19.79 O ATOM 2875 OE1BGLN C 74 -39.466 16.978 2.094 0.50 21.61 O ATOM 2876 NE2AGLN C 74 -39.019 17.048 3.020 0.50 11.15 N ATOM 2877 NE2BGLN C 74 -38.872 16.207 4.091 0.50 18.01 N ATOM 0 H AGLN C 74 -35.631 17.344 0.242 0.50 8.87 H new ATOM 0 H BGLN C 74 -35.631 17.343 0.248 0.50 8.87 H new ATOM 0 HA AGLN C 74 -37.531 18.464 1.658 0.50 9.17 H new ATOM 0 HA BGLN C 74 -37.527 18.553 1.652 0.50 9.17 H new ATOM 0 HB2AGLN C 74 -35.239 17.179 2.620 0.50 9.87 H new ATOM 0 HB2BGLN C 74 -35.378 16.945 2.444 0.50 9.87 H new ATOM 0 HB3AGLN C 74 -36.406 17.636 3.548 0.50 9.87 H new ATOM 0 HB3BGLN C 74 -36.363 17.550 3.491 0.50 9.87 H new ATOM 0 HG2AGLN C 74 -36.558 15.570 1.651 0.50 12.37 H new ATOM 0 HG2BGLN C 74 -37.285 15.939 1.368 0.50 12.37 H new ATOM 0 HG3AGLN C 74 -36.569 15.375 3.198 0.50 12.37 H new ATOM 0 HG3BGLN C 74 -36.926 15.324 2.756 0.50 12.37 H new ATOM 0 HE21AGLN C 74 -38.550 17.690 3.349 0.50 18.01 H new ATOM 0 HE21BGLN C 74 -38.263 15.845 4.579 0.50 18.01 H new ATOM 0 HE22AGLN C 74 -39.878 17.088 3.040 0.50 18.01 H new ATOM 0 HE22BGLN C 74 -39.637 16.401 4.432 0.50 18.01 H new ATOM 2878 N TYR C 75 -34.669 19.975 1.733 1.00 9.28 N ATOM 2879 CA TYR C 75 -34.119 21.257 2.024 1.00 8.73 C ATOM 2880 C TYR C 75 -34.852 22.406 1.393 1.00 8.94 C ATOM 2881 O TYR C 75 -35.048 23.456 1.993 1.00 9.61 O ATOM 2882 CB TYR C 75 -32.552 21.271 1.697 1.00 10.26 C ATOM 2883 CG TYR C 75 -31.888 22.553 2.091 1.00 10.75 C ATOM 2884 CD1 TYR C 75 -31.578 22.798 3.429 1.00 11.21 C ATOM 2885 CD2 TYR C 75 -31.613 23.566 1.157 1.00 12.84 C ATOM 2886 CE1 TYR C 75 -30.981 23.993 3.821 1.00 12.95 C ATOM 2887 CE2 TYR C 75 -31.017 24.756 1.559 1.00 15.37 C ATOM 2888 CZ TYR C 75 -30.728 24.964 2.902 1.00 12.32 C ATOM 2889 OH TYR C 75 -30.109 26.135 3.270 1.00 16.40 O ATOM 0 H TYR C 75 -34.144 19.425 1.332 1.00 9.28 H new ATOM 0 HA TYR C 75 -34.239 21.402 2.976 1.00 8.73 H new ATOM 0 HB2 TYR C 75 -32.123 20.534 2.159 1.00 10.26 H new ATOM 0 HB3 TYR C 75 -32.423 21.124 0.747 1.00 10.26 H new ATOM 0 HD1 TYR C 75 -31.773 22.153 4.069 1.00 11.21 H new ATOM 0 HD2 TYR C 75 -31.832 23.439 0.262 1.00 12.84 H new ATOM 0 HE1 TYR C 75 -30.755 24.128 4.713 1.00 12.95 H new ATOM 0 HE2 TYR C 75 -30.812 25.411 0.931 1.00 15.37 H new ATOM 0 HH TYR C 75 -30.109 26.668 2.621 1.00 16.40 H new ATOM 2890 N GLN C 76 -35.280 22.206 0.127 1.00 8.82 N ATOM 2891 CA GLN C 76 -36.076 23.278 -0.500 1.00 9.77 C ATOM 2892 C GLN C 76 -37.448 23.468 0.177 1.00 7.92 C ATOM 2893 O GLN C 76 -37.826 24.625 0.410 1.00 8.38 O ATOM 2894 CB GLN C 76 -36.287 22.936 -2.006 1.00 10.55 C ATOM 2895 CG GLN C 76 -37.152 23.980 -2.706 1.00 12.59 C ATOM 2896 CD GLN C 76 -37.343 23.752 -4.195 1.00 14.68 C ATOM 2897 OE1 GLN C 76 -36.515 23.073 -4.863 1.00 16.47 O ATOM 2898 NE2 GLN C 76 -38.453 24.304 -4.734 1.00 13.25 N ATOM 0 H GLN C 76 -35.132 21.508 -0.354 1.00 8.82 H new ATOM 0 HA GLN C 76 -35.586 24.109 -0.397 1.00 9.77 H new ATOM 0 HB2 GLN C 76 -35.426 22.879 -2.449 1.00 10.55 H new ATOM 0 HB3 GLN C 76 -36.705 22.064 -2.085 1.00 10.55 H new ATOM 0 HG2 GLN C 76 -38.023 23.999 -2.280 1.00 12.59 H new ATOM 0 HG3 GLN C 76 -36.753 24.854 -2.574 1.00 12.59 H new ATOM 0 HE21 GLN C 76 -38.990 24.759 -4.240 1.00 13.25 H new ATOM 0 HE22 GLN C 76 -38.622 24.200 -5.571 1.00 13.25 H new ATOM 2899 N VAL C 77 -38.080 22.363 0.547 1.00 8.47 N ATOM 2900 CA VAL C 77 -39.344 22.461 1.305 1.00 8.79 C ATOM 2901 C VAL C 77 -39.154 23.281 2.581 1.00 8.16 C ATOM 2902 O VAL C 77 -39.932 24.166 2.932 1.00 8.71 O ATOM 2903 CB VAL C 77 -39.864 21.083 1.612 1.00 8.39 C ATOM 2904 CG1 VAL C 77 -40.946 21.097 2.642 1.00 9.75 C ATOM 2905 CG2 VAL C 77 -40.396 20.331 0.357 1.00 9.21 C ATOM 0 H VAL C 77 -37.812 21.563 0.380 1.00 8.47 H new ATOM 0 HA VAL C 77 -40.001 22.923 0.761 1.00 8.79 H new ATOM 0 HB VAL C 77 -39.091 20.609 1.956 1.00 8.39 H new ATOM 0 HG11 VAL C 77 -41.248 20.190 2.806 1.00 9.75 H new ATOM 0 HG12 VAL C 77 -40.604 21.477 3.466 1.00 9.75 H new ATOM 0 HG13 VAL C 77 -41.689 21.633 2.323 1.00 9.75 H new ATOM 0 HG21 VAL C 77 -40.716 19.453 0.617 1.00 9.21 H new ATOM 0 HG22 VAL C 77 -41.124 20.836 -0.039 1.00 9.21 H new ATOM 0 HG23 VAL C 77 -39.680 20.235 -0.291 1.00 9.21 H new ATOM 2906 N TYR C 78 -38.063 22.963 3.292 1.00 8.14 N ATOM 2907 CA TYR C 78 -37.712 23.698 4.542 1.00 8.41 C ATOM 2908 C TYR C 78 -37.494 25.168 4.274 1.00 7.32 C ATOM 2909 O TYR C 78 -38.021 26.071 4.977 1.00 8.82 O ATOM 2910 CB TYR C 78 -36.480 22.995 5.062 1.00 8.07 C ATOM 2911 CG TYR C 78 -35.664 23.708 6.142 1.00 8.58 C ATOM 2912 CD1 TYR C 78 -36.026 23.610 7.489 1.00 8.87 C ATOM 2913 CD2 TYR C 78 -34.534 24.445 5.802 1.00 9.59 C ATOM 2914 CE1 TYR C 78 -35.193 24.131 8.463 1.00 10.64 C ATOM 2915 CE2 TYR C 78 -33.718 25.028 6.805 1.00 9.08 C ATOM 2916 CZ TYR C 78 -34.098 24.838 8.086 1.00 10.17 C ATOM 2917 OH TYR C 78 -33.255 25.311 9.092 1.00 12.46 O ATOM 0 H TYR C 78 -37.514 22.336 3.080 1.00 8.14 H new ATOM 0 HA TYR C 78 -38.424 23.683 5.201 1.00 8.41 H new ATOM 0 HB2 TYR C 78 -36.753 22.133 5.413 1.00 8.07 H new ATOM 0 HB3 TYR C 78 -35.894 22.822 4.309 1.00 8.07 H new ATOM 0 HD1 TYR C 78 -36.824 23.196 7.729 1.00 8.87 H new ATOM 0 HD2 TYR C 78 -34.311 24.557 4.906 1.00 9.59 H new ATOM 0 HE1 TYR C 78 -35.381 23.998 9.364 1.00 10.64 H new ATOM 0 HE2 TYR C 78 -32.957 25.518 6.590 1.00 9.08 H new ATOM 0 HH TYR C 78 -32.483 25.425 8.780 1.00 12.46 H new ATOM 2918 N AMET C 79 -36.707 25.552 3.247 0.50 8.01 N ATOM 2919 N BMET C 79 -36.704 25.426 3.220 0.50 8.40 N ATOM 2920 CA AMET C 79 -36.503 26.990 3.039 0.50 8.31 C ATOM 2921 CA BMET C 79 -36.392 26.772 2.834 0.50 8.62 C ATOM 2922 C AMET C 79 -37.812 27.717 2.654 0.50 8.82 C ATOM 2923 C BMET C 79 -37.623 27.637 2.450 0.50 9.85 C ATOM 2924 O AMET C 79 -38.011 28.892 2.985 0.50 9.55 O ATOM 2925 O BMET C 79 -37.583 28.839 2.626 0.50 10.35 O ATOM 2926 CB AMET C 79 -35.383 27.272 2.017 0.50 8.81 C ATOM 2927 CB BMET C 79 -35.400 26.738 1.652 0.50 8.10 C ATOM 2928 CG AMET C 79 -34.048 26.798 2.508 0.50 12.61 C ATOM 2929 CG BMET C 79 -33.910 26.486 2.004 0.50 11.42 C ATOM 2930 SD AMET C 79 -33.569 27.608 4.094 0.50 11.77 S ATOM 2931 SD BMET C 79 -33.233 27.406 3.412 0.50 16.04 S ATOM 2932 CE AMET C 79 -33.320 29.274 3.522 0.50 17.43 C ATOM 2933 CE BMET C 79 -33.567 29.078 2.886 0.50 18.56 C ATOM 0 H AMET C 79 -36.308 25.028 2.694 0.50 8.40 H new ATOM 0 H BMET C 79 -36.346 24.820 2.725 0.50 8.40 H new ATOM 0 HA AMET C 79 -36.216 27.352 3.892 0.50 8.62 H new ATOM 0 HA BMET C 79 -36.006 27.196 3.616 0.50 8.62 H new ATOM 0 HB2AMET C 79 -35.593 26.833 1.178 0.50 8.10 H new ATOM 0 HB2BMET C 79 -35.687 26.047 1.035 0.50 8.10 H new ATOM 0 HB3AMET C 79 -35.342 28.224 1.837 0.50 8.10 H new ATOM 0 HB3BMET C 79 -35.461 27.583 1.180 0.50 8.10 H new ATOM 0 HG2AMET C 79 -34.072 25.836 2.631 0.50 11.42 H new ATOM 0 HG2BMET C 79 -33.797 25.539 2.180 0.50 11.42 H new ATOM 0 HG3AMET C 79 -33.373 26.981 1.836 0.50 11.42 H new ATOM 0 HG3BMET C 79 -33.376 26.695 1.222 0.50 11.42 H new ATOM 0 HE1AMET C 79 -32.808 29.769 4.181 0.50 18.56 H new ATOM 0 HE1BMET C 79 -33.153 29.701 3.504 0.50 18.56 H new ATOM 0 HE2AMET C 79 -32.836 29.259 2.682 0.50 18.56 H new ATOM 0 HE2BMET C 79 -33.204 29.216 1.997 0.50 18.56 H new ATOM 0 HE3AMET C 79 -34.180 29.703 3.391 0.50 18.56 H new ATOM 0 HE3BMET C 79 -34.525 29.227 2.870 0.50 18.56 H new ATOM 2934 N GLU C 80 -38.691 26.994 1.953 1.00 9.80 N ATOM 2935 CA GLU C 80 -39.949 27.665 1.531 1.00 10.17 C ATOM 2936 C GLU C 80 -40.926 27.837 2.700 1.00 11.16 C ATOM 2937 O GLU C 80 -41.915 28.580 2.594 1.00 11.76 O ATOM 2938 CB GLU C 80 -40.611 26.747 0.504 1.00 10.06 C ATOM 2939 CG GLU C 80 -39.947 26.794 -0.847 1.00 9.78 C ATOM 2940 CD GLU C 80 -40.459 25.759 -1.810 1.00 9.58 C ATOM 2941 OE1 GLU C 80 -41.170 24.825 -1.443 1.00 10.51 O ATOM 2942 OE2 GLU C 80 -40.080 25.903 -3.022 1.00 13.18 O ATOM 0 H AGLU C 80 -38.599 26.171 1.720 0.50 9.80 H new ATOM 0 H BGLU C 80 -38.711 26.141 1.848 0.50 9.80 H new ATOM 0 HA GLU C 80 -39.739 28.545 1.181 1.00 10.17 H new ATOM 0 HB2 GLU C 80 -40.594 25.835 0.835 1.00 10.06 H new ATOM 0 HB3 GLU C 80 -41.543 26.997 0.409 1.00 10.06 H new ATOM 0 HG2 GLU C 80 -40.078 27.675 -1.232 1.00 9.78 H new ATOM 0 HG3 GLU C 80 -38.991 26.673 -0.733 1.00 9.78 H new ATOM 2943 N SER C 81 -40.714 27.175 3.842 1.00 9.39 N ATOM 2944 CA SER C 81 -41.784 27.077 4.867 1.00 9.96 C ATOM 2945 C SER C 81 -42.000 28.311 5.719 1.00 11.02 C ATOM 2946 O SER C 81 -41.059 28.859 6.278 1.00 10.66 O ATOM 2947 CB SER C 81 -41.450 25.897 5.771 1.00 11.36 C ATOM 2948 OG SER C 81 -42.079 25.944 7.059 1.00 12.80 O ATOM 0 H SER C 81 -39.978 26.781 4.048 1.00 9.39 H new ATOM 0 HA SER C 81 -42.616 26.966 4.381 1.00 9.96 H new ATOM 0 HB2 SER C 81 -41.712 25.077 5.325 1.00 11.36 H new ATOM 0 HB3 SER C 81 -40.489 25.859 5.893 1.00 11.36 H new ATOM 0 HG SER C 81 -41.664 25.445 7.592 1.00 12.80 H new ATOM 2949 N ASP C 82 -43.258 28.689 5.864 1.00 10.71 N ATOM 2950 CA ASP C 82 -43.634 29.824 6.727 1.00 11.74 C ATOM 2951 C ASP C 82 -43.242 29.514 8.185 1.00 10.16 C ATOM 2952 O ASP C 82 -42.771 30.437 8.872 1.00 10.39 O ATOM 2953 CB ASP C 82 -45.164 30.053 6.648 1.00 13.14 C ATOM 2954 CG ASP C 82 -45.629 30.655 5.302 1.00 16.31 C ATOM 2955 OD1 ASP C 82 -44.873 31.345 4.632 1.00 20.61 O ATOM 2956 OD2 ASP C 82 -46.831 30.445 5.088 1.00 24.16 O ATOM 0 H ASP C 82 -43.922 28.306 5.473 1.00 10.71 H new ATOM 0 HA ASP C 82 -43.170 30.621 6.427 1.00 11.74 H new ATOM 0 HB2 ASP C 82 -45.618 29.208 6.790 1.00 13.14 H new ATOM 0 HB3 ASP C 82 -45.433 30.644 7.369 1.00 13.14 H new ATOM 2957 N ILE C 83 -43.443 28.311 8.653 1.00 10.41 N ATOM 2958 CA ILE C 83 -43.105 28.037 10.088 1.00 9.24 C ATOM 2959 C ILE C 83 -41.578 28.047 10.256 1.00 10.38 C ATOM 2960 O ILE C 83 -41.114 28.519 11.277 1.00 9.93 O ATOM 2961 CB ILE C 83 -43.803 26.799 10.675 1.00 10.72 C ATOM 2962 CG1 ILE C 83 -43.775 26.811 12.222 1.00 10.85 C ATOM 2963 CG2 ILE C 83 -43.195 25.535 10.194 1.00 12.70 C ATOM 2964 CD1 ILE C 83 -44.678 27.853 12.821 1.00 12.31 C ATOM 0 H ILE C 83 -43.758 27.646 8.207 1.00 10.41 H new ATOM 0 HA ILE C 83 -43.471 28.753 10.630 1.00 9.24 H new ATOM 0 HB ILE C 83 -44.722 26.840 10.369 1.00 10.72 H new ATOM 0 HG12 ILE C 83 -44.036 25.937 12.551 1.00 10.85 H new ATOM 0 HG13 ILE C 83 -42.866 26.967 12.522 1.00 10.85 H new ATOM 0 HG21 ILE C 83 -43.663 24.781 10.586 1.00 12.70 H new ATOM 0 HG22 ILE C 83 -43.263 25.490 9.227 1.00 12.70 H new ATOM 0 HG23 ILE C 83 -42.261 25.506 10.453 1.00 12.70 H new ATOM 0 HD11 ILE C 83 -44.620 27.814 13.788 1.00 12.31 H new ATOM 0 HD12 ILE C 83 -44.405 28.732 12.516 1.00 12.31 H new ATOM 0 HD13 ILE C 83 -45.593 27.686 12.546 1.00 12.31 H new ATOM 2965 N ARG C 84 -40.797 27.636 9.252 1.00 9.68 N ATOM 2966 CA ARG C 84 -39.329 27.814 9.347 1.00 10.55 C ATOM 2967 C ARG C 84 -38.994 29.266 9.439 1.00 9.73 C ATOM 2968 O ARG C 84 -38.150 29.701 10.286 1.00 10.11 O ATOM 2969 CB ARG C 84 -38.562 27.234 8.171 1.00 12.30 C ATOM 2970 CG ARG C 84 -37.064 27.464 8.441 1.00 15.31 C ATOM 2971 CD ARG C 84 -36.221 27.476 7.318 1.00 15.87 C ATOM 2972 NE ARG C 84 -36.671 28.331 6.237 1.00 12.49 N ATOM 2973 CZ ARG C 84 -36.309 29.587 6.081 1.00 13.01 C ATOM 2974 NH1 ARG C 84 -35.593 30.215 7.041 1.00 14.24 N ATOM 2975 NH2 ARG C 84 -36.648 30.240 5.004 1.00 15.85 N ATOM 0 H ARG C 84 -41.077 27.264 8.529 1.00 9.68 H new ATOM 0 HA ARG C 84 -39.061 27.331 10.144 1.00 10.55 H new ATOM 0 HB2 ARG C 84 -38.750 26.287 8.074 1.00 12.30 H new ATOM 0 HB3 ARG C 84 -38.830 27.663 7.343 1.00 12.30 H new ATOM 0 HG2 ARG C 84 -36.965 28.311 8.904 1.00 15.31 H new ATOM 0 HG3 ARG C 84 -36.754 26.772 9.046 1.00 15.31 H new ATOM 0 HD2 ARG C 84 -35.337 27.762 7.595 1.00 15.87 H new ATOM 0 HD3 ARG C 84 -36.134 26.570 6.983 1.00 15.87 H new ATOM 0 HE ARG C 84 -37.211 27.995 5.658 1.00 12.49 H new ATOM 0 HH11 ARG C 84 -35.372 29.794 7.757 1.00 14.24 H new ATOM 0 HH12 ARG C 84 -35.359 31.036 6.935 1.00 14.24 H new ATOM 0 HH21 ARG C 84 -37.110 29.850 4.392 1.00 15.85 H new ATOM 0 HH22 ARG C 84 -36.410 31.060 4.906 1.00 15.85 H new ATOM 2976 N LYS C 85 -39.618 30.132 8.635 1.00 10.13 N ATOM 2977 CA LYS C 85 -39.309 31.540 8.739 1.00 10.00 C ATOM 2978 C LYS C 85 -39.668 32.110 10.117 1.00 10.53 C ATOM 2979 O LYS C 85 -38.867 32.915 10.705 1.00 12.05 O ATOM 2980 CB LYS C 85 -40.032 32.286 7.597 1.00 12.62 C ATOM 2981 CG LYS C 85 -39.444 31.913 6.256 1.00 14.51 C ATOM 2982 CD LYS C 85 -40.315 32.488 5.096 1.00 16.85 C ATOM 2983 CE LYS C 85 -39.846 31.886 3.743 1.00 17.44 C ATOM 2984 NZ LYS C 85 -40.788 32.384 2.659 1.00 22.08 N ATOM 0 H LYS C 85 -40.205 29.924 8.042 1.00 10.13 H new ATOM 0 HA LYS C 85 -38.351 31.665 8.648 1.00 10.00 H new ATOM 0 HB2 LYS C 85 -40.978 32.070 7.612 1.00 12.62 H new ATOM 0 HB3 LYS C 85 -39.958 33.244 7.732 1.00 12.62 H new ATOM 0 HG2 LYS C 85 -38.539 32.255 6.188 1.00 14.51 H new ATOM 0 HG3 LYS C 85 -39.389 30.948 6.178 1.00 14.51 H new ATOM 0 HD2 LYS C 85 -41.250 32.278 5.247 1.00 16.85 H new ATOM 0 HD3 LYS C 85 -40.241 33.455 5.073 1.00 16.85 H new ATOM 0 HE2 LYS C 85 -38.934 32.154 3.550 1.00 17.44 H new ATOM 0 HE3 LYS C 85 -39.855 30.917 3.781 1.00 17.44 H new ATOM 0 HZ1 LYS C 85 -40.521 32.074 1.868 1.00 22.08 H new ATOM 0 HZ2 LYS C 85 -41.613 32.096 2.827 1.00 22.08 H new ATOM 0 HZ3 LYS C 85 -40.782 33.274 2.646 1.00 22.08 H new ATOM 2985 N ALA C 86 -40.757 31.644 10.710 1.00 9.06 N ATOM 2986 CA ALA C 86 -41.138 32.069 12.096 1.00 9.11 C ATOM 2987 C ALA C 86 -40.117 31.535 13.116 1.00 8.85 C ATOM 2988 O ALA C 86 -39.772 32.240 14.069 1.00 10.37 O ATOM 2989 CB ALA C 86 -42.523 31.626 12.450 1.00 10.66 C ATOM 0 H ALA C 86 -41.299 31.084 10.348 1.00 9.06 H new ATOM 0 HA ALA C 86 -41.130 33.039 12.122 1.00 9.11 H new ATOM 0 HB1 ALA C 86 -42.736 31.917 13.351 1.00 10.66 H new ATOM 0 HB2 ALA C 86 -43.157 32.015 11.827 1.00 10.66 H new ATOM 0 HB3 ALA C 86 -42.576 30.659 12.402 1.00 10.66 H new ATOM 2990 N TRP C 87 -39.641 30.298 12.912 1.00 8.97 N ATOM 2991 CA TRP C 87 -38.598 29.710 13.768 1.00 7.59 C ATOM 2992 C TRP C 87 -37.374 30.584 13.713 1.00 9.15 C ATOM 2993 O TRP C 87 -36.770 30.899 14.762 1.00 8.99 O ATOM 2994 CB TRP C 87 -38.320 28.347 13.193 1.00 9.06 C ATOM 2995 CG TRP C 87 -37.441 27.449 14.053 1.00 8.24 C ATOM 2996 CD1 TRP C 87 -37.603 27.148 15.416 1.00 8.43 C ATOM 2997 CD2 TRP C 87 -36.368 26.610 13.575 1.00 8.07 C ATOM 2998 NE1 TRP C 87 -36.634 26.234 15.792 1.00 7.54 N ATOM 2999 CE2 TRP C 87 -35.893 25.867 14.687 1.00 8.58 C ATOM 3000 CE3 TRP C 87 -35.759 26.446 12.331 1.00 8.84 C ATOM 3001 CZ2 TRP C 87 -34.819 24.984 14.576 1.00 9.79 C ATOM 3002 CZ3 TRP C 87 -34.745 25.541 12.192 1.00 11.19 C ATOM 3003 CH2 TRP C 87 -34.233 24.822 13.328 1.00 10.18 C ATOM 0 H TRP C 87 -39.911 29.781 12.280 1.00 8.97 H new ATOM 0 HA TRP C 87 -38.867 29.641 14.697 1.00 7.59 H new ATOM 0 HB2 TRP C 87 -39.166 27.897 13.040 1.00 9.06 H new ATOM 0 HB3 TRP C 87 -37.897 28.457 12.327 1.00 9.06 H new ATOM 0 HD1 TRP C 87 -38.255 27.505 15.975 1.00 8.43 H new ATOM 0 HE1 TRP C 87 -36.512 25.940 16.591 1.00 7.54 H new ATOM 0 HE3 TRP C 87 -36.041 26.949 11.601 1.00 8.84 H new ATOM 0 HZ2 TRP C 87 -34.505 24.517 15.316 1.00 9.79 H new ATOM 0 HZ3 TRP C 87 -34.380 25.387 11.350 1.00 11.19 H new ATOM 0 HH2 TRP C 87 -33.508 24.248 13.226 1.00 10.18 H new ATOM 3004 N PHE C 88 -36.947 30.996 12.519 1.00 10.06 N ATOM 3005 CA PHE C 88 -35.802 31.879 12.404 1.00 10.05 C ATOM 3006 C PHE C 88 -36.047 33.215 13.062 1.00 10.81 C ATOM 3007 O PHE C 88 -35.050 33.805 13.554 1.00 12.66 O ATOM 3008 CB PHE C 88 -35.394 32.125 10.959 1.00 10.94 C ATOM 3009 CG PHE C 88 -34.514 31.045 10.354 1.00 10.31 C ATOM 3010 CD1 PHE C 88 -34.724 29.670 10.568 1.00 11.43 C ATOM 3011 CD2 PHE C 88 -33.486 31.408 9.484 1.00 14.77 C ATOM 3012 CE1 PHE C 88 -33.932 28.706 9.935 1.00 12.75 C ATOM 3013 CE2 PHE C 88 -32.713 30.438 8.857 1.00 14.16 C ATOM 3014 CZ PHE C 88 -32.903 29.108 9.091 1.00 12.64 C ATOM 0 H PHE C 88 -37.308 30.774 11.771 1.00 10.06 H new ATOM 0 HA PHE C 88 -35.082 31.417 12.862 1.00 10.05 H new ATOM 0 HB2 PHE C 88 -36.196 32.211 10.420 1.00 10.94 H new ATOM 0 HB3 PHE C 88 -34.925 32.973 10.908 1.00 10.94 H new ATOM 0 HD1 PHE C 88 -35.403 29.397 11.142 1.00 11.43 H new ATOM 0 HD2 PHE C 88 -33.316 32.308 9.322 1.00 14.77 H new ATOM 0 HE1 PHE C 88 -34.093 27.801 10.078 1.00 12.75 H new ATOM 0 HE2 PHE C 88 -32.049 30.703 8.262 1.00 14.16 H new ATOM 0 HZ PHE C 88 -32.350 28.477 8.690 1.00 12.64 H new ATOM 3015 N GLU C 89 -37.294 33.718 13.173 1.00 11.52 N ATOM 3016 CA GLU C 89 -37.506 34.923 13.945 1.00 13.39 C ATOM 3017 C GLU C 89 -37.245 34.703 15.442 1.00 12.99 C ATOM 3018 O GLU C 89 -36.697 35.602 16.129 1.00 13.74 O ATOM 3019 CB GLU C 89 -38.899 35.499 13.718 1.00 14.52 C ATOM 3020 CG GLU C 89 -39.063 35.890 12.240 1.00 21.04 C ATOM 3021 CD GLU C 89 -38.204 37.092 11.912 1.00 25.86 C ATOM 3022 OE1 GLU C 89 -38.205 38.051 12.719 1.00 31.69 O ATOM 3023 OE2 GLU C 89 -37.522 37.070 10.880 1.00 33.05 O ATOM 0 H GLU C 89 -37.999 33.378 12.816 1.00 11.52 H new ATOM 0 HA GLU C 89 -36.858 35.572 13.628 1.00 13.39 H new ATOM 0 HB2 GLU C 89 -39.573 34.847 13.966 1.00 14.52 H new ATOM 0 HB3 GLU C 89 -39.034 36.275 14.284 1.00 14.52 H new ATOM 0 HG2 GLU C 89 -38.815 35.143 11.673 1.00 21.04 H new ATOM 0 HG3 GLU C 89 -39.994 36.090 12.054 1.00 21.04 H new ATOM 3024 N HIS C 90 -37.604 33.517 15.954 1.00 11.52 N ATOM 3025 CA HIS C 90 -37.180 33.135 17.289 1.00 10.06 C ATOM 3026 C HIS C 90 -35.649 33.082 17.416 1.00 10.87 C ATOM 3027 O HIS C 90 -35.078 33.593 18.392 1.00 10.45 O ATOM 3028 CB HIS C 90 -37.811 31.855 17.747 1.00 9.74 C ATOM 3029 CG HIS C 90 -37.394 31.493 19.125 1.00 9.19 C ATOM 3030 ND1 HIS C 90 -36.624 30.389 19.357 1.00 10.13 N ATOM 3031 CD2 HIS C 90 -37.579 32.099 20.331 1.00 11.70 C ATOM 3032 CE1 HIS C 90 -36.351 30.304 20.651 1.00 10.85 C ATOM 3033 NE2 HIS C 90 -36.919 31.333 21.262 1.00 11.49 N ATOM 0 H HIS C 90 -38.085 32.934 15.545 1.00 11.52 H new ATOM 0 HA HIS C 90 -37.496 33.834 17.883 1.00 10.06 H new ATOM 0 HB2 HIS C 90 -38.777 31.941 17.714 1.00 9.74 H new ATOM 0 HB3 HIS C 90 -37.569 31.140 17.138 1.00 9.74 H new ATOM 0 HD2 HIS C 90 -38.059 32.879 20.493 1.00 11.70 H new ATOM 0 HE1 HIS C 90 -35.848 29.637 21.060 1.00 10.85 H new ATOM 0 HE2 HIS C 90 -36.881 31.496 22.106 1.00 11.49 H new ATOM 3034 N GLY C 91 -34.966 32.592 16.403 1.00 10.04 N ATOM 3035 CA GLY C 91 -33.532 32.618 16.365 1.00 10.18 C ATOM 3036 C GLY C 91 -32.973 34.028 16.467 1.00 11.22 C ATOM 3037 O GLY C 91 -31.942 34.234 17.137 1.00 12.16 O ATOM 0 H GLY C 91 -35.330 32.232 15.712 1.00 10.04 H new ATOM 0 HA2 GLY C 91 -33.182 32.081 17.093 1.00 10.18 H new ATOM 0 HA3 GLY C 91 -33.226 32.211 15.540 1.00 10.18 H new ATOM 3038 N LYS C 92 -33.588 35.005 15.815 1.00 13.62 N ATOM 3039 CA LYS C 92 -33.090 36.364 15.912 1.00 14.77 C ATOM 3040 C LYS C 92 -33.180 36.878 17.337 1.00 14.37 C ATOM 3041 O LYS C 92 -32.354 37.725 17.745 1.00 16.14 O ATOM 3042 CB LYS C 92 -33.893 37.296 15.017 1.00 16.16 C ATOM 3043 CG LYS C 92 -33.633 37.113 13.555 1.00 21.85 C ATOM 3044 CD LYS C 92 -34.544 38.047 12.734 1.00 26.27 C ATOM 3045 CE LYS C 92 -34.285 37.873 11.246 1.00 29.72 C ATOM 3046 NZ LYS C 92 -35.344 38.528 10.435 1.00 32.97 N ATOM 0 H LYS C 92 -34.284 34.904 15.319 1.00 13.62 H new ATOM 0 HA LYS C 92 -32.162 36.350 15.629 1.00 14.77 H new ATOM 0 HB2 LYS C 92 -34.838 37.158 15.187 1.00 16.16 H new ATOM 0 HB3 LYS C 92 -33.692 38.214 15.259 1.00 16.16 H new ATOM 0 HG2 LYS C 92 -32.702 37.303 13.359 1.00 21.85 H new ATOM 0 HG3 LYS C 92 -33.794 36.190 13.304 1.00 21.85 H new ATOM 0 HD2 LYS C 92 -35.474 37.855 12.930 1.00 26.27 H new ATOM 0 HD3 LYS C 92 -34.385 38.969 12.990 1.00 26.27 H new ATOM 0 HE2 LYS C 92 -33.421 38.251 11.019 1.00 29.72 H new ATOM 0 HE3 LYS C 92 -34.247 36.928 11.030 1.00 29.72 H new ATOM 0 HZ1 LYS C 92 -35.194 38.375 9.571 1.00 32.97 H new ATOM 0 HZ2 LYS C 92 -36.139 38.197 10.661 1.00 32.97 H new ATOM 0 HZ3 LYS C 92 -35.335 39.405 10.587 1.00 32.97 H new ATOM 3047 N TYR C 93 -34.117 36.359 18.122 1.00 12.99 N ATOM 3048 CA TYR C 93 -34.242 36.754 19.552 1.00 13.50 C ATOM 3049 C TYR C 93 -33.129 36.169 20.400 1.00 13.44 C ATOM 3050 O TYR C 93 -32.581 36.871 21.268 1.00 16.05 O ATOM 3051 CB TYR C 93 -35.619 36.326 20.119 1.00 15.25 C ATOM 3052 CG TYR C 93 -35.839 36.499 21.612 1.00 15.53 C ATOM 3053 CD1 TYR C 93 -35.693 37.758 22.198 1.00 23.77 C ATOM 3054 CD2 TYR C 93 -36.209 35.431 22.412 1.00 20.65 C ATOM 3055 CE1 TYR C 93 -35.881 37.915 23.561 1.00 24.47 C ATOM 3056 CE2 TYR C 93 -36.432 35.578 23.764 1.00 22.78 C ATOM 3057 CZ TYR C 93 -36.286 36.823 24.312 1.00 25.94 C ATOM 3058 OH TYR C 93 -36.512 36.970 25.645 1.00 31.55 O ATOM 0 H TYR C 93 -34.695 35.778 17.861 1.00 12.99 H new ATOM 0 HA TYR C 93 -34.168 37.720 19.589 1.00 13.50 H new ATOM 0 HB2 TYR C 93 -36.305 36.829 19.654 1.00 15.25 H new ATOM 0 HB3 TYR C 93 -35.756 35.391 19.901 1.00 15.25 H new ATOM 0 HD1 TYR C 93 -35.469 38.492 21.672 1.00 23.77 H new ATOM 0 HD2 TYR C 93 -36.310 34.591 22.026 1.00 20.65 H new ATOM 0 HE1 TYR C 93 -35.738 38.740 23.966 1.00 24.47 H new ATOM 0 HE2 TYR C 93 -36.675 34.850 24.290 1.00 22.78 H new ATOM 0 HH TYR C 93 -36.751 36.234 25.972 1.00 31.55 H new ATOM 3059 N PHE C 94 -32.782 34.882 20.211 1.00 11.16 N ATOM 3060 CA PHE C 94 -31.873 34.247 21.203 1.00 11.47 C ATOM 3061 C PHE C 94 -30.492 33.945 20.666 1.00 10.80 C ATOM 3062 O PHE C 94 -29.666 33.443 21.441 1.00 11.67 O ATOM 3063 CB PHE C 94 -32.492 33.000 21.886 1.00 12.56 C ATOM 3064 CG PHE C 94 -32.339 31.724 21.122 1.00 9.46 C ATOM 3065 CD1 PHE C 94 -31.397 30.802 21.541 1.00 10.94 C ATOM 3066 CD2 PHE C 94 -33.078 31.448 19.966 1.00 10.85 C ATOM 3067 CE1 PHE C 94 -31.170 29.640 20.860 1.00 10.39 C ATOM 3068 CE2 PHE C 94 -32.855 30.245 19.286 1.00 11.09 C ATOM 3069 CZ PHE C 94 -31.917 29.337 19.722 1.00 9.16 C ATOM 0 H PHE C 94 -33.040 34.382 19.560 1.00 11.16 H new ATOM 0 HA PHE C 94 -31.759 34.926 21.887 1.00 11.47 H new ATOM 0 HB2 PHE C 94 -32.085 32.890 22.759 1.00 12.56 H new ATOM 0 HB3 PHE C 94 -33.437 33.163 22.032 1.00 12.56 H new ATOM 0 HD1 PHE C 94 -30.904 30.978 22.309 1.00 10.94 H new ATOM 0 HD2 PHE C 94 -33.709 32.056 19.654 1.00 10.85 H new ATOM 0 HE1 PHE C 94 -30.516 29.049 21.156 1.00 10.39 H new ATOM 0 HE2 PHE C 94 -33.352 30.055 18.523 1.00 11.09 H new ATOM 0 HZ PHE C 94 -31.784 28.537 19.267 1.00 9.16 H new ATOM 3070 N ILE C 95 -30.233 34.207 19.375 1.00 10.99 N ATOM 3071 CA ILE C 95 -28.919 33.916 18.815 1.00 10.67 C ATOM 3072 C ILE C 95 -28.302 35.237 18.432 1.00 10.78 C ATOM 3073 O ILE C 95 -28.768 35.893 17.480 1.00 12.04 O ATOM 3074 CB ILE C 95 -28.981 33.012 17.601 1.00 10.72 C ATOM 3075 CG1 ILE C 95 -29.704 31.707 17.979 1.00 11.91 C ATOM 3076 CG2 ILE C 95 -27.545 32.727 17.108 1.00 12.05 C ATOM 3077 CD1 ILE C 95 -30.044 30.817 16.710 1.00 12.02 C ATOM 0 H ILE C 95 -30.797 34.547 18.822 1.00 10.99 H new ATOM 0 HA ILE C 95 -28.392 33.443 19.478 1.00 10.67 H new ATOM 0 HB ILE C 95 -29.474 33.441 16.884 1.00 10.72 H new ATOM 0 HG12 ILE C 95 -29.149 31.197 18.589 1.00 11.91 H new ATOM 0 HG13 ILE C 95 -30.524 31.919 18.452 1.00 11.91 H new ATOM 0 HG21 ILE C 95 -27.579 32.148 16.330 1.00 12.05 H new ATOM 0 HG22 ILE C 95 -27.112 33.562 16.871 1.00 12.05 H new ATOM 0 HG23 ILE C 95 -27.041 32.291 17.813 1.00 12.05 H new ATOM 0 HD11 ILE C 95 -30.497 30.008 16.994 1.00 12.02 H new ATOM 0 HD12 ILE C 95 -30.620 31.316 16.110 1.00 12.02 H new ATOM 0 HD13 ILE C 95 -29.223 30.583 16.250 1.00 12.02 H new ATOM 3078 N GLY C 96 -27.258 35.656 19.125 1.00 10.99 N ATOM 3079 CA GLY C 96 -26.556 36.920 18.788 1.00 11.66 C ATOM 3080 C GLY C 96 -25.640 36.835 17.594 1.00 12.43 C ATOM 3081 O GLY C 96 -25.568 37.763 16.784 1.00 14.43 O ATOM 0 H GLY C 96 -26.927 35.234 19.798 1.00 10.99 H new ATOM 0 HA2 GLY C 96 -27.218 37.609 18.623 1.00 11.66 H new ATOM 0 HA3 GLY C 96 -26.038 37.203 19.558 1.00 11.66 H new ATOM 3082 N GLN C 97 -24.985 35.700 17.424 1.00 11.15 N ATOM 3083 CA GLN C 97 -24.089 35.520 16.289 1.00 12.48 C ATOM 3084 C GLN C 97 -24.106 34.042 15.963 1.00 11.71 C ATOM 3085 O GLN C 97 -24.247 33.204 16.853 1.00 10.70 O ATOM 3086 CB GLN C 97 -22.629 35.843 16.613 1.00 14.18 C ATOM 3087 CG GLN C 97 -22.415 37.349 17.059 1.00 17.62 C ATOM 3088 CD GLN C 97 -21.047 37.548 17.605 1.00 22.72 C ATOM 3089 OE1 GLN C 97 -20.110 37.777 16.861 1.00 24.52 O ATOM 3090 NE2 GLN C 97 -20.917 37.459 18.922 1.00 22.85 N ATOM 0 H GLN C 97 -25.042 35.022 17.950 1.00 11.15 H new ATOM 0 HA GLN C 97 -24.390 36.108 15.579 1.00 12.48 H new ATOM 0 HB2 GLN C 97 -22.321 35.254 17.320 1.00 14.18 H new ATOM 0 HB3 GLN C 97 -22.081 35.660 15.833 1.00 14.18 H new ATOM 0 HG2 GLN C 97 -22.554 37.938 16.301 1.00 17.62 H new ATOM 0 HG3 GLN C 97 -23.074 37.589 17.730 1.00 17.62 H new ATOM 0 HE21 GLN C 97 -21.605 37.296 19.412 1.00 22.85 H new ATOM 0 HE22 GLN C 97 -20.145 37.565 19.286 1.00 22.85 H new ATOM 3091 N LEU C 98 -23.882 33.714 14.686 1.00 11.25 N ATOM 3092 CA LEU C 98 -24.021 32.326 14.201 1.00 11.14 C ATOM 3093 C LEU C 98 -22.968 32.008 13.169 1.00 9.46 C ATOM 3094 O LEU C 98 -22.747 32.802 12.236 1.00 11.16 O ATOM 3095 CB LEU C 98 -25.453 32.177 13.530 1.00 12.98 C ATOM 3096 CG LEU C 98 -25.909 30.797 13.080 1.00 14.17 C ATOM 3097 CD1 LEU C 98 -26.223 29.932 14.286 1.00 14.86 C ATOM 3098 CD2 LEU C 98 -27.195 31.009 12.235 1.00 18.49 C ATOM 0 H LEU C 98 -23.648 34.278 14.081 1.00 11.25 H new ATOM 0 HA LEU C 98 -23.916 31.716 14.948 1.00 11.14 H new ATOM 0 HB2 LEU C 98 -26.109 32.513 14.160 1.00 12.98 H new ATOM 0 HB3 LEU C 98 -25.478 32.762 12.756 1.00 12.98 H new ATOM 0 HG LEU C 98 -25.217 30.352 12.566 1.00 14.17 H new ATOM 0 HD11 LEU C 98 -26.513 29.055 13.989 1.00 14.86 H new ATOM 0 HD12 LEU C 98 -25.428 29.841 14.835 1.00 14.86 H new ATOM 0 HD13 LEU C 98 -26.929 30.346 14.806 1.00 14.86 H new ATOM 0 HD21 LEU C 98 -27.524 30.151 11.925 1.00 18.49 H new ATOM 0 HD22 LEU C 98 -27.874 31.437 12.780 1.00 18.49 H new ATOM 0 HD23 LEU C 98 -26.992 31.572 11.472 1.00 18.49 H new ATOM 3099 N LYS C 99 -22.357 30.812 13.238 1.00 9.85 N ATOM 3100 CA LYS C 99 -21.403 30.292 12.201 1.00 10.37 C ATOM 3101 C LYS C 99 -21.978 28.991 11.706 1.00 10.01 C ATOM 3102 O LYS C 99 -22.020 28.020 12.467 1.00 9.79 O ATOM 3103 CB LYS C 99 -20.007 30.015 12.798 1.00 10.43 C ATOM 3104 CG LYS C 99 -19.033 29.260 11.891 1.00 12.49 C ATOM 3105 CD LYS C 99 -18.730 30.004 10.574 1.00 12.23 C ATOM 3106 CE LYS C 99 -17.949 29.068 9.676 1.00 14.31 C ATOM 3107 NZ LYS C 99 -17.592 29.832 8.429 1.00 17.04 N ATOM 0 H LYS C 99 -22.479 30.266 13.891 1.00 9.85 H new ATOM 0 HA LYS C 99 -21.297 30.949 11.495 1.00 10.37 H new ATOM 0 HB2 LYS C 99 -19.604 30.863 13.042 1.00 10.43 H new ATOM 0 HB3 LYS C 99 -20.119 29.508 13.617 1.00 10.43 H new ATOM 0 HG2 LYS C 99 -18.203 29.111 12.370 1.00 12.49 H new ATOM 0 HG3 LYS C 99 -19.402 28.387 11.685 1.00 12.49 H new ATOM 0 HD2 LYS C 99 -19.554 30.279 10.142 1.00 12.23 H new ATOM 0 HD3 LYS C 99 -18.219 30.810 10.750 1.00 12.23 H new ATOM 0 HE2 LYS C 99 -17.149 28.753 10.125 1.00 14.31 H new ATOM 0 HE3 LYS C 99 -18.478 28.285 9.457 1.00 14.31 H new ATOM 0 HZ1 LYS C 99 -17.194 29.286 7.850 1.00 17.04 H new ATOM 0 HZ2 LYS C 99 -18.332 30.165 8.063 1.00 17.04 H new ATOM 0 HZ3 LYS C 99 -17.039 30.497 8.636 1.00 17.04 H new ATOM 3108 N PRO C 100 -22.426 28.928 10.450 1.00 9.31 N ATOM 3109 CA PRO C 100 -22.841 27.635 9.854 1.00 9.91 C ATOM 3110 C PRO C 100 -21.707 26.900 9.159 1.00 9.89 C ATOM 3111 O PRO C 100 -20.837 27.541 8.503 1.00 10.56 O ATOM 3112 CB PRO C 100 -23.897 28.012 8.811 1.00 11.38 C ATOM 3113 CG PRO C 100 -24.042 29.507 8.950 1.00 12.67 C ATOM 3114 CD PRO C 100 -22.822 30.084 9.620 1.00 9.77 C ATOM 0 HA PRO C 100 -23.158 27.037 10.549 1.00 9.91 H new ATOM 0 HB2 PRO C 100 -23.615 27.766 7.916 1.00 11.38 H new ATOM 0 HB3 PRO C 100 -24.738 27.558 8.978 1.00 11.38 H new ATOM 0 HG2 PRO C 100 -24.161 29.910 8.076 1.00 12.67 H new ATOM 0 HG3 PRO C 100 -24.834 29.716 9.469 1.00 12.67 H new ATOM 0 HD2 PRO C 100 -22.134 30.339 8.985 1.00 9.77 H new ATOM 0 HD3 PRO C 100 -23.025 30.871 10.150 1.00 9.77 H new ATOM 3115 N PHE C 101 -21.681 25.582 9.281 1.00 8.10 N ATOM 3116 CA PHE C 101 -20.809 24.713 8.511 1.00 8.50 C ATOM 3117 C PHE C 101 -21.638 23.716 7.774 1.00 8.73 C ATOM 3118 O PHE C 101 -22.282 22.850 8.435 1.00 8.81 O ATOM 3119 CB PHE C 101 -19.847 23.905 9.405 1.00 9.64 C ATOM 3120 CG PHE C 101 -18.954 24.719 10.322 1.00 10.02 C ATOM 3121 CD1 PHE C 101 -17.839 25.419 9.833 1.00 10.90 C ATOM 3122 CD2 PHE C 101 -19.190 24.707 11.697 1.00 11.97 C ATOM 3123 CE1 PHE C 101 -16.984 26.107 10.751 1.00 12.88 C ATOM 3124 CE2 PHE C 101 -18.340 25.380 12.595 1.00 11.40 C ATOM 3125 CZ PHE C 101 -17.259 26.100 12.101 1.00 14.44 C ATOM 0 H PHE C 101 -22.186 25.156 9.831 1.00 8.10 H new ATOM 0 HA PHE C 101 -20.297 25.285 7.918 1.00 8.50 H new ATOM 0 HB2 PHE C 101 -20.372 23.297 9.949 1.00 9.64 H new ATOM 0 HB3 PHE C 101 -19.284 23.360 8.834 1.00 9.64 H new ATOM 0 HD1 PHE C 101 -17.658 25.435 8.921 1.00 10.90 H new ATOM 0 HD2 PHE C 101 -19.926 24.244 12.028 1.00 11.97 H new ATOM 0 HE1 PHE C 101 -16.237 26.562 10.434 1.00 12.88 H new ATOM 0 HE2 PHE C 101 -18.500 25.343 13.510 1.00 11.40 H new ATOM 0 HZ PHE C 101 -16.718 26.580 12.685 1.00 14.44 H new ATOM 3126 N VAL C 102 -21.647 23.735 6.436 1.00 8.63 N ATOM 3127 CA VAL C 102 -22.258 22.645 5.716 1.00 9.42 C ATOM 3128 C VAL C 102 -21.268 21.494 5.667 1.00 9.52 C ATOM 3129 O VAL C 102 -20.123 21.691 5.241 1.00 10.16 O ATOM 3130 CB VAL C 102 -22.640 23.103 4.271 1.00 9.65 C ATOM 3131 CG1 VAL C 102 -23.234 21.918 3.514 1.00 11.95 C ATOM 3132 CG2 VAL C 102 -23.615 24.222 4.302 1.00 11.44 C ATOM 0 H VAL C 102 -21.311 24.358 5.948 1.00 8.63 H new ATOM 0 HA VAL C 102 -23.070 22.360 6.163 1.00 9.42 H new ATOM 0 HB VAL C 102 -21.840 23.418 3.822 1.00 9.65 H new ATOM 0 HG11 VAL C 102 -23.474 22.195 2.616 1.00 11.95 H new ATOM 0 HG12 VAL C 102 -22.580 21.203 3.468 1.00 11.95 H new ATOM 0 HG13 VAL C 102 -24.026 21.602 3.977 1.00 11.95 H new ATOM 0 HG21 VAL C 102 -23.834 24.486 3.395 1.00 11.44 H new ATOM 0 HG22 VAL C 102 -24.422 23.936 4.759 1.00 11.44 H new ATOM 0 HG23 VAL C 102 -23.227 24.976 4.773 1.00 11.44 H new ATOM 3133 N THR C 103 -21.588 20.327 6.161 1.00 7.65 N ATOM 3134 CA THR C 103 -20.664 19.241 6.245 1.00 8.68 C ATOM 3135 C THR C 103 -20.761 18.220 5.112 1.00 10.31 C ATOM 3136 O THR C 103 -21.732 18.186 4.359 1.00 13.09 O ATOM 3137 CB THR C 103 -20.710 18.568 7.636 1.00 8.57 C ATOM 3138 OG1 THR C 103 -22.019 17.979 7.827 1.00 9.25 O ATOM 3139 CG2 THR C 103 -20.419 19.595 8.731 1.00 10.77 C ATOM 0 H THR C 103 -22.371 20.141 6.465 1.00 7.65 H new ATOM 0 HA THR C 103 -19.790 19.646 6.127 1.00 8.68 H new ATOM 0 HB THR C 103 -20.033 17.875 7.687 1.00 8.57 H new ATOM 0 HG1 THR C 103 -22.610 18.561 7.695 1.00 9.25 H new ATOM 0 HG21 THR C 103 -20.451 19.161 9.598 1.00 10.77 H new ATOM 0 HG22 THR C 103 -19.538 19.975 8.592 1.00 10.77 H new ATOM 0 HG23 THR C 103 -21.084 20.300 8.698 1.00 10.77 H new ATOM 3140 N GLU C 104 -19.734 17.412 4.978 1.00 10.89 N ATOM 3141 CA GLU C 104 -19.696 16.327 4.000 1.00 11.41 C ATOM 3142 C GLU C 104 -19.296 15.067 4.698 1.00 10.72 C ATOM 3143 O GLU C 104 -18.286 15.041 5.413 1.00 10.71 O ATOM 3144 CB GLU C 104 -18.670 16.665 2.897 1.00 13.33 C ATOM 3145 CG GLU C 104 -18.532 15.544 1.841 1.00 17.23 C ATOM 3146 CD GLU C 104 -17.451 15.859 0.826 1.00 27.84 C ATOM 3147 OE1 GLU C 104 -16.740 16.858 1.014 1.00 32.38 O ATOM 3148 OE2 GLU C 104 -17.309 15.073 -0.137 1.00 32.22 O ATOM 0 H GLU C 104 -19.022 17.472 5.457 1.00 10.89 H new ATOM 0 HA GLU C 104 -20.569 16.213 3.594 1.00 11.41 H new ATOM 0 HB2 GLU C 104 -18.935 17.488 2.456 1.00 13.33 H new ATOM 0 HB3 GLU C 104 -17.805 16.827 3.305 1.00 13.33 H new ATOM 0 HG2 GLU C 104 -18.326 14.706 2.284 1.00 17.23 H new ATOM 0 HG3 GLU C 104 -19.379 15.423 1.385 1.00 17.23 H new ATOM 3149 N GLU C 105 -20.054 13.987 4.498 1.00 12.30 N ATOM 3150 CA GLU C 105 -19.688 12.678 4.985 1.00 14.13 C ATOM 3151 C GLU C 105 -18.503 12.084 4.267 1.00 14.47 C ATOM 3152 O GLU C 105 -18.271 12.321 3.074 1.00 15.22 O ATOM 3153 CB GLU C 105 -20.831 11.666 4.912 1.00 16.47 C ATOM 3154 CG GLU C 105 -22.029 12.137 5.631 1.00 19.23 C ATOM 3155 CD GLU C 105 -21.832 12.332 7.118 1.00 18.32 C ATOM 3156 OE1 GLU C 105 -20.981 11.668 7.774 1.00 24.45 O ATOM 3157 OE2 GLU C 105 -22.578 13.127 7.669 1.00 19.58 O ATOM 0 H GLU C 105 -20.800 14.004 4.071 1.00 12.30 H new ATOM 0 HA GLU C 105 -19.456 12.839 5.913 1.00 14.13 H new ATOM 0 HB2 GLU C 105 -21.056 11.499 3.983 1.00 16.47 H new ATOM 0 HB3 GLU C 105 -20.539 10.821 5.289 1.00 16.47 H new ATOM 0 HG2 GLU C 105 -22.316 12.978 5.241 1.00 19.23 H new ATOM 0 HG3 GLU C 105 -22.747 11.500 5.492 1.00 19.23 H new ATOM 3158 N LEU C 106 -17.692 11.398 5.045 1.00 13.44 N ATOM 3159 CA LEU C 106 -16.443 10.811 4.535 1.00 15.71 C ATOM 3160 C LEU C 106 -16.451 9.306 4.562 1.00 17.53 C ATOM 3161 O LEU C 106 -15.626 8.686 3.880 1.00 18.24 O ATOM 3162 CB LEU C 106 -15.275 11.332 5.376 1.00 15.45 C ATOM 3163 CG LEU C 106 -15.084 12.851 5.260 1.00 14.51 C ATOM 3164 CD1 LEU C 106 -13.954 13.319 6.194 1.00 17.25 C ATOM 3165 CD2 LEU C 106 -14.796 13.252 3.836 1.00 20.63 C ATOM 0 H LEU C 106 -17.837 11.253 5.880 1.00 13.44 H new ATOM 0 HA LEU C 106 -16.350 11.076 3.606 1.00 15.71 H new ATOM 0 HB2 LEU C 106 -15.424 11.100 6.306 1.00 15.45 H new ATOM 0 HB3 LEU C 106 -14.459 10.886 5.099 1.00 15.45 H new ATOM 0 HG LEU C 106 -15.909 13.283 5.530 1.00 14.51 H new ATOM 0 HD11 LEU C 106 -13.843 14.279 6.112 1.00 17.25 H new ATOM 0 HD12 LEU C 106 -14.179 13.097 7.111 1.00 17.25 H new ATOM 0 HD13 LEU C 106 -13.127 12.876 5.948 1.00 17.25 H new ATOM 0 HD21 LEU C 106 -14.679 14.214 3.788 1.00 20.63 H new ATOM 0 HD22 LEU C 106 -13.986 12.813 3.534 1.00 20.63 H new ATOM 0 HD23 LEU C 106 -15.537 12.988 3.269 1.00 20.63 H new ATOM 3166 N VAL C 107 -17.315 8.713 5.378 1.00 18.67 N ATOM 3167 CA VAL C 107 -17.391 7.271 5.517 1.00 22.47 C ATOM 3168 C VAL C 107 -18.849 6.897 5.637 1.00 23.74 C ATOM 3169 O VAL C 107 -19.265 5.754 5.382 1.00 26.04 O ATOM 3170 CB VAL C 107 -16.658 6.763 6.763 1.00 23.76 C ATOM 3171 CG1 VAL C 107 -15.155 7.007 6.669 1.00 23.34 C ATOM 3172 CG2 VAL C 107 -17.234 7.399 8.005 1.00 24.89 C ATOM 3173 OXT VAL C 107 -19.664 7.762 5.984 1.00 25.49 O ATOM 0 H VAL C 107 -17.876 9.142 5.869 1.00 18.67 H new ATOM 0 HA VAL C 107 -16.968 6.868 4.743 1.00 22.47 H new ATOM 0 HB VAL C 107 -16.790 5.804 6.818 1.00 23.76 H new ATOM 0 HG11 VAL C 107 -14.722 6.675 7.471 1.00 23.34 H new ATOM 0 HG12 VAL C 107 -14.800 6.543 5.895 1.00 23.34 H new ATOM 0 HG13 VAL C 107 -14.986 7.958 6.581 1.00 23.34 H new ATOM 0 HG21 VAL C 107 -16.762 7.070 8.786 1.00 24.89 H new ATOM 0 HG22 VAL C 107 -17.136 8.362 7.951 1.00 24.89 H new ATOM 0 HG23 VAL C 107 -18.175 7.174 8.077 1.00 24.89 H new TER 3174 VAL C 107 ATOM 3175 N GLY D -1 31.834 28.596 38.558 1.00 37.82 N ATOM 3176 CA GLY D -1 31.905 27.315 37.808 1.00 36.37 C ATOM 3177 C GLY D -1 31.553 27.598 36.365 1.00 35.72 C ATOM 3178 O GLY D -1 32.129 28.498 35.742 1.00 37.08 O ATOM 0 H1 GLY D -1 32.481 28.619 39.169 1.00 37.82 H new ATOM 0 H2 GLY D -1 31.935 29.277 37.994 1.00 37.82 H new ATOM 0 H3 GLY D -1 31.043 28.660 38.962 1.00 37.82 H new ATOM 0 HA2 GLY D -1 32.795 26.934 37.872 1.00 36.37 H new ATOM 0 HA3 GLY D -1 31.291 26.666 38.186 1.00 36.37 H new ATOM 3179 N ARG D 0 30.612 26.834 35.827 1.00 33.50 N ATOM 3180 CA ARG D 0 30.292 26.957 34.426 1.00 31.56 C ATOM 3181 C ARG D 0 29.071 27.876 34.199 1.00 27.61 C ATOM 3182 O ARG D 0 28.343 28.246 35.137 1.00 28.76 O ATOM 3183 CB ARG D 0 30.086 25.569 33.807 1.00 31.39 C ATOM 3184 CG ARG D 0 30.212 25.525 32.305 1.00 37.26 C ATOM 3185 CD ARG D 0 31.558 26.046 31.820 1.00 42.45 C ATOM 3186 NE ARG D 0 31.471 27.318 31.090 1.00 46.57 N ATOM 3187 CZ ARG D 0 31.981 28.477 31.508 1.00 48.43 C ATOM 3188 NH1 ARG D 0 32.608 28.572 32.681 1.00 50.07 N ATOM 3189 NH2 ARG D 0 31.874 29.554 30.739 1.00 50.98 N ATOM 0 H ARG D 0 30.154 26.245 36.256 1.00 33.50 H new ATOM 0 HA ARG D 0 31.041 27.379 33.977 1.00 31.56 H new ATOM 0 HB2 ARG D 0 30.733 24.957 34.192 1.00 31.39 H new ATOM 0 HB3 ARG D 0 29.206 25.245 34.055 1.00 31.39 H new ATOM 0 HG2 ARG D 0 30.092 24.612 32.000 1.00 37.26 H new ATOM 0 HG3 ARG D 0 29.502 26.053 31.908 1.00 37.26 H new ATOM 0 HD2 ARG D 0 32.146 26.160 32.583 1.00 42.45 H new ATOM 0 HD3 ARG D 0 31.966 25.380 31.245 1.00 42.45 H new ATOM 0 HE ARG D 0 31.059 27.315 30.335 1.00 46.57 H new ATOM 0 HH11 ARG D 0 32.689 27.878 33.183 1.00 50.07 H new ATOM 0 HH12 ARG D 0 32.931 29.327 32.936 1.00 50.07 H new ATOM 0 HH21 ARG D 0 31.478 29.501 29.977 1.00 50.98 H new ATOM 0 HH22 ARG D 0 32.201 30.305 31.002 1.00 50.98 H new ATOM 3190 N MET D 1 28.907 28.293 32.959 1.00 24.45 N ATOM 3191 CA MET D 1 27.755 29.067 32.596 1.00 20.27 C ATOM 3192 C MET D 1 26.500 28.215 32.690 1.00 18.04 C ATOM 3193 O MET D 1 26.517 27.028 32.298 1.00 19.54 O ATOM 3194 CB MET D 1 27.902 29.562 31.177 1.00 20.88 C ATOM 3195 CG MET D 1 29.041 30.538 31.099 1.00 22.58 C ATOM 3196 SD MET D 1 28.525 31.908 30.086 1.00 25.84 S ATOM 3197 CE MET D 1 29.973 32.991 30.277 1.00 25.03 C ATOM 0 H MET D 1 29.455 28.135 32.315 1.00 24.45 H new ATOM 0 HA MET D 1 27.682 29.819 33.204 1.00 20.27 H new ATOM 0 HB2 MET D 1 28.063 28.815 30.579 1.00 20.88 H new ATOM 0 HB3 MET D 1 27.080 29.987 30.886 1.00 20.88 H new ATOM 0 HG2 MET D 1 29.285 30.845 31.986 1.00 22.58 H new ATOM 0 HG3 MET D 1 29.826 30.113 30.720 1.00 22.58 H new ATOM 0 HE1 MET D 1 29.717 33.909 30.095 1.00 25.03 H new ATOM 0 HE2 MET D 1 30.310 32.924 31.184 1.00 25.03 H new ATOM 0 HE3 MET D 1 30.665 32.719 29.654 1.00 25.03 H new ATOM 3198 N ILE D 2 25.395 28.825 33.135 1.00 13.99 N ATOM 3199 CA ILE D 2 24.055 28.234 33.028 1.00 11.87 C ATOM 3200 C ILE D 2 23.635 28.234 31.561 1.00 10.23 C ATOM 3201 O ILE D 2 23.815 29.249 30.870 1.00 9.81 O ATOM 3202 CB ILE D 2 23.041 29.055 33.825 1.00 12.01 C ATOM 3203 CG1 ILE D 2 23.417 29.046 35.303 1.00 15.38 C ATOM 3204 CG2 ILE D 2 21.617 28.586 33.619 1.00 13.80 C ATOM 3205 CD1 ILE D 2 22.726 30.141 36.114 1.00 18.02 C ATOM 0 H ILE D 2 25.403 29.599 33.510 1.00 13.99 H new ATOM 0 HA ILE D 2 24.080 27.331 33.381 1.00 11.87 H new ATOM 0 HB ILE D 2 23.074 29.966 33.492 1.00 12.01 H new ATOM 0 HG12 ILE D 2 23.191 28.182 35.682 1.00 15.38 H new ATOM 0 HG13 ILE D 2 24.378 29.150 35.386 1.00 15.38 H new ATOM 0 HG21 ILE D 2 21.016 29.137 34.144 1.00 13.80 H new ATOM 0 HG22 ILE D 2 21.385 28.659 32.680 1.00 13.80 H new ATOM 0 HG23 ILE D 2 21.537 27.661 33.901 1.00 13.80 H new ATOM 0 HD11 ILE D 2 23.005 30.082 37.041 1.00 18.02 H new ATOM 0 HD12 ILE D 2 22.969 31.010 35.758 1.00 18.02 H new ATOM 0 HD13 ILE D 2 21.764 30.027 36.059 1.00 18.02 H new ATOM 3206 N ARG D 3 23.161 27.085 31.086 1.00 9.74 N ATOM 3207 CA ARG D 3 22.719 26.933 29.690 1.00 9.44 C ATOM 3208 C ARG D 3 21.352 26.320 29.646 1.00 10.22 C ATOM 3209 O ARG D 3 21.024 25.327 30.370 1.00 11.13 O ATOM 3210 CB ARG D 3 23.705 26.100 28.863 1.00 10.19 C ATOM 3211 CG ARG D 3 25.034 26.867 28.683 1.00 10.84 C ATOM 3212 CD ARG D 3 26.145 25.923 28.173 1.00 12.44 C ATOM 3213 NE ARG D 3 25.901 25.530 26.810 1.00 11.30 N ATOM 3214 CZ ARG D 3 26.684 24.699 26.139 1.00 11.35 C ATOM 3215 NH1 ARG D 3 27.750 24.172 26.745 1.00 12.71 N ATOM 3216 NH2 ARG D 3 26.419 24.412 24.903 1.00 11.01 N ATOM 0 H ARG D 3 23.085 26.370 31.558 1.00 9.74 H new ATOM 0 HA ARG D 3 22.686 27.818 29.294 1.00 9.44 H new ATOM 0 HB2 ARG D 3 23.871 25.252 29.304 1.00 10.19 H new ATOM 0 HB3 ARG D 3 23.320 25.899 27.996 1.00 10.19 H new ATOM 0 HG2 ARG D 3 24.909 27.596 28.055 1.00 10.84 H new ATOM 0 HG3 ARG D 3 25.302 27.262 29.527 1.00 10.84 H new ATOM 0 HD2 ARG D 3 27.005 26.366 28.236 1.00 12.44 H new ATOM 0 HD3 ARG D 3 26.189 25.135 28.737 1.00 12.44 H new ATOM 0 HE ARG D 3 25.211 25.852 26.410 1.00 11.30 H new ATOM 0 HH11 ARG D 3 27.923 24.373 27.563 1.00 12.71 H new ATOM 0 HH12 ARG D 3 28.264 23.631 26.317 1.00 12.71 H new ATOM 0 HH21 ARG D 3 25.734 24.761 24.518 1.00 11.01 H new ATOM 0 HH22 ARG D 3 26.928 23.872 24.468 1.00 11.01 H new ATOM 3217 N ILE D 4 20.496 26.921 28.829 1.00 9.13 N ATOM 3218 CA ILE D 4 19.143 26.412 28.644 1.00 8.98 C ATOM 3219 C ILE D 4 18.956 26.226 27.144 1.00 8.46 C ATOM 3220 O ILE D 4 19.138 27.208 26.375 1.00 8.46 O ATOM 3221 CB ILE D 4 18.054 27.314 29.245 1.00 8.87 C ATOM 3222 CG1 ILE D 4 18.394 27.738 30.680 1.00 11.00 C ATOM 3223 CG2 ILE D 4 16.709 26.601 29.184 1.00 11.92 C ATOM 3224 CD1 ILE D 4 17.318 28.616 31.337 1.00 13.39 C ATOM 0 H ILE D 4 20.679 27.626 28.372 1.00 9.13 H new ATOM 0 HA ILE D 4 19.043 25.575 29.124 1.00 8.98 H new ATOM 0 HB ILE D 4 18.004 28.127 28.719 1.00 8.87 H new ATOM 0 HG12 ILE D 4 18.526 26.944 31.221 1.00 11.00 H new ATOM 0 HG13 ILE D 4 19.235 28.221 30.675 1.00 11.00 H new ATOM 0 HG21 ILE D 4 16.023 27.172 29.564 1.00 11.92 H new ATOM 0 HG22 ILE D 4 16.489 26.402 28.260 1.00 11.92 H new ATOM 0 HG23 ILE D 4 16.758 25.774 29.689 1.00 11.92 H new ATOM 0 HD11 ILE D 4 17.594 28.847 32.238 1.00 13.39 H new ATOM 0 HD12 ILE D 4 17.200 29.427 30.817 1.00 13.39 H new ATOM 0 HD13 ILE D 4 16.480 28.129 31.371 1.00 13.39 H new ATOM 3225 N ALEU D 5 18.649 25.005 26.745 0.50 8.27 N ATOM 3226 N BLEU D 5 18.599 25.033 26.732 0.50 8.30 N ATOM 3227 CA ALEU D 5 18.352 24.684 25.354 0.50 8.71 C ATOM 3228 CA BLEU D 5 18.415 24.725 25.322 0.50 8.58 C ATOM 3229 C ALEU D 5 16.852 24.703 25.142 0.50 8.23 C ATOM 3230 C BLEU D 5 16.931 24.501 25.051 0.50 8.37 C ATOM 3231 O ALEU D 5 16.054 24.358 26.029 0.50 7.88 O ATOM 3232 O BLEU D 5 16.232 23.793 25.828 0.50 7.37 O ATOM 3233 CB ALEU D 5 18.940 23.312 24.984 0.50 10.74 C ATOM 3234 CB BLEU D 5 19.218 23.466 25.017 0.50 10.68 C ATOM 3235 CG ALEU D 5 19.026 23.137 23.461 0.50 12.41 C ATOM 3236 CG BLEU D 5 19.041 22.907 23.615 0.50 11.39 C ATOM 3237 CD1ALEU D 5 20.430 22.892 22.867 0.50 13.19 C ATOM 3238 CD1BLEU D 5 20.030 23.695 22.797 0.50 10.58 C ATOM 3239 CD2ALEU D 5 18.021 22.112 23.047 0.50 12.87 C ATOM 3240 CD2BLEU D 5 19.243 21.395 23.543 0.50 16.61 C ATOM 0 H ALEU D 5 18.606 24.330 27.276 0.50 8.30 H new ATOM 0 H BLEU D 5 18.454 24.370 27.260 0.50 8.30 H new ATOM 0 HA ALEU D 5 18.759 25.348 24.776 0.50 8.58 H new ATOM 0 HA BLEU D 5 18.720 25.452 24.757 0.50 8.58 H new ATOM 0 HB2ALEU D 5 19.824 23.221 25.373 0.50 10.68 H new ATOM 0 HB2BLEU D 5 20.158 23.658 25.156 0.50 10.68 H new ATOM 0 HB3ALEU D 5 18.389 22.609 25.362 0.50 10.68 H new ATOM 0 HB3BLEU D 5 18.971 22.780 25.657 0.50 10.68 H new ATOM 0 HG ALEU D 5 18.813 23.999 23.071 0.50 11.39 H new ATOM 0 HG BLEU D 5 18.135 23.006 23.283 0.50 11.39 H new ATOM 0 HD11ALEU D 5 20.362 22.797 21.904 0.50 10.58 H new ATOM 0 HD11BLEU D 5 19.990 23.404 21.872 0.50 10.58 H new ATOM 0 HD12ALEU D 5 21.006 23.643 23.078 0.50 10.58 H new ATOM 0 HD12BLEU D 5 19.813 24.639 22.848 0.50 10.58 H new ATOM 0 HD13ALEU D 5 20.805 22.081 23.246 0.50 10.58 H new ATOM 0 HD13BLEU D 5 20.925 23.550 23.143 0.50 10.58 H new ATOM 0 HD21ALEU D 5 18.062 21.989 22.086 0.50 16.61 H new ATOM 0 HD21BLEU D 5 19.118 21.095 22.629 0.50 16.61 H new ATOM 0 HD22ALEU D 5 18.215 21.271 23.489 0.50 16.61 H new ATOM 0 HD22BLEU D 5 20.141 21.174 23.836 0.50 16.61 H new ATOM 0 HD23ALEU D 5 17.132 22.410 23.297 0.50 16.61 H new ATOM 0 HD23BLEU D 5 18.598 20.954 24.118 0.50 16.61 H new ATOM 3241 N TYR D 6 16.451 25.077 23.939 1.00 7.79 N ATOM 3242 CA TYR D 6 15.004 25.162 23.610 1.00 8.49 C ATOM 3243 C TYR D 6 14.700 24.494 22.276 1.00 9.41 C ATOM 3244 O TYR D 6 15.387 24.724 21.259 1.00 9.77 O ATOM 3245 CB TYR D 6 14.490 26.613 23.475 1.00 10.05 C ATOM 3246 CG TYR D 6 14.670 27.397 24.758 1.00 11.23 C ATOM 3247 CD1 TYR D 6 13.628 27.487 25.672 1.00 14.03 C ATOM 3248 CD2 TYR D 6 15.883 27.989 25.070 1.00 12.55 C ATOM 3249 CE1 TYR D 6 13.803 28.221 26.883 1.00 13.06 C ATOM 3250 CE2 TYR D 6 16.065 28.651 26.301 1.00 16.77 C ATOM 3251 CZ TYR D 6 15.000 28.767 27.148 1.00 15.47 C ATOM 3252 OH TYR D 6 15.151 29.447 28.371 1.00 20.11 O ATOM 0 H ATYR D 6 16.980 25.287 23.294 0.50 7.79 H new ATOM 0 H BTYR D 6 16.958 25.435 23.344 0.50 7.79 H new ATOM 0 HA TYR D 6 14.563 24.719 24.352 1.00 8.49 H new ATOM 0 HB2 TYR D 6 14.964 27.058 22.755 1.00 10.05 H new ATOM 0 HB3 TYR D 6 13.551 26.602 23.232 1.00 10.05 H new ATOM 0 HD1 TYR D 6 12.816 27.069 25.495 1.00 14.03 H new ATOM 0 HD2 TYR D 6 16.585 27.949 24.461 1.00 12.55 H new ATOM 0 HE1 TYR D 6 13.097 28.320 27.481 1.00 13.06 H new ATOM 0 HE2 TYR D 6 16.895 29.002 26.532 1.00 16.77 H new ATOM 0 HH TYR D 6 14.528 29.230 28.891 1.00 20.11 H new ATOM 3253 N LEU D 7 13.668 23.657 22.275 1.00 8.64 N ATOM 3254 CA LEU D 7 13.064 23.155 21.021 1.00 8.87 C ATOM 3255 C LEU D 7 11.913 24.038 20.641 1.00 9.61 C ATOM 3256 O LEU D 7 11.045 24.265 21.504 1.00 10.23 O ATOM 3257 CB LEU D 7 12.602 21.699 21.189 1.00 10.72 C ATOM 3258 CG LEU D 7 13.655 20.738 21.711 1.00 10.00 C ATOM 3259 CD1 LEU D 7 13.032 19.312 21.824 1.00 13.82 C ATOM 3260 CD2 LEU D 7 14.909 20.706 20.821 1.00 12.82 C ATOM 0 H LEU D 7 13.293 23.360 22.990 1.00 8.64 H new ATOM 0 HA LEU D 7 13.728 23.174 20.314 1.00 8.87 H new ATOM 0 HB2 LEU D 7 11.844 21.684 21.794 1.00 10.72 H new ATOM 0 HB3 LEU D 7 12.287 21.375 20.331 1.00 10.72 H new ATOM 0 HG LEU D 7 13.940 21.048 22.585 1.00 10.00 H new ATOM 0 HD11 LEU D 7 13.700 18.692 22.157 1.00 13.82 H new ATOM 0 HD12 LEU D 7 12.279 19.335 22.435 1.00 13.82 H new ATOM 0 HD13 LEU D 7 12.729 19.021 20.950 1.00 13.82 H new ATOM 0 HD21 LEU D 7 15.553 20.081 21.191 1.00 12.82 H new ATOM 0 HD22 LEU D 7 14.664 20.425 19.926 1.00 12.82 H new ATOM 0 HD23 LEU D 7 15.303 21.592 20.785 1.00 12.82 H new ATOM 3261 N LEU D 8 11.929 24.618 19.459 1.00 9.10 N ATOM 3262 CA ALEU D 8 10.889 25.570 19.002 0.50 8.59 C ATOM 3263 CA BLEU D 8 10.888 25.558 19.014 0.50 9.35 C ATOM 3264 C LEU D 8 10.080 24.986 17.861 1.00 10.02 C ATOM 3265 O LEU D 8 10.651 24.468 16.899 1.00 10.18 O ATOM 3266 CB ALEU D 8 11.524 26.854 18.445 0.50 8.47 C ATOM 3267 CB BLEU D 8 11.540 26.847 18.514 0.50 9.47 C ATOM 3268 CG ALEU D 8 12.016 27.936 19.393 0.50 6.50 C ATOM 3269 CG BLEU D 8 12.622 27.417 19.426 0.50 11.74 C ATOM 3270 CD1ALEU D 8 13.161 27.365 20.194 0.50 10.28 C ATOM 3271 CD1BLEU D 8 13.207 28.641 18.791 0.50 12.54 C ATOM 3272 CD2ALEU D 8 12.486 29.212 18.634 0.50 8.73 C ATOM 3273 CD2BLEU D 8 11.995 27.756 20.715 0.50 11.11 C ATOM 0 H ALEU D 8 12.547 24.479 18.877 0.50 9.10 H new ATOM 0 H BLEU D 8 12.547 24.484 18.876 0.50 9.10 H new ATOM 0 HA ALEU D 8 10.332 25.754 19.775 0.50 9.35 H new ATOM 0 HA BLEU D 8 10.306 25.724 19.772 0.50 9.35 H new ATOM 0 HB2ALEU D 8 12.278 26.587 17.896 0.50 9.47 H new ATOM 0 HB2BLEU D 8 11.927 26.680 17.640 0.50 9.47 H new ATOM 0 HB3ALEU D 8 10.873 27.264 17.853 0.50 9.47 H new ATOM 0 HB3BLEU D 8 10.850 27.518 18.395 0.50 9.47 H new ATOM 0 HG ALEU D 8 11.284 28.205 19.970 0.50 11.74 H new ATOM 0 HG BLEU D 8 13.334 26.773 19.566 0.50 11.74 H new ATOM 0 HD11ALEU D 8 13.494 28.038 20.808 0.50 12.54 H new ATOM 0 HD11BLEU D 8 13.896 29.007 19.368 0.50 12.54 H new ATOM 0 HD12ALEU D 8 12.853 26.594 20.696 0.50 12.54 H new ATOM 0 HD12BLEU D 8 13.595 28.407 17.933 0.50 12.54 H new ATOM 0 HD13ALEU D 8 13.874 27.095 19.594 0.50 12.54 H new ATOM 0 HD13BLEU D 8 12.510 29.303 18.660 0.50 12.54 H new ATOM 0 HD21ALEU D 8 12.791 29.875 19.273 0.50 11.11 H new ATOM 0 HD21BLEU D 8 12.664 28.122 21.314 0.50 11.11 H new ATOM 0 HD22ALEU D 8 13.213 28.983 18.035 0.50 11.11 H new ATOM 0 HD22BLEU D 8 11.296 28.413 20.572 0.50 11.11 H new ATOM 0 HD23ALEU D 8 11.747 29.574 18.121 0.50 11.11 H new ATOM 0 HD23BLEU D 8 11.611 26.957 21.108 0.50 11.11 H new ATOM 3274 N VAL D 9 8.759 25.129 17.960 1.00 9.83 N ATOM 3275 CA VAL D 9 7.818 24.754 16.882 1.00 11.21 C ATOM 3276 C VAL D 9 7.124 26.038 16.484 1.00 9.87 C ATOM 3277 O VAL D 9 6.604 26.772 17.312 1.00 10.19 O ATOM 3278 CB VAL D 9 6.804 23.709 17.377 1.00 10.51 C ATOM 3279 CG1 VAL D 9 5.924 23.194 16.202 1.00 13.54 C ATOM 3280 CG2 VAL D 9 7.510 22.494 17.999 1.00 14.46 C ATOM 0 H VAL D 9 8.373 25.449 18.659 1.00 9.83 H new ATOM 0 HA VAL D 9 8.278 24.350 16.130 1.00 11.21 H new ATOM 0 HB VAL D 9 6.255 24.148 18.045 1.00 10.51 H new ATOM 0 HG11 VAL D 9 5.292 22.537 16.534 1.00 13.54 H new ATOM 0 HG12 VAL D 9 5.440 23.938 15.810 1.00 13.54 H new ATOM 0 HG13 VAL D 9 6.490 22.786 15.528 1.00 13.54 H new ATOM 0 HG21 VAL D 9 6.847 21.854 18.301 1.00 14.46 H new ATOM 0 HG22 VAL D 9 8.082 22.077 17.336 1.00 14.46 H new ATOM 0 HG23 VAL D 9 8.047 22.783 18.753 1.00 14.46 H new ATOM 3281 N LYS D 10 7.060 26.343 15.175 1.00 10.65 N ATOM 3282 CA LYS D 10 6.418 27.547 14.708 1.00 11.71 C ATOM 3283 C LYS D 10 4.874 27.434 14.827 1.00 10.32 C ATOM 3284 O LYS D 10 4.353 26.303 14.910 1.00 11.62 O ATOM 3285 CB LYS D 10 6.776 27.873 13.262 1.00 13.96 C ATOM 3286 CG LYS D 10 5.990 27.061 12.269 1.00 12.15 C ATOM 3287 CD LYS D 10 6.369 27.318 10.757 1.00 13.05 C ATOM 3288 CE LYS D 10 5.728 26.253 9.909 1.00 14.02 C ATOM 3289 NZ LYS D 10 4.226 26.233 10.125 1.00 14.06 N ATOM 0 H LYS D 10 7.390 25.851 14.551 1.00 10.65 H new ATOM 0 HA LYS D 10 6.743 28.264 15.274 1.00 11.71 H new ATOM 0 HB2 LYS D 10 6.618 28.816 13.099 1.00 13.96 H new ATOM 0 HB3 LYS D 10 7.723 27.716 13.124 1.00 13.96 H new ATOM 0 HG2 LYS D 10 6.118 26.120 12.466 1.00 12.15 H new ATOM 0 HG3 LYS D 10 5.046 27.250 12.390 1.00 12.15 H new ATOM 0 HD2 LYS D 10 6.065 28.196 10.479 1.00 13.05 H new ATOM 0 HD3 LYS D 10 7.332 27.302 10.645 1.00 13.05 H new ATOM 0 HE2 LYS D 10 5.923 26.416 8.973 1.00 14.02 H new ATOM 0 HE3 LYS D 10 6.103 25.386 10.130 1.00 14.02 H new ATOM 0 HZ1 LYS D 10 3.847 25.694 9.527 1.00 14.06 H new ATOM 0 HZ2 LYS D 10 4.048 25.938 10.945 1.00 14.06 H new ATOM 0 HZ3 LYS D 10 3.901 27.056 10.029 1.00 14.06 H new ATOM 3290 N PRO D 11 4.226 28.599 14.909 1.00 11.96 N ATOM 3291 CA PRO D 11 2.741 28.648 14.937 1.00 12.32 C ATOM 3292 C PRO D 11 2.180 28.097 13.648 1.00 13.13 C ATOM 3293 O PRO D 11 2.761 28.286 12.587 1.00 13.21 O ATOM 3294 CB PRO D 11 2.466 30.156 15.031 1.00 14.11 C ATOM 3295 CG PRO D 11 3.762 30.727 15.623 1.00 13.97 C ATOM 3296 CD PRO D 11 4.786 29.964 14.923 1.00 11.97 C ATOM 0 HA PRO D 11 2.344 28.131 15.655 1.00 12.32 H new ATOM 0 HB2 PRO D 11 2.274 30.538 14.160 1.00 14.11 H new ATOM 0 HB3 PRO D 11 1.702 30.344 15.598 1.00 14.11 H new ATOM 0 HG2 PRO D 11 3.845 31.679 15.460 1.00 13.97 H new ATOM 0 HG3 PRO D 11 3.808 30.599 16.583 1.00 13.97 H new ATOM 0 HD2 PRO D 11 4.935 30.301 14.026 1.00 11.97 H new ATOM 0 HD3 PRO D 11 5.639 29.998 15.384 1.00 11.97 H new ATOM 3297 N GLU D 12 1.014 27.444 13.765 1.00 13.28 N ATOM 3298 CA GLU D 12 0.318 26.926 12.575 1.00 14.49 C ATOM 3299 C GLU D 12 -0.168 28.021 11.671 1.00 15.53 C ATOM 3300 O GLU D 12 -0.388 27.791 10.469 1.00 18.16 O ATOM 3301 CB GLU D 12 -0.799 25.999 13.049 1.00 14.54 C ATOM 3302 CG GLU D 12 -0.295 24.633 13.339 1.00 15.54 C ATOM 3303 CD GLU D 12 0.083 23.858 12.081 1.00 18.09 C ATOM 3304 OE1 GLU D 12 -0.744 23.717 11.197 1.00 20.33 O ATOM 3305 OE2 GLU D 12 1.236 23.415 11.932 1.00 22.34 O ATOM 0 H GLU D 12 0.615 27.292 14.511 1.00 13.28 H new ATOM 0 HA GLU D 12 0.938 26.421 12.026 1.00 14.49 H new ATOM 0 HB2 GLU D 12 -1.210 26.368 13.846 1.00 14.54 H new ATOM 0 HB3 GLU D 12 -1.490 25.952 12.370 1.00 14.54 H new ATOM 0 HG2 GLU D 12 0.480 24.696 13.919 1.00 15.54 H new ATOM 0 HG3 GLU D 12 -0.974 24.140 13.825 1.00 15.54 H new ATOM 3306 N SER D 13 -0.274 29.238 12.148 1.00 15.30 N ATOM 3307 CA SER D 13 -0.674 30.347 11.312 1.00 16.92 C ATOM 3308 C SER D 13 0.477 30.918 10.505 1.00 16.68 C ATOM 3309 O SER D 13 0.287 31.855 9.736 1.00 19.12 O ATOM 3310 CB SER D 13 -1.298 31.433 12.192 1.00 18.41 C ATOM 3311 OG SER D 13 -0.344 31.899 13.126 1.00 21.96 O ATOM 0 H SER D 13 -0.117 29.449 12.967 1.00 15.30 H new ATOM 0 HA SER D 13 -1.322 30.018 10.670 1.00 16.92 H new ATOM 0 HB2 SER D 13 -1.610 32.168 11.641 1.00 18.41 H new ATOM 0 HB3 SER D 13 -2.072 31.079 12.657 1.00 18.41 H new ATOM 0 HG SER D 13 0.268 32.307 12.721 1.00 21.96 H new ATOM 3312 N MET D 14 1.686 30.357 10.705 1.00 13.54 N ATOM 3313 CA MET D 14 2.871 30.940 10.089 1.00 13.99 C ATOM 3314 C MET D 14 3.534 29.967 9.108 1.00 10.91 C ATOM 3315 O MET D 14 3.584 28.767 9.310 1.00 12.00 O ATOM 3316 CB MET D 14 3.863 31.202 11.233 1.00 14.56 C ATOM 3317 CG MET D 14 4.947 32.067 10.830 1.00 14.78 C ATOM 3318 SD MET D 14 5.957 32.734 12.238 1.00 15.80 S ATOM 3319 CE MET D 14 4.925 33.936 12.950 1.00 17.33 C ATOM 0 H MET D 14 1.829 29.657 11.183 1.00 13.54 H new ATOM 0 HA MET D 14 2.625 31.741 9.601 1.00 13.99 H new ATOM 0 HB2 MET D 14 3.393 31.603 11.981 1.00 14.56 H new ATOM 0 HB3 MET D 14 4.224 30.358 11.545 1.00 14.56 H new ATOM 0 HG2 MET D 14 5.531 31.578 10.230 1.00 14.78 H new ATOM 0 HG3 MET D 14 4.582 32.811 10.326 1.00 14.78 H new ATOM 0 HE1 MET D 14 5.410 34.410 13.644 1.00 17.33 H new ATOM 0 HE2 MET D 14 4.641 34.564 12.268 1.00 17.33 H new ATOM 0 HE3 MET D 14 4.146 33.506 13.337 1.00 17.33 H new ATOM 3320 N SER D 15 4.006 30.525 7.999 1.00 12.63 N ATOM 3321 CA SER D 15 4.766 29.703 7.059 1.00 11.55 C ATOM 3322 C SER D 15 6.183 29.455 7.537 1.00 11.44 C ATOM 3323 O SER D 15 6.701 30.168 8.433 1.00 11.57 O ATOM 3324 CB SER D 15 4.854 30.363 5.693 1.00 13.43 C ATOM 3325 OG SER D 15 5.641 31.535 5.819 1.00 13.46 O ATOM 0 H SER D 15 3.904 31.349 7.775 1.00 12.63 H new ATOM 0 HA SER D 15 4.288 28.861 6.999 1.00 11.55 H new ATOM 0 HB2 SER D 15 5.251 29.756 5.049 1.00 13.43 H new ATOM 0 HB3 SER D 15 3.968 30.584 5.366 1.00 13.43 H new ATOM 0 HG SER D 15 5.580 31.991 5.116 1.00 13.46 H new ATOM 3326 N HIS D 16 6.831 28.442 7.000 1.00 10.18 N ATOM 3327 CA AHIS D 16 8.240 28.187 7.294 0.50 9.88 C ATOM 3328 CA BHIS D 16 8.233 28.201 7.345 0.50 11.53 C ATOM 3329 C HIS D 16 9.088 29.404 7.027 1.00 10.84 C ATOM 3330 O HIS D 16 9.981 29.743 7.868 1.00 11.02 O ATOM 3331 CB AHIS D 16 8.724 27.065 6.409 0.50 9.88 C ATOM 3332 CB BHIS D 16 8.743 26.931 6.655 0.50 12.62 C ATOM 3333 CG AHIS D 16 10.152 26.729 6.648 0.50 8.15 C ATOM 3334 CG BHIS D 16 8.405 25.688 7.409 0.50 17.35 C ATOM 3335 ND1AHIS D 16 10.572 26.010 7.754 0.50 11.00 N ATOM 3336 ND1BHIS D 16 8.797 25.485 8.721 0.50 19.54 N ATOM 3337 CD2AHIS D 16 11.262 27.042 5.944 0.50 10.49 C ATOM 3338 CD2BHIS D 16 7.673 24.604 7.065 0.50 22.43 C ATOM 3339 CE1AHIS D 16 11.893 25.901 7.711 0.50 12.18 C ATOM 3340 CE1BHIS D 16 8.348 24.323 9.141 0.50 15.44 C ATOM 3341 NE2AHIS D 16 12.333 26.508 6.621 0.50 15.09 N ATOM 3342 NE2BHIS D 16 7.663 23.764 8.152 0.50 21.81 N ATOM 0 H AHIS D 16 6.475 27.880 6.455 0.50 10.18 H new ATOM 0 H BHIS D 16 6.491 27.884 6.440 0.50 10.18 H new ATOM 0 HA AHIS D 16 8.318 27.955 8.233 0.50 11.53 H new ATOM 0 HA BHIS D 16 8.296 28.059 8.303 0.50 11.53 H new ATOM 0 HB2AHIS D 16 8.179 26.277 6.563 0.50 12.62 H new ATOM 0 HB2BHIS D 16 8.363 26.877 5.764 0.50 12.62 H new ATOM 0 HB3AHIS D 16 8.605 27.315 5.480 0.50 12.62 H new ATOM 0 HB3BHIS D 16 9.706 26.989 6.550 0.50 12.62 H new ATOM 0 HD2AHIS D 16 11.295 27.527 5.151 0.50 22.43 H new ATOM 0 HD2BHIS D 16 7.255 24.455 6.247 0.50 22.43 H new ATOM 0 HE1AHIS D 16 12.422 25.469 8.342 0.50 15.44 H new ATOM 0 HE1BHIS D 16 8.486 23.957 9.985 0.50 15.44 H new ATOM 0 HE2AHIS D 16 13.156 26.560 6.376 0.50 21.81 H new ATOM 0 HE2BHIS D 16 7.274 22.998 8.186 0.50 21.81 H new ATOM 3343 N AGLU D 17 8.817 30.158 5.959 0.50 9.43 N ATOM 3344 N BGLU D 17 8.919 30.023 5.882 0.50 11.35 N ATOM 3345 CA AGLU D 17 9.569 31.377 5.643 0.50 9.85 C ATOM 3346 CA BGLU D 17 9.824 31.075 5.535 0.50 12.64 C ATOM 3347 C AGLU D 17 9.325 32.516 6.618 0.50 9.73 C ATOM 3348 C BGLU D 17 9.623 32.274 6.476 0.50 11.87 C ATOM 3349 O AGLU D 17 10.266 33.278 6.961 0.50 9.91 O ATOM 3350 O BGLU D 17 10.618 32.824 6.965 0.50 11.06 O ATOM 3351 CB AGLU D 17 9.292 31.846 4.208 0.50 11.26 C ATOM 3352 CB BGLU D 17 9.743 31.396 4.038 0.50 14.26 C ATOM 3353 CG AGLU D 17 10.216 33.045 3.753 0.50 10.65 C ATOM 3354 CG BGLU D 17 10.570 30.490 3.160 0.50 20.06 C ATOM 3355 CD AGLU D 17 11.755 32.915 4.006 0.50 15.21 C ATOM 3356 CD BGLU D 17 12.033 30.307 3.623 0.50 24.01 C ATOM 3357 OE1AGLU D 17 12.323 31.840 4.166 0.50 19.30 O ATOM 3358 OE1BGLU D 17 12.778 31.300 3.750 0.50 28.04 O ATOM 3359 OE2AGLU D 17 12.421 33.949 4.027 0.50 19.55 O ATOM 3360 OE2BGLU D 17 12.444 29.152 3.832 0.50 26.13 O ATOM 0 H AGLU D 17 8.192 29.977 5.397 0.50 11.35 H new ATOM 0 H BGLU D 17 8.302 29.853 5.307 0.50 11.35 H new ATOM 0 HA AGLU D 17 10.504 31.132 5.728 0.50 12.64 H new ATOM 0 HA BGLU D 17 10.741 30.790 5.672 0.50 12.64 H new ATOM 0 HB2AGLU D 17 9.418 31.100 3.601 0.50 14.26 H new ATOM 0 HB2BGLU D 17 8.816 31.343 3.757 0.50 14.26 H new ATOM 0 HB3AGLU D 17 8.363 32.116 4.136 0.50 14.26 H new ATOM 0 HB3BGLU D 17 10.029 32.312 3.899 0.50 14.26 H new ATOM 0 HG2AGLU D 17 10.080 33.182 2.802 0.50 20.06 H new ATOM 0 HG2BGLU D 17 10.144 29.619 3.121 0.50 20.06 H new ATOM 0 HG3AGLU D 17 9.907 33.847 4.202 0.50 20.06 H new ATOM 0 HG3BGLU D 17 10.571 30.846 2.258 0.50 20.06 H new ATOM 3361 N AGLN D 18 8.093 32.648 7.082 0.50 10.06 N ATOM 3362 N BGLN D 18 8.387 32.622 6.834 0.50 11.15 N ATOM 3363 CA AGLN D 18 7.769 33.704 8.038 0.50 10.63 C ATOM 3364 CA BGLN D 18 8.160 33.710 7.806 0.50 11.60 C ATOM 3365 C AGLN D 18 8.477 33.413 9.330 0.50 9.47 C ATOM 3366 C BGLN D 18 8.792 33.354 9.139 0.50 9.76 C ATOM 3367 O AGLN D 18 8.952 34.319 10.042 0.50 9.66 O ATOM 3368 O BGLN D 18 9.495 34.205 9.727 0.50 10.16 O ATOM 3369 CB AGLN D 18 6.260 33.794 8.255 0.50 10.57 C ATOM 3370 CB BGLN D 18 6.674 34.024 7.997 0.50 11.63 C ATOM 3371 CG AGLN D 18 5.602 34.302 6.994 0.50 14.52 C ATOM 3372 CG BGLN D 18 6.403 35.200 8.911 0.50 14.88 C ATOM 3373 CD AGLN D 18 4.103 34.260 6.991 0.50 13.70 C ATOM 3374 CD BGLN D 18 6.969 36.492 8.343 0.50 18.28 C ATOM 3375 OE1AGLN D 18 3.429 33.397 7.609 0.50 11.69 O ATOM 3376 OE1BGLN D 18 7.729 37.196 9.010 0.50 22.85 O ATOM 3377 NE2AGLN D 18 3.556 35.219 6.284 0.50 16.45 N ATOM 3378 NE2BGLN D 18 6.658 36.771 7.077 0.50 19.72 N ATOM 0 H AGLN D 18 7.432 32.144 6.861 0.50 11.15 H new ATOM 0 H BGLN D 18 7.672 32.251 6.534 0.50 11.15 H new ATOM 0 HA AGLN D 18 8.063 34.560 7.691 0.50 11.60 H new ATOM 0 HA BGLN D 18 8.577 34.509 7.447 0.50 11.60 H new ATOM 0 HB2AGLN D 18 5.904 32.923 8.489 0.50 11.63 H new ATOM 0 HB2BGLN D 18 6.277 34.202 7.130 0.50 11.63 H new ATOM 0 HB3AGLN D 18 6.064 34.389 8.996 0.50 11.63 H new ATOM 0 HB3BGLN D 18 6.231 33.239 8.356 0.50 11.63 H new ATOM 0 HG2AGLN D 18 5.885 35.218 6.845 0.50 14.88 H new ATOM 0 HG2BGLN D 18 5.447 35.295 9.042 0.50 14.88 H new ATOM 0 HG3AGLN D 18 5.927 33.779 6.244 0.50 14.88 H new ATOM 0 HG3BGLN D 18 6.794 35.030 9.782 0.50 14.88 H new ATOM 0 HE21AGLN D 18 4.053 35.790 5.876 0.50 19.72 H new ATOM 0 HE21BGLN D 18 6.124 36.256 6.642 0.50 19.72 H new ATOM 0 HE22AGLN D 18 2.700 35.277 6.228 0.50 19.72 H new ATOM 0 HE22BGLN D 18 6.992 37.466 6.695 0.50 19.72 H new ATOM 3379 N PHE D 19 8.556 32.154 9.641 1.00 9.56 N ATOM 3380 CA PHE D 19 9.217 31.711 10.888 1.00 9.13 C ATOM 3381 C PHE D 19 10.714 31.936 10.829 1.00 10.02 C ATOM 3382 O PHE D 19 11.315 32.443 11.802 1.00 10.17 O ATOM 3383 CB PHE D 19 8.899 30.236 11.119 1.00 9.60 C ATOM 3384 CG PHE D 19 9.569 29.648 12.349 1.00 9.49 C ATOM 3385 CD1 PHE D 19 9.105 29.999 13.632 1.00 9.93 C ATOM 3386 CD2 PHE D 19 10.669 28.850 12.196 1.00 9.65 C ATOM 3387 CE1 PHE D 19 9.735 29.468 14.781 1.00 10.18 C ATOM 3388 CE2 PHE D 19 11.281 28.293 13.306 1.00 8.98 C ATOM 3389 CZ PHE D 19 10.843 28.616 14.581 1.00 9.94 C ATOM 0 H APHE D 19 8.239 31.517 9.158 0.50 9.56 H new ATOM 0 H BPHE D 19 8.024 31.576 9.290 0.50 9.56 H new ATOM 0 HA PHE D 19 8.879 32.237 11.630 1.00 9.13 H new ATOM 0 HB2 PHE D 19 7.938 30.131 11.203 1.00 9.60 H new ATOM 0 HB3 PHE D 19 9.173 29.729 10.339 1.00 9.60 H new ATOM 0 HD1 PHE D 19 8.384 30.580 13.723 1.00 9.93 H new ATOM 0 HD2 PHE D 19 11.006 28.681 11.346 1.00 9.65 H new ATOM 0 HE1 PHE D 19 9.431 29.672 15.636 1.00 10.18 H new ATOM 0 HE2 PHE D 19 11.989 27.700 13.196 1.00 8.98 H new ATOM 0 HZ PHE D 19 11.287 28.265 15.319 1.00 9.94 H new ATOM 3390 N AARG D 20 11.369 31.644 9.719 0.50 9.63 N ATOM 3391 N BARG D 20 11.355 31.561 9.737 0.50 10.02 N ATOM 3392 CA AARG D 20 12.810 31.895 9.614 0.50 10.14 C ATOM 3393 CA BARG D 20 12.793 31.768 9.600 0.50 10.78 C ATOM 3394 C AARG D 20 13.071 33.358 9.884 0.50 10.46 C ATOM 3395 C BARG D 20 13.160 33.263 9.714 0.50 10.57 C ATOM 3396 O AARG D 20 13.936 33.744 10.700 0.50 9.53 O ATOM 3397 O BARG D 20 14.192 33.547 10.355 0.50 10.03 O ATOM 3398 CB AARG D 20 13.238 31.614 8.177 0.50 9.95 C ATOM 3399 CB BARG D 20 13.281 31.143 8.283 0.50 10.87 C ATOM 3400 CG AARG D 20 14.687 31.954 7.914 0.50 10.63 C ATOM 3401 CG BARG D 20 14.786 31.227 8.103 0.50 12.74 C ATOM 3402 CD AARG D 20 15.040 31.698 6.415 0.50 16.02 C ATOM 3403 CD BARG D 20 15.202 31.083 6.647 0.50 15.07 C ATOM 3404 NE AARG D 20 14.598 32.801 5.589 0.50 23.91 N ATOM 3405 NE BARG D 20 16.613 31.422 6.562 0.50 21.58 N ATOM 3406 CZ AARG D 20 15.108 34.025 5.653 0.50 25.13 C ATOM 3407 CZ BARG D 20 17.561 30.518 6.364 0.50 21.96 C ATOM 3408 NH1AARG D 20 16.052 34.311 6.546 0.50 24.72 N ATOM 3409 NH1BARG D 20 18.828 30.903 6.321 0.50 22.98 N ATOM 3410 NH2AARG D 20 14.666 34.964 4.841 0.50 24.19 N ATOM 3411 NH2BARG D 20 17.228 29.244 6.188 0.50 24.87 N ATOM 0 H AARG D 20 11.009 31.303 9.017 0.50 10.02 H new ATOM 0 H BARG D 20 10.980 31.184 9.061 0.50 10.02 H new ATOM 0 HA AARG D 20 13.292 31.337 10.244 0.50 10.78 H new ATOM 0 HA BARG D 20 13.249 31.322 10.331 0.50 10.78 H new ATOM 0 HB2AARG D 20 13.090 30.676 7.979 0.50 10.87 H new ATOM 0 HB2BARG D 20 13.009 30.212 8.253 0.50 10.87 H new ATOM 0 HB3AARG D 20 12.677 32.124 7.572 0.50 10.87 H new ATOM 0 HB3BARG D 20 12.847 31.590 7.539 0.50 10.87 H new ATOM 0 HG2AARG D 20 14.854 32.883 8.138 0.50 12.74 H new ATOM 0 HG2BARG D 20 15.104 32.077 8.445 0.50 12.74 H new ATOM 0 HG3AARG D 20 15.260 31.418 8.484 0.50 12.74 H new ATOM 0 HG3BARG D 20 15.212 30.532 8.629 0.50 12.74 H new ATOM 0 HD2AARG D 20 15.998 31.580 6.319 0.50 15.07 H new ATOM 0 HD2BARG D 20 15.049 30.177 6.336 0.50 15.07 H new ATOM 0 HD3AARG D 20 14.622 30.876 6.115 0.50 15.07 H new ATOM 0 HD3BARG D 20 14.675 31.669 6.082 0.50 15.07 H new ATOM 0 HE AARG D 20 13.967 32.655 5.023 0.50 21.58 H new ATOM 0 HE BARG D 20 16.843 32.247 6.644 0.50 21.58 H new ATOM 0 HH11AARG D 20 16.334 33.702 7.084 0.50 22.98 H new ATOM 0 HH11BARG D 20 19.029 31.733 6.421 0.50 22.98 H new ATOM 0 HH12AARG D 20 16.381 35.105 6.585 0.50 22.98 H new ATOM 0 HH12BARG D 20 19.450 30.323 6.193 0.50 22.98 H new ATOM 0 HH21AARG D 20 14.048 34.783 4.271 0.50 24.87 H new ATOM 0 HH21BARG D 20 16.401 29.010 6.203 0.50 24.87 H new ATOM 0 HH22AARG D 20 14.995 35.757 4.881 0.50 24.87 H new ATOM 0 HH22BARG D 20 17.840 28.654 6.059 0.50 24.87 H new ATOM 3412 N LYS D 21 12.329 34.192 9.197 1.00 10.13 N ATOM 3413 CA LYS D 21 12.584 35.651 9.292 1.00 11.12 C ATOM 3414 C LYS D 21 12.376 36.040 10.735 1.00 11.20 C ATOM 3415 O LYS D 21 13.155 36.868 11.238 1.00 12.06 O ATOM 3416 CB LYS D 21 11.634 36.450 8.381 1.00 13.42 C ATOM 3417 CG LYS D 21 12.008 36.261 6.927 1.00 18.32 C ATOM 3418 CD LYS D 21 10.995 37.031 6.120 1.00 24.50 C ATOM 3419 CE LYS D 21 11.193 36.765 4.633 1.00 28.50 C ATOM 3420 NZ LYS D 21 9.968 37.267 3.957 1.00 32.14 N ATOM 0 H ALYS D 21 11.684 33.964 8.676 0.50 10.13 H new ATOM 0 H BLYS D 21 11.602 33.994 8.782 0.50 10.13 H new ATOM 0 HA LYS D 21 13.487 35.852 8.999 1.00 11.12 H new ATOM 0 HB2 LYS D 21 10.720 36.161 8.525 1.00 13.42 H new ATOM 0 HB3 LYS D 21 11.673 37.392 8.611 1.00 13.42 H new ATOM 0 HG2 LYS D 21 12.905 36.587 6.756 1.00 18.32 H new ATOM 0 HG3 LYS D 21 11.998 35.321 6.687 1.00 18.32 H new ATOM 0 HD2 LYS D 21 10.098 36.774 6.385 1.00 24.50 H new ATOM 0 HD3 LYS D 21 11.082 37.980 6.300 1.00 24.50 H new ATOM 0 HE2 LYS D 21 11.983 37.220 4.302 1.00 28.50 H new ATOM 0 HE3 LYS D 21 11.319 35.818 4.464 1.00 28.50 H new ATOM 0 HZ1 LYS D 21 10.037 37.133 3.080 1.00 32.14 H new ATOM 0 HZ2 LYS D 21 9.257 36.832 4.269 1.00 32.14 H new ATOM 0 HZ3 LYS D 21 9.876 38.138 4.117 1.00 32.14 H new ATOM 3421 N GLU D 22 11.387 35.498 11.439 1.00 9.24 N ATOM 3422 CA GLU D 22 11.185 35.888 12.857 1.00 10.81 C ATOM 3423 C GLU D 22 12.291 35.336 13.767 1.00 10.13 C ATOM 3424 O GLU D 22 12.599 35.995 14.792 1.00 9.45 O ATOM 3425 CB GLU D 22 9.839 35.447 13.372 1.00 10.86 C ATOM 3426 CG GLU D 22 8.639 36.118 12.649 1.00 14.09 C ATOM 3427 CD GLU D 22 8.680 37.622 12.657 1.00 19.02 C ATOM 3428 OE1 GLU D 22 8.354 38.263 11.597 1.00 22.29 O ATOM 3429 OE2 GLU D 22 9.032 38.223 13.686 1.00 16.54 O ATOM 0 H GLU D 22 10.830 34.917 11.136 1.00 9.24 H new ATOM 0 HA GLU D 22 11.224 36.857 12.879 1.00 10.81 H new ATOM 0 HB2 GLU D 22 9.766 34.484 13.277 1.00 10.86 H new ATOM 0 HB3 GLU D 22 9.785 35.643 14.320 1.00 10.86 H new ATOM 0 HG2 GLU D 22 8.614 35.810 11.730 1.00 14.09 H new ATOM 0 HG3 GLU D 22 7.815 35.824 13.069 1.00 14.09 H new ATOM 3430 N CYS D 23 12.888 34.213 13.433 1.00 9.61 N ATOM 3431 CA CYS D 23 14.027 33.719 14.195 1.00 8.62 C ATOM 3432 C CYS D 23 15.145 34.756 14.101 1.00 10.16 C ATOM 3433 O CYS D 23 15.810 35.070 15.112 1.00 9.91 O ATOM 3434 CB CYS D 23 14.537 32.385 13.643 1.00 9.47 C ATOM 3435 SG CYS D 23 13.542 30.965 14.023 1.00 10.71 S ATOM 0 H CYS D 23 12.655 33.717 12.770 1.00 9.61 H new ATOM 0 HA CYS D 23 13.752 33.576 15.114 1.00 8.62 H new ATOM 0 HB2 CYS D 23 14.610 32.460 12.679 1.00 9.47 H new ATOM 0 HB3 CYS D 23 15.432 32.233 13.985 1.00 9.47 H new ATOM 0 HG CYS D 23 14.039 29.986 13.538 1.00 10.71 H new ATOM 3436 N VAL D 24 15.406 35.309 12.908 1.00 10.35 N ATOM 3437 CA VAL D 24 16.480 36.304 12.731 1.00 10.35 C ATOM 3438 C VAL D 24 16.114 37.544 13.523 1.00 9.90 C ATOM 3439 O VAL D 24 16.997 38.085 14.237 1.00 11.35 O ATOM 3440 CB VAL D 24 16.647 36.659 11.246 1.00 11.06 C ATOM 3441 CG1 VAL D 24 17.745 37.703 11.065 1.00 14.04 C ATOM 3442 CG2 VAL D 24 17.078 35.458 10.488 1.00 14.70 C ATOM 0 H VAL D 24 14.974 35.122 12.188 1.00 10.35 H new ATOM 0 HA VAL D 24 17.321 35.938 13.048 1.00 10.35 H new ATOM 0 HB VAL D 24 15.795 36.996 10.927 1.00 11.06 H new ATOM 0 HG11 VAL D 24 17.837 37.916 10.123 1.00 14.04 H new ATOM 0 HG12 VAL D 24 17.512 38.506 11.556 1.00 14.04 H new ATOM 0 HG13 VAL D 24 18.584 37.352 11.401 1.00 14.04 H new ATOM 0 HG21 VAL D 24 17.182 35.687 9.551 1.00 14.70 H new ATOM 0 HG22 VAL D 24 17.925 35.140 10.839 1.00 14.70 H new ATOM 0 HG23 VAL D 24 16.409 34.761 10.578 1.00 14.70 H new ATOM 3443 N VAL D 25 14.874 37.988 13.497 1.00 9.54 N ATOM 3444 CA VAL D 25 14.459 39.145 14.290 1.00 10.80 C ATOM 3445 C VAL D 25 14.702 38.857 15.766 1.00 10.33 C ATOM 3446 O VAL D 25 15.247 39.716 16.501 1.00 10.02 O ATOM 3447 CB VAL D 25 12.980 39.508 14.043 1.00 10.84 C ATOM 3448 CG1 VAL D 25 12.448 40.528 15.037 1.00 12.49 C ATOM 3449 CG2 VAL D 25 12.779 40.036 12.582 1.00 13.55 C ATOM 0 H VAL D 25 14.247 37.636 13.025 1.00 9.54 H new ATOM 0 HA VAL D 25 14.989 39.910 14.016 1.00 10.80 H new ATOM 0 HB VAL D 25 12.472 38.691 14.169 1.00 10.84 H new ATOM 0 HG11 VAL D 25 11.518 40.720 14.838 1.00 12.49 H new ATOM 0 HG12 VAL D 25 12.518 40.171 15.936 1.00 12.49 H new ATOM 0 HG13 VAL D 25 12.967 41.345 14.972 1.00 12.49 H new ATOM 0 HG21 VAL D 25 11.845 40.259 12.444 1.00 13.55 H new ATOM 0 HG22 VAL D 25 13.324 40.827 12.446 1.00 13.55 H new ATOM 0 HG23 VAL D 25 13.044 39.349 11.950 1.00 13.55 H new ATOM 3450 N HIS D 26 14.362 37.665 16.221 1.00 9.03 N ATOM 3451 CA HIS D 26 14.499 37.342 17.657 1.00 8.76 C ATOM 3452 C HIS D 26 15.971 37.396 18.041 1.00 8.77 C ATOM 3453 O HIS D 26 16.310 37.863 19.184 1.00 7.97 O ATOM 3454 CB HIS D 26 13.941 35.977 17.958 1.00 7.37 C ATOM 3455 CG HIS D 26 13.440 35.832 19.336 1.00 7.91 C ATOM 3456 ND1 HIS D 26 12.423 36.640 19.841 1.00 8.34 N ATOM 3457 CD2 HIS D 26 13.733 34.915 20.282 1.00 8.80 C ATOM 3458 CE1 HIS D 26 12.132 36.213 21.061 1.00 9.83 C ATOM 3459 NE2 HIS D 26 12.936 35.200 21.368 1.00 10.73 N ATOM 0 H HIS D 26 14.053 37.027 15.734 1.00 9.03 H new ATOM 0 HA HIS D 26 13.998 37.992 18.174 1.00 8.76 H new ATOM 0 HB2 HIS D 26 13.219 35.788 17.338 1.00 7.37 H new ATOM 0 HB3 HIS D 26 14.630 35.313 17.802 1.00 7.37 H new ATOM 0 HD1 HIS D 26 12.050 37.299 19.433 1.00 8.34 H new ATOM 0 HD2 HIS D 26 14.353 34.225 20.214 1.00 8.80 H new ATOM 0 HE1 HIS D 26 11.472 36.565 21.613 1.00 9.83 H new ATOM 3460 N PHE D 27 16.844 36.899 17.177 1.00 8.20 N ATOM 3461 CA PHE D 27 18.270 37.007 17.437 1.00 8.90 C ATOM 3462 C PHE D 27 18.724 38.472 17.522 1.00 9.11 C ATOM 3463 O PHE D 27 19.466 38.869 18.458 1.00 8.48 O ATOM 3464 CB PHE D 27 19.108 36.233 16.427 1.00 8.89 C ATOM 3465 CG PHE D 27 20.571 36.451 16.635 1.00 8.42 C ATOM 3466 CD1 PHE D 27 21.292 35.742 17.601 1.00 11.17 C ATOM 3467 CD2 PHE D 27 21.242 37.378 15.859 1.00 11.53 C ATOM 3468 CE1 PHE D 27 22.614 35.983 17.842 1.00 12.65 C ATOM 3469 CE2 PHE D 27 22.618 37.552 16.068 1.00 14.23 C ATOM 3470 CZ PHE D 27 23.284 36.839 17.066 1.00 13.78 C ATOM 0 H PHE D 27 16.635 36.501 16.444 1.00 8.20 H new ATOM 0 HA PHE D 27 18.419 36.598 18.304 1.00 8.90 H new ATOM 0 HB2 PHE D 27 18.909 35.286 16.499 1.00 8.89 H new ATOM 0 HB3 PHE D 27 18.865 36.506 15.529 1.00 8.89 H new ATOM 0 HD1 PHE D 27 20.857 35.085 18.095 1.00 11.17 H new ATOM 0 HD2 PHE D 27 20.792 37.874 15.214 1.00 11.53 H new ATOM 0 HE1 PHE D 27 23.046 35.553 18.544 1.00 12.65 H new ATOM 0 HE2 PHE D 27 23.092 38.149 15.536 1.00 14.23 H new ATOM 0 HZ PHE D 27 24.198 36.960 17.191 1.00 13.78 H new ATOM 3471 N AGLN D 28 18.319 39.280 16.556 0.50 8.69 N ATOM 3472 N BGLN D 28 18.303 39.293 16.560 0.50 9.40 N ATOM 3473 CA AGLN D 28 18.685 40.703 16.570 0.50 9.63 C ATOM 3474 CA BGLN D 28 18.641 40.738 16.581 0.50 11.03 C ATOM 3475 C AGLN D 28 18.196 41.386 17.846 0.50 10.34 C ATOM 3476 C BGLN D 28 18.200 41.377 17.875 0.50 11.04 C ATOM 3477 O AGLN D 28 18.930 42.186 18.429 0.50 11.58 O ATOM 3478 O BGLN D 28 18.937 42.164 18.471 0.50 12.04 O ATOM 3479 CB AGLN D 28 18.132 41.379 15.314 0.50 10.63 C ATOM 3480 CB BGLN D 28 17.957 41.489 15.434 0.50 12.41 C ATOM 3481 CG AGLN D 28 18.786 40.902 14.036 0.50 11.37 C ATOM 3482 CG BGLN D 28 18.524 42.887 15.234 0.50 17.80 C ATOM 3483 CD AGLN D 28 18.042 41.446 12.816 0.50 15.25 C ATOM 3484 CD BGLN D 28 19.783 42.885 14.372 0.50 24.85 C ATOM 3485 OE1AGLN D 28 16.831 41.419 12.770 0.50 14.96 O ATOM 3486 OE1BGLN D 28 20.431 41.842 14.188 0.50 28.05 O ATOM 3487 NE2AGLN D 28 18.780 41.984 11.859 0.50 22.63 N ATOM 3488 NE2BGLN D 28 20.143 44.055 13.850 0.50 27.23 N ATOM 0 H AGLN D 28 17.837 39.036 15.887 0.50 9.40 H new ATOM 0 H BGLN D 28 17.825 39.046 15.889 0.50 9.40 H new ATOM 0 HA AGLN D 28 19.651 40.786 16.565 0.50 11.03 H new ATOM 0 HA BGLN D 28 19.605 40.798 16.487 0.50 11.03 H new ATOM 0 HB2AGLN D 28 17.177 41.216 15.261 0.50 12.41 H new ATOM 0 HB2BGLN D 28 18.058 40.982 14.613 0.50 12.41 H new ATOM 0 HB3AGLN D 28 18.252 42.338 15.392 0.50 12.41 H new ATOM 0 HB3BGLN D 28 17.006 41.551 15.614 0.50 12.41 H new ATOM 0 HG2AGLN D 28 19.711 41.192 14.013 0.50 17.80 H new ATOM 0 HG2BGLN D 28 17.852 43.450 14.819 0.50 17.80 H new ATOM 0 HG3AGLN D 28 18.792 39.932 14.012 0.50 17.80 H new ATOM 0 HG3BGLN D 28 18.727 43.278 16.098 0.50 17.80 H new ATOM 0 HE21AGLN D 28 19.637 41.985 11.926 0.50 27.23 H new ATOM 0 HE21BGLN D 28 19.669 44.757 13.999 0.50 27.23 H new ATOM 0 HE22AGLN D 28 18.402 42.333 11.170 0.50 27.23 H new ATOM 0 HE22BGLN D 28 20.850 44.109 13.363 0.50 27.23 H new ATOM 3489 N MET D 29 16.994 41.068 18.316 1.00 9.95 N ATOM 3490 CA MET D 29 16.444 41.688 19.497 1.00 9.31 C ATOM 3491 C MET D 29 17.279 41.375 20.725 1.00 10.47 C ATOM 3492 O MET D 29 17.299 42.168 21.678 1.00 10.30 O ATOM 3493 CB MET D 29 15.054 41.243 19.756 1.00 10.32 C ATOM 3494 CG MET D 29 14.020 41.796 18.747 1.00 12.30 C ATOM 3495 SD MET D 29 12.415 40.987 19.044 1.00 13.81 S ATOM 3496 CE MET D 29 11.311 42.071 18.100 1.00 15.08 C ATOM 0 H AMET D 29 16.479 40.484 17.952 0.50 9.95 H new ATOM 0 H BMET D 29 16.475 40.495 17.939 0.50 9.95 H new ATOM 0 HA MET D 29 16.450 42.643 19.328 1.00 9.31 H new ATOM 0 HB2 MET D 29 15.025 40.274 19.736 1.00 10.32 H new ATOM 0 HB3 MET D 29 14.798 41.516 20.651 1.00 10.32 H new ATOM 0 HG2 MET D 29 13.935 42.757 18.847 1.00 12.30 H new ATOM 0 HG3 MET D 29 14.316 41.630 17.838 1.00 12.30 H new ATOM 0 HE1 MET D 29 10.467 41.618 17.946 1.00 15.08 H new ATOM 0 HE2 MET D 29 11.153 42.887 18.600 1.00 15.08 H new ATOM 0 HE3 MET D 29 11.721 42.288 17.248 1.00 15.08 H new ATOM 3497 N SER D 30 17.884 40.195 20.766 1.00 8.61 N ATOM 3498 CA SER D 30 18.616 39.718 21.947 1.00 9.31 C ATOM 3499 C SER D 30 19.920 40.448 22.216 1.00 8.89 C ATOM 3500 O SER D 30 20.512 40.257 23.293 1.00 9.07 O ATOM 3501 CB SER D 30 18.907 38.178 21.795 1.00 9.33 C ATOM 3502 OG SER D 30 19.952 37.919 20.914 1.00 9.01 O ATOM 0 H SER D 30 17.885 39.641 20.108 1.00 8.61 H new ATOM 0 HA SER D 30 18.042 39.900 22.708 1.00 9.31 H new ATOM 0 HB2 SER D 30 19.121 37.805 22.664 1.00 9.33 H new ATOM 0 HB3 SER D 30 18.106 37.729 21.483 1.00 9.33 H new ATOM 0 HG SER D 30 19.770 38.242 20.160 1.00 9.01 H new ATOM 3503 N ALA D 31 20.456 41.193 21.258 1.00 8.02 N ATOM 3504 CA ALA D 31 21.769 41.830 21.428 1.00 8.56 C ATOM 3505 C ALA D 31 21.751 42.693 22.691 1.00 8.16 C ATOM 3506 O ALA D 31 20.858 43.513 22.891 1.00 7.70 O ATOM 3507 CB ALA D 31 22.131 42.721 20.201 1.00 9.36 C ATOM 0 H ALA D 31 20.081 41.346 20.500 1.00 8.02 H new ATOM 0 HA ALA D 31 22.438 41.132 21.505 1.00 8.56 H new ATOM 0 HB1 ALA D 31 23.001 43.127 20.341 1.00 9.36 H new ATOM 0 HB2 ALA D 31 22.155 42.175 19.400 1.00 9.36 H new ATOM 0 HB3 ALA D 31 21.463 43.416 20.097 1.00 9.36 H new ATOM 3508 N GLY D 32 22.709 42.481 23.557 1.00 7.85 N ATOM 3509 CA GLY D 32 22.831 43.355 24.727 1.00 7.75 C ATOM 3510 C GLY D 32 21.728 43.178 25.725 1.00 7.49 C ATOM 3511 O GLY D 32 21.508 44.077 26.553 1.00 8.16 O ATOM 0 H GLY D 32 23.295 41.854 23.502 1.00 7.85 H new ATOM 0 HA2 GLY D 32 23.681 43.184 25.162 1.00 7.75 H new ATOM 0 HA3 GLY D 32 22.844 44.279 24.431 1.00 7.75 H new ATOM 3512 N AMET D 33 21.056 42.028 25.732 0.50 7.12 N ATOM 3513 N BMET D 33 21.027 42.047 25.728 0.50 7.65 N ATOM 3514 CA AMET D 33 19.990 41.674 26.652 0.50 6.75 C ATOM 3515 CA BMET D 33 19.988 41.851 26.696 0.50 8.32 C ATOM 3516 C AMET D 33 20.519 41.606 28.110 0.50 8.18 C ATOM 3517 C BMET D 33 20.641 41.761 28.063 0.50 8.72 C ATOM 3518 O AMET D 33 21.385 40.835 28.400 0.50 6.99 O ATOM 3519 O BMET D 33 21.720 41.123 28.223 0.50 7.72 O ATOM 3520 CB AMET D 33 19.503 40.301 26.243 0.50 7.94 C ATOM 3521 CB BMET D 33 19.194 40.607 26.428 0.50 9.07 C ATOM 3522 CG AMET D 33 18.404 39.766 27.137 0.50 6.79 C ATOM 3523 CG BMET D 33 18.137 40.332 27.431 0.50 13.34 C ATOM 3524 SD AMET D 33 16.870 40.726 27.286 0.50 8.53 S ATOM 3525 SD BMET D 33 16.898 39.252 26.740 0.50 19.82 S ATOM 3526 CE AMET D 33 16.290 40.738 25.592 0.50 13.50 C ATOM 3527 CE BMET D 33 16.366 40.173 25.257 0.50 14.22 C ATOM 0 H AMET D 33 21.223 41.402 25.167 0.50 7.65 H new ATOM 0 H BMET D 33 21.145 41.395 25.180 0.50 7.65 H new ATOM 0 HA AMET D 33 19.283 42.338 26.619 0.50 8.32 H new ATOM 0 HA BMET D 33 19.368 42.596 26.650 0.50 8.32 H new ATOM 0 HB2AMET D 33 19.179 40.338 25.329 0.50 9.07 H new ATOM 0 HB2BMET D 33 18.783 40.680 25.552 0.50 9.07 H new ATOM 0 HB3AMET D 33 20.250 39.683 26.254 0.50 9.07 H new ATOM 0 HB3BMET D 33 19.799 39.850 26.395 0.50 9.07 H new ATOM 0 HG2AMET D 33 18.169 38.880 26.819 0.50 13.34 H new ATOM 0 HG2BMET D 33 18.528 39.924 28.219 0.50 13.34 H new ATOM 0 HG3AMET D 33 18.773 39.659 28.028 0.50 13.34 H new ATOM 0 HG3BMET D 33 17.728 41.164 27.716 0.50 13.34 H new ATOM 0 HE1AMET D 33 15.492 41.285 25.527 0.50 14.22 H new ATOM 0 HE1BMET D 33 15.412 40.342 25.305 0.50 14.22 H new ATOM 0 HE2AMET D 33 16.980 41.104 25.016 0.50 14.22 H new ATOM 0 HE2BMET D 33 16.841 41.017 25.212 0.50 14.22 H new ATOM 0 HE3AMET D 33 16.084 39.832 25.314 0.50 14.22 H new ATOM 0 HE3BMET D 33 16.562 39.650 24.464 0.50 14.22 H new ATOM 3528 N PRO D 34 19.977 42.403 29.042 1.00 8.09 N ATOM 3529 CA PRO D 34 20.483 42.336 30.429 1.00 8.69 C ATOM 3530 C PRO D 34 20.578 40.883 30.930 1.00 8.55 C ATOM 3531 O PRO D 34 19.641 40.096 30.752 1.00 8.70 O ATOM 3532 CB PRO D 34 19.434 43.130 31.242 1.00 8.65 C ATOM 3533 CG PRO D 34 18.960 44.214 30.201 1.00 9.52 C ATOM 3534 CD PRO D 34 18.905 43.423 28.913 1.00 8.58 C ATOM 0 HA PRO D 34 21.380 42.696 30.511 1.00 8.69 H new ATOM 0 HB2 PRO D 34 18.702 42.566 31.537 1.00 8.65 H new ATOM 0 HB3 PRO D 34 19.820 43.533 32.035 1.00 8.65 H new ATOM 0 HG2 PRO D 34 18.095 44.586 30.434 1.00 9.52 H new ATOM 0 HG3 PRO D 34 19.582 44.956 30.143 1.00 9.52 H new ATOM 0 HD2 PRO D 34 18.037 43.007 28.793 1.00 8.58 H new ATOM 0 HD3 PRO D 34 19.054 43.994 28.143 1.00 8.58 H new ATOM 3535 N GLY D 35 21.705 40.608 31.584 1.00 8.44 N ATOM 3536 CA GLY D 35 21.890 39.307 32.210 1.00 10.33 C ATOM 3537 C GLY D 35 22.228 38.177 31.261 1.00 10.42 C ATOM 3538 O GLY D 35 22.659 37.117 31.714 1.00 11.22 O ATOM 0 H GLY D 35 22.364 41.153 31.675 1.00 8.44 H new ATOM 0 HA2 GLY D 35 22.598 39.379 32.869 1.00 10.33 H new ATOM 0 HA3 GLY D 35 21.079 39.076 32.689 1.00 10.33 H new ATOM 3539 N LEU D 36 22.072 38.354 29.943 1.00 9.70 N ATOM 3540 CA LEU D 36 22.308 37.270 29.008 1.00 10.17 C ATOM 3541 C LEU D 36 23.739 37.278 28.496 1.00 11.50 C ATOM 3542 O LEU D 36 24.276 38.318 28.086 1.00 13.74 O ATOM 3543 CB LEU D 36 21.307 37.440 27.874 1.00 11.67 C ATOM 3544 CG LEU D 36 21.350 36.358 26.770 1.00 9.81 C ATOM 3545 CD1 LEU D 36 20.846 35.052 27.319 1.00 10.16 C ATOM 3546 CD2 LEU D 36 20.388 36.805 25.626 1.00 12.92 C ATOM 0 H LEU D 36 21.831 39.095 29.580 1.00 9.70 H new ATOM 0 HA LEU D 36 22.188 36.411 29.443 1.00 10.17 H new ATOM 0 HB2 LEU D 36 20.414 37.456 28.253 1.00 11.67 H new ATOM 0 HB3 LEU D 36 21.455 38.305 27.461 1.00 11.67 H new ATOM 0 HG LEU D 36 22.259 36.249 26.449 1.00 9.81 H new ATOM 0 HD11 LEU D 36 20.874 34.376 26.624 1.00 10.16 H new ATOM 0 HD12 LEU D 36 21.406 34.775 28.062 1.00 10.16 H new ATOM 0 HD13 LEU D 36 19.932 35.161 27.626 1.00 10.16 H new ATOM 0 HD21 LEU D 36 20.396 36.142 24.918 1.00 12.92 H new ATOM 0 HD22 LEU D 36 19.488 36.893 25.976 1.00 12.92 H new ATOM 0 HD23 LEU D 36 20.681 37.659 25.271 1.00 12.92 H new ATOM 3547 N HIS D 37 24.416 36.157 28.512 1.00 9.67 N ATOM 3548 CA HIS D 37 25.732 36.095 27.962 1.00 11.62 C ATOM 3549 C HIS D 37 25.716 35.886 26.442 1.00 12.77 C ATOM 3550 O HIS D 37 26.562 36.455 25.721 1.00 14.10 O ATOM 3551 CB HIS D 37 26.563 34.973 28.607 1.00 12.13 C ATOM 3552 CG HIS D 37 27.909 34.787 27.972 1.00 14.67 C ATOM 3553 ND1 HIS D 37 28.883 35.756 28.056 1.00 21.01 N ATOM 3554 CD2 HIS D 37 28.406 33.802 27.185 1.00 21.30 C ATOM 3555 CE1 HIS D 37 29.945 35.358 27.371 1.00 21.98 C ATOM 3556 NE2 HIS D 37 29.679 34.191 26.815 1.00 23.85 N ATOM 0 H HIS D 37 24.125 35.417 28.840 1.00 9.67 H new ATOM 0 HA HIS D 37 26.141 36.953 28.156 1.00 11.62 H new ATOM 0 HB2 HIS D 37 26.682 35.169 29.550 1.00 12.13 H new ATOM 0 HB3 HIS D 37 26.069 34.140 28.551 1.00 12.13 H new ATOM 0 HD2 HIS D 37 27.973 33.016 26.941 1.00 21.30 H new ATOM 0 HE1 HIS D 37 30.746 35.824 27.295 1.00 21.98 H new ATOM 0 HE2 HIS D 37 30.211 33.746 26.306 1.00 23.85 H new ATOM 3557 N LYS D 38 24.822 35.015 25.964 1.00 10.01 N ATOM 3558 CA LYS D 38 24.781 34.634 24.529 1.00 10.97 C ATOM 3559 C LYS D 38 23.369 34.048 24.301 1.00 8.28 C ATOM 3560 O LYS D 38 22.791 33.380 25.178 1.00 7.58 O ATOM 3561 CB LYS D 38 25.874 33.577 24.232 1.00 10.44 C ATOM 3562 CG LYS D 38 25.896 33.047 22.821 1.00 12.59 C ATOM 3563 CD LYS D 38 27.047 31.984 22.693 1.00 12.65 C ATOM 3564 CE LYS D 38 26.864 31.278 21.373 1.00 15.70 C ATOM 3565 NZ LYS D 38 27.987 30.362 21.137 1.00 20.80 N ATOM 0 H LYS D 38 24.226 34.628 26.449 1.00 10.01 H new ATOM 0 HA LYS D 38 24.950 35.388 23.942 1.00 10.97 H new ATOM 0 HB2 LYS D 38 26.740 33.966 24.428 1.00 10.44 H new ATOM 0 HB3 LYS D 38 25.754 32.831 24.840 1.00 10.44 H new ATOM 0 HG2 LYS D 38 25.042 32.644 22.601 1.00 12.59 H new ATOM 0 HG3 LYS D 38 26.038 33.772 22.193 1.00 12.59 H new ATOM 0 HD2 LYS D 38 27.915 32.414 22.733 1.00 12.65 H new ATOM 0 HD3 LYS D 38 27.010 31.351 23.427 1.00 12.65 H new ATOM 0 HE2 LYS D 38 26.029 30.785 21.374 1.00 15.70 H new ATOM 0 HE3 LYS D 38 26.809 31.927 20.655 1.00 15.70 H new ATOM 0 HZ1 LYS D 38 27.690 29.624 20.737 1.00 20.80 H new ATOM 0 HZ2 LYS D 38 28.590 30.759 20.616 1.00 20.80 H new ATOM 0 HZ3 LYS D 38 28.363 30.147 21.914 1.00 20.80 H new ATOM 3566 N TYR D 39 22.861 34.271 23.075 1.00 8.43 N ATOM 3567 CA TYR D 39 21.653 33.616 22.522 1.00 8.37 C ATOM 3568 C TYR D 39 22.044 33.094 21.179 1.00 8.52 C ATOM 3569 O TYR D 39 22.728 33.772 20.421 1.00 11.53 O ATOM 3570 CB TYR D 39 20.503 34.617 22.397 1.00 8.97 C ATOM 3571 CG TYR D 39 19.305 34.004 21.735 1.00 8.64 C ATOM 3572 CD1 TYR D 39 18.600 32.944 22.319 1.00 8.85 C ATOM 3573 CD2 TYR D 39 18.809 34.525 20.535 1.00 8.24 C ATOM 3574 CE1 TYR D 39 17.477 32.384 21.710 1.00 8.92 C ATOM 3575 CE2 TYR D 39 17.742 33.953 19.908 1.00 9.24 C ATOM 3576 CZ TYR D 39 17.024 32.921 20.499 1.00 7.75 C ATOM 3577 OH TYR D 39 15.927 32.412 19.846 1.00 10.01 O ATOM 0 H TYR D 39 23.221 34.825 22.524 1.00 8.43 H new ATOM 0 HA TYR D 39 21.342 32.903 23.102 1.00 8.37 H new ATOM 0 HB2 TYR D 39 20.257 34.939 23.278 1.00 8.97 H new ATOM 0 HB3 TYR D 39 20.798 35.387 21.885 1.00 8.97 H new ATOM 0 HD1 TYR D 39 18.889 32.604 23.135 1.00 8.85 H new ATOM 0 HD2 TYR D 39 19.214 35.273 20.159 1.00 8.24 H new ATOM 0 HE1 TYR D 39 17.036 31.665 22.102 1.00 8.92 H new ATOM 0 HE2 TYR D 39 17.490 34.260 19.067 1.00 9.24 H new ATOM 0 HH TYR D 39 15.454 31.978 20.388 1.00 10.01 H new ATOM 3578 N GLU D 40 21.593 31.897 20.881 1.00 7.06 N ATOM 3579 CA GLU D 40 21.768 31.330 19.554 1.00 7.52 C ATOM 3580 C GLU D 40 20.451 30.730 19.119 1.00 7.47 C ATOM 3581 O GLU D 40 19.798 30.049 19.922 1.00 7.81 O ATOM 3582 CB GLU D 40 22.887 30.269 19.587 1.00 7.15 C ATOM 3583 CG GLU D 40 23.245 29.667 18.182 1.00 8.77 C ATOM 3584 CD GLU D 40 24.454 28.826 18.164 1.00 9.71 C ATOM 3585 OE1 GLU D 40 24.690 28.019 19.053 1.00 9.73 O ATOM 3586 OE2 GLU D 40 25.228 29.018 17.177 1.00 13.03 O ATOM 0 H GLU D 40 21.178 31.387 21.435 1.00 7.06 H new ATOM 0 HA GLU D 40 22.030 32.014 18.918 1.00 7.52 H new ATOM 0 HB2 GLU D 40 23.685 30.667 19.970 1.00 7.15 H new ATOM 0 HB3 GLU D 40 22.618 29.548 20.177 1.00 7.15 H new ATOM 0 HG2 GLU D 40 22.494 29.139 17.869 1.00 8.77 H new ATOM 0 HG3 GLU D 40 23.363 30.395 17.552 1.00 8.77 H new ATOM 3587 N VAL D 41 20.116 30.903 17.840 1.00 7.89 N ATOM 3588 CA VAL D 41 18.989 30.226 17.253 1.00 7.63 C ATOM 3589 C VAL D 41 19.390 29.686 15.871 1.00 7.26 C ATOM 3590 O VAL D 41 20.012 30.390 15.117 1.00 8.70 O ATOM 3591 CB VAL D 41 17.716 31.129 17.220 1.00 8.07 C ATOM 3592 CG1 VAL D 41 17.895 32.346 16.349 1.00 9.25 C ATOM 3593 CG2 VAL D 41 16.490 30.332 16.783 1.00 8.93 C ATOM 0 H VAL D 41 20.542 31.418 17.298 1.00 7.89 H new ATOM 0 HA VAL D 41 18.742 29.470 17.809 1.00 7.63 H new ATOM 0 HB VAL D 41 17.575 31.444 18.126 1.00 8.07 H new ATOM 0 HG11 VAL D 41 17.082 32.874 16.360 1.00 9.25 H new ATOM 0 HG12 VAL D 41 18.631 32.880 16.686 1.00 9.25 H new ATOM 0 HG13 VAL D 41 18.088 32.068 15.440 1.00 9.25 H new ATOM 0 HG21 VAL D 41 15.714 30.913 16.770 1.00 8.93 H new ATOM 0 HG22 VAL D 41 16.638 29.971 15.895 1.00 8.93 H new ATOM 0 HG23 VAL D 41 16.338 29.604 17.406 1.00 8.93 H new ATOM 3594 N ARG D 42 18.994 28.449 15.607 1.00 7.46 N ATOM 3595 CA AARG D 42 19.339 27.681 14.391 0.50 7.63 C ATOM 3596 CA BARG D 42 19.287 27.810 14.318 0.50 8.81 C ATOM 3597 C ARG D 42 18.098 26.999 13.875 1.00 8.32 C ATOM 3598 O ARG D 42 17.298 26.507 14.646 1.00 8.81 O ATOM 3599 CB AARG D 42 20.378 26.599 14.738 0.50 6.87 C ATOM 3600 CB BARG D 42 20.541 26.942 14.421 0.50 9.85 C ATOM 3601 CG AARG D 42 21.769 27.192 15.036 0.50 5.19 C ATOM 3602 CG BARG D 42 20.541 26.120 15.636 0.50 11.14 C ATOM 3603 CD AARG D 42 22.755 26.088 15.341 0.50 6.23 C ATOM 3604 CD BARG D 42 21.907 25.563 15.899 0.50 11.03 C ATOM 3605 NE AARG D 42 22.470 25.588 16.659 0.50 5.39 N ATOM 3606 NE BARG D 42 22.015 25.083 17.233 0.50 11.89 N ATOM 3607 CZ AARG D 42 23.052 24.519 17.183 0.50 3.86 C ATOM 3608 CZ BARG D 42 22.670 23.994 17.595 0.50 12.55 C ATOM 3609 NH1AARG D 42 23.731 23.702 16.366 0.50 7.89 N ATOM 3610 NH1BARG D 42 23.279 23.228 16.696 0.50 8.60 N ATOM 3611 NH2AARG D 42 22.900 24.233 18.503 0.50 5.47 N ATOM 3612 NH2BARG D 42 22.733 23.700 18.886 0.50 15.32 N ATOM 0 H AARG D 42 18.495 28.005 16.148 0.50 7.46 H new ATOM 0 H BARG D 42 18.553 27.957 16.157 0.50 7.46 H new ATOM 0 HA AARG D 42 19.701 28.284 13.723 0.50 8.81 H new ATOM 0 HA BARG D 42 19.459 28.495 13.653 0.50 8.81 H new ATOM 0 HB2AARG D 42 20.072 26.096 15.509 0.50 9.85 H new ATOM 0 HB2BARG D 42 20.600 26.367 13.642 0.50 9.85 H new ATOM 0 HB3AARG D 42 20.448 25.973 14.000 0.50 9.85 H new ATOM 0 HB3BARG D 42 21.328 27.509 14.415 0.50 9.85 H new ATOM 0 HG2AARG D 42 22.077 27.708 14.275 0.50 11.14 H new ATOM 0 HG2BARG D 42 20.253 26.654 16.393 0.50 11.14 H new ATOM 0 HG3AARG D 42 21.713 27.802 15.789 0.50 11.14 H new ATOM 0 HG3BARG D 42 19.904 25.395 15.541 0.50 11.14 H new ATOM 0 HD2AARG D 42 22.681 25.377 14.685 0.50 11.03 H new ATOM 0 HD2BARG D 42 22.091 24.842 15.277 0.50 11.03 H new ATOM 0 HD3AARG D 42 23.664 26.423 15.295 0.50 11.03 H new ATOM 0 HD3BARG D 42 22.575 26.249 15.744 0.50 11.03 H new ATOM 0 HE AARG D 42 21.888 26.007 17.134 0.50 11.89 H new ATOM 0 HE BARG D 42 21.624 25.536 17.851 0.50 11.89 H new ATOM 0 HH11AARG D 42 23.780 23.878 15.526 0.50 8.60 H new ATOM 0 HH11BARG D 42 23.251 23.438 15.862 0.50 8.60 H new ATOM 0 HH12AARG D 42 24.117 23.002 16.682 0.50 8.60 H new ATOM 0 HH12BARG D 42 23.701 22.522 16.948 0.50 8.60 H new ATOM 0 HH21AARG D 42 22.424 24.747 19.002 0.50 15.32 H new ATOM 0 HH21BARG D 42 22.353 24.213 19.463 0.50 15.32 H new ATOM 0 HH22AARG D 42 23.279 23.538 18.839 0.50 15.32 H new ATOM 0 HH22BARG D 42 23.153 22.997 19.147 0.50 15.32 H new ATOM 3613 N LEU D 43 17.934 26.916 12.563 1.00 8.71 N ATOM 3614 CA LEU D 43 16.865 26.088 12.032 1.00 10.67 C ATOM 3615 C LEU D 43 17.211 24.643 12.105 1.00 9.67 C ATOM 3616 O LEU D 43 18.393 24.278 12.040 1.00 9.65 O ATOM 3617 CB LEU D 43 16.532 26.417 10.557 1.00 11.76 C ATOM 3618 CG LEU D 43 15.838 27.743 10.344 1.00 16.52 C ATOM 3619 CD1 LEU D 43 15.560 27.908 8.838 1.00 19.90 C ATOM 3620 CD2 LEU D 43 14.549 27.882 11.088 1.00 17.45 C ATOM 0 H LEU D 43 18.417 27.319 11.977 1.00 8.71 H new ATOM 0 HA LEU D 43 16.092 26.282 12.585 1.00 10.67 H new ATOM 0 HB2 LEU D 43 17.355 26.411 10.044 1.00 11.76 H new ATOM 0 HB3 LEU D 43 15.970 25.711 10.200 1.00 11.76 H new ATOM 0 HG LEU D 43 16.430 28.430 10.688 1.00 16.52 H new ATOM 0 HD11 LEU D 43 15.114 28.755 8.682 1.00 19.90 H new ATOM 0 HD12 LEU D 43 16.398 27.890 8.350 1.00 19.90 H new ATOM 0 HD13 LEU D 43 14.992 27.183 8.532 1.00 19.90 H new ATOM 0 HD21 LEU D 43 14.162 28.752 10.905 1.00 17.45 H new ATOM 0 HD22 LEU D 43 13.934 27.188 10.802 1.00 17.45 H new ATOM 0 HD23 LEU D 43 14.714 27.795 12.040 1.00 17.45 H new ATOM 3621 N VAL D 44 16.212 23.790 12.201 1.00 10.42 N ATOM 3622 CA VAL D 44 16.389 22.350 11.931 1.00 11.17 C ATOM 3623 C VAL D 44 16.314 22.135 10.412 1.00 12.39 C ATOM 3624 O VAL D 44 15.282 22.425 9.801 1.00 14.04 O ATOM 3625 CB VAL D 44 15.367 21.506 12.665 1.00 12.08 C ATOM 3626 CG1 VAL D 44 15.506 20.041 12.277 1.00 13.05 C ATOM 3627 CG2 VAL D 44 15.537 21.712 14.220 1.00 12.50 C ATOM 0 H VAL D 44 15.411 24.013 12.422 1.00 10.42 H new ATOM 0 HA VAL D 44 17.255 22.064 12.261 1.00 11.17 H new ATOM 0 HB VAL D 44 14.473 21.787 12.413 1.00 12.08 H new ATOM 0 HG11 VAL D 44 14.846 19.515 12.755 1.00 13.05 H new ATOM 0 HG12 VAL D 44 15.366 19.944 11.322 1.00 13.05 H new ATOM 0 HG13 VAL D 44 16.395 19.728 12.506 1.00 13.05 H new ATOM 0 HG21 VAL D 44 14.883 21.172 14.691 1.00 12.50 H new ATOM 0 HG22 VAL D 44 16.430 21.443 14.486 1.00 12.50 H new ATOM 0 HG23 VAL D 44 15.402 22.647 14.439 1.00 12.50 H new ATOM 3628 N ALA D 45 17.409 21.690 9.810 1.00 13.43 N ATOM 3629 CA ALA D 45 17.497 21.575 8.331 1.00 16.40 C ATOM 3630 C ALA D 45 17.333 20.158 7.932 1.00 18.67 C ATOM 3631 O ALA D 45 16.997 19.872 6.752 1.00 20.44 O ATOM 3632 CB ALA D 45 18.855 22.040 7.852 1.00 18.19 C ATOM 0 H ALA D 45 18.120 21.446 10.228 1.00 13.43 H new ATOM 0 HA ALA D 45 16.800 22.123 7.939 1.00 16.40 H new ATOM 0 HB1 ALA D 45 18.902 21.961 6.886 1.00 18.19 H new ATOM 0 HB2 ALA D 45 18.989 22.966 8.107 1.00 18.19 H new ATOM 0 HB3 ALA D 45 19.546 21.491 8.255 1.00 18.19 H new ATOM 3633 N GLY D 46 17.638 19.228 8.827 1.00 17.33 N ATOM 3634 CA GLY D 46 17.554 17.805 8.491 1.00 17.61 C ATOM 3635 C GLY D 46 17.204 16.950 9.668 1.00 17.08 C ATOM 3636 O GLY D 46 17.550 17.268 10.817 1.00 14.95 O ATOM 0 H GLY D 46 17.895 19.394 9.631 1.00 17.33 H new ATOM 0 HA2 GLY D 46 16.888 17.680 7.797 1.00 17.61 H new ATOM 0 HA3 GLY D 46 18.404 17.513 8.126 1.00 17.61 H new ATOM 3637 N ASN D 47 16.554 15.824 9.365 1.00 19.49 N ATOM 3638 CA ASN D 47 16.063 14.898 10.358 1.00 20.42 C ATOM 3639 C ASN D 47 16.459 13.511 9.932 1.00 22.35 C ATOM 3640 O ASN D 47 15.596 12.722 9.534 1.00 22.69 O ATOM 3641 CB ASN D 47 14.554 15.020 10.457 1.00 20.73 C ATOM 3642 CG ASN D 47 14.136 16.306 11.143 1.00 20.11 C ATOM 3643 OD1 ASN D 47 14.037 16.338 12.363 1.00 18.75 O ATOM 3644 ND2 ASN D 47 13.874 17.352 10.370 1.00 20.00 N ATOM 0 H ASN D 47 16.388 15.581 8.557 1.00 19.49 H new ATOM 0 HA ASN D 47 16.440 15.091 11.231 1.00 20.42 H new ATOM 0 HB2 ASN D 47 14.168 14.988 9.568 1.00 20.73 H new ATOM 0 HB3 ASN D 47 14.200 14.262 10.948 1.00 20.73 H new ATOM 0 HD21 ASN D 47 13.622 18.095 10.723 1.00 20.00 H new ATOM 0 HD22 ASN D 47 13.956 17.287 9.516 1.00 20.00 H new ATOM 3645 N PRO D 48 17.754 13.206 10.053 1.00 23.58 N ATOM 3646 CA PRO D 48 18.149 11.861 9.603 1.00 26.38 C ATOM 3647 C PRO D 48 17.572 10.775 10.511 1.00 28.76 C ATOM 3648 O PRO D 48 17.393 10.996 11.709 1.00 28.49 O ATOM 3649 CB PRO D 48 19.667 11.896 9.680 1.00 26.58 C ATOM 3650 CG PRO D 48 20.045 13.097 10.493 1.00 24.99 C ATOM 3651 CD PRO D 48 18.900 14.055 10.451 1.00 23.36 C ATOM 0 HA PRO D 48 17.820 11.650 8.715 1.00 26.38 H new ATOM 0 HB2 PRO D 48 20.007 11.085 10.089 1.00 26.58 H new ATOM 0 HB3 PRO D 48 20.053 11.949 8.792 1.00 26.58 H new ATOM 0 HG2 PRO D 48 20.240 12.841 11.408 1.00 24.99 H new ATOM 0 HG3 PRO D 48 20.847 13.510 10.137 1.00 24.99 H new ATOM 0 HD2 PRO D 48 18.752 14.473 11.314 1.00 23.36 H new ATOM 0 HD3 PRO D 48 19.055 14.769 9.813 1.00 23.36 H new ATOM 3652 N THR D 49 17.291 9.598 9.944 1.00 32.48 N ATOM 3653 CA THR D 49 16.747 8.483 10.753 1.00 36.25 C ATOM 3654 C THR D 49 17.636 7.233 10.746 1.00 37.93 C ATOM 3655 O THR D 49 17.291 6.210 11.364 1.00 38.54 O ATOM 3656 CB THR D 49 15.345 8.078 10.303 1.00 36.39 C ATOM 3657 OG1 THR D 49 15.364 7.900 8.886 1.00 38.65 O ATOM 3658 CG2 THR D 49 14.303 9.143 10.679 1.00 36.88 C ATOM 0 H THR D 49 17.403 9.420 9.110 1.00 32.48 H new ATOM 0 HA THR D 49 16.716 8.833 11.657 1.00 36.25 H new ATOM 0 HB THR D 49 15.095 7.254 10.750 1.00 36.39 H new ATOM 0 HG1 THR D 49 14.599 7.675 8.621 1.00 38.65 H new ATOM 0 HG21 THR D 49 13.426 8.857 10.380 1.00 36.88 H new ATOM 0 HG22 THR D 49 14.294 9.261 11.642 1.00 36.88 H new ATOM 0 HG23 THR D 49 14.531 9.984 10.252 1.00 36.88 H new ATOM 3659 N ASP D 50 18.770 7.325 10.048 1.00 40.05 N ATOM 3660 CA ASP D 50 19.760 6.240 9.965 1.00 41.78 C ATOM 3661 C ASP D 50 20.572 6.111 11.274 1.00 41.66 C ATOM 3662 O ASP D 50 21.804 6.077 11.249 1.00 42.31 O ATOM 3663 CB ASP D 50 20.694 6.495 8.762 1.00 42.22 C ATOM 3664 CG ASP D 50 21.569 7.768 8.930 1.00 45.89 C ATOM 3665 OD1 ASP D 50 21.365 8.552 9.903 1.00 47.52 O ATOM 3666 OD2 ASP D 50 22.478 7.986 8.084 1.00 48.70 O ATOM 0 H ASP D 50 18.991 8.027 9.603 1.00 40.05 H new ATOM 0 HA ASP D 50 19.291 5.400 9.838 1.00 41.78 H new ATOM 0 HB2 ASP D 50 21.272 5.726 8.639 1.00 42.22 H new ATOM 0 HB3 ASP D 50 20.160 6.580 7.957 1.00 42.22 H new ATOM 3667 N THR D 51 19.882 6.022 12.412 1.00 42.05 N ATOM 3668 CA THR D 51 20.522 6.190 13.742 1.00 42.16 C ATOM 3669 C THR D 51 21.352 5.021 14.346 1.00 42.35 C ATOM 3670 O THR D 51 22.219 5.260 15.201 1.00 42.68 O ATOM 3671 CB THR D 51 19.501 6.749 14.813 1.00 41.94 C ATOM 3672 OG1 THR D 51 18.276 5.995 14.790 1.00 41.87 O ATOM 3673 CG2 THR D 51 19.175 8.221 14.539 1.00 41.72 C ATOM 0 H THR D 51 19.037 5.864 12.446 1.00 42.05 H new ATOM 0 HA THR D 51 21.211 6.838 13.526 1.00 42.16 H new ATOM 0 HB THR D 51 19.919 6.666 15.684 1.00 41.94 H new ATOM 0 HG1 THR D 51 18.314 5.382 15.363 1.00 41.87 H new ATOM 0 HG21 THR D 51 18.549 8.543 15.206 1.00 41.72 H new ATOM 0 HG22 THR D 51 19.989 8.746 14.580 1.00 41.72 H new ATOM 0 HG23 THR D 51 18.780 8.306 13.657 1.00 41.72 H new ATOM 3674 N HIS D 52 21.100 3.784 13.910 1.00 41.92 N ATOM 3675 CA HIS D 52 21.678 2.553 14.538 1.00 41.58 C ATOM 3676 C HIS D 52 21.077 2.198 15.908 1.00 40.55 C ATOM 3677 O HIS D 52 20.529 1.096 16.073 1.00 41.54 O ATOM 3678 CB HIS D 52 23.213 2.573 14.629 1.00 42.39 C ATOM 3679 CG HIS D 52 23.893 2.900 13.338 1.00 45.38 C ATOM 3680 ND1 HIS D 52 24.817 3.920 13.223 1.00 48.00 N ATOM 3681 CD2 HIS D 52 23.766 2.362 12.099 1.00 47.50 C ATOM 3682 CE1 HIS D 52 25.238 3.990 11.971 1.00 48.37 C ATOM 3683 NE2 HIS D 52 24.616 3.055 11.269 1.00 49.19 N ATOM 0 H HIS D 52 20.588 3.619 13.239 1.00 41.92 H new ATOM 0 HA HIS D 52 21.420 1.851 13.921 1.00 41.58 H new ATOM 0 HB2 HIS D 52 23.480 3.222 15.298 1.00 42.39 H new ATOM 0 HB3 HIS D 52 23.521 1.706 14.936 1.00 42.39 H new ATOM 0 HD2 HIS D 52 23.209 1.658 11.857 1.00 47.50 H new ATOM 0 HE1 HIS D 52 25.864 4.593 11.640 1.00 48.37 H new ATOM 0 HE2 HIS D 52 24.726 2.905 10.429 1.00 49.19 H new ATOM 3684 N VAL D 53 21.185 3.106 16.883 1.00 38.49 N ATOM 3685 CA VAL D 53 20.399 3.002 18.124 1.00 36.04 C ATOM 3686 C VAL D 53 18.925 3.364 17.780 1.00 33.59 C ATOM 3687 O VAL D 53 18.665 4.002 16.741 1.00 34.04 O ATOM 3688 CB VAL D 53 21.018 3.830 19.326 1.00 36.75 C ATOM 3689 CG1 VAL D 53 22.379 4.445 18.933 1.00 37.01 C ATOM 3690 CG2 VAL D 53 20.092 4.917 19.806 1.00 35.56 C ATOM 0 H VAL D 53 21.706 3.789 16.848 1.00 38.49 H new ATOM 0 HA VAL D 53 20.424 2.093 18.461 1.00 36.04 H new ATOM 0 HB VAL D 53 21.148 3.203 20.054 1.00 36.75 H new ATOM 0 HG11 VAL D 53 22.737 4.946 19.683 1.00 37.01 H new ATOM 0 HG12 VAL D 53 22.997 3.737 18.693 1.00 37.01 H new ATOM 0 HG13 VAL D 53 22.259 5.039 18.176 1.00 37.01 H new ATOM 0 HG21 VAL D 53 20.508 5.397 20.539 1.00 35.56 H new ATOM 0 HG22 VAL D 53 19.911 5.533 19.079 1.00 35.56 H new ATOM 0 HG23 VAL D 53 19.260 4.522 20.110 1.00 35.56 H new ATOM 3691 N PRO D 54 17.956 2.917 18.599 1.00 31.18 N ATOM 3692 CA PRO D 54 16.555 3.200 18.272 1.00 28.92 C ATOM 3693 C PRO D 54 16.282 4.697 18.046 1.00 28.26 C ATOM 3694 O PRO D 54 16.736 5.550 18.824 1.00 23.51 O ATOM 3695 CB PRO D 54 15.791 2.674 19.504 1.00 29.50 C ATOM 3696 CG PRO D 54 16.651 1.558 20.002 1.00 30.37 C ATOM 3697 CD PRO D 54 18.078 1.987 19.738 1.00 31.18 C ATOM 0 HA PRO D 54 16.286 2.782 17.439 1.00 28.92 H new ATOM 0 HB2 PRO D 54 15.679 3.365 20.176 1.00 29.50 H new ATOM 0 HB3 PRO D 54 14.904 2.362 19.267 1.00 29.50 H new ATOM 0 HG2 PRO D 54 16.504 1.401 20.948 1.00 30.37 H new ATOM 0 HG3 PRO D 54 16.446 0.729 19.542 1.00 30.37 H new ATOM 0 HD2 PRO D 54 18.469 2.421 20.512 1.00 31.18 H new ATOM 0 HD3 PRO D 54 18.644 1.230 19.521 1.00 31.18 H new ATOM 3698 N TYR D 55 15.559 5.003 16.973 1.00 27.32 N ATOM 3699 CA TYR D 55 15.242 6.395 16.620 1.00 27.79 C ATOM 3700 C TYR D 55 14.178 6.971 17.547 1.00 26.51 C ATOM 3701 O TYR D 55 13.170 6.338 17.826 1.00 28.92 O ATOM 3702 CB TYR D 55 14.736 6.417 15.185 1.00 27.04 C ATOM 3703 CG TYR D 55 14.240 7.780 14.745 1.00 30.08 C ATOM 3704 CD1 TYR D 55 15.130 8.845 14.533 1.00 30.77 C ATOM 3705 CD2 TYR D 55 12.865 7.996 14.531 1.00 31.53 C ATOM 3706 CE1 TYR D 55 14.640 10.090 14.116 1.00 33.20 C ATOM 3707 CE2 TYR D 55 12.376 9.230 14.119 1.00 32.77 C ATOM 3708 CZ TYR D 55 13.261 10.273 13.926 1.00 31.36 C ATOM 3709 OH TYR D 55 12.761 11.496 13.519 1.00 31.17 O ATOM 0 H TYR D 55 15.238 4.419 16.430 1.00 27.32 H new ATOM 0 HA TYR D 55 16.040 6.938 16.713 1.00 27.79 H new ATOM 0 HB2 TYR D 55 15.450 6.133 14.593 1.00 27.04 H new ATOM 0 HB3 TYR D 55 14.017 5.773 15.092 1.00 27.04 H new ATOM 0 HD1 TYR D 55 16.042 8.725 14.669 1.00 30.77 H new ATOM 0 HD2 TYR D 55 12.269 7.295 14.669 1.00 31.53 H new ATOM 0 HE1 TYR D 55 15.228 10.795 13.965 1.00 33.20 H new ATOM 0 HE2 TYR D 55 11.465 9.352 13.975 1.00 32.77 H new ATOM 0 HH TYR D 55 11.925 11.448 13.449 1.00 31.17 H new ATOM 3710 N LEU D 56 14.385 8.189 18.028 1.00 24.52 N ATOM 3711 CA LEU D 56 13.394 8.821 18.892 1.00 23.83 C ATOM 3712 C LEU D 56 12.580 9.847 18.070 1.00 24.56 C ATOM 3713 O LEU D 56 13.159 10.763 17.474 1.00 25.16 O ATOM 3714 CB LEU D 56 14.115 9.496 20.072 1.00 23.07 C ATOM 3715 CG LEU D 56 13.223 10.331 20.994 1.00 23.73 C ATOM 3716 CD1 LEU D 56 12.498 9.398 21.949 1.00 25.77 C ATOM 3717 CD2 LEU D 56 13.981 11.334 21.798 1.00 23.45 C ATOM 0 H LEU D 56 15.084 8.664 17.870 1.00 24.52 H new ATOM 0 HA LEU D 56 12.779 8.159 19.245 1.00 23.83 H new ATOM 0 HB2 LEU D 56 14.549 8.809 20.602 1.00 23.07 H new ATOM 0 HB3 LEU D 56 14.815 10.067 19.720 1.00 23.07 H new ATOM 0 HG LEU D 56 12.607 10.821 20.427 1.00 23.73 H new ATOM 0 HD11 LEU D 56 11.929 9.917 22.539 1.00 25.77 H new ATOM 0 HD12 LEU D 56 11.955 8.774 21.442 1.00 25.77 H new ATOM 0 HD13 LEU D 56 13.147 8.906 22.476 1.00 25.77 H new ATOM 0 HD21 LEU D 56 13.366 11.830 22.360 1.00 23.45 H new ATOM 0 HD22 LEU D 56 14.631 10.878 22.355 1.00 23.45 H new ATOM 0 HD23 LEU D 56 14.440 11.947 21.202 1.00 23.45 H new ATOM 3718 N ASP D 57 11.264 9.694 18.039 1.00 25.95 N ATOM 3719 CA ASP D 57 10.406 10.612 17.275 1.00 27.58 C ATOM 3720 C ASP D 57 9.844 11.593 18.270 1.00 26.60 C ATOM 3721 O ASP D 57 9.181 11.189 19.207 1.00 27.61 O ATOM 3722 CB ASP D 57 9.284 9.850 16.558 1.00 28.67 C ATOM 3723 CG ASP D 57 8.265 10.772 15.910 1.00 33.68 C ATOM 3724 OD1 ASP D 57 8.636 11.865 15.411 1.00 35.46 O ATOM 3725 OD2 ASP D 57 7.075 10.375 15.875 1.00 39.95 O ATOM 0 H ASP D 57 10.841 9.068 18.450 1.00 25.95 H new ATOM 0 HA ASP D 57 10.911 11.067 16.584 1.00 27.58 H new ATOM 0 HB2 ASP D 57 9.672 9.276 15.879 1.00 28.67 H new ATOM 0 HB3 ASP D 57 8.833 9.273 17.194 1.00 28.67 H new ATOM 3726 N VAL D 58 10.168 12.874 18.095 1.00 25.47 N ATOM 3727 CA VAL D 58 9.684 13.944 18.949 1.00 25.12 C ATOM 3728 C VAL D 58 8.802 14.885 18.132 1.00 25.35 C ATOM 3729 O VAL D 58 8.506 16.006 18.565 1.00 27.17 O ATOM 3730 CB VAL D 58 10.866 14.768 19.576 1.00 24.59 C ATOM 3731 CG1 VAL D 58 11.634 13.933 20.587 1.00 27.09 C ATOM 3732 CG2 VAL D 58 11.824 15.307 18.503 1.00 26.70 C ATOM 0 H VAL D 58 10.685 13.145 17.463 1.00 25.47 H new ATOM 0 HA VAL D 58 9.177 13.541 19.671 1.00 25.12 H new ATOM 0 HB VAL D 58 10.470 15.528 20.030 1.00 24.59 H new ATOM 0 HG11 VAL D 58 12.357 14.461 20.960 1.00 27.09 H new ATOM 0 HG12 VAL D 58 11.036 13.656 21.299 1.00 27.09 H new ATOM 0 HG13 VAL D 58 12.000 13.149 20.148 1.00 27.09 H new ATOM 0 HG21 VAL D 58 12.537 15.808 18.928 1.00 26.70 H new ATOM 0 HG22 VAL D 58 12.203 14.566 18.005 1.00 26.70 H new ATOM 0 HG23 VAL D 58 11.338 15.888 17.897 1.00 26.70 H new ATOM 3733 N GLY D 59 8.393 14.446 16.951 1.00 24.32 N ATOM 3734 CA GLY D 59 7.577 15.313 16.111 1.00 23.51 C ATOM 3735 C GLY D 59 8.432 16.281 15.318 1.00 22.08 C ATOM 3736 O GLY D 59 9.656 16.066 15.175 1.00 22.54 O ATOM 0 H GLY D 59 8.570 13.671 16.622 1.00 24.32 H new ATOM 0 HA2 GLY D 59 7.049 14.773 15.503 1.00 23.51 H new ATOM 0 HA3 GLY D 59 6.953 15.809 16.665 1.00 23.51 H new ATOM 3737 N ARG D 60 7.808 17.310 14.747 1.00 19.29 N ATOM 3738 CA ARG D 60 8.533 18.252 13.908 1.00 18.42 C ATOM 3739 C ARG D 60 8.992 19.403 14.766 1.00 16.92 C ATOM 3740 O ARG D 60 8.185 20.126 15.325 1.00 18.81 O ATOM 3741 CB ARG D 60 7.703 18.804 12.753 1.00 17.78 C ATOM 3742 CG ARG D 60 8.586 19.519 11.759 1.00 22.44 C ATOM 3743 CD ARG D 60 7.821 20.401 10.786 1.00 25.86 C ATOM 3744 NE ARG D 60 7.340 21.603 11.467 1.00 23.72 N ATOM 3745 CZ ARG D 60 6.076 21.856 11.759 1.00 23.57 C ATOM 3746 NH1 ARG D 60 5.757 22.948 12.420 1.00 15.26 N ATOM 3747 NH2 ARG D 60 5.118 20.997 11.392 1.00 26.42 N ATOM 0 H ARG D 60 6.969 17.477 14.834 1.00 19.29 H new ATOM 0 HA ARG D 60 9.277 17.770 13.516 1.00 18.42 H new ATOM 0 HB2 ARG D 60 7.231 18.080 12.312 1.00 17.78 H new ATOM 0 HB3 ARG D 60 7.031 19.415 13.094 1.00 17.78 H new ATOM 0 HG2 ARG D 60 9.227 20.064 12.241 1.00 22.44 H new ATOM 0 HG3 ARG D 60 9.093 18.862 11.257 1.00 22.44 H new ATOM 0 HD2 ARG D 60 8.394 20.649 10.044 1.00 25.86 H new ATOM 0 HD3 ARG D 60 7.072 19.910 10.414 1.00 25.86 H new ATOM 0 HE ARG D 60 7.925 22.191 11.695 1.00 23.72 H new ATOM 0 HH11 ARG D 60 6.371 23.499 12.663 1.00 15.26 H new ATOM 0 HH12 ARG D 60 4.934 23.111 12.609 1.00 15.26 H new ATOM 0 HH21 ARG D 60 5.324 20.279 10.966 1.00 26.42 H new ATOM 0 HH22 ARG D 60 4.296 21.163 11.583 1.00 26.42 H new ATOM 3748 N ILE D 61 10.309 19.563 14.853 1.00 13.49 N ATOM 3749 CA ILE D 61 10.889 20.691 15.571 1.00 12.16 C ATOM 3750 C ILE D 61 11.434 21.628 14.489 1.00 11.33 C ATOM 3751 O ILE D 61 12.147 21.203 13.580 1.00 13.24 O ATOM 3752 CB ILE D 61 12.029 20.204 16.408 1.00 12.44 C ATOM 3753 CG1 ILE D 61 11.589 19.146 17.426 1.00 13.86 C ATOM 3754 CG2 ILE D 61 12.763 21.414 17.078 1.00 12.04 C ATOM 3755 CD1 ILE D 61 10.431 19.637 18.331 1.00 15.42 C ATOM 0 H ILE D 61 10.884 19.028 14.502 1.00 13.49 H new ATOM 0 HA ILE D 61 10.242 21.129 16.146 1.00 12.16 H new ATOM 0 HB ILE D 61 12.664 19.758 15.826 1.00 12.44 H new ATOM 0 HG12 ILE D 61 11.310 18.345 16.955 1.00 13.86 H new ATOM 0 HG13 ILE D 61 12.346 18.900 17.980 1.00 13.86 H new ATOM 0 HG21 ILE D 61 13.500 21.087 17.618 1.00 12.04 H new ATOM 0 HG22 ILE D 61 13.105 22.007 16.390 1.00 12.04 H new ATOM 0 HG23 ILE D 61 12.140 21.899 17.642 1.00 12.04 H new ATOM 0 HD11 ILE D 61 10.189 18.936 18.956 1.00 15.42 H new ATOM 0 HD12 ILE D 61 10.715 20.423 18.823 1.00 15.42 H new ATOM 0 HD13 ILE D 61 9.663 19.860 17.782 1.00 15.42 H new ATOM 3756 N ASP D 62 11.105 22.910 14.567 1.00 10.67 N ATOM 3757 CA ASP D 62 11.503 23.877 13.549 1.00 10.17 C ATOM 3758 C ASP D 62 12.799 24.630 13.789 1.00 10.38 C ATOM 3759 O ASP D 62 13.514 24.923 12.841 1.00 9.77 O ATOM 3760 CB ASP D 62 10.367 24.894 13.258 1.00 11.47 C ATOM 3761 CG ASP D 62 9.115 24.231 12.707 1.00 14.51 C ATOM 3762 OD1 ASP D 62 9.216 23.515 11.709 1.00 16.31 O ATOM 3763 OD2 ASP D 62 8.092 24.381 13.356 1.00 15.55 O ATOM 0 H ASP D 62 10.645 23.246 15.211 1.00 10.67 H new ATOM 0 HA ASP D 62 11.677 23.314 12.779 1.00 10.17 H new ATOM 0 HB2 ASP D 62 10.145 25.368 14.075 1.00 11.47 H new ATOM 0 HB3 ASP D 62 10.684 25.555 12.623 1.00 11.47 H new ATOM 3764 N ALA D 63 13.121 24.874 15.058 1.00 8.85 N ATOM 3765 CA ALA D 63 14.376 25.567 15.370 1.00 8.76 C ATOM 3766 C ALA D 63 14.840 25.161 16.740 1.00 8.52 C ATOM 3767 O ALA D 63 14.085 24.604 17.552 1.00 9.28 O ATOM 3768 CB ALA D 63 14.210 27.068 15.363 1.00 9.43 C ATOM 0 H ALA D 63 12.643 24.655 15.738 1.00 8.85 H new ATOM 0 HA ALA D 63 15.020 25.320 14.688 1.00 8.76 H new ATOM 0 HB1 ALA D 63 15.058 27.489 15.573 1.00 9.43 H new ATOM 0 HB2 ALA D 63 13.915 27.357 14.485 1.00 9.43 H new ATOM 0 HB3 ALA D 63 13.550 27.324 16.026 1.00 9.43 H new ATOM 3769 N AILE D 64 16.141 25.400 16.979 0.50 7.75 N ATOM 3770 N BILE D 64 16.124 25.407 17.021 0.50 8.43 N ATOM 3771 CA AILE D 64 16.797 25.163 18.263 0.50 6.99 C ATOM 3772 CA BILE D 64 16.686 25.136 18.343 0.50 8.23 C ATOM 3773 C AILE D 64 17.197 26.555 18.774 0.50 6.55 C ATOM 3774 C BILE D 64 17.306 26.432 18.834 0.50 6.95 C ATOM 3775 O AILE D 64 17.758 27.373 18.032 0.50 7.28 O ATOM 3776 O BILE D 64 18.128 27.047 18.133 0.50 7.24 O ATOM 3777 CB AILE D 64 18.098 24.334 18.087 0.50 6.52 C ATOM 3778 CB BILE D 64 17.739 24.029 18.280 0.50 9.13 C ATOM 3779 CG1AILE D 64 17.862 22.940 17.436 0.50 6.95 C ATOM 3780 CG1BILE D 64 17.091 22.731 17.783 0.50 13.10 C ATOM 3781 CG2AILE D 64 18.811 24.192 19.468 0.50 7.81 C ATOM 3782 CG2BILE D 64 18.404 23.828 19.671 0.50 9.49 C ATOM 3783 CD1AILE D 64 16.805 22.022 18.112 0.50 7.08 C ATOM 3784 CD1BILE D 64 18.079 21.714 17.351 0.50 15.23 C ATOM 0 H AILE D 64 16.673 25.712 16.379 0.50 8.43 H new ATOM 0 H BILE D 64 16.685 25.732 16.456 0.50 8.43 H new ATOM 0 HA AILE D 64 16.208 24.678 18.861 0.50 8.23 H new ATOM 0 HA BILE D 64 15.993 24.829 18.948 0.50 8.23 H new ATOM 0 HB AILE D 64 18.667 24.817 17.468 0.50 9.13 H new ATOM 0 HB BILE D 64 18.436 24.286 17.656 0.50 9.13 H new ATOM 0 HG12AILE D 64 17.597 23.078 16.513 0.50 13.10 H new ATOM 0 HG12BILE D 64 16.541 22.359 18.490 0.50 13.10 H new ATOM 0 HG13AILE D 64 18.708 22.466 17.420 0.50 13.10 H new ATOM 0 HG13BILE D 64 16.500 22.935 17.041 0.50 13.10 H new ATOM 0 HG21AILE D 64 19.624 23.674 19.361 0.50 9.49 H new ATOM 0 HG21BILE D 64 19.068 23.123 19.614 0.50 9.49 H new ATOM 0 HG22AILE D 64 19.031 25.072 19.811 0.50 9.49 H new ATOM 0 HG22BILE D 64 18.832 24.653 19.948 0.50 9.49 H new ATOM 0 HG23AILE D 64 18.221 23.741 20.092 0.50 9.49 H new ATOM 0 HG23BILE D 64 17.727 23.582 20.321 0.50 9.49 H new ATOM 0 HD11AILE D 64 16.743 21.186 17.624 0.50 15.23 H new ATOM 0 HD11BILE D 64 17.614 20.919 17.048 0.50 15.23 H new ATOM 0 HD12AILE D 64 17.070 21.843 19.028 0.50 15.23 H new ATOM 0 HD12BILE D 64 18.614 22.071 16.625 0.50 15.23 H new ATOM 0 HD13AILE D 64 15.942 22.464 18.107 0.50 15.23 H new ATOM 0 HD13BILE D 64 18.656 21.486 18.096 0.50 15.23 H new ATOM 3785 N GLY D 65 16.865 26.863 20.012 1.00 6.92 N ATOM 3786 CA GLY D 65 17.380 28.075 20.623 1.00 7.42 C ATOM 3787 C GLY D 65 18.233 27.700 21.848 1.00 7.02 C ATOM 3788 O GLY D 65 18.117 26.592 22.421 1.00 8.34 O ATOM 0 H AGLY D 65 16.349 26.392 20.513 0.50 6.92 H new ATOM 0 H BGLY D 65 16.262 26.461 20.475 0.50 6.92 H new ATOM 0 HA2 GLY D 65 17.914 28.571 19.983 1.00 7.42 H new ATOM 0 HA3 GLY D 65 16.648 28.652 20.890 1.00 7.42 H new ATOM 3789 N GLU D 66 19.127 28.602 22.239 1.00 6.28 N ATOM 3790 CA GLU D 66 19.963 28.322 23.417 1.00 6.85 C ATOM 3791 C GLU D 66 20.354 29.649 24.037 1.00 6.15 C ATOM 3792 O GLU D 66 20.712 30.593 23.326 1.00 6.50 O ATOM 3793 CB GLU D 66 21.195 27.518 23.029 1.00 7.11 C ATOM 3794 CG GLU D 66 22.024 27.047 24.246 1.00 8.58 C ATOM 3795 CD GLU D 66 22.994 25.923 23.943 1.00 10.86 C ATOM 3796 OE1 GLU D 66 23.184 25.568 22.771 1.00 10.56 O ATOM 3797 OE2 GLU D 66 23.630 25.418 24.917 1.00 10.54 O ATOM 0 H GLU D 66 19.268 29.359 21.856 1.00 6.28 H new ATOM 0 HA GLU D 66 19.468 27.789 24.058 1.00 6.85 H new ATOM 0 HB2 GLU D 66 20.919 26.744 22.514 1.00 7.11 H new ATOM 0 HB3 GLU D 66 21.757 28.058 22.451 1.00 7.11 H new ATOM 0 HG2 GLU D 66 22.521 27.802 24.598 1.00 8.58 H new ATOM 0 HG3 GLU D 66 21.417 26.757 24.945 1.00 8.58 H new ATOM 3798 N CYS D 67 20.301 29.669 25.387 1.00 6.75 N ATOM 3799 CA CYS D 67 20.712 30.836 26.191 1.00 7.14 C ATOM 3800 C CYS D 67 21.804 30.466 27.174 1.00 6.87 C ATOM 3801 O CYS D 67 21.768 29.363 27.743 1.00 8.66 O ATOM 3802 CB CYS D 67 19.540 31.349 27.030 1.00 6.77 C ATOM 3803 SG CYS D 67 18.204 32.061 26.007 1.00 10.20 S ATOM 0 H CYS D 67 20.025 29.004 25.858 1.00 6.75 H new ATOM 0 HA CYS D 67 21.023 31.508 25.565 1.00 7.14 H new ATOM 0 HB2 CYS D 67 19.183 30.620 27.561 1.00 6.77 H new ATOM 0 HB3 CYS D 67 19.861 32.022 27.651 1.00 6.77 H new ATOM 0 HG CYS D 67 17.641 32.921 26.626 1.00 10.20 H new ATOM 3804 N TRP D 68 22.749 31.350 27.289 1.00 7.53 N ATOM 3805 CA TRP D 68 23.865 31.195 28.230 1.00 7.55 C ATOM 3806 C TRP D 68 23.793 32.311 29.232 1.00 8.77 C ATOM 3807 O TRP D 68 23.618 33.498 28.814 1.00 9.17 O ATOM 3808 CB TRP D 68 25.201 31.329 27.527 1.00 8.91 C ATOM 3809 CG TRP D 68 25.678 30.223 26.643 1.00 8.29 C ATOM 3810 CD1 TRP D 68 26.760 29.423 26.911 1.00 8.82 C ATOM 3811 CD2 TRP D 68 25.232 29.873 25.311 1.00 8.76 C ATOM 3812 NE1 TRP D 68 26.952 28.540 25.859 1.00 10.54 N ATOM 3813 CE2 TRP D 68 26.043 28.809 24.871 1.00 8.58 C ATOM 3814 CE3 TRP D 68 24.206 30.329 24.466 1.00 8.81 C ATOM 3815 CZ2 TRP D 68 25.885 28.198 23.592 1.00 10.22 C ATOM 3816 CZ3 TRP D 68 24.056 29.720 23.207 1.00 9.09 C ATOM 3817 CH2 TRP D 68 24.917 28.682 22.790 1.00 9.82 C ATOM 0 H TRP D 68 22.780 32.074 26.826 1.00 7.53 H new ATOM 0 HA TRP D 68 23.796 30.318 28.639 1.00 7.55 H new ATOM 0 HB2 TRP D 68 25.168 32.137 26.991 1.00 8.91 H new ATOM 0 HB3 TRP D 68 25.876 31.468 28.209 1.00 8.91 H new ATOM 0 HD1 TRP D 68 27.283 29.466 27.679 1.00 8.82 H new ATOM 0 HE1 TRP D 68 27.548 27.921 25.832 1.00 10.54 H new ATOM 0 HE3 TRP D 68 23.640 31.017 24.733 1.00 8.81 H new ATOM 0 HZ2 TRP D 68 26.429 27.493 23.322 1.00 10.22 H new ATOM 0 HZ3 TRP D 68 23.377 30.006 22.639 1.00 9.09 H new ATOM 0 HH2 TRP D 68 24.813 28.323 21.939 1.00 9.82 H new ATOM 3818 N PHE D 69 24.016 32.009 30.509 1.00 8.27 N ATOM 3819 CA PHE D 69 24.093 33.035 31.562 1.00 9.10 C ATOM 3820 C PHE D 69 25.366 32.771 32.371 1.00 9.84 C ATOM 3821 O PHE D 69 25.667 31.628 32.728 1.00 10.47 O ATOM 3822 CB PHE D 69 22.879 32.989 32.468 1.00 9.66 C ATOM 3823 CG PHE D 69 21.567 32.934 31.751 1.00 8.09 C ATOM 3824 CD1 PHE D 69 20.929 34.110 31.406 1.00 9.98 C ATOM 3825 CD2 PHE D 69 20.992 31.723 31.392 1.00 8.56 C ATOM 3826 CE1 PHE D 69 19.751 34.069 30.685 1.00 9.07 C ATOM 3827 CE2 PHE D 69 19.835 31.647 30.630 1.00 8.05 C ATOM 3828 CZ PHE D 69 19.182 32.836 30.310 1.00 9.70 C ATOM 0 H PHE D 69 24.128 31.205 30.794 1.00 8.27 H new ATOM 0 HA PHE D 69 24.115 33.917 31.159 1.00 9.10 H new ATOM 0 HB2 PHE D 69 22.951 32.213 33.046 1.00 9.66 H new ATOM 0 HB3 PHE D 69 22.888 33.772 33.041 1.00 9.66 H new ATOM 0 HD1 PHE D 69 21.292 34.928 31.659 1.00 9.98 H new ATOM 0 HD2 PHE D 69 21.397 30.934 31.672 1.00 8.56 H new ATOM 0 HE1 PHE D 69 19.330 34.863 30.445 1.00 9.07 H new ATOM 0 HE2 PHE D 69 19.505 30.827 30.341 1.00 8.05 H new ATOM 0 HZ PHE D 69 18.374 32.815 29.851 1.00 9.70 H new ATOM 3829 N ALA D 70 26.089 33.842 32.705 1.00 11.05 N ATOM 3830 CA ALA D 70 27.421 33.650 33.301 1.00 11.25 C ATOM 3831 C ALA D 70 27.307 33.210 34.748 1.00 13.37 C ATOM 3832 O ALA D 70 28.278 32.660 35.289 1.00 14.50 O ATOM 3833 CB ALA D 70 28.191 35.003 33.245 1.00 14.50 C ATOM 0 H ALA D 70 25.842 34.659 32.602 1.00 11.05 H new ATOM 0 HA ALA D 70 27.892 32.963 32.804 1.00 11.25 H new ATOM 0 HB1 ALA D 70 29.072 34.891 33.635 1.00 14.50 H new ATOM 0 HB2 ALA D 70 28.281 35.287 32.322 1.00 14.50 H new ATOM 0 HB3 ALA D 70 27.701 35.675 33.743 1.00 14.50 H new ATOM 3834 N SER D 71 26.185 33.422 35.385 1.00 12.28 N ATOM 3835 CA SER D 71 26.006 33.135 36.820 1.00 12.38 C ATOM 3836 C SER D 71 24.537 33.177 37.165 1.00 11.43 C ATOM 3837 O SER D 71 23.715 33.724 36.393 1.00 10.78 O ATOM 3838 CB SER D 71 26.713 34.253 37.651 1.00 12.42 C ATOM 3839 OG SER D 71 25.956 35.488 37.513 1.00 12.50 O ATOM 0 H SER D 71 25.482 33.742 35.006 1.00 12.28 H new ATOM 0 HA SER D 71 26.378 32.261 37.018 1.00 12.38 H new ATOM 0 HB2 SER D 71 26.767 33.995 38.584 1.00 12.42 H new ATOM 0 HB3 SER D 71 27.623 34.380 37.339 1.00 12.42 H new ATOM 0 HG SER D 71 26.334 36.099 37.949 1.00 12.50 H new ATOM 3840 N AGLU D 72 24.146 32.684 38.335 0.50 13.09 N ATOM 3841 N BGLU D 72 24.190 32.727 38.365 0.50 12.60 N ATOM 3842 CA AGLU D 72 22.764 32.773 38.734 0.50 12.86 C ATOM 3843 CA BGLU D 72 22.841 32.777 38.865 0.50 11.92 C ATOM 3844 C AGLU D 72 22.355 34.248 38.981 0.50 12.62 C ATOM 3845 C BGLU D 72 22.390 34.239 38.956 0.50 11.96 C ATOM 3846 O AGLU D 72 21.197 34.585 38.766 0.50 12.54 O ATOM 3847 O BGLU D 72 21.249 34.551 38.661 0.50 11.84 O ATOM 3848 CB AGLU D 72 22.396 31.840 39.909 0.50 15.06 C ATOM 3849 CB BGLU D 72 22.754 32.169 40.280 0.50 12.92 C ATOM 3850 CG AGLU D 72 23.262 31.933 41.130 0.50 20.43 C ATOM 3851 CG BGLU D 72 21.370 31.597 40.595 0.50 19.54 C ATOM 3852 CD AGLU D 72 22.903 30.820 42.127 0.50 21.17 C ATOM 3853 CD BGLU D 72 20.257 32.618 40.658 0.50 25.40 C ATOM 3854 OE1AGLU D 72 21.840 30.936 42.768 0.50 24.51 O ATOM 3855 OE1BGLU D 72 19.349 32.572 39.785 0.50 26.87 O ATOM 3856 OE2AGLU D 72 23.656 29.828 42.239 0.50 22.81 O ATOM 3857 OE2BGLU D 72 20.280 33.464 41.582 0.50 28.26 O ATOM 0 H AGLU D 72 24.665 32.299 38.902 0.50 12.60 H new ATOM 0 H BGLU D 72 24.750 32.378 38.917 0.50 12.60 H new ATOM 0 HA AGLU D 72 22.236 32.443 37.991 0.50 11.92 H new ATOM 0 HA BGLU D 72 22.277 32.272 38.259 0.50 11.92 H new ATOM 0 HB2AGLU D 72 21.481 32.027 40.170 0.50 12.92 H new ATOM 0 HB2BGLU D 72 23.417 31.467 40.367 0.50 12.92 H new ATOM 0 HB3AGLU D 72 22.419 30.925 39.589 0.50 12.92 H new ATOM 0 HB3BGLU D 72 22.975 32.850 40.934 0.50 12.92 H new ATOM 0 HG2AGLU D 72 24.196 31.861 40.878 0.50 19.54 H new ATOM 0 HG2BGLU D 72 21.147 30.936 39.921 0.50 19.54 H new ATOM 0 HG3AGLU D 72 23.148 32.800 41.549 0.50 19.54 H new ATOM 0 HG3BGLU D 72 21.413 31.132 41.445 0.50 19.54 H new ATOM 3858 N GLU D 73 23.299 35.109 39.379 1.00 12.36 N ATOM 3859 CA GLU D 73 22.949 36.525 39.568 1.00 11.98 C ATOM 3860 C GLU D 73 22.547 37.108 38.199 1.00 11.35 C ATOM 3861 O GLU D 73 21.582 37.862 38.123 1.00 11.43 O ATOM 3862 CB GLU D 73 24.161 37.299 40.114 1.00 11.48 C ATOM 3863 CG GLU D 73 24.479 37.011 41.619 1.00 13.89 C ATOM 3864 CD GLU D 73 25.252 35.747 41.840 1.00 15.84 C ATOM 3865 OE1 GLU D 73 25.646 34.981 40.945 1.00 15.82 O ATOM 3866 OE2 GLU D 73 25.441 35.502 43.042 1.00 13.57 O ATOM 0 H AGLU D 73 24.119 34.905 39.540 0.50 12.36 H new ATOM 0 H BGLU D 73 24.115 34.910 39.562 0.50 12.36 H new ATOM 0 HA GLU D 73 22.218 36.603 40.201 1.00 11.98 H new ATOM 0 HB2 GLU D 73 24.941 37.078 39.581 1.00 11.48 H new ATOM 0 HB3 GLU D 73 24.002 38.249 40.003 1.00 11.48 H new ATOM 0 HG2 GLU D 73 24.982 37.756 41.983 1.00 13.89 H new ATOM 0 HG3 GLU D 73 23.646 36.962 42.114 1.00 13.89 H new ATOM 3867 N GLN D 74 23.296 36.767 37.152 1.00 10.39 N ATOM 3868 CA GLN D 74 22.932 37.324 35.827 1.00 9.62 C ATOM 3869 C GLN D 74 21.624 36.748 35.335 1.00 10.40 C ATOM 3870 O GLN D 74 20.794 37.480 34.761 1.00 9.25 O ATOM 3871 CB GLN D 74 24.049 37.000 34.887 1.00 10.66 C ATOM 3872 CG GLN D 74 25.339 37.786 35.103 1.00 12.12 C ATOM 3873 CD GLN D 74 25.144 39.224 35.340 1.00 18.01 C ATOM 3874 OE1 GLN D 74 25.513 39.747 36.407 1.00 26.07 O ATOM 3875 NE2 GLN D 74 24.548 39.886 34.403 1.00 16.70 N ATOM 0 H GLN D 74 23.981 36.247 37.170 1.00 10.39 H new ATOM 0 HA GLN D 74 22.807 38.284 35.887 1.00 9.62 H new ATOM 0 HB2 GLN D 74 24.249 36.054 34.961 1.00 10.66 H new ATOM 0 HB3 GLN D 74 23.743 37.155 33.980 1.00 10.66 H new ATOM 0 HG2 GLN D 74 25.813 37.406 35.859 1.00 12.12 H new ATOM 0 HG3 GLN D 74 25.908 37.672 34.326 1.00 12.12 H new ATOM 0 HE21 GLN D 74 24.309 39.487 33.680 1.00 16.70 H new ATOM 0 HE22 GLN D 74 24.391 40.726 34.503 1.00 16.70 H new ATOM 3876 N TYR D 75 21.370 35.481 35.590 1.00 10.31 N ATOM 3877 CA TYR D 75 20.083 34.925 35.244 1.00 10.15 C ATOM 3878 C TYR D 75 18.940 35.692 35.900 1.00 10.81 C ATOM 3879 O TYR D 75 17.936 35.977 35.321 1.00 11.52 O ATOM 3880 CB TYR D 75 20.014 33.417 35.581 1.00 11.47 C ATOM 3881 CG TYR D 75 18.668 32.769 35.234 1.00 12.78 C ATOM 3882 CD1 TYR D 75 18.320 32.466 33.905 1.00 12.97 C ATOM 3883 CD2 TYR D 75 17.686 32.579 36.205 1.00 15.59 C ATOM 3884 CE1 TYR D 75 17.093 31.934 33.579 1.00 14.77 C ATOM 3885 CE2 TYR D 75 16.445 32.004 35.886 1.00 15.74 C ATOM 3886 CZ TYR D 75 16.166 31.698 34.557 1.00 17.90 C ATOM 3887 OH TYR D 75 14.956 31.143 34.179 1.00 18.22 O ATOM 0 H TYR D 75 21.921 34.933 35.958 1.00 10.31 H new ATOM 0 HA TYR D 75 19.978 35.019 34.284 1.00 10.15 H new ATOM 0 HB2 TYR D 75 20.720 32.954 35.103 1.00 11.47 H new ATOM 0 HB3 TYR D 75 20.187 33.297 36.528 1.00 11.47 H new ATOM 0 HD1 TYR D 75 18.936 32.630 33.228 1.00 12.97 H new ATOM 0 HD2 TYR D 75 17.856 32.838 37.082 1.00 15.59 H new ATOM 0 HE1 TYR D 75 16.894 31.735 32.693 1.00 14.77 H new ATOM 0 HE2 TYR D 75 15.820 31.830 36.552 1.00 15.74 H new ATOM 0 HH TYR D 75 14.422 31.168 34.827 1.00 18.22 H new ATOM 3888 N GLN D 76 19.087 36.018 37.197 1.00 11.55 N ATOM 3889 CA GLN D 76 18.064 36.794 37.846 1.00 13.35 C ATOM 3890 C GLN D 76 17.902 38.209 37.307 1.00 11.48 C ATOM 3891 O GLN D 76 16.777 38.667 37.185 1.00 11.72 O ATOM 3892 CB GLN D 76 18.321 36.806 39.381 1.00 14.52 C ATOM 3893 CG GLN D 76 18.083 35.458 40.042 1.00 20.04 C ATOM 3894 CD GLN D 76 16.742 34.822 39.699 1.00 22.57 C ATOM 3895 OE1 GLN D 76 15.702 35.495 39.625 1.00 24.96 O ATOM 3896 NE2 GLN D 76 16.757 33.509 39.528 1.00 28.40 N ATOM 0 H GLN D 76 19.756 35.799 37.691 1.00 11.55 H new ATOM 0 HA GLN D 76 17.220 36.358 37.647 1.00 13.35 H new ATOM 0 HB2 GLN D 76 19.235 37.083 39.547 1.00 14.52 H new ATOM 0 HB3 GLN D 76 17.744 37.468 39.794 1.00 14.52 H new ATOM 0 HG2 GLN D 76 18.793 34.851 39.781 1.00 20.04 H new ATOM 0 HG3 GLN D 76 18.142 35.566 41.004 1.00 20.04 H new ATOM 0 HE21 GLN D 76 17.498 33.076 39.587 1.00 28.40 H new ATOM 0 HE22 GLN D 76 16.026 33.089 39.358 1.00 28.40 H new ATOM 3897 N VAL D 77 19.003 38.863 36.954 1.00 10.82 N ATOM 3898 CA VAL D 77 18.914 40.196 36.326 1.00 10.37 C ATOM 3899 C VAL D 77 18.066 40.065 35.036 1.00 11.75 C ATOM 3900 O VAL D 77 17.164 40.862 34.748 1.00 11.22 O ATOM 3901 CB VAL D 77 20.297 40.711 35.970 1.00 9.75 C ATOM 3902 CG1 VAL D 77 20.230 41.845 34.940 1.00 11.74 C ATOM 3903 CG2 VAL D 77 21.029 41.172 37.248 1.00 11.59 C ATOM 0 H VAL D 77 19.803 38.566 37.063 1.00 10.82 H new ATOM 0 HA VAL D 77 18.505 40.821 36.945 1.00 10.37 H new ATOM 0 HB VAL D 77 20.796 39.985 35.564 1.00 9.75 H new ATOM 0 HG11 VAL D 77 21.128 42.150 34.735 1.00 11.74 H new ATOM 0 HG12 VAL D 77 19.806 41.522 34.130 1.00 11.74 H new ATOM 0 HG13 VAL D 77 19.714 42.582 35.303 1.00 11.74 H new ATOM 0 HG21 VAL D 77 21.912 41.500 37.015 1.00 11.59 H new ATOM 0 HG22 VAL D 77 20.523 41.882 37.673 1.00 11.59 H new ATOM 0 HG23 VAL D 77 21.113 40.424 37.860 1.00 11.59 H new ATOM 3904 N TYR D 78 18.351 39.027 34.246 1.00 10.12 N ATOM 3905 CA TYR D 78 17.608 38.728 33.016 1.00 10.29 C ATOM 3906 C TYR D 78 16.138 38.496 33.333 1.00 10.78 C ATOM 3907 O TYR D 78 15.262 39.115 32.649 1.00 11.60 O ATOM 3908 CB TYR D 78 18.275 37.506 32.394 1.00 9.72 C ATOM 3909 CG TYR D 78 17.535 36.741 31.324 1.00 9.47 C ATOM 3910 CD1 TYR D 78 17.607 37.107 29.986 1.00 11.36 C ATOM 3911 CD2 TYR D 78 16.837 35.588 31.660 1.00 8.56 C ATOM 3912 CE1 TYR D 78 17.012 36.316 29.012 1.00 10.94 C ATOM 3913 CE2 TYR D 78 16.231 34.800 30.694 1.00 8.89 C ATOM 3914 CZ TYR D 78 16.352 35.188 29.411 1.00 10.39 C ATOM 3915 OH TYR D 78 15.778 34.346 28.435 1.00 14.38 O ATOM 0 H TYR D 78 18.987 38.471 34.410 1.00 10.12 H new ATOM 0 HA TYR D 78 17.630 39.467 32.388 1.00 10.29 H new ATOM 0 HB2 TYR D 78 19.122 37.793 32.018 1.00 9.72 H new ATOM 0 HB3 TYR D 78 18.479 36.886 33.111 1.00 9.72 H new ATOM 0 HD1 TYR D 78 18.055 37.884 29.742 1.00 11.36 H new ATOM 0 HD2 TYR D 78 16.775 35.339 32.554 1.00 8.56 H new ATOM 0 HE1 TYR D 78 17.061 36.548 28.113 1.00 10.94 H new ATOM 0 HE2 TYR D 78 15.759 34.032 30.924 1.00 8.89 H new ATOM 0 HH TYR D 78 15.694 33.571 28.748 1.00 14.38 H new ATOM 3916 N MET D 79 15.835 37.687 34.352 1.00 11.59 N ATOM 3917 CA MET D 79 14.431 37.409 34.671 1.00 14.07 C ATOM 3918 C MET D 79 13.661 38.676 35.082 1.00 15.37 C ATOM 3919 O MET D 79 12.472 38.814 34.766 1.00 17.63 O ATOM 3920 CB MET D 79 14.342 36.319 35.717 1.00 16.57 C ATOM 3921 CG MET D 79 14.700 34.949 35.182 1.00 17.89 C ATOM 3922 SD MET D 79 13.757 34.465 33.672 1.00 21.65 S ATOM 3923 CE MET D 79 12.072 34.395 34.284 1.00 23.45 C ATOM 0 H MET D 79 16.411 37.298 34.859 1.00 11.59 H new ATOM 0 HA MET D 79 13.997 37.090 33.864 1.00 14.07 H new ATOM 0 HB2 MET D 79 14.934 36.537 36.454 1.00 16.57 H new ATOM 0 HB3 MET D 79 13.441 36.295 36.075 1.00 16.57 H new ATOM 0 HG2 MET D 79 15.649 34.928 34.980 1.00 17.89 H new ATOM 0 HG3 MET D 79 14.543 34.290 35.876 1.00 17.89 H new ATOM 0 HE1 MET D 79 11.479 34.114 33.569 1.00 23.45 H new ATOM 0 HE2 MET D 79 12.019 33.760 35.016 1.00 23.45 H new ATOM 0 HE3 MET D 79 11.805 35.273 34.598 1.00 23.45 H new ATOM 3924 N GLU D 80 14.344 39.615 35.723 1.00 14.32 N ATOM 3925 CA GLU D 80 13.682 40.862 36.194 1.00 16.53 C ATOM 3926 C GLU D 80 13.507 41.894 35.131 1.00 17.85 C ATOM 3927 O GLU D 80 12.699 42.810 35.278 1.00 21.12 O ATOM 3928 CB GLU D 80 14.450 41.424 37.378 1.00 15.41 C ATOM 3929 CG GLU D 80 14.495 40.528 38.584 1.00 23.17 C ATOM 3930 CD GLU D 80 13.249 40.576 39.446 1.00 31.07 C ATOM 3931 OE1 GLU D 80 12.337 41.381 39.138 1.00 33.83 O ATOM 3932 OE2 GLU D 80 13.213 39.815 40.453 1.00 34.63 O ATOM 0 H GLU D 80 15.184 39.565 35.901 1.00 14.32 H new ATOM 0 HA GLU D 80 12.782 40.620 36.464 1.00 16.53 H new ATOM 0 HB2 GLU D 80 15.359 41.613 37.097 1.00 15.41 H new ATOM 0 HB3 GLU D 80 14.051 42.270 37.634 1.00 15.41 H new ATOM 0 HG2 GLU D 80 14.637 39.615 38.290 1.00 23.17 H new ATOM 0 HG3 GLU D 80 15.260 40.773 39.127 1.00 23.17 H new ATOM 3933 N SER D 81 14.229 41.780 34.021 1.00 14.39 N ATOM 3934 CA SER D 81 14.356 42.820 33.063 1.00 14.22 C ATOM 3935 C SER D 81 13.112 43.063 32.185 1.00 13.58 C ATOM 3936 O SER D 81 12.590 42.116 31.593 1.00 13.27 O ATOM 3937 CB SER D 81 15.532 42.470 32.158 1.00 13.86 C ATOM 3938 OG SER D 81 15.599 43.270 31.093 1.00 17.07 O ATOM 0 H SER D 81 14.664 41.067 33.815 1.00 14.39 H new ATOM 0 HA SER D 81 14.484 43.642 33.562 1.00 14.22 H new ATOM 0 HB2 SER D 81 16.358 42.535 32.663 1.00 13.86 H new ATOM 0 HB3 SER D 81 15.450 41.549 31.865 1.00 13.86 H new ATOM 0 HG SER D 81 16.327 43.144 30.693 1.00 17.07 H new ATOM 3939 N ASP D 82 12.723 44.312 32.024 1.00 14.81 N ATOM 3940 CA ASP D 82 11.561 44.619 31.154 1.00 15.23 C ATOM 3941 C ASP D 82 11.908 44.394 29.704 1.00 13.56 C ATOM 3942 O ASP D 82 11.038 44.067 28.939 1.00 13.12 O ATOM 3943 CB ASP D 82 11.075 46.042 31.392 1.00 18.19 C ATOM 3944 CG ASP D 82 10.538 46.239 32.818 1.00 20.83 C ATOM 3945 OD1 ASP D 82 9.913 45.309 33.416 1.00 26.37 O ATOM 3946 OD2 ASP D 82 10.811 47.322 33.319 1.00 29.35 O ATOM 0 H ASP D 82 13.096 44.994 32.392 1.00 14.81 H new ATOM 0 HA ASP D 82 10.837 44.015 31.382 1.00 15.23 H new ATOM 0 HB2 ASP D 82 11.804 46.662 31.234 1.00 18.19 H new ATOM 0 HB3 ASP D 82 10.377 46.255 30.753 1.00 18.19 H new ATOM 3947 N AILE D 83 13.167 44.537 29.248 0.50 13.63 N ATOM 3948 N BILE D 83 13.182 44.450 29.389 0.50 14.55 N ATOM 3949 CA AILE D 83 13.442 44.232 27.809 0.50 12.15 C ATOM 3950 CA BILE D 83 13.666 44.214 28.064 0.50 13.40 C ATOM 3951 C AILE D 83 13.358 42.704 27.571 0.50 11.85 C ATOM 3952 C BILE D 83 13.397 42.749 27.637 0.50 12.82 C ATOM 3953 O AILE D 83 12.874 42.318 26.512 0.50 10.92 O ATOM 3954 O BILE D 83 12.886 42.444 26.542 0.50 12.10 O ATOM 3955 CB AILE D 83 14.723 44.946 27.123 0.50 10.92 C ATOM 3956 CB BILE D 83 15.168 44.436 28.099 0.50 13.55 C ATOM 3957 CG1AILE D 83 14.713 44.881 25.584 0.50 11.91 C ATOM 3958 CG1BILE D 83 15.518 45.819 28.678 0.50 13.85 C ATOM 3959 CG2AILE D 83 16.019 44.304 27.551 0.50 14.12 C ATOM 3960 CG2BILE D 83 15.684 44.353 26.699 0.50 12.94 C ATOM 3961 CD1AILE D 83 13.759 45.842 24.875 0.50 14.66 C ATOM 3962 CD1BILE D 83 15.525 46.078 30.237 0.50 8.91 C ATOM 0 H AILE D 83 13.843 44.792 29.715 0.50 14.55 H new ATOM 0 H BILE D 83 13.801 44.631 29.958 0.50 14.55 H new ATOM 0 HA AILE D 83 12.732 44.671 27.316 0.50 13.40 H new ATOM 0 HA BILE D 83 13.222 44.805 27.436 0.50 13.40 H new ATOM 0 HB AILE D 83 14.661 45.868 27.419 0.50 13.55 H new ATOM 0 HB BILE D 83 15.572 43.760 28.665 0.50 13.55 H new ATOM 0 HG12AILE D 83 15.613 45.054 25.266 0.50 13.85 H new ATOM 0 HG12BILE D 83 16.401 46.048 28.349 0.50 13.85 H new ATOM 0 HG13AILE D 83 14.487 43.976 25.318 0.50 13.85 H new ATOM 0 HG13BILE D 83 14.897 46.454 28.288 0.50 13.85 H new ATOM 0 HG21AILE D 83 16.762 44.756 27.122 0.50 12.94 H new ATOM 0 HG21BILE D 83 16.644 44.492 26.699 0.50 12.94 H new ATOM 0 HG22AILE D 83 16.112 44.373 28.514 0.50 12.94 H new ATOM 0 HG22BILE D 83 15.485 43.478 26.332 0.50 12.94 H new ATOM 0 HG23AILE D 83 16.018 43.369 27.293 0.50 12.94 H new ATOM 0 HG23BILE D 83 15.259 45.035 26.156 0.50 12.94 H new ATOM 0 HD11AILE D 83 13.831 45.720 23.915 0.50 8.91 H new ATOM 0 HD11BILE D 83 15.767 47.001 30.411 0.50 8.91 H new ATOM 0 HD12AILE D 83 12.849 45.661 25.156 0.50 8.91 H new ATOM 0 HD12BILE D 83 14.642 45.902 30.598 0.50 8.91 H new ATOM 0 HD13AILE D 83 13.991 46.756 25.103 0.50 8.91 H new ATOM 0 HD13BILE D 83 16.170 45.490 30.660 0.50 8.91 H new ATOM 3963 N ARG D 84 13.721 41.863 28.550 1.00 11.59 N ATOM 3964 CA ARG D 84 13.476 40.421 28.420 1.00 11.59 C ATOM 3965 C ARG D 84 12.009 40.164 28.290 1.00 11.58 C ATOM 3966 O ARG D 84 11.593 39.403 27.408 1.00 11.23 O ATOM 3967 CB ARG D 84 14.031 39.586 29.597 1.00 13.52 C ATOM 3968 CG ARG D 84 13.702 38.046 29.341 1.00 13.96 C ATOM 3969 CD ARG D 84 13.703 37.214 30.502 1.00 18.02 C ATOM 3970 NE ARG D 84 12.808 37.675 31.541 1.00 17.57 N ATOM 3971 CZ ARG D 84 11.526 37.397 31.617 1.00 18.49 C ATOM 3972 NH1 ARG D 84 10.911 36.727 30.626 1.00 17.13 N ATOM 3973 NH2 ARG D 84 10.865 37.830 32.658 1.00 19.66 N ATOM 0 H AARG D 84 14.103 42.102 29.283 0.50 11.59 H new ATOM 0 H BARG D 84 14.102 42.077 29.291 0.50 11.59 H new ATOM 0 HA ARG D 84 13.952 40.139 27.623 1.00 11.59 H new ATOM 0 HB2 ARG D 84 14.989 39.715 29.677 1.00 13.52 H new ATOM 0 HB3 ARG D 84 13.634 39.879 30.432 1.00 13.52 H new ATOM 0 HG2 ARG D 84 12.831 37.984 28.919 1.00 13.96 H new ATOM 0 HG3 ARG D 84 14.349 37.694 28.710 1.00 13.96 H new ATOM 0 HD2 ARG D 84 13.453 36.313 30.246 1.00 18.02 H new ATOM 0 HD3 ARG D 84 14.604 37.168 30.858 1.00 18.02 H new ATOM 0 HE ARG D 84 13.142 38.171 32.159 1.00 17.57 H new ATOM 0 HH11 ARG D 84 11.357 36.477 29.935 1.00 17.13 H new ATOM 0 HH12 ARG D 84 10.072 36.549 30.684 1.00 17.13 H new ATOM 0 HH21 ARG D 84 11.270 38.282 33.267 1.00 19.66 H new ATOM 0 HH22 ARG D 84 10.025 37.663 32.734 1.00 19.66 H new ATOM 3974 N LYS D 85 11.181 40.764 29.139 1.00 11.58 N ATOM 3975 CA LYS D 85 9.751 40.567 29.009 1.00 12.06 C ATOM 3976 C LYS D 85 9.224 40.952 27.622 1.00 11.34 C ATOM 3977 O LYS D 85 8.414 40.223 26.994 1.00 12.13 O ATOM 3978 CB LYS D 85 9.030 41.373 30.126 1.00 14.23 C ATOM 3979 CG LYS D 85 9.364 40.750 31.456 1.00 17.42 C ATOM 3980 CD LYS D 85 8.819 41.586 32.624 1.00 22.81 C ATOM 3981 CE LYS D 85 9.440 41.103 33.915 1.00 23.68 C ATOM 3982 NZ LYS D 85 9.013 42.021 35.037 1.00 29.96 N ATOM 0 H LYS D 85 11.424 41.279 29.784 1.00 11.58 H new ATOM 0 HA LYS D 85 9.564 39.621 29.110 1.00 12.06 H new ATOM 0 HB2 LYS D 85 9.312 42.301 30.108 1.00 14.23 H new ATOM 0 HB3 LYS D 85 8.071 41.365 29.982 1.00 14.23 H new ATOM 0 HG2 LYS D 85 8.993 39.855 31.497 1.00 17.42 H new ATOM 0 HG3 LYS D 85 10.326 40.663 31.541 1.00 17.42 H new ATOM 0 HD2 LYS D 85 9.022 42.524 32.486 1.00 22.81 H new ATOM 0 HD3 LYS D 85 7.853 41.508 32.668 1.00 22.81 H new ATOM 0 HE2 LYS D 85 9.161 40.193 34.102 1.00 23.68 H new ATOM 0 HE3 LYS D 85 10.407 41.093 33.839 1.00 23.68 H new ATOM 0 HZ1 LYS D 85 9.374 41.744 35.802 1.00 29.96 H new ATOM 0 HZ2 LYS D 85 9.287 42.850 34.863 1.00 29.96 H new ATOM 0 HZ3 LYS D 85 8.126 42.011 35.108 1.00 29.96 H new ATOM 3983 N ALA D 86 9.698 42.054 27.061 1.00 10.50 N ATOM 3984 CA ALA D 86 9.305 42.464 25.705 1.00 10.88 C ATOM 3985 C ALA D 86 9.812 41.454 24.660 1.00 11.90 C ATOM 3986 O ALA D 86 9.122 41.153 23.680 1.00 13.12 O ATOM 3987 CB ALA D 86 9.814 43.876 25.370 1.00 12.53 C ATOM 0 H ALA D 86 10.253 42.587 27.445 1.00 10.50 H new ATOM 0 HA ALA D 86 8.336 42.482 25.678 1.00 10.88 H new ATOM 0 HB1 ALA D 86 9.538 44.115 24.471 1.00 12.53 H new ATOM 0 HB2 ALA D 86 9.443 44.512 26.001 1.00 12.53 H new ATOM 0 HB3 ALA D 86 10.782 43.893 25.426 1.00 12.53 H new ATOM 3988 N TRP D 87 11.009 40.924 24.864 1.00 10.59 N ATOM 3989 CA TRP D 87 11.553 39.919 23.932 1.00 10.68 C ATOM 3990 C TRP D 87 10.663 38.670 23.960 1.00 10.99 C ATOM 3991 O TRP D 87 10.324 38.121 22.887 1.00 11.42 O ATOM 3992 CB TRP D 87 12.962 39.592 24.425 1.00 9.31 C ATOM 3993 CG TRP D 87 13.765 38.658 23.535 1.00 9.06 C ATOM 3994 CD1 TRP D 87 13.989 38.804 22.175 1.00 8.21 C ATOM 3995 CD2 TRP D 87 14.600 37.579 23.992 1.00 9.09 C ATOM 3996 NE1 TRP D 87 14.877 37.805 21.757 1.00 9.20 N ATOM 3997 CE2 TRP D 87 15.239 37.040 22.843 1.00 9.31 C ATOM 3998 CE3 TRP D 87 14.818 36.992 25.228 1.00 10.25 C ATOM 3999 CZ2 TRP D 87 16.129 35.932 22.906 1.00 10.54 C ATOM 4000 CZ3 TRP D 87 15.684 35.891 25.301 1.00 11.85 C ATOM 4001 CH2 TRP D 87 16.342 35.375 24.146 1.00 11.80 C ATOM 0 H TRP D 87 11.524 41.123 25.524 1.00 10.59 H new ATOM 0 HA TRP D 87 11.578 40.245 23.019 1.00 10.68 H new ATOM 0 HB2 TRP D 87 13.454 40.422 24.524 1.00 9.31 H new ATOM 0 HB3 TRP D 87 12.895 39.195 25.307 1.00 9.31 H new ATOM 0 HD1 TRP D 87 13.612 39.457 21.630 1.00 8.21 H new ATOM 0 HE1 TRP D 87 15.152 37.688 20.951 1.00 9.20 H new ATOM 0 HE3 TRP D 87 14.400 37.320 25.991 1.00 10.25 H new ATOM 0 HZ2 TRP D 87 16.547 35.600 22.145 1.00 10.54 H new ATOM 0 HZ3 TRP D 87 15.833 35.487 26.125 1.00 11.85 H new ATOM 0 HH2 TRP D 87 16.922 34.653 24.232 1.00 11.80 H new ATOM 4002 N PHE D 88 10.216 38.279 25.136 1.00 10.51 N ATOM 4003 CA PHE D 88 9.307 37.126 25.264 1.00 11.34 C ATOM 4004 C PHE D 88 7.943 37.402 24.594 1.00 11.77 C ATOM 4005 O PHE D 88 7.337 36.462 24.100 1.00 13.11 O ATOM 4006 CB PHE D 88 9.138 36.659 26.729 1.00 12.95 C ATOM 4007 CG PHE D 88 10.212 35.763 27.258 1.00 13.55 C ATOM 4008 CD1 PHE D 88 11.556 35.925 26.962 1.00 13.31 C ATOM 4009 CD2 PHE D 88 9.857 34.744 28.166 1.00 17.03 C ATOM 4010 CE1 PHE D 88 12.533 35.102 27.538 1.00 15.42 C ATOM 4011 CE2 PHE D 88 10.845 33.909 28.724 1.00 18.47 C ATOM 4012 CZ PHE D 88 12.169 34.074 28.406 1.00 15.43 C ATOM 0 H PHE D 88 10.419 38.659 25.880 1.00 10.51 H new ATOM 0 HA PHE D 88 9.726 36.391 24.789 1.00 11.34 H new ATOM 0 HB2 PHE D 88 9.087 37.444 27.296 1.00 12.95 H new ATOM 0 HB3 PHE D 88 8.288 36.197 26.807 1.00 12.95 H new ATOM 0 HD1 PHE D 88 11.815 36.593 26.369 1.00 13.31 H new ATOM 0 HD2 PHE D 88 8.965 34.622 28.398 1.00 17.03 H new ATOM 0 HE1 PHE D 88 13.431 35.243 27.340 1.00 15.42 H new ATOM 0 HE2 PHE D 88 10.596 33.237 29.316 1.00 18.47 H new ATOM 0 HZ PHE D 88 12.814 33.508 28.764 1.00 15.43 H new ATOM 4013 N GLU D 89 7.482 38.653 24.542 1.00 12.17 N ATOM 4014 CA GLU D 89 6.254 38.939 23.784 1.00 13.02 C ATOM 4015 C GLU D 89 6.472 38.661 22.312 1.00 13.63 C ATOM 4016 O GLU D 89 5.561 38.156 21.637 1.00 15.52 O ATOM 4017 CB GLU D 89 5.820 40.398 24.036 1.00 15.80 C ATOM 4018 CG GLU D 89 5.260 40.679 25.432 1.00 21.45 C ATOM 4019 CD GLU D 89 4.079 39.796 25.746 1.00 22.61 C ATOM 4020 OE1 GLU D 89 3.139 39.752 24.933 1.00 31.34 O ATOM 4021 OE2 GLU D 89 4.110 39.122 26.780 1.00 29.03 O ATOM 0 H GLU D 89 7.848 39.331 24.923 1.00 12.17 H new ATOM 0 HA GLU D 89 5.539 38.357 24.085 1.00 13.02 H new ATOM 0 HB2 GLU D 89 6.583 40.978 23.887 1.00 15.80 H new ATOM 0 HB3 GLU D 89 5.148 40.639 23.379 1.00 15.80 H new ATOM 0 HG2 GLU D 89 5.955 40.538 26.094 1.00 21.45 H new ATOM 0 HG3 GLU D 89 4.994 41.610 25.493 1.00 21.45 H new ATOM 4022 N HIS D 90 7.662 38.998 21.775 1.00 11.89 N ATOM 4023 CA HIS D 90 7.975 38.584 20.414 1.00 12.20 C ATOM 4024 C HIS D 90 7.987 37.081 20.257 1.00 12.59 C ATOM 4025 O HIS D 90 7.472 36.517 19.244 1.00 11.93 O ATOM 4026 CB HIS D 90 9.260 39.241 19.881 1.00 11.19 C ATOM 4027 CG HIS D 90 9.591 38.804 18.502 1.00 11.10 C ATOM 4028 ND1 HIS D 90 10.624 37.935 18.199 1.00 9.23 N ATOM 4029 CD2 HIS D 90 8.950 39.042 17.320 1.00 13.01 C ATOM 4030 CE1 HIS D 90 10.641 37.697 16.891 1.00 11.65 C ATOM 4031 NE2 HIS D 90 9.602 38.338 16.344 1.00 12.20 N ATOM 0 H HIS D 90 8.275 39.450 22.175 1.00 11.89 H new ATOM 0 HA HIS D 90 7.251 38.910 19.857 1.00 12.20 H new ATOM 0 HB2 HIS D 90 9.157 40.205 19.896 1.00 11.19 H new ATOM 0 HB3 HIS D 90 9.999 39.026 20.472 1.00 11.19 H new ATOM 0 HD2 HIS D 90 8.204 39.585 17.200 1.00 13.01 H new ATOM 0 HE1 HIS D 90 11.264 37.177 16.437 1.00 11.65 H new ATOM 0 HE2 HIS D 90 9.380 38.312 15.514 1.00 12.20 H new ATOM 4032 N GLY D 91 8.564 36.378 21.222 1.00 12.32 N ATOM 4033 CA GLY D 91 8.450 34.934 21.270 1.00 11.86 C ATOM 4034 C GLY D 91 7.052 34.392 21.161 1.00 12.94 C ATOM 4035 O GLY D 91 6.819 33.370 20.472 1.00 13.59 O ATOM 0 H GLY D 91 9.027 36.722 21.860 1.00 12.32 H new ATOM 0 HA2 GLY D 91 8.983 34.559 20.551 1.00 11.86 H new ATOM 0 HA3 GLY D 91 8.837 34.622 22.103 1.00 11.86 H new ATOM 4036 N LYS D 92 6.098 35.034 21.821 1.00 14.60 N ATOM 4037 CA LYS D 92 4.717 34.533 21.739 1.00 15.93 C ATOM 4038 C LYS D 92 4.166 34.628 20.348 1.00 16.07 C ATOM 4039 O LYS D 92 3.260 33.828 19.947 1.00 18.51 O ATOM 4040 CB LYS D 92 3.835 35.395 22.650 1.00 17.78 C ATOM 4041 CG LYS D 92 4.082 35.165 24.068 1.00 21.80 C ATOM 4042 CD LYS D 92 3.206 36.101 24.921 1.00 28.53 C ATOM 4043 CE LYS D 92 3.539 35.972 26.399 1.00 30.00 C ATOM 4044 NZ LYS D 92 2.744 36.950 27.206 1.00 33.77 N ATOM 0 H LYS D 92 6.213 35.735 22.306 1.00 14.60 H new ATOM 0 HA LYS D 92 4.721 33.601 22.007 1.00 15.93 H new ATOM 0 HB2 LYS D 92 3.988 36.331 22.448 1.00 17.78 H new ATOM 0 HB3 LYS D 92 2.902 35.212 22.456 1.00 17.78 H new ATOM 0 HG2 LYS D 92 3.890 34.240 24.290 1.00 21.80 H new ATOM 0 HG3 LYS D 92 5.019 35.317 24.268 1.00 21.80 H new ATOM 0 HD2 LYS D 92 3.337 37.019 24.636 1.00 28.53 H new ATOM 0 HD3 LYS D 92 2.270 35.891 24.778 1.00 28.53 H new ATOM 0 HE2 LYS D 92 3.352 35.069 26.700 1.00 30.00 H new ATOM 0 HE3 LYS D 92 4.487 36.126 26.537 1.00 30.00 H new ATOM 0 HZ1 LYS D 92 2.609 36.621 28.022 1.00 33.77 H new ATOM 0 HZ2 LYS D 92 3.190 37.718 27.266 1.00 33.77 H new ATOM 0 HZ3 LYS D 92 1.960 37.093 26.811 1.00 33.77 H new ATOM 4045 N TYR D 93 4.659 35.574 19.578 1.00 15.10 N ATOM 4046 CA TYR D 93 4.232 35.773 18.200 1.00 16.24 C ATOM 4047 C TYR D 93 4.773 34.662 17.271 1.00 15.45 C ATOM 4048 O TYR D 93 4.057 34.168 16.378 1.00 17.35 O ATOM 4049 CB TYR D 93 4.621 37.178 17.703 1.00 17.85 C ATOM 4050 CG TYR D 93 4.371 37.419 16.247 1.00 20.80 C ATOM 4051 CD1 TYR D 93 3.060 37.535 15.770 1.00 26.74 C ATOM 4052 CD2 TYR D 93 5.408 37.529 15.345 1.00 21.81 C ATOM 4053 CE1 TYR D 93 2.814 37.750 14.454 1.00 26.58 C ATOM 4054 CE2 TYR D 93 5.169 37.732 14.002 1.00 24.78 C ATOM 4055 CZ TYR D 93 3.850 37.852 13.564 1.00 26.47 C ATOM 4056 OH TYR D 93 3.560 38.062 12.230 1.00 32.30 O ATOM 0 H TYR D 93 5.261 36.130 19.839 1.00 15.10 H new ATOM 0 HA TYR D 93 3.264 35.712 18.176 1.00 16.24 H new ATOM 0 HB2 TYR D 93 4.128 37.837 18.216 1.00 17.85 H new ATOM 0 HB3 TYR D 93 5.563 37.323 17.885 1.00 17.85 H new ATOM 0 HD1 TYR D 93 2.348 37.464 16.364 1.00 26.74 H new ATOM 0 HD2 TYR D 93 6.285 37.465 15.648 1.00 21.81 H new ATOM 0 HE1 TYR D 93 1.937 37.829 14.154 1.00 26.58 H new ATOM 0 HE2 TYR D 93 5.875 37.788 13.399 1.00 24.78 H new ATOM 0 HH TYR D 93 4.275 38.107 11.791 1.00 32.30 H new ATOM 4057 N PHE D 94 6.056 34.289 17.369 1.00 12.18 N ATOM 4058 CA PHE D 94 6.604 33.342 16.360 1.00 11.99 C ATOM 4059 C PHE D 94 6.915 31.926 16.856 1.00 10.38 C ATOM 4060 O PHE D 94 7.396 31.098 16.074 1.00 11.81 O ATOM 4061 CB PHE D 94 7.855 33.914 15.636 1.00 11.95 C ATOM 4062 CG PHE D 94 9.172 33.734 16.413 1.00 10.14 C ATOM 4063 CD1 PHE D 94 9.480 34.476 17.584 1.00 10.08 C ATOM 4064 CD2 PHE D 94 10.111 32.806 15.929 1.00 9.94 C ATOM 4065 CE1 PHE D 94 10.672 34.197 18.259 1.00 11.02 C ATOM 4066 CE2 PHE D 94 11.317 32.518 16.610 1.00 11.77 C ATOM 4067 CZ PHE D 94 11.600 33.243 17.783 1.00 10.55 C ATOM 0 H PHE D 94 6.607 34.551 17.975 1.00 12.18 H new ATOM 0 HA PHE D 94 5.864 33.249 15.740 1.00 11.99 H new ATOM 0 HB2 PHE D 94 7.940 33.484 14.771 1.00 11.95 H new ATOM 0 HB3 PHE D 94 7.716 34.860 15.470 1.00 11.95 H new ATOM 0 HD1 PHE D 94 8.901 35.134 17.895 1.00 10.08 H new ATOM 0 HD2 PHE D 94 9.932 32.364 15.130 1.00 9.94 H new ATOM 0 HE1 PHE D 94 10.861 34.654 19.047 1.00 11.02 H new ATOM 0 HE2 PHE D 94 11.904 31.870 16.293 1.00 11.77 H new ATOM 0 HZ PHE D 94 12.395 33.095 18.243 1.00 10.55 H new ATOM 4068 N ILE D 95 6.692 31.675 18.150 1.00 9.97 N ATOM 4069 CA ILE D 95 6.911 30.362 18.730 1.00 10.73 C ATOM 4070 C ILE D 95 5.542 29.774 19.110 1.00 12.24 C ATOM 4071 O ILE D 95 4.929 30.239 20.099 1.00 13.89 O ATOM 4072 CB ILE D 95 7.858 30.344 19.924 1.00 10.90 C ATOM 4073 CG1 ILE D 95 9.217 30.939 19.547 1.00 10.88 C ATOM 4074 CG2 ILE D 95 8.054 28.918 20.376 1.00 12.03 C ATOM 4075 CD1 ILE D 95 10.045 31.276 20.783 1.00 14.41 C ATOM 0 H ILE D 95 6.410 32.265 18.709 1.00 9.97 H new ATOM 0 HA ILE D 95 7.357 29.820 18.060 1.00 10.73 H new ATOM 0 HB ILE D 95 7.471 30.876 20.637 1.00 10.90 H new ATOM 0 HG12 ILE D 95 9.704 30.310 18.992 1.00 10.88 H new ATOM 0 HG13 ILE D 95 9.084 31.741 19.017 1.00 10.88 H new ATOM 0 HG21 ILE D 95 8.656 28.899 21.136 1.00 12.03 H new ATOM 0 HG22 ILE D 95 7.199 28.539 20.632 1.00 12.03 H new ATOM 0 HG23 ILE D 95 8.433 28.398 19.651 1.00 12.03 H new ATOM 0 HD11 ILE D 95 10.897 31.650 20.510 1.00 14.41 H new ATOM 0 HD12 ILE D 95 9.568 31.923 21.326 1.00 14.41 H new ATOM 0 HD13 ILE D 95 10.197 30.470 21.301 1.00 14.41 H new ATOM 4076 N GLY D 96 5.126 28.746 18.406 1.00 11.36 N ATOM 4077 CA GLY D 96 3.828 28.063 18.675 1.00 12.52 C ATOM 4078 C GLY D 96 3.934 27.175 19.896 1.00 13.11 C ATOM 4079 O GLY D 96 2.968 27.111 20.698 1.00 15.07 O ATOM 0 H GLY D 96 5.571 28.406 17.753 1.00 11.36 H new ATOM 0 HA2 GLY D 96 3.131 28.724 18.810 1.00 12.52 H new ATOM 0 HA3 GLY D 96 3.571 27.532 17.905 1.00 12.52 H new ATOM 4080 N GLN D 97 5.016 26.415 20.065 1.00 12.56 N ATOM 4081 CA GLN D 97 5.190 25.488 21.172 1.00 12.61 C ATOM 4082 C GLN D 97 6.682 25.495 21.488 1.00 12.41 C ATOM 4083 O GLN D 97 7.514 25.638 20.566 1.00 12.16 O ATOM 4084 CB GLN D 97 4.741 24.063 20.832 1.00 14.29 C ATOM 4085 CG GLN D 97 3.243 23.915 20.392 1.00 15.76 C ATOM 4086 CD GLN D 97 3.067 22.594 19.657 1.00 20.90 C ATOM 4087 OE1 GLN D 97 2.934 21.564 20.267 1.00 27.42 O ATOM 4088 NE2 GLN D 97 3.190 22.623 18.352 1.00 21.98 N ATOM 0 H GLN D 97 5.684 26.428 19.523 1.00 12.56 H new ATOM 0 HA GLN D 97 4.643 25.767 21.923 1.00 12.61 H new ATOM 0 HB2 GLN D 97 5.306 23.724 20.120 1.00 14.29 H new ATOM 0 HB3 GLN D 97 4.892 23.499 21.607 1.00 14.29 H new ATOM 0 HG2 GLN D 97 2.662 23.946 21.168 1.00 15.76 H new ATOM 0 HG3 GLN D 97 2.989 24.654 19.817 1.00 15.76 H new ATOM 0 HE21 GLN D 97 3.283 23.375 17.946 1.00 21.98 H new ATOM 0 HE22 GLN D 97 3.177 21.890 17.902 1.00 21.98 H new ATOM 4089 N ALEU D 98 7.028 25.292 22.755 0.50 11.88 N ATOM 4090 N BLEU D 98 7.024 25.289 22.760 0.50 12.54 N ATOM 4091 CA ALEU D 98 8.434 25.366 23.200 0.50 12.17 C ATOM 4092 CA BLEU D 98 8.410 25.436 23.264 0.50 13.44 C ATOM 4093 C ALEU D 98 8.708 24.359 24.272 0.50 12.49 C ATOM 4094 C BLEU D 98 8.694 24.340 24.270 0.50 13.23 C ATOM 4095 O ALEU D 98 7.901 24.192 25.188 0.50 13.38 O ATOM 4096 O BLEU D 98 7.855 24.064 25.127 0.50 14.28 O ATOM 4097 CB ALEU D 98 8.705 26.768 23.767 0.50 13.97 C ATOM 4098 CB BLEU D 98 8.536 26.824 23.953 0.50 15.24 C ATOM 4099 CG ALEU D 98 10.052 27.161 24.316 0.50 13.62 C ATOM 4100 CG BLEU D 98 9.874 27.468 24.287 0.50 17.84 C ATOM 4101 CD1ALEU D 98 11.015 27.185 23.187 0.50 16.30 C ATOM 4102 CD1BLEU D 98 10.579 26.632 25.314 0.50 20.56 C ATOM 4103 CD2ALEU D 98 9.863 28.579 24.921 0.50 13.84 C ATOM 4104 CD2BLEU D 98 10.752 27.718 23.066 0.50 19.07 C ATOM 0 H ALEU D 98 6.468 25.109 23.381 0.50 12.54 H new ATOM 0 H BLEU D 98 6.460 25.058 23.366 0.50 12.54 H new ATOM 0 HA ALEU D 98 9.008 25.183 22.440 0.50 13.44 H new ATOM 0 HA BLEU D 98 9.045 25.369 22.533 0.50 13.44 H new ATOM 0 HB2ALEU D 98 8.495 27.400 23.062 0.50 15.24 H new ATOM 0 HB2BLEU D 98 8.061 27.455 23.390 0.50 15.24 H new ATOM 0 HB3ALEU D 98 8.061 26.912 24.478 0.50 15.24 H new ATOM 0 HB3BLEU D 98 8.045 26.762 24.787 0.50 15.24 H new ATOM 0 HG ALEU D 98 10.388 26.549 24.990 0.50 17.84 H new ATOM 0 HG BLEU D 98 9.694 28.349 24.650 0.50 17.84 H new ATOM 0 HD11ALEU D 98 11.893 27.436 23.515 0.50 20.56 H new ATOM 0 HD11BLEU D 98 11.433 27.038 25.531 0.50 20.56 H new ATOM 0 HD12ALEU D 98 11.061 26.305 22.782 0.50 20.56 H new ATOM 0 HD12BLEU D 98 10.035 26.576 26.115 0.50 20.56 H new ATOM 0 HD13ALEU D 98 10.721 27.830 22.525 0.50 20.56 H new ATOM 0 HD13BLEU D 98 10.726 25.741 24.961 0.50 20.56 H new ATOM 0 HD21ALEU D 98 10.704 28.887 25.293 0.50 19.07 H new ATOM 0 HD21BLEU D 98 11.586 28.128 23.345 0.50 19.07 H new ATOM 0 HD22ALEU D 98 9.573 29.191 24.227 0.50 19.07 H new ATOM 0 HD22BLEU D 98 10.939 26.875 22.623 0.50 19.07 H new ATOM 0 HD23ALEU D 98 9.193 28.545 25.622 0.50 19.07 H new ATOM 0 HD23BLEU D 98 10.291 28.310 22.451 0.50 19.07 H new ATOM 4105 N LYS D 99 9.863 23.694 24.185 1.00 11.67 N ATOM 4106 CA LYS D 99 10.343 22.797 25.226 1.00 13.14 C ATOM 4107 C LYS D 99 11.720 23.306 25.740 1.00 12.01 C ATOM 4108 O LYS D 99 12.680 23.281 24.961 1.00 11.57 O ATOM 4109 CB LYS D 99 10.534 21.361 24.644 1.00 14.87 C ATOM 4110 CG LYS D 99 11.317 20.409 25.553 1.00 17.35 C ATOM 4111 CD LYS D 99 10.497 20.057 26.799 1.00 19.10 C ATOM 4112 CE LYS D 99 11.453 19.371 27.748 1.00 19.47 C ATOM 4113 NZ LYS D 99 10.619 19.005 28.914 1.00 21.91 N ATOM 0 H ALYS D 99 10.392 23.755 23.510 0.50 11.67 H new ATOM 0 H BLYS D 99 10.398 23.769 23.516 0.50 11.67 H new ATOM 0 HA LYS D 99 9.696 22.774 25.949 1.00 13.14 H new ATOM 0 HB2 LYS D 99 9.661 20.977 24.467 1.00 14.87 H new ATOM 0 HB3 LYS D 99 10.993 21.428 23.792 1.00 14.87 H new ATOM 0 HG2 LYS D 99 11.540 19.600 25.067 1.00 17.35 H new ATOM 0 HG3 LYS D 99 12.155 20.821 25.817 1.00 17.35 H new ATOM 0 HD2 LYS D 99 10.120 20.854 27.203 1.00 19.10 H new ATOM 0 HD3 LYS D 99 9.755 19.475 26.573 1.00 19.10 H new ATOM 0 HE2 LYS D 99 11.854 18.587 27.340 1.00 19.47 H new ATOM 0 HE3 LYS D 99 12.180 19.960 28.004 1.00 19.47 H new ATOM 0 HZ1 LYS D 99 11.112 18.554 29.502 1.00 21.91 H new ATOM 0 HZ2 LYS D 99 10.303 19.744 29.297 1.00 21.91 H new ATOM 0 HZ3 LYS D 99 9.939 18.497 28.645 1.00 21.91 H new ATOM 4114 N PRO D 100 11.858 23.736 27.010 1.00 11.29 N ATOM 4115 CA PRO D 100 13.182 24.098 27.576 1.00 12.20 C ATOM 4116 C PRO D 100 13.840 22.940 28.261 1.00 11.11 C ATOM 4117 O PRO D 100 13.174 22.093 28.905 1.00 12.58 O ATOM 4118 CB PRO D 100 12.867 25.163 28.619 1.00 14.20 C ATOM 4119 CG PRO D 100 11.382 25.204 28.706 1.00 16.42 C ATOM 4120 CD PRO D 100 10.750 24.138 27.910 1.00 12.61 C ATOM 0 HA PRO D 100 13.788 24.390 26.877 1.00 12.20 H new ATOM 0 HB2 PRO D 100 13.261 24.940 29.477 1.00 14.20 H new ATOM 0 HB3 PRO D 100 13.226 26.025 28.358 1.00 14.20 H new ATOM 0 HG2 PRO D 100 11.111 25.117 29.633 1.00 16.42 H new ATOM 0 HG3 PRO D 100 11.065 26.067 28.398 1.00 16.42 H new ATOM 0 HD2 PRO D 100 10.445 23.402 28.464 1.00 12.61 H new ATOM 0 HD3 PRO D 100 9.979 24.460 27.417 1.00 12.61 H new ATOM 4121 N PHE D 101 15.175 22.910 28.151 1.00 9.20 N ATOM 4122 CA PHE D 101 16.000 21.941 28.890 1.00 9.41 C ATOM 4123 C PHE D 101 17.086 22.716 29.587 1.00 10.38 C ATOM 4124 O PHE D 101 17.972 23.311 28.934 1.00 11.18 O ATOM 4125 CB PHE D 101 16.710 20.934 27.945 1.00 10.52 C ATOM 4126 CG PHE D 101 15.839 20.103 27.054 1.00 11.66 C ATOM 4127 CD1 PHE D 101 15.143 18.981 27.541 1.00 13.78 C ATOM 4128 CD2 PHE D 101 15.878 20.339 25.685 1.00 15.42 C ATOM 4129 CE1 PHE D 101 14.399 18.166 26.662 1.00 14.83 C ATOM 4130 CE2 PHE D 101 15.161 19.522 24.810 1.00 14.75 C ATOM 4131 CZ PHE D 101 14.414 18.427 25.301 1.00 15.91 C ATOM 0 H PHE D 101 15.625 23.446 27.651 1.00 9.20 H new ATOM 0 HA PHE D 101 15.422 21.450 29.495 1.00 9.41 H new ATOM 0 HB2 PHE D 101 17.327 21.431 27.385 1.00 10.52 H new ATOM 0 HB3 PHE D 101 17.242 20.334 28.490 1.00 10.52 H new ATOM 0 HD1 PHE D 101 15.174 18.776 28.448 1.00 13.78 H new ATOM 0 HD2 PHE D 101 16.384 21.044 25.351 1.00 15.42 H new ATOM 0 HE1 PHE D 101 13.900 17.455 26.995 1.00 14.83 H new ATOM 0 HE2 PHE D 101 15.175 19.699 23.897 1.00 14.75 H new ATOM 0 HZ PHE D 101 13.936 17.886 24.715 1.00 15.91 H new ATOM 4132 N VAL D 102 17.138 22.691 30.917 1.00 10.18 N ATOM 4133 CA VAL D 102 18.285 23.265 31.645 1.00 10.24 C ATOM 4134 C VAL D 102 19.353 22.204 31.663 1.00 9.98 C ATOM 4135 O VAL D 102 19.065 21.072 32.031 1.00 11.97 O ATOM 4136 CB VAL D 102 17.878 23.672 33.077 1.00 10.21 C ATOM 4137 CG1 VAL D 102 19.085 24.182 33.839 1.00 11.31 C ATOM 4138 CG2 VAL D 102 16.795 24.731 33.030 1.00 12.46 C ATOM 0 H VAL D 102 16.528 22.351 31.419 1.00 10.18 H new ATOM 0 HA VAL D 102 18.607 24.071 31.212 1.00 10.24 H new ATOM 0 HB VAL D 102 17.529 22.893 33.538 1.00 10.21 H new ATOM 0 HG11 VAL D 102 18.818 24.435 34.737 1.00 11.31 H new ATOM 0 HG12 VAL D 102 19.757 23.484 33.886 1.00 11.31 H new ATOM 0 HG13 VAL D 102 19.454 24.954 33.382 1.00 11.31 H new ATOM 0 HG21 VAL D 102 16.546 24.980 33.934 1.00 12.46 H new ATOM 0 HG22 VAL D 102 17.126 25.512 32.559 1.00 12.46 H new ATOM 0 HG23 VAL D 102 16.019 24.380 32.567 1.00 12.46 H new ATOM 4139 N THR D 103 20.541 22.500 31.192 1.00 10.33 N ATOM 4140 CA THR D 103 21.576 21.467 31.060 1.00 10.32 C ATOM 4141 C THR D 103 22.608 21.534 32.181 1.00 13.18 C ATOM 4142 O THR D 103 22.693 22.518 32.929 1.00 14.29 O ATOM 4143 CB THR D 103 22.236 21.500 29.660 1.00 10.29 C ATOM 4144 OG1 THR D 103 22.871 22.776 29.474 1.00 10.85 O ATOM 4145 CG2 THR D 103 21.180 21.228 28.576 1.00 12.06 C ATOM 0 H THR D 103 20.782 23.286 30.940 1.00 10.33 H new ATOM 0 HA THR D 103 21.132 20.609 31.149 1.00 10.32 H new ATOM 0 HB THR D 103 22.911 20.807 29.590 1.00 10.29 H new ATOM 0 HG1 THR D 103 23.591 22.797 29.907 1.00 10.85 H new ATOM 0 HG21 THR D 103 21.600 21.250 27.702 1.00 12.06 H new ATOM 0 HG22 THR D 103 20.784 20.355 28.722 1.00 12.06 H new ATOM 0 HG23 THR D 103 20.489 21.907 28.619 1.00 12.06 H new ATOM 4146 N GLU D 104 23.403 20.481 32.297 1.00 12.13 N ATOM 4147 CA GLU D 104 24.465 20.422 33.287 1.00 14.01 C ATOM 4148 C GLU D 104 25.717 19.916 32.573 1.00 12.86 C ATOM 4149 O GLU D 104 25.666 18.933 31.836 1.00 11.63 O ATOM 4150 CB GLU D 104 24.054 19.515 34.444 1.00 14.98 C ATOM 4151 CG GLU D 104 25.191 19.135 35.409 1.00 20.15 C ATOM 4152 CD GLU D 104 24.731 18.159 36.479 1.00 27.40 C ATOM 4153 OE1 GLU D 104 23.502 17.973 36.626 1.00 33.30 O ATOM 4154 OE2 GLU D 104 25.611 17.616 37.181 1.00 32.82 O ATOM 0 H GLU D 104 23.342 19.780 31.803 1.00 12.13 H new ATOM 0 HA GLU D 104 24.643 21.294 33.672 1.00 14.01 H new ATOM 0 HB2 GLU D 104 23.353 19.956 34.949 1.00 14.98 H new ATOM 0 HB3 GLU D 104 23.672 18.701 34.079 1.00 14.98 H new ATOM 0 HG2 GLU D 104 25.922 18.742 34.907 1.00 20.15 H new ATOM 0 HG3 GLU D 104 25.536 19.937 35.831 1.00 20.15 H new ATOM 4155 N GLU D 105 26.853 20.597 32.764 1.00 15.21 N ATOM 4156 CA GLU D 105 28.128 20.146 32.197 1.00 16.00 C ATOM 4157 C GLU D 105 28.640 18.908 32.901 1.00 16.84 C ATOM 4158 O GLU D 105 28.416 18.710 34.107 1.00 17.99 O ATOM 4159 CB GLU D 105 29.150 21.253 32.327 1.00 17.34 C ATOM 4160 CG GLU D 105 28.698 22.508 31.671 1.00 17.73 C ATOM 4161 CD GLU D 105 28.532 22.396 30.162 1.00 21.07 C ATOM 4162 OE1 GLU D 105 29.147 21.537 29.461 1.00 24.32 O ATOM 4163 OE2 GLU D 105 27.793 23.220 29.633 1.00 19.46 O ATOM 0 H GLU D 105 26.905 21.324 33.220 1.00 15.21 H new ATOM 0 HA GLU D 105 27.984 19.925 31.263 1.00 16.00 H new ATOM 0 HB2 GLU D 105 29.323 21.424 33.266 1.00 17.34 H new ATOM 0 HB3 GLU D 105 29.988 20.966 31.932 1.00 17.34 H new ATOM 0 HG2 GLU D 105 27.852 22.778 32.061 1.00 17.73 H new ATOM 0 HG3 GLU D 105 29.337 23.211 31.865 1.00 17.73 H new ATOM 4164 N LEU D 106 29.333 18.103 32.111 1.00 17.85 N ATOM 4165 CA LEU D 106 29.884 16.817 32.601 1.00 20.49 C ATOM 4166 C LEU D 106 31.404 16.803 32.569 1.00 23.53 C ATOM 4167 O LEU D 106 32.053 16.017 33.284 1.00 23.28 O ATOM 4168 CB LEU D 106 29.352 15.675 31.738 1.00 19.71 C ATOM 4169 CG LEU D 106 27.863 15.389 31.883 1.00 20.40 C ATOM 4170 CD1 LEU D 106 27.400 14.421 30.793 1.00 20.35 C ATOM 4171 CD2 LEU D 106 27.583 14.789 33.291 1.00 25.89 C ATOM 0 H LEU D 106 29.503 18.271 31.285 1.00 17.85 H new ATOM 0 HA LEU D 106 29.603 16.706 33.523 1.00 20.49 H new ATOM 0 HB2 LEU D 106 29.538 15.878 30.808 1.00 19.71 H new ATOM 0 HB3 LEU D 106 29.844 14.868 31.956 1.00 19.71 H new ATOM 0 HG LEU D 106 27.369 16.218 31.786 1.00 20.40 H new ATOM 0 HD11 LEU D 106 26.451 14.247 30.896 1.00 20.35 H new ATOM 0 HD12 LEU D 106 27.564 14.813 29.921 1.00 20.35 H new ATOM 0 HD13 LEU D 106 27.891 13.588 30.870 1.00 20.35 H new ATOM 0 HD21 LEU D 106 26.635 14.607 33.383 1.00 25.89 H new ATOM 0 HD22 LEU D 106 28.082 13.964 33.396 1.00 25.89 H new ATOM 0 HD23 LEU D 106 27.858 15.422 33.973 1.00 25.89 H new ATOM 4172 N VAL D 107 31.971 17.684 31.754 1.00 24.75 N ATOM 4173 CA VAL D 107 33.366 17.683 31.435 1.00 27.86 C ATOM 4174 C VAL D 107 33.834 19.124 31.468 1.00 28.91 C ATOM 4175 O VAL D 107 35.013 19.431 31.610 1.00 30.77 O ATOM 4176 CB VAL D 107 33.482 17.050 30.027 1.00 28.74 C ATOM 4177 CG1 VAL D 107 34.270 17.910 29.046 1.00 31.50 C ATOM 4178 CG2 VAL D 107 33.927 15.593 30.146 1.00 31.03 C ATOM 4179 OXT VAL D 107 33.013 20.041 31.355 1.00 31.00 O ATOM 0 H VAL D 107 31.531 18.313 31.366 1.00 24.75 H new ATOM 0 HA VAL D 107 33.916 17.178 32.054 1.00 27.86 H new ATOM 0 HB VAL D 107 32.604 17.026 29.615 1.00 28.74 H new ATOM 0 HG11 VAL D 107 34.310 17.465 28.185 1.00 31.50 H new ATOM 0 HG12 VAL D 107 33.833 18.770 28.945 1.00 31.50 H new ATOM 0 HG13 VAL D 107 35.170 18.043 29.382 1.00 31.50 H new ATOM 0 HG21 VAL D 107 33.998 15.203 29.261 1.00 31.03 H new ATOM 0 HG22 VAL D 107 34.790 15.553 30.586 1.00 31.03 H new ATOM 0 HG23 VAL D 107 33.276 15.097 30.667 1.00 31.03 H new TER 4180 VAL D 107 HETATM 4181 CAA 3ML A 201 27.170 11.294 16.778 1.00 19.58 C HETATM 4182 CAI 3ML A 201 26.955 11.096 18.270 1.00 16.92 C HETATM 4183 CAE 3ML A 201 26.574 11.979 19.187 1.00 18.34 C HETATM 4184 CAJ 3ML A 201 26.538 11.310 20.387 1.00 19.06 C HETATM 4185 OAC 3ML A 201 26.187 11.778 21.472 1.00 18.50 O HETATM 4186 OAG 3ML A 201 26.955 10.009 20.315 1.00 17.38 O HETATM 4187 CAK 3ML A 201 27.246 9.740 18.884 1.00 19.01 C HETATM 4188 CAF 3ML A 201 26.175 8.722 18.383 1.00 20.78 C HETATM 4189 CAH 3ML A 201 26.374 7.273 18.887 1.00 19.60 C HETATM 4190 OAD 3ML A 201 25.549 6.399 18.462 1.00 28.58 O HETATM 4191 OAB 3ML A 201 27.372 7.051 19.578 1.00 19.27 O HETATM 0 HAFA 3ML A 201 25.298 9.031 18.661 1.00 20.78 H new HETATM 0 HAAB 3ML A 201 26.342 11.589 16.368 1.00 19.58 H new HETATM 0 HAAA 3ML A 201 27.857 11.964 16.636 1.00 19.58 H new HETATM 0 HAK 3ML A 201 28.130 9.392 18.688 1.00 19.01 H new HETATM 0 HAF 3ML A 201 26.180 8.717 17.413 1.00 20.78 H new HETATM 0 HAE 3ML A 201 26.362 12.914 19.038 1.00 18.34 H new HETATM 0 HAA 3ML A 201 27.449 10.456 16.377 1.00 19.58 H new HETATM 4192 CAA 3ML B 201 -10.331 13.160 20.487 1.00 18.44 C HETATM 4193 CAI 3ML B 201 -10.114 13.373 18.991 1.00 16.65 C HETATM 4194 CAE 3ML B 201 -10.986 13.774 18.082 1.00 17.71 C HETATM 4195 CAJ 3ML B 201 -10.380 13.748 16.868 1.00 14.91 C HETATM 4196 OAC 3ML B 201 -10.890 14.058 15.797 1.00 15.27 O HETATM 4197 OAG 3ML B 201 -9.112 13.327 16.911 1.00 14.84 O HETATM 4198 CAK 3ML B 201 -8.805 13.028 18.326 1.00 16.01 C HETATM 4199 CAF 3ML B 201 -7.689 13.978 18.811 1.00 19.70 C HETATM 4200 CAH 3ML B 201 -6.300 13.616 18.275 1.00 19.01 C HETATM 4201 OAD 3ML B 201 -5.359 14.345 18.672 1.00 23.23 O HETATM 4202 OAB 3ML B 201 -6.206 12.642 17.523 1.00 17.32 O HETATM 0 HAFA 3ML B 201 -7.906 14.884 18.541 1.00 19.70 H new HETATM 0 HAAB 3ML B 201 -10.610 13.994 20.896 1.00 18.44 H new HETATM 0 HAAA 3ML B 201 -11.018 12.488 20.622 1.00 18.44 H new HETATM 0 HAK 3ML B 201 -8.500 12.124 18.501 1.00 16.01 H new HETATM 0 HAF 3ML B 201 -7.666 13.969 19.781 1.00 19.70 H new HETATM 0 HAE 3ML B 201 -11.903 14.041 18.253 1.00 17.71 H new HETATM 0 HAA 3ML B 201 -9.503 12.862 20.895 1.00 18.44 H new HETATM 4203 CAA 3ML C 201 -30.855 26.756 11.041 1.00 16.09 C HETATM 4204 CAI 3ML C 201 -30.833 26.993 12.553 1.00 12.01 C HETATM 4205 CAE 3ML C 201 -30.020 26.404 13.461 1.00 16.11 C HETATM 4206 CAJ 3ML C 201 -30.338 26.908 14.661 1.00 14.37 C HETATM 4207 OAC 3ML C 201 -29.779 26.611 15.745 1.00 14.89 O HETATM 4208 OAG 3ML C 201 -31.310 27.844 14.607 1.00 13.51 O HETATM 4209 CAK 3ML C 201 -31.710 27.966 13.174 1.00 14.12 C HETATM 4210 CAF 3ML C 201 -31.362 29.436 12.766 1.00 16.53 C HETATM 4211 CAH 3ML C 201 -32.320 30.472 13.338 1.00 16.41 C HETATM 4212 OAD 3ML C 201 -32.127 31.638 12.976 1.00 21.11 O HETATM 4213 OAB 3ML C 201 -33.159 30.108 14.067 1.00 16.17 O HETATM 0 HAFA 3ML C 201 -30.461 29.641 13.063 1.00 16.53 H new HETATM 0 HAAB 3ML C 201 -29.990 26.982 10.665 1.00 16.09 H new HETATM 0 HAAA 3ML C 201 -31.050 25.823 10.862 1.00 16.09 H new HETATM 0 HAK 3ML C 201 -32.639 27.808 12.944 1.00 14.12 H new HETATM 0 HAF 3ML C 201 -31.364 29.504 11.798 1.00 16.53 H new HETATM 0 HAE 3ML C 201 -29.336 25.741 13.277 1.00 16.11 H new HETATM 0 HAA 3ML C 201 -31.539 27.312 10.636 1.00 16.09 H new HETATM 4214 CAA 3ML D 201 14.436 32.084 26.376 1.00 17.51 C HETATM 4215 CAI 3ML D 201 14.151 31.981 24.889 1.00 14.20 C HETATM 4216 CAE 3ML D 201 14.693 31.162 23.970 1.00 14.66 C HETATM 4217 CAJ 3ML D 201 14.114 31.493 22.784 1.00 13.93 C HETATM 4218 OAC 3ML D 201 14.424 31.006 21.680 1.00 16.58 O HETATM 4219 OAG 3ML D 201 13.211 32.508 22.876 1.00 13.92 O HETATM 4220 CAK 3ML D 201 13.167 32.903 24.293 1.00 14.39 C HETATM 4221 CAF 3ML D 201 11.743 32.610 24.809 1.00 16.40 C HETATM 4222 CAH 3ML D 201 10.662 33.543 24.252 1.00 17.96 C HETATM 4223 OAD 3ML D 201 9.480 33.268 24.563 1.00 23.34 O HETATM 4224 OAB 3ML D 201 10.944 34.429 23.502 1.00 14.77 O HETATM 0 HAFA 3ML D 201 11.512 31.695 24.585 1.00 16.40 H new HETATM 0 HAAB 3ML D 201 14.242 31.235 26.802 1.00 17.51 H new HETATM 0 HAAA 3ML D 201 15.370 32.307 26.512 1.00 17.51 H new HETATM 0 HAK 3ML D 201 13.361 33.834 24.485 1.00 14.39 H new HETATM 0 HAF 3ML D 201 11.742 32.674 25.777 1.00 16.40 H new HETATM 0 HAE 3ML D 201 15.361 30.475 24.122 1.00 14.66 H new HETATM 0 HAA 3ML D 201 13.879 32.776 26.765 1.00 17.51 H new HETATM 4225 O HOH A 108 25.892 21.143 22.831 1.00 10.85 O HETATM 4226 O HOH A 109 35.638 18.170 21.493 1.00 13.48 O HETATM 4227 O HOH A 110 38.758 15.220 16.634 1.00 20.99 O HETATM 4228 O HOH A 111 35.034 25.387 8.923 1.00 13.03 O HETATM 4229 O HOH A 112 29.767 18.843 29.429 1.00 15.86 O HETATM 4230 O HOH A 113 29.430 26.856 18.036 1.00 14.41 O HETATM 4231 O HOH A 114 24.664 20.706 7.118 1.00 32.18 O HETATM 4232 O HOH A 115 22.401 3.359 40.954 1.00 18.04 O HETATM 4233 O HOH A 116 37.885 20.056 4.040 1.00 19.97 O HETATM 4234 O HOH A 117 25.716 19.121 24.703 1.00 10.91 O HETATM 4235 O HOH A 118 13.025 15.966 28.960 1.00 23.20 O HETATM 4236 O HOH A 119 32.721 27.126 9.312 1.00 17.42 O HETATM 4237 O HOH A 120 17.826 1.479 36.526 1.00 27.58 O HETATM 4238 O HOH A 121 33.134 7.978 33.603 1.00 23.18 O HETATM 4239 O HOH A 122 37.734 18.586 19.695 1.00 17.00 O HETATM 4240 O HOH A 123 27.446 8.852 38.480 1.00 27.40 O HETATM 4241 O HOH A 124 22.728 -1.177 27.855 1.00 30.40 O HETATM 4242 O HOH A 125 39.435 9.206 18.707 1.00 36.19 O HETATM 4243 O HOH A 126 17.020 12.708 33.249 1.00 25.54 O HETATM 4244 O HOH A 127 36.764 15.604 21.679 1.00 20.37 O HETATM 4245 O HOH A 128 40.237 11.369 26.229 1.00 29.82 O HETATM 4246 O HOH A 129 20.630 10.740 33.748 1.00 30.48 O HETATM 4247 O HOH A 130 16.129 16.156 34.783 1.00 41.53 O HETATM 4248 O HOH A 131 32.906 22.098 3.104 1.00 18.15 O HETATM 4249 O HOH A 132 37.275 23.096 3.853 1.00 15.43 O HETATM 4250 O HOH A 133 21.528 -0.870 30.536 1.00 27.12 O HETATM 4251 O HOH A 134 2.996 26.585 29.031 1.00 35.30 O HETATM 4252 O HOH A 135 27.167 11.977 13.705 1.00 25.89 O HETATM 4253 O HOH A 136 20.640 -4.692 32.485 1.00 27.25 O HETATM 4254 O HOH A 137 41.434 15.647 16.508 1.00 30.00 O HETATM 4255 O HOH A 138 23.816 10.953 13.223 1.00 40.29 O HETATM 4256 O HOH A 139 24.562 26.444 8.392 1.00 21.40 O HETATM 4257 O HOH A 140 34.070 0.694 21.622 1.00 34.06 O HETATM 4258 O HOH A 141 32.019 0.434 26.968 1.00 47.60 O HETATM 4259 O HOH A 142 38.674 16.086 23.665 1.00 27.71 O HETATM 4260 O HOH A 148 20.573 -1.498 26.478 1.00 33.35 O HETATM 4261 O HOH A 149 42.171 5.753 7.217 1.00 43.01 O HETATM 4262 O HOH A 163 29.595 1.221 15.433 1.00 36.36 O HETATM 4263 O HOH A 168 22.489 10.937 35.147 1.00 32.41 O HETATM 4264 O HOH A 170 9.288 9.879 28.527 1.00 31.31 O HETATM 4265 O HOH A 172 16.830 24.669 6.773 1.00 40.59 O HETATM 4266 O HOH A 173 30.242 3.288 33.919 1.00 33.67 O HETATM 4267 O HOH A 175 35.157 27.310 21.020 1.00 33.57 O HETATM 4268 O HOH A 178 20.971 1.295 22.350 1.00 32.23 O HETATM 4269 O HOH A 190 15.329 5.317 30.590 1.00 26.90 O HETATM 4270 O HOH A 191 23.863 -1.487 32.676 1.00 30.87 O HETATM 4271 O HOH A 210 28.594 31.705 14.269 1.00 25.01 O HETATM 4272 O HOH A 214 13.470 17.494 35.571 1.00 35.77 O HETATM 4273 O HOH A 218 39.858 18.005 4.982 1.00 19.54 O HETATM 4274 O HOH A 219 35.417 22.245 2.037 1.00 10.37 O HETATM 4275 O HOH A 221 36.070 18.892 11.414 1.00 9.38 O HETATM 4276 O HOH A 231 38.376 7.832 7.779 1.00 29.10 O HETATM 4277 O HOH A 242 20.123 -2.853 34.585 1.00 18.48 O HETATM 4278 O HOH A 249 19.635 13.464 32.937 1.00 20.87 O HETATM 4279 O HOH A 256 33.340 20.176 24.081 1.00 23.74 O HETATM 4280 O HOH A 260 36.316 5.434 19.435 1.00 38.41 O HETATM 4281 O HOH A 261 24.848 21.765 9.779 1.00 19.23 O HETATM 4282 O HOH A 264 31.225 17.618 26.804 1.00 24.20 O HETATM 4283 O HOH A 268 24.732 10.452 39.531 1.00 42.04 O HETATM 4284 O HOH A 275 38.131 6.953 20.083 1.00 33.51 O HETATM 4285 O HOH A 276 40.696 15.166 11.153 1.00 28.62 O HETATM 4286 O HOH A 279 37.054 13.335 2.792 1.00 23.71 O HETATM 4287 O HOH A 281 29.513 25.078 23.246 1.00 23.87 O HETATM 4288 O HOH A 282 37.460 10.547 3.467 1.00 35.25 O HETATM 4289 O HOH A 283 23.138 0.840 35.875 1.00 18.86 O HETATM 4290 O HOH A 287 38.905 12.792 27.673 1.00 44.92 O HETATM 4291 O HOH A 290 14.883 15.017 31.870 1.00 25.77 O HETATM 4292 O HOH A 304 35.832 19.916 23.463 1.00 26.04 O HETATM 4293 O HOH A 307 10.928 30.022 29.043 1.00 39.78 O HETATM 4294 O HOH A 317 22.527 22.483 7.416 1.00 31.06 O HETATM 4295 O HOH A 323 34.968 24.713 22.691 1.00 42.91 O HETATM 4296 O HOH A 325 23.463 6.951 42.934 1.00 25.82 O HETATM 4297 O HOH A 328 18.675 -1.788 27.826 1.00 39.18 O HETATM 4298 O HOH A 330 37.856 17.913 -1.710 1.00 27.27 O HETATM 4299 O HOH A 336 6.352 36.119 29.053 1.00 29.50 O HETATM 4300 O HOH A 341 27.965 -2.059 22.408 1.00 35.69 O HETATM 4301 O HOH A 342 18.881 -4.486 30.176 1.00 33.05 O HETATM 4302 O HOH A 345 30.507 -0.387 25.538 1.00 38.27 O HETATM 4303 O HOH A 348 32.124 1.978 29.305 1.00 42.11 O HETATM 4304 O HOH A 356 40.699 7.762 9.115 1.00 49.03 O HETATM 4305 O HOH A 358 20.791 23.985 5.312 1.00 45.80 O HETATM 4306 O HOH A 362 32.709 0.419 24.436 1.00 40.08 O HETATM 4307 O HOH A 364 38.371 15.798 19.419 1.00 22.75 O HETATM 4308 O HOH A 374 35.548 14.189 0.801 1.00 35.84 O HETATM 4309 O HOH A 375 40.054 9.442 22.850 1.00 32.65 O HETATM 4310 O HOH A 385 26.332 10.963 11.499 1.00 37.12 O HETATM 4311 O HOH A 386 39.371 3.858 9.661 1.00 36.31 O HETATM 4312 O HOH A 392 20.044 14.792 35.367 1.00 43.19 O HETATM 4313 O HOH A 395 38.489 8.434 5.156 1.00 48.48 O HETATM 4314 O HOH A 400 42.876 13.109 14.943 1.00 38.93 O HETATM 4315 O HOH A 404 19.279 -0.825 21.161 1.00 38.52 O HETATM 4316 O HOH A 405 32.647 29.662 7.684 1.00 35.12 O HETATM 4317 O HOH A 409 35.584 8.266 32.715 1.00 30.81 O HETATM 4318 O HOH A 410 12.726 19.762 36.278 1.00 38.31 O HETATM 4319 O HOH A 428 30.244 29.529 18.153 1.00 31.33 O HETATM 4320 O HOH A 436 10.407 15.989 31.270 1.00 43.39 O HETATM 4321 O HOH A 442 0.582 29.711 26.597 1.00 46.59 O HETATM 4322 O HOH A 443 14.052 8.185 35.155 1.00 51.02 O HETATM 4323 O HOH A 444 31.017 26.106 20.520 1.00 30.57 O HETATM 4324 O HOH A 451 32.617 9.824 35.537 1.00 34.07 O HETATM 4325 O HOH A 453 28.073 24.736 7.531 1.00 32.86 O HETATM 4326 O HOH A 471 26.488 31.208 13.098 1.00 28.67 O HETATM 4327 O HOH A 474 24.479 33.088 16.410 1.00 28.53 O HETATM 4328 O HOH A 481 37.637 24.563 19.541 1.00 36.99 O HETATM 4329 O HOH A 482 26.397 35.136 15.731 1.00 36.39 O HETATM 4330 O HOH A 483 25.797 24.026 8.338 1.00 34.81 O HETATM 4331 O HOH A 485 17.221 -1.088 29.013 1.00 27.11 O HETATM 4332 O HOH A 486 16.561 12.318 35.964 1.00 48.96 O HETATM 4333 O HOH A 487 10.311 9.195 32.956 1.00 35.23 O HETATM 4334 O HOH A 488 31.255 14.971 35.507 1.00 38.69 O HETATM 4335 O HOH A 495 37.507 6.712 28.687 1.00 43.91 O HETATM 4336 O HOH A 496 38.877 7.150 26.060 1.00 43.39 O HETATM 4337 O HOH A 497 40.743 15.855 21.832 1.00 38.85 O HETATM 4338 O HOH A 498 14.255 23.778 36.119 1.00 39.94 O HETATM 4339 O HOH A 501 11.911 9.365 27.671 1.00 32.77 O HETATM 4340 O HOH A 502 31.892 25.391 7.856 1.00 36.89 O HETATM 4341 O HOH A 503 26.734 27.997 8.159 1.00 33.77 O HETATM 4342 O HOH A 504 39.712 5.680 11.535 1.00 45.64 O HETATM 4343 O HOH A 505 23.180 -4.595 31.038 1.00 36.58 O HETATM 4344 O HOH A 507 20.792 36.657 8.949 1.00 32.43 O HETATM 4345 O HOH A 542 19.181 36.536 7.293 1.00 42.58 O HETATM 4346 O HOH B 108 -15.804 -0.593 15.091 1.00 37.57 O HETATM 4347 O HOH B 109 -18.455 14.918 12.550 1.00 9.76 O HETATM 4348 O HOH B 110 -20.418 14.744 14.446 1.00 9.77 O HETATM 4349 O HOH B 111 -13.738 25.749 5.573 1.00 16.89 O HETATM 4350 O HOH B 112 -28.836 10.509 19.030 1.00 31.87 O HETATM 4351 O HOH B 113 -14.676 27.635 8.511 1.00 14.69 O HETATM 4352 O HOH B 114 -0.127 18.417 14.707 1.00 21.91 O HETATM 4353 O HOH B 115 -26.183 11.328 19.111 1.00 13.38 O HETATM 4354 O HOH B 116 -13.055 28.914 25.322 1.00 26.51 O HETATM 4355 O HOH B 117 -17.810 4.942 15.696 1.00 14.42 O HETATM 4356 O HOH B 118 -18.052 2.764 17.580 1.00 19.61 O HETATM 4357 O HOH B 119 -7.906 7.440 3.378 1.00 19.16 O HETATM 4358 O HOH B 120 -10.931 16.535 24.644 1.00 35.43 O HETATM 4359 O HOH B 121 -8.283 30.791 9.207 1.00 23.97 O HETATM 4360 O HOH B 122 -19.505 7.679 10.481 1.00 27.37 O HETATM 4361 O HOH B 123 -15.437 31.244 9.807 1.00 17.80 O HETATM 4362 O HOH B 124 -24.772 5.994 28.409 1.00 17.43 O HETATM 4363 O HOH B 125 -3.067 27.382 6.308 1.00 27.43 O HETATM 4364 O HOH B 126 -15.270 3.805 15.448 1.00 20.20 O HETATM 4365 O HOH B 127 -12.638 3.495 34.224 1.00 20.45 O HETATM 4366 O HOH B 128 -17.024 9.501 10.322 1.00 18.78 O HETATM 4367 O HOH B 129 -11.298 12.862 23.418 1.00 27.26 O HETATM 4368 O HOH B 130 -21.177 8.401 34.022 1.00 21.15 O HETATM 4369 O HOH B 131 -23.745 39.206 9.202 1.00 28.97 O HETATM 4370 O HOH B 132 0.385 10.989 -0.051 1.00 21.18 O HETATM 4371 O HOH B 133 -12.708 21.258 4.443 1.00 15.81 O HETATM 4372 O HOH B 134 -16.576 4.152 39.192 1.00 23.36 O HETATM 4373 O HOH B 135 -15.024 -0.206 26.282 1.00 23.01 O HETATM 4374 O HOH B 136 -34.730 34.696 8.530 1.00 28.10 O HETATM 4375 O HOH B 137 2.574 28.169 3.322 1.00 29.70 O HETATM 4376 O HOH B 138 -10.052 17.999 2.475 1.00 25.77 O HETATM 4377 O HOH B 139 -15.945 33.645 6.460 1.00 35.52 O HETATM 4378 O HOH B 140 -8.384 7.485 -0.932 1.00 34.56 O HETATM 4379 O HOH B 141 -8.944 0.478 18.339 1.00 30.52 O HETATM 4380 O HOH B 142 -8.401 13.136 -1.034 1.00 21.85 O HETATM 4381 O HOH B 144 0.552 8.976 1.946 1.00 36.37 O HETATM 4382 O HOH B 153 -21.579 18.321 29.951 1.00 32.80 O HETATM 4383 O HOH B 154 -14.706 7.604 36.452 1.00 31.03 O HETATM 4384 O HOH B 155 -18.011 2.036 12.098 1.00 35.13 O HETATM 4385 O HOH B 156 -3.012 8.061 -1.092 1.00 31.10 O HETATM 4386 O HOH B 159 -23.527 23.933 30.551 1.00 44.14 O HETATM 4387 O HOH B 162 -14.922 24.327 2.572 1.00 34.52 O HETATM 4388 O HOH B 164 -13.451 28.581 5.408 1.00 25.21 O HETATM 4389 O HOH B 166 -11.426 31.447 5.132 1.00 55.12 O HETATM 4390 O HOH B 167 -9.423 14.474 29.817 1.00 34.28 O HETATM 4391 O HOH B 169 -10.213 11.182 0.233 1.00 34.84 O HETATM 4392 O HOH B 174 -3.324 7.971 3.708 1.00 25.57 O HETATM 4393 O HOH B 180 -7.917 28.378 10.321 1.00 29.79 O HETATM 4394 O HOH B 185 -15.334 -0.967 20.803 1.00 25.30 O HETATM 4395 O HOH B 187 -15.119 14.028 30.220 1.00 45.48 O HETATM 4396 O HOH B 195 -24.437 2.846 18.038 1.00 26.54 O HETATM 4397 O HOH B 197 0.432 29.750 6.380 1.00 31.65 O HETATM 4398 O HOH B 204 -3.954 29.880 14.690 1.00 32.86 O HETATM 4399 O HOH B 209 -31.390 12.263 23.215 1.00 21.48 O HETATM 4400 O HOH B 215 -18.479 4.543 25.816 1.00 9.08 O HETATM 4401 O HOH B 217 -17.814 1.135 32.624 1.00 13.52 O HETATM 4402 O HOH B 220 -3.497 13.220 -1.157 1.00 14.70 O HETATM 4403 O HOH B 222 -19.719 3.029 33.677 1.00 13.29 O HETATM 4404 O HOH B 224 -21.352 5.973 35.376 1.00 15.57 O HETATM 4405 O HOH B 225 -14.912 1.800 20.425 1.00 16.62 O HETATM 4406 O HOH B 227 -18.315 11.001 7.793 1.00 13.63 O HETATM 4407 O HOH B 228 -7.707 1.682 29.332 1.00 24.73 O HETATM 4408 O HOH B 230 0.291 21.487 14.478 1.00 30.85 O HETATM 4409 O HOH B 235 -3.971 15.736 -7.208 1.00 13.45 O HETATM 4410 O HOH B 239 -3.850 24.751 7.181 1.00 17.69 O HETATM 4411 O HOH B 241 -10.007 13.615 25.441 1.00 32.69 O HETATM 4412 O HOH B 243 -36.545 15.823 27.258 1.00 38.38 O HETATM 4413 O HOH B 246 -11.811 23.921 4.436 1.00 15.38 O HETATM 4414 O HOH B 247 -13.568 1.061 34.923 1.00 31.69 O HETATM 4415 O HOH B 250 -21.089 15.783 27.561 1.00 28.27 O HETATM 4416 O HOH B 257 -1.712 7.852 7.324 1.00 30.41 O HETATM 4417 O HOH B 259 -19.734 7.480 13.152 1.00 22.33 O HETATM 4418 O HOH B 269 -17.104 31.876 3.996 1.00 40.06 O HETATM 4419 O HOH B 271 -24.433 11.334 13.902 1.00 25.41 O HETATM 4420 O HOH B 286 -6.793 1.992 16.754 1.00 32.59 O HETATM 4421 O HOH B 291 -26.927 5.684 16.298 1.00 37.93 O HETATM 4422 O HOH B 295 -9.740 8.233 1.424 1.00 25.92 O HETATM 4423 O HOH B 299 -19.713 4.763 13.862 1.00 22.72 O HETATM 4424 O HOH B 301 -9.947 2.953 33.791 1.00 33.40 O HETATM 4425 O HOH B 309 -26.668 8.223 27.946 1.00 21.18 O HETATM 4426 O HOH B 310 -12.979 -1.394 27.559 1.00 31.65 O HETATM 4427 O HOH B 311 -5.528 6.870 2.514 1.00 27.32 O HETATM 4428 O HOH B 312 -15.895 1.895 13.582 1.00 27.48 O HETATM 4429 O HOH B 314 0.391 23.523 2.361 1.00 22.12 O HETATM 4430 O HOH B 315 -10.108 20.367 4.012 1.00 26.40 O HETATM 4431 O HOH B 329 -8.036 32.715 11.364 1.00 41.41 O HETATM 4432 O HOH B 333 -19.055 28.159 1.011 1.00 28.77 O HETATM 4433 O HOH B 340 -12.793 5.281 36.392 1.00 26.24 O HETATM 4434 O HOH B 346 -13.856 3.906 38.547 1.00 35.66 O HETATM 4435 O HOH B 349 -9.086 0.342 14.362 1.00 43.87 O HETATM 4436 O HOH B 350 -8.443 1.431 31.958 1.00 30.03 O HETATM 4437 O HOH B 352 -1.938 8.641 1.430 1.00 26.86 O HETATM 4438 O HOH B 353 -7.076 26.557 2.542 1.00 29.06 O HETATM 4439 O HOH B 359 -25.660 16.169 28.933 1.00 17.77 O HETATM 4440 O HOH B 360 -11.871 6.410 1.408 1.00 34.06 O HETATM 4441 O HOH B 361 -20.021 3.474 11.621 1.00 38.55 O HETATM 4442 O HOH B 363 -5.368 6.594 -0.082 1.00 31.67 O HETATM 4443 O HOH B 371 -16.256 26.562 1.725 1.00 29.49 O HETATM 4444 O HOH B 373 -12.871 32.202 7.335 1.00 36.41 O HETATM 4445 O HOH B 377 -19.610 4.947 9.391 1.00 36.52 O HETATM 4446 O HOH B 379 -25.546 9.481 17.118 1.00 32.82 O HETATM 4447 O HOH B 383 -17.416 37.567 13.318 1.00 29.90 O HETATM 4448 O HOH B 384 -15.446 1.889 17.699 1.00 20.94 O HETATM 4449 O HOH B 387 -9.699 29.473 12.794 1.00 43.78 O HETATM 4450 O HOH B 389 -23.056 38.018 6.764 1.00 40.54 O HETATM 4451 O HOH B 390 -19.693 15.714 30.156 1.00 30.63 O HETATM 4452 O HOH B 402 -27.340 14.035 28.855 1.00 24.90 O HETATM 4453 O HOH B 407 -5.676 3.900 17.124 1.00 27.63 O HETATM 4454 O HOH B 411 -10.386 34.841 11.630 1.00 49.49 O HETATM 4455 O HOH B 414 -8.339 4.763 3.987 1.00 27.83 O HETATM 4456 O HOH B 416 -1.656 26.242 4.364 1.00 26.68 O HETATM 4457 O HOH B 418 -12.940 15.155 32.460 1.00 51.35 O HETATM 4458 O HOH B 422 1.440 18.540 16.921 1.00 31.69 O HETATM 4459 O HOH B 424 -11.429 0.109 10.881 1.00 28.11 O HETATM 4460 O HOH B 426 -0.227 5.655 15.361 1.00 29.85 O HETATM 4461 O HOH B 432 -13.876 2.572 12.105 1.00 37.71 O HETATM 4462 O HOH B 438 -7.152 30.050 4.835 1.00 32.65 O HETATM 4463 O HOH B 441 -28.580 8.418 29.811 1.00 30.34 O HETATM 4464 O HOH B 449 -37.647 16.617 24.625 1.00 43.75 O HETATM 4465 O HOH B 452 -13.284 17.251 29.846 1.00 46.58 O HETATM 4466 O HOH B 454 0.256 9.991 4.624 1.00 40.73 O HETATM 4467 O HOH B 455 -14.523 9.696 1.499 1.00 28.01 O HETATM 4468 O HOH B 456 -4.200 6.362 26.056 1.00 37.01 O HETATM 4469 O HOH B 457 -5.611 -0.073 25.659 1.00 50.55 O HETATM 4470 O HOH B 458 -22.942 19.533 31.588 1.00 44.24 O HETATM 4471 O HOH B 459 -22.611 15.661 26.197 1.00 18.48 O HETATM 4472 O HOH B 461 -30.351 14.396 24.296 1.00 20.72 O HETATM 4473 O HOH B 464 -32.368 16.544 20.999 1.00 18.49 O HETATM 4474 O HOH B 465 -34.324 14.816 21.359 1.00 31.02 O HETATM 4475 O HOH B 508 -32.024 12.707 20.874 1.00 33.66 O HETATM 4476 O HOH B 509 -23.253 14.876 28.777 1.00 22.63 O HETATM 4477 O HOH B 510 -24.025 12.451 29.811 1.00 37.40 O HETATM 4478 O HOH B 511 -31.064 9.019 29.450 1.00 54.58 O HETATM 4479 O HOH B 514 -2.872 14.109 18.428 1.00 30.00 O HETATM 4480 O HOH B 517 -9.804 15.913 -1.977 1.00 30.74 O HETATM 4481 O HOH B 518 -7.390 1.259 10.654 1.00 35.73 O HETATM 4482 O HOH B 519 -13.619 1.944 9.119 1.00 45.55 O HETATM 4483 O HOH B 520 -13.131 17.273 -0.486 1.00 37.94 O HETATM 4484 O HOH B 521 -22.667 26.022 1.371 1.00 41.20 O HETATM 4485 O HOH B 522 -21.304 23.146 0.359 1.00 45.27 O HETATM 4486 O HOH B 523 -22.002 20.854 0.095 1.00 40.72 O HETATM 4487 O HOH B 526 -29.635 30.237 3.135 1.00 41.00 O HETATM 4488 O HOH B 527 -0.248 9.954 21.857 1.00 33.12 O HETATM 4489 O HOH B 528 1.771 4.788 17.863 1.00 41.36 O HETATM 4490 O HOH B 529 0.395 4.251 22.487 1.00 43.80 O HETATM 4491 O HOH B 530 -0.302 6.670 11.784 1.00 34.56 O HETATM 4492 O HOH B 531 2.785 11.650 14.132 1.00 36.09 O HETATM 4493 O HOH B 535 -35.690 19.965 28.583 1.00 30.22 O HETATM 4494 O HOH B 536 -36.774 22.196 30.063 1.00 35.87 O HETATM 4495 O HOH B 537 -38.509 19.190 24.339 1.00 41.08 O HETATM 4496 O HOH B 546 -28.771 29.986 8.678 1.00 40.55 O HETATM 4497 O HOH C 108 -26.195 20.046 18.910 1.00 9.79 O HETATM 4498 O HOH C 109 -20.218 18.219 -0.236 1.00 38.26 O HETATM 4499 O HOH C 110 -43.690 33.070 8.770 1.00 24.32 O HETATM 4500 O HOH C 111 -11.748 24.149 24.369 1.00 14.34 O HETATM 4501 O HOH C 112 -39.293 17.744 11.025 1.00 20.09 O HETATM 4502 O HOH C 113 -20.117 29.823 7.310 1.00 14.30 O HETATM 4503 O HOH C 114 -42.667 24.650 2.678 1.00 11.00 O HETATM 4504 O HOH C 115 -30.437 40.802 20.832 1.00 37.72 O HETATM 4505 O HOH C 116 -22.347 15.581 6.442 1.00 16.75 O HETATM 4506 O HOH C 117 -24.611 18.876 1.366 1.00 28.44 O HETATM 4507 O HOH C 118 -43.902 22.070 18.984 1.00 27.12 O HETATM 4508 O HOH C 119 -18.931 37.172 20.475 1.00 33.83 O HETATM 4509 O HOH C 120 -9.782 29.192 25.664 1.00 33.37 O HETATM 4510 O HOH C 121 -35.614 15.860 5.722 1.00 12.03 O HETATM 4511 O HOH C 122 -33.460 13.138 -3.697 1.00 12.26 O HETATM 4512 O HOH C 123 -27.122 13.437 17.482 1.00 14.03 O HETATM 4513 O HOH C 124 -29.933 38.202 16.973 1.00 19.73 O HETATM 4514 O HOH C 125 -23.752 15.382 15.720 1.00 13.94 O HETATM 4515 O HOH C 126 -30.780 25.615 8.027 1.00 16.45 O HETATM 4516 O HOH C 127 -20.474 37.248 28.162 1.00 36.68 O HETATM 4517 O HOH C 128 -24.345 18.205 3.990 1.00 15.82 O HETATM 4518 O HOH C 129 -37.435 34.799 9.372 1.00 23.47 O HETATM 4519 O HOH C 130 -39.412 31.539 25.341 1.00 42.33 O HETATM 4520 O HOH C 131 -25.385 40.316 17.541 1.00 29.73 O HETATM 4521 O HOH C 132 -16.197 26.331 29.874 1.00 33.33 O HETATM 4522 O HOH C 133 -31.838 37.694 29.958 1.00 21.11 O HETATM 4523 O HOH C 134 -14.981 30.423 6.574 1.00 27.04 O HETATM 4524 O HOH C 135 -39.820 22.563 28.268 1.00 49.53 O HETATM 4525 O HOH C 136 -16.001 34.055 18.787 1.00 33.00 O HETATM 4526 O HOH C 137 -41.488 33.618 15.827 1.00 20.73 O HETATM 4527 O HOH C 138 -23.874 15.516 4.143 1.00 22.70 O HETATM 4528 O HOH C 139 -26.207 39.342 30.154 1.00 25.76 O HETATM 4529 O HOH C 140 -22.881 27.721 27.182 1.00 20.07 O HETATM 4530 O HOH C 141 -3.746 27.710 17.504 1.00 29.43 O HETATM 4531 O HOH C 142 -42.909 30.939 3.318 1.00 26.09 O HETATM 4532 O HOH C 143 -40.186 18.411 21.857 1.00 33.38 O HETATM 4533 O HOH C 144 -17.922 38.354 28.336 1.00 27.03 O HETATM 4534 O HOH C 145 -39.671 25.065 27.172 1.00 25.53 O HETATM 4535 O HOH C 147 -37.067 13.432 6.710 1.00 29.85 O HETATM 4536 O HOH C 150 -1.367 24.831 21.972 1.00 27.55 O HETATM 4537 O HOH C 152 -30.580 29.768 6.082 1.00 30.55 O HETATM 4538 O HOH C 160 -39.184 23.691 -7.480 1.00 26.04 O HETATM 4539 O HOH C 165 -27.680 27.709 7.218 1.00 26.92 O HETATM 4540 O HOH C 171 -38.809 32.834 29.488 1.00 38.26 O HETATM 4541 O HOH C 176 -26.872 25.021 2.042 1.00 52.03 O HETATM 4542 O HOH C 179 -34.113 33.058 32.757 1.00 33.40 O HETATM 4543 O HOH C 184 -24.511 40.287 21.135 1.00 24.00 O HETATM 4544 O HOH C 188 -36.182 25.037 29.966 1.00 25.74 O HETATM 4545 O HOH C 189 -39.020 28.601 28.769 1.00 30.08 O HETATM 4546 O HOH C 193 -19.872 38.446 14.539 1.00 34.88 O HETATM 4547 O HOH C 196 -29.698 34.319 35.325 1.00 29.87 O HETATM 4548 O HOH C 198 -31.837 39.544 24.999 1.00 26.10 O HETATM 4549 O HOH C 199 -42.157 25.682 23.508 1.00 31.77 O HETATM 4550 O HOH C 202 -42.108 23.011 13.325 1.00 16.82 O HETATM 4551 O HOH C 203 -36.856 13.761 -1.063 1.00 29.53 O HETATM 4552 O HOH C 207 -20.807 10.457 9.276 1.00 29.26 O HETATM 4553 O HOH C 208 -41.616 20.003 23.127 1.00 40.49 O HETATM 4554 O HOH C 213 -37.114 38.199 16.577 1.00 32.73 O HETATM 4555 O HOH C 216 -25.579 18.120 17.099 1.00 8.99 O HETATM 4556 O HOH C 226 -12.230 29.064 22.023 1.00 17.52 O HETATM 4557 O HOH C 232 -29.066 39.664 19.432 1.00 37.13 O HETATM 4558 O HOH C 233 -16.019 28.316 23.193 1.00 14.06 O HETATM 4559 O HOH C 236 -26.448 11.670 12.227 1.00 24.44 O HETATM 4560 O HOH C 237 -23.558 37.701 20.337 1.00 19.19 O HETATM 4561 O HOH C 240 -15.580 35.416 22.510 1.00 23.97 O HETATM 4562 O HOH C 251 -22.168 14.193 2.581 1.00 19.53 O HETATM 4563 O HOH C 253 -38.495 27.850 -3.815 1.00 18.38 O HETATM 4564 O HOH C 254 -18.012 28.429 26.041 1.00 18.45 O HETATM 4565 O HOH C 258 -22.576 37.381 23.800 1.00 22.26 O HETATM 4566 O HOH C 262 -34.048 36.788 31.308 1.00 31.64 O HETATM 4567 O HOH C 265 -44.387 22.007 22.059 1.00 34.94 O HETATM 4568 O HOH C 266 -39.056 18.926 19.252 1.00 21.67 O HETATM 4569 O HOH C 270 -31.917 10.615 3.397 1.00 30.90 O HETATM 4570 O HOH C 272 -16.630 36.011 26.940 1.00 30.07 O HETATM 4571 O HOH C 274 -20.198 34.856 29.394 1.00 39.00 O HETATM 4572 O HOH C 278 -37.477 26.474 28.008 1.00 18.38 O HETATM 4573 O HOH C 280 -18.124 34.890 21.768 1.00 29.65 O HETATM 4574 O HOH C 288 -25.087 29.758 27.911 1.00 32.45 O HETATM 4575 O HOH C 294 -32.482 22.178 -2.382 1.00 24.72 O HETATM 4576 O HOH C 297 -25.147 13.170 15.717 1.00 14.64 O HETATM 4577 O HOH C 302 -22.569 37.555 26.402 1.00 23.92 O HETATM 4578 O HOH C 305 -38.674 16.765 18.027 1.00 25.98 O HETATM 4579 O HOH C 306 -27.950 41.693 23.059 1.00 26.16 O HETATM 4580 O HOH C 313 -21.886 18.805 1.647 1.00 27.45 O HETATM 4581 O HOH C 316 -29.880 13.504 19.398 1.00 25.36 O HETATM 4582 O HOH C 318 -32.501 39.319 22.293 1.00 28.47 O HETATM 4583 O HOH C 319 -25.517 46.388 26.332 1.00 29.86 O HETATM 4584 O HOH C 321 -15.508 29.702 26.326 1.00 25.76 O HETATM 4585 O HOH C 322 -27.969 22.662 1.334 1.00 46.61 O HETATM 4586 O HOH C 324 -20.729 38.694 22.238 1.00 34.44 O HETATM 4587 O HOH C 326 -34.703 32.892 6.527 1.00 33.06 O HETATM 4588 O HOH C 332 -30.349 27.096 5.790 1.00 21.31 O HETATM 4589 O HOH C 334 -39.422 32.734 23.534 1.00 34.96 O HETATM 4590 O HOH C 335 -36.387 38.333 6.646 1.00 53.39 O HETATM 4591 O HOH C 338 -13.754 24.375 30.650 1.00 28.52 O HETATM 4592 O HOH C 339 -32.435 21.850 29.781 1.00 41.16 O HETATM 4593 O HOH C 351 -42.092 20.036 20.752 1.00 24.98 O HETATM 4594 O HOH C 354 -31.241 14.424 -2.637 1.00 20.77 O HETATM 4595 O HOH C 355 -39.351 15.412 7.764 1.00 31.37 O HETATM 4596 O HOH C 365 -20.550 29.600 27.236 1.00 24.92 O HETATM 4597 O HOH C 367 -23.262 26.204 29.681 1.00 35.45 O HETATM 4598 O HOH C 368 -35.990 33.061 4.364 1.00 31.32 O HETATM 4599 O HOH C 370 -27.604 28.252 32.710 1.00 40.01 O HETATM 4600 O HOH C 376 -39.035 34.746 25.848 1.00 45.30 O HETATM 4601 O HOH C 382 -29.996 28.143 1.586 1.00 28.42 O HETATM 4602 O HOH C 388 -26.770 40.877 19.886 1.00 39.43 O HETATM 4603 O HOH C 391 -37.577 26.306 32.320 1.00 40.55 O HETATM 4604 O HOH C 396 -32.058 35.800 33.397 1.00 37.28 O HETATM 4605 O HOH C 398 -33.327 38.332 27.636 1.00 37.51 O HETATM 4606 O HOH C 399 -13.756 36.069 20.480 1.00 36.56 O HETATM 4607 O HOH C 401 -42.905 25.925 20.898 1.00 32.66 O HETATM 4608 O HOH C 403 -7.978 21.530 29.669 1.00 39.14 O HETATM 4609 O HOH C 406 -17.074 38.930 20.271 1.00 35.17 O HETATM 4610 O HOH C 408 -28.645 11.396 13.876 1.00 28.96 O HETATM 4611 O HOH C 415 -29.790 39.790 30.934 1.00 33.19 O HETATM 4612 O HOH C 417 -37.502 14.545 18.835 1.00 40.20 O HETATM 4613 O HOH C 419 -36.285 27.075 -5.383 1.00 30.24 O HETATM 4614 O HOH C 420 -14.379 6.414 3.007 1.00 33.03 O HETATM 4615 O HOH C 427 -26.878 28.644 29.076 1.00 27.47 O HETATM 4616 O HOH C 429 -29.781 40.299 15.265 1.00 32.42 O HETATM 4617 O HOH C 430 -5.668 29.949 18.365 1.00 26.11 O HETATM 4618 O HOH C 431 -37.654 30.378 0.720 1.00 38.15 O HETATM 4619 O HOH C 434 -19.508 38.330 24.711 1.00 39.50 O HETATM 4620 O HOH C 439 -1.958 12.260 24.544 1.00 42.10 O HETATM 4621 O HOH C 440 -10.197 21.433 31.189 1.00 46.18 O HETATM 4622 O HOH C 446 -26.807 25.050 32.101 1.00 36.44 O HETATM 4623 O HOH C 448 -41.697 17.213 2.202 1.00 31.21 O HETATM 4624 O HOH C 450 -33.209 40.355 18.205 1.00 40.98 O HETATM 4625 O HOH C 460 -34.220 21.702 -4.754 1.00 29.29 O HETATM 4626 O HOH C 462 -29.878 18.685 23.672 1.00 12.55 O HETATM 4627 O HOH C 463 -31.723 19.258 21.117 1.00 13.72 O HETATM 4628 O HOH C 466 -32.339 16.002 18.352 1.00 18.24 O HETATM 4629 O HOH C 467 -34.586 14.676 17.943 1.00 23.45 O HETATM 4630 O HOH C 468 -35.393 16.479 15.821 1.00 14.53 O HETATM 4631 O HOH C 469 -36.256 14.182 14.547 1.00 30.51 O HETATM 4632 O HOH C 470 -37.283 18.463 15.849 1.00 20.60 O HETATM 4633 O HOH C 512 -8.094 16.140 22.841 1.00 39.09 O HETATM 4634 O HOH C 513 -5.767 15.949 21.070 1.00 33.64 O HETATM 4635 O HOH C 524 -24.986 16.768 -0.162 1.00 43.69 O HETATM 4636 O HOH C 525 -25.540 14.276 0.553 1.00 43.09 O HETATM 4637 O HOH C 532 -36.737 25.950 -7.958 1.00 34.08 O HETATM 4638 O HOH C 533 -1.825 20.365 25.360 1.00 35.27 O HETATM 4639 O HOH C 534 -10.777 27.233 27.760 1.00 38.85 O HETATM 4640 O HOH C 544 -25.063 12.594 6.494 1.00 35.98 O HETATM 4641 O HOH C 545 -37.044 28.729 -1.769 1.00 38.29 O HETATM 4642 O HOH D 108 22.704 26.455 20.250 1.00 10.76 O HETATM 4643 O HOH D 109 25.246 40.612 31.937 1.00 38.89 O HETATM 4644 O HOH D 110 -3.270 24.500 11.197 1.00 16.27 O HETATM 4645 O HOH D 111 14.409 38.641 9.424 1.00 20.05 O HETATM 4646 O HOH D 112 20.784 27.205 18.458 1.00 10.94 O HETATM 4647 O HOH D 113 19.261 44.922 18.047 1.00 21.41 O HETATM 4648 O HOH D 114 12.099 17.490 14.086 1.00 18.14 O HETATM 4649 O HOH D 115 24.437 37.285 44.867 1.00 17.67 O HETATM 4650 O HOH D 116 23.515 40.205 26.347 1.00 15.82 O HETATM 4651 O HOH D 117 27.452 27.829 19.845 1.00 16.17 O HETATM 4652 O HOH D 118 29.894 25.414 28.924 1.00 42.34 O HETATM 4653 O HOH D 119 16.060 15.174 6.705 1.00 31.39 O HETATM 4654 O HOH D 120 2.767 25.035 16.805 1.00 18.46 O HETATM 4655 O HOH D 121 10.842 21.505 30.199 1.00 21.08 O HETATM 4656 O HOH D 122 13.924 31.525 31.516 1.00 23.84 O HETATM 4657 O HOH D 123 1.416 32.199 22.895 1.00 42.30 O HETATM 4658 O HOH D 124 28.158 37.617 30.245 1.00 40.98 O HETATM 4659 O HOH D 125 9.209 16.886 27.840 1.00 24.96 O HETATM 4660 O HOH D 126 -4.464 32.876 10.874 1.00 50.04 O HETATM 4661 O HOH D 127 27.584 25.850 21.560 1.00 16.86 O HETATM 4662 O HOH D 128 8.251 37.271 33.367 1.00 39.54 O HETATM 4663 O HOH D 129 8.394 45.003 29.020 1.00 24.61 O HETATM 4664 O HOH D 130 18.340 40.525 8.538 1.00 43.36 O HETATM 4665 O HOH D 131 18.324 40.348 39.962 1.00 22.98 O HETATM 4666 O HOH D 132 0.407 26.480 16.221 1.00 22.73 O HETATM 4667 O HOH D 133 8.498 35.704 31.170 1.00 36.30 O HETATM 4668 O HOH D 134 2.669 31.445 20.835 1.00 21.98 O HETATM 4669 O HOH D 135 -1.004 29.949 15.102 1.00 29.13 O HETATM 4670 O HOH D 136 1.339 33.367 12.925 1.00 32.72 O HETATM 4671 O HOH D 137 -1.577 29.194 7.821 1.00 29.41 O HETATM 4672 O HOH D 138 13.083 24.265 10.172 1.00 19.79 O HETATM 4673 O HOH D 139 0.366 26.297 20.257 1.00 27.95 O HETATM 4674 O HOH D 140 24.586 42.641 34.782 1.00 22.82 O HETATM 4675 O HOH D 141 6.133 30.613 2.057 1.00 20.63 O HETATM 4676 O HOH D 142 13.381 28.615 30.151 1.00 30.74 O HETATM 4677 O HOH D 143 19.054 29.749 38.162 1.00 52.36 O HETATM 4678 O HOH D 145 27.500 30.655 17.984 1.00 30.73 O HETATM 4679 O HOH D 146 2.891 38.509 21.488 1.00 32.96 O HETATM 4680 O HOH D 151 18.157 43.163 24.161 1.00 15.31 O HETATM 4681 O HOH D 157 6.563 43.445 27.806 1.00 29.46 O HETATM 4682 O HOH D 177 11.506 31.788 31.550 1.00 36.59 O HETATM 4683 O HOH D 181 7.735 42.670 21.761 1.00 23.04 O HETATM 4684 O HOH D 182 -2.827 26.556 9.204 1.00 28.55 O HETATM 4685 O HOH D 183 11.996 37.229 38.839 1.00 43.70 O HETATM 4686 O HOH D 186 12.546 45.582 16.956 1.00 61.83 O HETATM 4687 O HOH D 192 0.537 34.894 19.647 1.00 36.81 O HETATM 4688 O HOH D 194 12.079 40.214 8.773 1.00 29.00 O HETATM 4689 O HOH D 200 4.824 17.096 15.089 1.00 33.91 O HETATM 4690 O HOH D 205 13.982 17.816 7.342 1.00 38.76 O HETATM 4691 O HOH D 206 30.409 32.390 20.750 1.00 48.27 O HETATM 4692 O HOH D 211 6.707 17.873 18.262 1.00 40.37 O HETATM 4693 O HOH D 212 28.094 38.739 25.835 1.00 28.42 O HETATM 4694 O HOH D 223 3.531 24.927 12.549 1.00 14.11 O HETATM 4695 O HOH D 229 22.748 25.122 33.320 1.00 15.90 O HETATM 4696 O HOH D 234 25.437 24.465 21.609 1.00 15.27 O HETATM 4697 O HOH D 238 17.006 43.590 35.663 1.00 17.84 O HETATM 4698 O HOH D 244 29.215 27.000 24.996 1.00 23.69 O HETATM 4699 O HOH D 245 25.244 22.996 30.827 1.00 16.92 O HETATM 4700 O HOH D 248 16.093 12.992 12.958 1.00 19.27 O HETATM 4701 O HOH D 252 26.860 22.765 34.747 1.00 21.15 O HETATM 4702 O HOH D 255 15.445 31.855 29.405 1.00 15.95 O HETATM 4703 O HOH D 263 22.094 40.117 18.110 1.00 23.08 O HETATM 4704 O HOH D 273 15.789 40.943 10.168 1.00 26.18 O HETATM 4705 O HOH D 277 10.598 17.123 11.019 1.00 32.72 O HETATM 4706 O HOH D 284 6.516 38.757 28.341 1.00 22.61 O HETATM 4707 O HOH D 285 12.057 19.582 11.323 1.00 21.19 O HETATM 4708 O HOH D 289 2.286 22.279 9.283 1.00 20.61 O HETATM 4709 O HOH D 292 21.198 43.114 16.540 1.00 33.28 O HETATM 4710 O HOH D 293 0.826 30.260 18.678 1.00 31.31 O HETATM 4711 O HOH D 296 11.218 13.736 15.352 1.00 20.54 O HETATM 4712 O HOH D 298 5.299 32.964 3.551 1.00 34.50 O HETATM 4713 O HOH D 300 25.432 24.607 33.021 1.00 21.42 O HETATM 4714 O HOH D 303 11.366 14.507 11.818 1.00 40.03 O HETATM 4715 O HOH D 308 30.759 32.351 34.039 1.00 32.54 O HETATM 4716 O HOH D 320 32.938 19.886 26.737 1.00 33.38 O HETATM 4717 O HOH D 327 0.183 30.461 21.401 1.00 35.71 O HETATM 4718 O HOH D 331 5.649 19.521 16.439 1.00 28.10 O HETATM 4719 O HOH D 337 21.850 25.520 35.920 1.00 25.44 O HETATM 4720 O HOH D 343 1.542 34.027 15.535 1.00 28.99 O HETATM 4721 O HOH D 344 25.669 40.176 29.626 1.00 22.92 O HETATM 4722 O HOH D 347 30.236 21.447 27.782 1.00 40.17 O HETATM 4723 O HOH D 366 8.539 44.303 37.662 1.00 37.01 O HETATM 4724 O HOH D 369 19.099 14.845 7.044 1.00 47.29 O HETATM 4725 O HOH D 372 13.175 31.182 36.198 1.00 33.93 O HETATM 4726 O HOH D 378 14.584 24.112 7.389 1.00 41.85 O HETATM 4727 O HOH D 380 26.409 38.128 18.434 1.00 31.30 O HETATM 4728 O HOH D 381 31.603 27.710 22.638 1.00 43.68 O HETATM 4729 O HOH D 393 4.272 23.642 8.772 1.00 24.43 O HETATM 4730 O HOH D 394 14.901 44.106 16.316 1.00 34.86 O HETATM 4731 O HOH D 397 1.218 32.098 6.523 1.00 32.14 O HETATM 4732 O HOH D 412 25.355 36.316 31.690 1.00 13.14 O HETATM 4733 O HOH D 413 27.346 37.541 38.325 1.00 28.35 O HETATM 4734 O HOH D 421 22.557 22.580 35.738 1.00 31.70 O HETATM 4735 O HOH D 423 15.403 43.326 13.814 1.00 26.59 O HETATM 4736 O HOH D 425 10.930 22.277 10.068 1.00 25.68 O HETATM 4737 O HOH D 433 29.560 29.320 23.388 1.00 29.02 O HETATM 4738 O HOH D 435 3.381 20.661 16.173 1.00 28.74 O HETATM 4739 O HOH D 437 28.458 41.044 33.258 1.00 35.48 O HETATM 4740 O HOH D 445 15.745 37.518 7.443 1.00 31.52 O HETATM 4741 O HOH D 447 24.603 28.603 38.561 1.00 37.28 O HETATM 4742 O HOH D 472 22.165 30.801 13.651 1.00 16.50 O HETATM 4743 O HOH D 473 21.947 32.683 16.279 1.00 15.01 O HETATM 4744 O HOH D 475 24.980 33.224 19.093 1.00 22.50 O HETATM 4745 O HOH D 476 24.557 36.190 21.527 1.00 18.80 O HETATM 4746 O HOH D 477 24.287 39.465 19.460 1.00 26.52 O HETATM 4747 O HOH D 478 22.681 38.266 21.467 1.00 17.45 O HETATM 4748 O HOH D 479 23.854 39.624 23.628 1.00 22.67 O HETATM 4749 O HOH D 480 26.318 35.302 19.499 1.00 27.43 O HETATM 4750 O HOH D 489 28.291 25.734 30.670 1.00 29.82 O HETATM 4751 O HOH D 490 26.916 29.730 36.358 1.00 31.64 O HETATM 4752 O HOH D 491 29.689 31.946 37.792 1.00 35.05 O HETATM 4753 O HOH D 492 26.254 31.256 39.873 1.00 19.33 O HETATM 4754 O HOH D 493 27.667 33.308 41.198 1.00 14.96 O HETATM 4755 O HOH D 494 26.470 39.877 40.181 1.00 42.85 O HETATM 4756 O HOH D 499 15.847 27.603 35.514 1.00 50.92 O HETATM 4757 O HOH D 500 17.907 28.553 36.072 1.00 44.22 O HETATM 4758 O HOH D 506 18.293 33.171 7.752 1.00 40.82 O HETATM 4759 O HOH D 515 1.591 20.585 12.118 1.00 42.44 O HETATM 4760 O HOH D 516 2.513 22.487 15.391 1.00 37.26 O HETATM 4761 O HOH D 538 -0.016 31.864 16.866 1.00 38.33 O HETATM 4762 O HOH D 539 7.847 35.411 4.745 1.00 40.64 O HETATM 4763 O HOH D 540 8.526 40.962 14.013 1.00 33.75 O HETATM 4764 O HOH D 541 6.023 41.129 16.676 1.00 39.85 O HETATM 4765 O HOH D 543 6.812 41.779 19.436 1.00 41.81 O HETATM 4766 O HOH D 547 1.165 37.348 19.598 1.00 40.50 O HETATM 4767 O HOH D 548 15.134 38.192 4.973 1.00 38.74 O HETATM 4768 O HOH D 549 19.192 45.759 15.320 1.00 41.17 O HETATM 4769 O HOH D 550 32.646 21.250 28.827 1.00 33.77 O HETATM 4770 O HOH D 551 35.537 20.424 27.464 1.00 41.98 O CONECT 4181 4182 CONECT 4182 4181 4183 4187 CONECT 4183 4182 4184 CONECT 4184 4183 4185 4186 CONECT 4185 4184 CONECT 4186 4184 4187 CONECT 4187 4182 4186 4188 CONECT 4188 4187 4189 CONECT 4189 4188 4190 4191 CONECT 4190 4189 CONECT 4191 4189 CONECT 4192 4193 CONECT 4193 4192 4194 4198 CONECT 4194 4193 4195 CONECT 4195 4194 4196 4197 CONECT 4196 4195 CONECT 4197 4195 4198 CONECT 4198 4193 4197 4199 CONECT 4199 4198 4200 CONECT 4200 4199 4201 4202 CONECT 4201 4200 CONECT 4202 4200 CONECT 4203 4204 CONECT 4204 4203 4205 4209 CONECT 4205 4204 4206 CONECT 4206 4205 4207 4208 CONECT 4207 4206 CONECT 4208 4206 4209 CONECT 4209 4204 4208 4210 CONECT 4210 4209 4211 CONECT 4211 4210 4212 4213 CONECT 4212 4211 CONECT 4213 4211 CONECT 4214 4215 CONECT 4215 4214 4216 4220 CONECT 4216 4215 4217 CONECT 4217 4216 4218 4219 CONECT 4218 4217 CONECT 4219 4217 4220 CONECT 4220 4215 4219 4221 CONECT 4221 4220 4222 CONECT 4222 4221 4223 4224 CONECT 4223 4222 CONECT 4224 4222 END